USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 880 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 89 THR OG1 : rot -107:sc= 0.0266 USER MOD Set 1.2: A 91 ASN : amide:sc= 0.026 X(o=0.053,f=0) USER MOD Set 2.1: A 11 CYS SG : rot 162:sc= 0.239 USER MOD Set 2.2: A 87 TYR OH : rot 180:sc= 0.222 USER MOD Set 3.1: A 6 ASN : amide:sc=0.000416 X(o=0.00042,f=-0.13) USER MOD Set 3.2: A 36 THR OG1 : rot 131:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -126:sc= -0.625 (180deg=-2.42!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -116:sc= -1.5 (180deg=-3.17!) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= -0.148 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 170:sc= -0.0335 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc=-0.000408 X(o=-0.00041,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.0467 X(o=-0.047,f=-0.047) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.017 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -53:sc= -0.46 USER MOD Single : A 64 ASN :FLIP amide:sc= 1.08 F(o=-0.69,f=1.1) USER MOD Single : A 65 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.181) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -85:sc= -0.0497 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0246) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0359 USER MOD Single : A 90 MET CE :methyl -163:sc= -0.2 (180deg=-0.907) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.12) USER MOD Single : A 101 ASN : amide:sc= -0.106 K(o=-0.11,f=-1.9!) USER MOD Single : A 104 ASN : amide:sc= -1.55 K(o=-1.5,f=-5.7!) USER MOD Single : A 105 ASN : amide:sc= -0.12 X(o=-0.12,f=-0.49) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= -0.0913 USER MOD Single : A 108 SER OG : rot 124:sc=0.000343 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.885 -19.563 -2.775 1.00 64.33 N ATOM 2 CA GLY A 1 13.359 -18.459 -3.590 1.00 12.42 C ATOM 3 C GLY A 1 12.229 -17.720 -4.279 1.00 35.51 C ATOM 4 O GLY A 1 11.899 -16.586 -3.934 1.00 42.25 O ATOM 0 H1 GLY A 1 13.253 -19.463 -1.807 1.00 64.33 H new ATOM 0 H2 GLY A 1 11.845 -19.557 -2.753 1.00 64.33 H new ATOM 0 H3 GLY A 1 13.217 -20.461 -3.180 1.00 64.33 H new ATOM 0 HA2 GLY A 1 13.916 -17.762 -2.964 1.00 12.42 H new ATOM 0 HA3 GLY A 1 14.053 -18.837 -4.341 1.00 12.42 H new ATOM 8 N PRO A 2 11.616 -18.370 -5.279 1.00 62.24 N ATOM 9 CA PRO A 2 10.507 -17.787 -6.040 1.00 43.44 C ATOM 10 C PRO A 2 9.234 -17.664 -5.210 1.00 4.35 C ATOM 11 O PRO A 2 8.635 -18.666 -4.822 1.00 61.23 O ATOM 12 CB PRO A 2 10.304 -18.779 -7.187 1.00 73.53 C ATOM 13 CG PRO A 2 10.820 -20.075 -6.664 1.00 33.31 C ATOM 14 CD PRO A 2 11.957 -19.725 -5.744 1.00 20.33 C ATOM 0 HA PRO A 2 10.729 -16.772 -6.370 1.00 43.44 H new ATOM 0 HB2 PRO A 2 9.252 -18.854 -7.463 1.00 73.53 H new ATOM 0 HB3 PRO A 2 10.847 -18.468 -8.080 1.00 73.53 H new ATOM 0 HG2 PRO A 2 10.040 -20.620 -6.132 1.00 33.31 H new ATOM 0 HG3 PRO A 2 11.159 -20.717 -7.477 1.00 33.31 H new ATOM 0 HD2 PRO A 2 12.033 -20.427 -4.914 1.00 20.33 H new ATOM 0 HD3 PRO A 2 12.915 -19.742 -6.264 1.00 20.33 H new ATOM 22 N GLY A 3 8.827 -16.427 -4.940 1.00 11.11 N ATOM 23 CA GLY A 3 7.627 -16.196 -4.156 1.00 63.34 C ATOM 24 C GLY A 3 7.746 -14.981 -3.258 1.00 50.20 C ATOM 25 O GLY A 3 7.924 -15.111 -2.047 1.00 61.12 O ATOM 0 H GLY A 3 9.306 -15.582 -5.250 1.00 11.11 H new ATOM 0 HA2 GLY A 3 6.778 -16.066 -4.827 1.00 63.34 H new ATOM 0 HA3 GLY A 3 7.420 -17.076 -3.546 1.00 63.34 H new ATOM 29 N SER A 4 7.648 -13.796 -3.852 1.00 44.24 N ATOM 30 CA SER A 4 7.752 -12.552 -3.099 1.00 62.50 C ATOM 31 C SER A 4 6.581 -11.627 -3.415 1.00 45.41 C ATOM 32 O SER A 4 6.153 -11.520 -4.564 1.00 63.14 O ATOM 33 CB SER A 4 9.073 -11.848 -3.414 1.00 63.31 C ATOM 34 OG SER A 4 9.576 -12.249 -4.678 1.00 1.13 O ATOM 0 H SER A 4 7.497 -13.671 -4.853 1.00 44.24 H new ATOM 0 HA SER A 4 7.724 -12.796 -2.037 1.00 62.50 H new ATOM 0 HB2 SER A 4 8.925 -10.768 -3.404 1.00 63.31 H new ATOM 0 HB3 SER A 4 9.804 -12.076 -2.639 1.00 63.31 H new ATOM 0 HG SER A 4 10.420 -11.784 -4.857 1.00 1.13 H new ATOM 40 N MET A 5 6.069 -10.957 -2.388 1.00 24.42 N ATOM 41 CA MET A 5 4.949 -10.040 -2.556 1.00 2.41 C ATOM 42 C MET A 5 5.440 -8.601 -2.685 1.00 50.42 C ATOM 43 O MET A 5 6.371 -8.189 -1.995 1.00 3.30 O ATOM 44 CB MET A 5 3.985 -10.157 -1.374 1.00 15.30 C ATOM 45 CG MET A 5 2.550 -9.793 -1.722 1.00 71.14 C ATOM 46 SD MET A 5 1.459 -9.815 -0.287 1.00 11.40 S ATOM 47 CE MET A 5 1.709 -8.161 0.353 1.00 2.20 C ATOM 0 H MET A 5 6.412 -11.032 -1.430 1.00 24.42 H new ATOM 0 HA MET A 5 4.424 -10.311 -3.472 1.00 2.41 H new ATOM 0 HB2 MET A 5 4.010 -11.179 -0.995 1.00 15.30 H new ATOM 0 HB3 MET A 5 4.330 -9.509 -0.568 1.00 15.30 H new ATOM 0 HG2 MET A 5 2.530 -8.801 -2.173 1.00 71.14 H new ATOM 0 HG3 MET A 5 2.174 -10.491 -2.470 1.00 71.14 H new ATOM 0 HE1 MET A 5 2.166 -8.218 1.341 1.00 2.20 H new ATOM 0 HE2 MET A 5 2.365 -7.606 -0.318 1.00 2.20 H new ATOM 0 HE3 MET A 5 0.749 -7.650 0.426 1.00 2.20 H new ATOM 57 N ASN A 6 4.807 -7.842 -3.575 1.00 25.31 N ATOM 58 CA ASN A 6 5.181 -6.450 -3.795 1.00 35.03 C ATOM 59 C ASN A 6 4.051 -5.511 -3.382 1.00 30.40 C ATOM 60 O ASN A 6 2.943 -5.586 -3.915 1.00 21.23 O ATOM 61 CB ASN A 6 5.537 -6.222 -5.265 1.00 72.43 C ATOM 62 CG ASN A 6 6.417 -7.322 -5.824 1.00 63.30 C ATOM 63 OD1 ASN A 6 7.595 -7.428 -5.478 1.00 54.45 O ATOM 64 ND2 ASN A 6 5.850 -8.150 -6.694 1.00 71.54 N ATOM 0 H ASN A 6 4.034 -8.168 -4.155 1.00 25.31 H new ATOM 0 HA ASN A 6 6.054 -6.233 -3.179 1.00 35.03 H new ATOM 0 HB2 ASN A 6 4.621 -6.160 -5.852 1.00 72.43 H new ATOM 0 HB3 ASN A 6 6.047 -5.264 -5.368 1.00 72.43 H new ATOM 0 HD21 ASN A 6 6.393 -8.910 -7.103 1.00 71.54 H new ATOM 0 HD22 ASN A 6 4.871 -8.026 -6.953 1.00 71.54 H new ATOM 71 N ILE A 7 4.339 -4.629 -2.432 1.00 32.43 N ATOM 72 CA ILE A 7 3.348 -3.677 -1.949 1.00 13.55 C ATOM 73 C ILE A 7 3.630 -2.275 -2.479 1.00 4.11 C ATOM 74 O ILE A 7 4.782 -1.840 -2.535 1.00 54.00 O ATOM 75 CB ILE A 7 3.311 -3.633 -0.409 1.00 54.34 C ATOM 76 CG1 ILE A 7 2.988 -5.018 0.154 1.00 71.31 C ATOM 77 CG2 ILE A 7 2.291 -2.611 0.067 1.00 54.54 C ATOM 78 CD1 ILE A 7 4.177 -5.704 0.789 1.00 71.10 C ATOM 0 H ILE A 7 5.251 -4.554 -1.981 1.00 32.43 H new ATOM 0 HA ILE A 7 2.380 -4.016 -2.318 1.00 13.55 H new ATOM 0 HB ILE A 7 4.294 -3.333 -0.045 1.00 54.34 H new ATOM 0 HG12 ILE A 7 2.194 -4.924 0.895 1.00 71.31 H new ATOM 0 HG13 ILE A 7 2.602 -5.647 -0.648 1.00 71.31 H new ATOM 0 HG21 ILE A 7 2.277 -2.592 1.157 1.00 54.54 H new ATOM 0 HG22 ILE A 7 2.561 -1.625 -0.310 1.00 54.54 H new ATOM 0 HG23 ILE A 7 1.303 -2.883 -0.304 1.00 54.54 H new ATOM 0 HD11 ILE A 7 3.875 -6.681 1.166 1.00 71.10 H new ATOM 0 HD12 ILE A 7 4.964 -5.830 0.046 1.00 71.10 H new ATOM 0 HD13 ILE A 7 4.550 -5.096 1.613 1.00 71.10 H new ATOM 90 N LEU A 8 2.572 -1.571 -2.866 1.00 41.23 N ATOM 91 CA LEU A 8 2.705 -0.216 -3.390 1.00 41.21 C ATOM 92 C LEU A 8 1.970 0.786 -2.504 1.00 72.34 C ATOM 93 O LEU A 8 0.818 0.569 -2.127 1.00 31.01 O ATOM 94 CB LEU A 8 2.162 -0.144 -4.818 1.00 73.44 C ATOM 95 CG LEU A 8 2.669 1.018 -5.673 1.00 34.11 C ATOM 96 CD1 LEU A 8 2.132 2.340 -5.146 1.00 42.13 C ATOM 97 CD2 LEU A 8 4.189 1.032 -5.705 1.00 63.23 C ATOM 0 H LEU A 8 1.613 -1.916 -2.827 1.00 41.23 H new ATOM 0 HA LEU A 8 3.764 0.041 -3.397 1.00 41.21 H new ATOM 0 HB2 LEU A 8 2.408 -1.076 -5.326 1.00 73.44 H new ATOM 0 HB3 LEU A 8 1.075 -0.085 -4.769 1.00 73.44 H new ATOM 0 HG LEU A 8 2.306 0.882 -6.692 1.00 34.11 H new ATOM 0 HD11 LEU A 8 2.503 3.156 -5.766 1.00 42.13 H new ATOM 0 HD12 LEU A 8 1.042 2.328 -5.175 1.00 42.13 H new ATOM 0 HD13 LEU A 8 2.466 2.485 -4.118 1.00 42.13 H new ATOM 0 HD21 LEU A 8 4.532 1.865 -6.318 1.00 63.23 H new ATOM 0 HD22 LEU A 8 4.573 1.145 -4.691 1.00 63.23 H new ATOM 0 HD23 LEU A 8 4.553 0.096 -6.129 1.00 63.23 H new ATOM 109 N LEU A 9 2.643 1.883 -2.177 1.00 43.00 N ATOM 110 CA LEU A 9 2.054 2.920 -1.337 1.00 71.13 C ATOM 111 C LEU A 9 2.033 4.262 -2.063 1.00 21.32 C ATOM 112 O LEU A 9 3.012 4.650 -2.700 1.00 14.34 O ATOM 113 CB LEU A 9 2.834 3.048 -0.027 1.00 72.53 C ATOM 114 CG LEU A 9 2.078 3.673 1.145 1.00 3.01 C ATOM 115 CD1 LEU A 9 2.287 2.855 2.411 1.00 54.32 C ATOM 116 CD2 LEU A 9 2.521 5.113 1.360 1.00 42.14 C ATOM 0 H LEU A 9 3.597 2.078 -2.481 1.00 43.00 H new ATOM 0 HA LEU A 9 1.027 2.632 -1.114 1.00 71.13 H new ATOM 0 HB2 LEU A 9 3.170 2.055 0.271 1.00 72.53 H new ATOM 0 HB3 LEU A 9 3.727 3.643 -0.216 1.00 72.53 H new ATOM 0 HG LEU A 9 1.014 3.673 0.907 1.00 3.01 H new ATOM 0 HD11 LEU A 9 1.742 3.315 3.235 1.00 54.32 H new ATOM 0 HD12 LEU A 9 1.920 1.841 2.254 1.00 54.32 H new ATOM 0 HD13 LEU A 9 3.349 2.823 2.652 1.00 54.32 H new ATOM 0 HD21 LEU A 9 1.972 5.541 2.198 1.00 42.14 H new ATOM 0 HD22 LEU A 9 3.589 5.137 1.576 1.00 42.14 H new ATOM 0 HD23 LEU A 9 2.320 5.694 0.460 1.00 42.14 H new ATOM 128 N VAL A 10 0.911 4.967 -1.960 1.00 34.50 N ATOM 129 CA VAL A 10 0.763 6.267 -2.603 1.00 71.31 C ATOM 130 C VAL A 10 0.683 7.385 -1.570 1.00 42.02 C ATOM 131 O VAL A 10 -0.120 7.328 -0.638 1.00 60.14 O ATOM 132 CB VAL A 10 -0.495 6.313 -3.492 1.00 3.43 C ATOM 133 CG1 VAL A 10 -0.534 7.606 -4.293 1.00 43.02 C ATOM 134 CG2 VAL A 10 -0.540 5.104 -4.413 1.00 15.00 C ATOM 0 H VAL A 10 0.091 4.659 -1.437 1.00 34.50 H new ATOM 0 HA VAL A 10 1.645 6.415 -3.226 1.00 71.31 H new ATOM 0 HB VAL A 10 -1.375 6.284 -2.850 1.00 3.43 H new ATOM 0 HG11 VAL A 10 -1.429 7.622 -4.915 1.00 43.02 H new ATOM 0 HG12 VAL A 10 -0.551 8.456 -3.611 1.00 43.02 H new ATOM 0 HG13 VAL A 10 0.350 7.668 -4.927 1.00 43.02 H new ATOM 0 HG21 VAL A 10 -1.435 5.153 -5.034 1.00 15.00 H new ATOM 0 HG22 VAL A 10 0.344 5.099 -5.051 1.00 15.00 H new ATOM 0 HG23 VAL A 10 -0.562 4.192 -3.816 1.00 15.00 H new ATOM 144 N CYS A 11 1.521 8.402 -1.742 1.00 14.00 N ATOM 145 CA CYS A 11 1.546 9.535 -0.824 1.00 32.13 C ATOM 146 C CYS A 11 2.544 10.590 -1.290 1.00 14.42 C ATOM 147 O CYS A 11 2.158 11.673 -1.730 1.00 62.11 O ATOM 148 CB CYS A 11 1.902 9.067 0.588 1.00 65.35 C ATOM 149 SG CYS A 11 2.130 10.411 1.776 1.00 63.42 S ATOM 0 H CYS A 11 2.191 8.465 -2.508 1.00 14.00 H new ATOM 0 HA CYS A 11 0.552 9.982 -0.810 1.00 32.13 H new ATOM 0 HB2 CYS A 11 1.114 8.407 0.950 1.00 65.35 H new ATOM 0 HB3 CYS A 11 2.817 8.477 0.544 1.00 65.35 H new ATOM 0 HG CYS A 11 2.036 9.942 2.985 1.00 63.42 H new ATOM 155 N GLY A 12 3.830 10.268 -1.188 1.00 72.42 N ATOM 156 CA GLY A 12 4.863 11.199 -1.602 1.00 12.11 C ATOM 157 C GLY A 12 6.082 11.149 -0.702 1.00 44.12 C ATOM 158 O GLY A 12 6.944 10.285 -0.861 1.00 72.51 O ATOM 0 H GLY A 12 4.175 9.379 -0.826 1.00 72.42 H new ATOM 0 HA2 GLY A 12 5.162 10.974 -2.626 1.00 12.11 H new ATOM 0 HA3 GLY A 12 4.457 12.211 -1.603 1.00 12.11 H new ATOM 162 N ALA A 13 6.156 12.079 0.244 1.00 31.45 N ATOM 163 CA ALA A 13 7.278 12.136 1.173 1.00 43.15 C ATOM 164 C ALA A 13 8.607 12.172 0.426 1.00 11.13 C ATOM 165 O ALA A 13 9.599 11.603 0.878 1.00 24.31 O ATOM 166 CB ALA A 13 7.237 10.950 2.125 1.00 2.14 C ATOM 0 H ALA A 13 5.452 12.803 0.387 1.00 31.45 H new ATOM 0 HA ALA A 13 7.191 13.055 1.753 1.00 43.15 H new ATOM 0 HB1 ALA A 13 8.081 11.006 2.813 1.00 2.14 H new ATOM 0 HB2 ALA A 13 6.306 10.970 2.691 1.00 2.14 H new ATOM 0 HB3 ALA A 13 7.295 10.023 1.554 1.00 2.14 H new ATOM 172 N GLY A 14 8.618 12.843 -0.721 1.00 41.02 N ATOM 173 CA GLY A 14 9.830 12.939 -1.513 1.00 42.23 C ATOM 174 C GLY A 14 9.851 11.954 -2.664 1.00 70.24 C ATOM 175 O GLY A 14 9.154 12.140 -3.662 1.00 3.11 O ATOM 0 H GLY A 14 7.809 13.322 -1.116 1.00 41.02 H new ATOM 0 HA2 GLY A 14 9.925 13.952 -1.904 1.00 42.23 H new ATOM 0 HA3 GLY A 14 10.694 12.762 -0.872 1.00 42.23 H new ATOM 179 N MET A 15 10.653 10.902 -2.527 1.00 55.24 N ATOM 180 CA MET A 15 10.761 9.885 -3.566 1.00 31.32 C ATOM 181 C MET A 15 10.931 8.498 -2.952 1.00 61.22 C ATOM 182 O MET A 15 10.270 7.543 -3.360 1.00 24.04 O ATOM 183 CB MET A 15 11.938 10.193 -4.492 1.00 62.21 C ATOM 184 CG MET A 15 11.561 10.223 -5.965 1.00 4.25 C ATOM 185 SD MET A 15 12.298 11.616 -6.841 1.00 41.11 S ATOM 186 CE MET A 15 10.860 12.651 -7.103 1.00 13.22 C ATOM 0 H MET A 15 11.236 10.732 -1.708 1.00 55.24 H new ATOM 0 HA MET A 15 9.839 9.896 -4.148 1.00 31.32 H new ATOM 0 HB2 MET A 15 12.365 11.157 -4.215 1.00 62.21 H new ATOM 0 HB3 MET A 15 12.715 9.444 -4.339 1.00 62.21 H new ATOM 0 HG2 MET A 15 11.879 9.293 -6.437 1.00 4.25 H new ATOM 0 HG3 MET A 15 10.476 10.273 -6.058 1.00 4.25 H new ATOM 0 HE1 MET A 15 11.155 13.555 -7.636 1.00 13.22 H new ATOM 0 HE2 MET A 15 10.122 12.107 -7.693 1.00 13.22 H new ATOM 0 HE3 MET A 15 10.427 12.922 -6.140 1.00 13.22 H new ATOM 196 N SER A 16 11.822 8.396 -1.971 1.00 1.33 N ATOM 197 CA SER A 16 12.082 7.125 -1.303 1.00 42.44 C ATOM 198 C SER A 16 12.499 7.349 0.147 1.00 32.34 C ATOM 199 O SER A 16 12.714 8.483 0.576 1.00 22.53 O ATOM 200 CB SER A 16 13.172 6.349 -2.045 1.00 44.33 C ATOM 201 OG SER A 16 12.960 6.386 -3.446 1.00 60.24 O ATOM 0 H SER A 16 12.376 9.178 -1.621 1.00 1.33 H new ATOM 0 HA SER A 16 11.161 6.542 -1.312 1.00 42.44 H new ATOM 0 HB2 SER A 16 14.148 6.773 -1.810 1.00 44.33 H new ATOM 0 HB3 SER A 16 13.183 5.314 -1.703 1.00 44.33 H new ATOM 0 HG SER A 16 13.670 5.884 -3.898 1.00 60.24 H new ATOM 207 N THR A 17 12.610 6.257 0.899 1.00 52.44 N ATOM 208 CA THR A 17 12.999 6.332 2.301 1.00 43.12 C ATOM 209 C THR A 17 11.997 7.152 3.107 1.00 32.31 C ATOM 210 O THR A 17 12.235 8.320 3.409 1.00 44.53 O ATOM 211 CB THR A 17 14.399 6.952 2.464 1.00 43.23 C ATOM 212 OG1 THR A 17 15.351 6.225 1.678 1.00 12.12 O ATOM 213 CG2 THR A 17 14.828 6.947 3.923 1.00 1.42 C ATOM 0 H THR A 17 12.436 5.311 0.560 1.00 52.44 H new ATOM 0 HA THR A 17 13.016 5.310 2.678 1.00 43.12 H new ATOM 0 HB THR A 17 14.357 7.985 2.119 1.00 43.23 H new ATOM 0 HG1 THR A 17 16.239 6.626 1.786 1.00 12.12 H new ATOM 0 HG21 THR A 17 15.820 7.390 4.012 1.00 1.42 H new ATOM 0 HG22 THR A 17 14.118 7.526 4.513 1.00 1.42 H new ATOM 0 HG23 THR A 17 14.854 5.921 4.291 1.00 1.42 H new ATOM 221 N SER A 18 10.874 6.529 3.453 1.00 13.54 N ATOM 222 CA SER A 18 9.833 7.203 4.222 1.00 1.03 C ATOM 223 C SER A 18 9.638 6.529 5.576 1.00 21.04 C ATOM 224 O SER A 18 10.097 5.409 5.797 1.00 30.05 O ATOM 225 CB SER A 18 8.516 7.204 3.445 1.00 22.13 C ATOM 226 OG SER A 18 8.609 8.009 2.283 1.00 63.24 O ATOM 0 H SER A 18 10.662 5.560 3.214 1.00 13.54 H new ATOM 0 HA SER A 18 10.147 8.233 4.390 1.00 1.03 H new ATOM 0 HB2 SER A 18 8.255 6.184 3.164 1.00 22.13 H new ATOM 0 HB3 SER A 18 7.714 7.574 4.084 1.00 22.13 H new ATOM 0 HG SER A 18 7.818 7.867 1.723 1.00 63.24 H new ATOM 232 N MET A 19 8.952 7.221 6.482 1.00 64.15 N ATOM 233 CA MET A 19 8.694 6.690 7.815 1.00 44.14 C ATOM 234 C MET A 19 7.983 5.343 7.735 1.00 43.23 C ATOM 235 O MET A 19 8.474 4.339 8.253 1.00 33.20 O ATOM 236 CB MET A 19 7.853 7.677 8.625 1.00 14.43 C ATOM 237 CG MET A 19 8.626 8.903 9.084 1.00 71.31 C ATOM 238 SD MET A 19 8.262 10.365 8.095 1.00 52.02 S ATOM 239 CE MET A 19 9.829 10.612 7.266 1.00 41.52 C ATOM 0 H MET A 19 8.565 8.150 6.316 1.00 64.15 H new ATOM 0 HA MET A 19 9.652 6.545 8.314 1.00 44.14 H new ATOM 0 HB2 MET A 19 7.004 7.998 8.022 1.00 14.43 H new ATOM 0 HB3 MET A 19 7.448 7.165 9.498 1.00 14.43 H new ATOM 0 HG2 MET A 19 8.389 9.107 10.128 1.00 71.31 H new ATOM 0 HG3 MET A 19 9.694 8.693 9.035 1.00 71.31 H new ATOM 0 HE1 MET A 19 9.763 11.484 6.615 1.00 41.52 H new ATOM 0 HE2 MET A 19 10.612 10.772 8.008 1.00 41.52 H new ATOM 0 HE3 MET A 19 10.068 9.731 6.670 1.00 41.52 H new ATOM 249 N LEU A 20 6.825 5.328 7.084 1.00 32.13 N ATOM 250 CA LEU A 20 6.046 4.103 6.937 1.00 43.11 C ATOM 251 C LEU A 20 6.905 2.975 6.376 1.00 65.30 C ATOM 252 O LEU A 20 6.956 1.881 6.938 1.00 40.15 O ATOM 253 CB LEU A 20 4.844 4.347 6.022 1.00 51.51 C ATOM 254 CG LEU A 20 3.550 4.776 6.714 1.00 3.41 C ATOM 255 CD1 LEU A 20 2.478 5.101 5.686 1.00 32.23 C ATOM 256 CD2 LEU A 20 3.068 3.690 7.665 1.00 63.14 C ATOM 0 H LEU A 20 6.405 6.150 6.650 1.00 32.13 H new ATOM 0 HA LEU A 20 5.690 3.807 7.924 1.00 43.11 H new ATOM 0 HB2 LEU A 20 5.115 5.113 5.296 1.00 51.51 H new ATOM 0 HB3 LEU A 20 4.647 3.433 5.462 1.00 51.51 H new ATOM 0 HG LEU A 20 3.752 5.676 7.295 1.00 3.41 H new ATOM 0 HD11 LEU A 20 1.564 5.404 6.197 1.00 32.23 H new ATOM 0 HD12 LEU A 20 2.822 5.913 5.045 1.00 32.23 H new ATOM 0 HD13 LEU A 20 2.278 4.219 5.078 1.00 32.23 H new ATOM 0 HD21 LEU A 20 2.146 4.013 8.149 1.00 63.14 H new ATOM 0 HD22 LEU A 20 2.883 2.773 7.106 1.00 63.14 H new ATOM 0 HD23 LEU A 20 3.830 3.505 8.423 1.00 63.14 H new ATOM 268 N VAL A 21 7.583 3.249 5.266 1.00 43.45 N ATOM 269 CA VAL A 21 8.444 2.259 4.631 1.00 24.20 C ATOM 270 C VAL A 21 9.524 1.774 5.591 1.00 71.32 C ATOM 271 O VAL A 21 9.857 0.589 5.618 1.00 53.21 O ATOM 272 CB VAL A 21 9.114 2.827 3.366 1.00 62.31 C ATOM 273 CG1 VAL A 21 10.030 1.789 2.736 1.00 53.24 C ATOM 274 CG2 VAL A 21 8.063 3.297 2.372 1.00 21.31 C ATOM 0 H VAL A 21 7.552 4.149 4.788 1.00 43.45 H new ATOM 0 HA VAL A 21 7.808 1.420 4.350 1.00 24.20 H new ATOM 0 HB VAL A 21 9.721 3.687 3.651 1.00 62.31 H new ATOM 0 HG11 VAL A 21 10.495 2.208 1.843 1.00 53.24 H new ATOM 0 HG12 VAL A 21 10.804 1.506 3.449 1.00 53.24 H new ATOM 0 HG13 VAL A 21 9.449 0.908 2.463 1.00 53.24 H new ATOM 0 HG21 VAL A 21 8.554 3.695 1.484 1.00 21.31 H new ATOM 0 HG22 VAL A 21 7.428 2.457 2.089 1.00 21.31 H new ATOM 0 HG23 VAL A 21 7.452 4.076 2.829 1.00 21.31 H new ATOM 284 N GLN A 22 10.068 2.696 6.378 1.00 15.21 N ATOM 285 CA GLN A 22 11.110 2.362 7.340 1.00 43.24 C ATOM 286 C GLN A 22 10.607 1.344 8.357 1.00 13.15 C ATOM 287 O GLN A 22 11.145 0.243 8.467 1.00 63.44 O ATOM 288 CB GLN A 22 11.594 3.623 8.059 1.00 21.51 C ATOM 289 CG GLN A 22 12.935 4.133 7.556 1.00 21.43 C ATOM 290 CD GLN A 22 13.834 4.615 8.678 1.00 51.03 C ATOM 291 OE1 GLN A 22 13.439 5.455 9.488 1.00 14.31 O ATOM 292 NE2 GLN A 22 15.050 4.086 8.732 1.00 35.24 N ATOM 0 H GLN A 22 9.804 3.681 6.368 1.00 15.21 H new ATOM 0 HA GLN A 22 11.944 1.921 6.794 1.00 43.24 H new ATOM 0 HB2 GLN A 22 10.848 4.408 7.939 1.00 21.51 H new ATOM 0 HB3 GLN A 22 11.671 3.416 9.126 1.00 21.51 H new ATOM 0 HG2 GLN A 22 13.439 3.338 7.008 1.00 21.43 H new ATOM 0 HG3 GLN A 22 12.769 4.949 6.853 1.00 21.43 H new ATOM 0 HE21 GLN A 22 15.336 3.393 8.040 1.00 35.24 H new ATOM 0 HE22 GLN A 22 15.699 4.372 9.465 1.00 35.24 H new ATOM 301 N ARG A 23 9.570 1.720 9.100 1.00 4.20 N ATOM 302 CA ARG A 23 8.994 0.840 10.110 1.00 64.15 C ATOM 303 C ARG A 23 8.640 -0.517 9.510 1.00 40.02 C ATOM 304 O ARG A 23 9.086 -1.557 9.996 1.00 65.12 O ATOM 305 CB ARG A 23 7.748 1.480 10.724 1.00 53.24 C ATOM 306 CG ARG A 23 8.040 2.738 11.524 1.00 62.31 C ATOM 307 CD ARG A 23 6.946 3.017 12.542 1.00 10.52 C ATOM 308 NE ARG A 23 7.484 3.202 13.887 1.00 61.10 N ATOM 309 CZ ARG A 23 8.192 4.265 14.256 1.00 75.32 C ATOM 310 NH1 ARG A 23 8.444 5.231 13.385 1.00 1.04 N ATOM 311 NH2 ARG A 23 8.648 4.361 15.499 1.00 35.40 N ATOM 0 H ARG A 23 9.112 2.628 9.021 1.00 4.20 H new ATOM 0 HA ARG A 23 9.738 0.689 10.892 1.00 64.15 H new ATOM 0 HB2 ARG A 23 7.044 1.722 9.927 1.00 53.24 H new ATOM 0 HB3 ARG A 23 7.259 0.753 11.372 1.00 53.24 H new ATOM 0 HG2 ARG A 23 8.996 2.631 12.036 1.00 62.31 H new ATOM 0 HG3 ARG A 23 8.134 3.587 10.847 1.00 62.31 H new ATOM 0 HD2 ARG A 23 6.395 3.910 12.246 1.00 10.52 H new ATOM 0 HD3 ARG A 23 6.236 2.190 12.546 1.00 10.52 H new ATOM 0 HE ARG A 23 7.307 2.476 14.581 1.00 61.10 H new ATOM 0 HH11 ARG A 23 8.095 5.160 12.429 1.00 1.04 H new ATOM 0 HH12 ARG A 23 8.987 6.046 13.670 1.00 1.04 H new ATOM 0 HH21 ARG A 23 8.455 3.619 16.172 1.00 35.40 H new ATOM 0 HH22 ARG A 23 9.191 5.177 15.781 1.00 35.40 H new ATOM 325 N ILE A 24 7.834 -0.499 8.454 1.00 65.34 N ATOM 326 CA ILE A 24 7.421 -1.728 7.787 1.00 33.23 C ATOM 327 C ILE A 24 8.628 -2.563 7.375 1.00 25.33 C ATOM 328 O ILE A 24 8.682 -3.765 7.634 1.00 32.13 O ATOM 329 CB ILE A 24 6.565 -1.433 6.541 1.00 64.31 C ATOM 330 CG1 ILE A 24 5.326 -0.624 6.927 1.00 40.33 C ATOM 331 CG2 ILE A 24 6.166 -2.730 5.854 1.00 62.00 C ATOM 332 CD1 ILE A 24 4.674 0.079 5.756 1.00 64.12 C ATOM 0 H ILE A 24 7.454 0.353 8.042 1.00 65.34 H new ATOM 0 HA ILE A 24 6.822 -2.289 8.504 1.00 33.23 H new ATOM 0 HB ILE A 24 7.157 -0.842 5.842 1.00 64.31 H new ATOM 0 HG12 ILE A 24 4.598 -1.289 7.392 1.00 40.33 H new ATOM 0 HG13 ILE A 24 5.605 0.117 7.676 1.00 40.33 H new ATOM 0 HG21 ILE A 24 5.561 -2.505 4.975 1.00 62.00 H new ATOM 0 HG22 ILE A 24 7.062 -3.271 5.549 1.00 62.00 H new ATOM 0 HG23 ILE A 24 5.588 -3.345 6.544 1.00 62.00 H new ATOM 0 HD11 ILE A 24 3.802 0.633 6.104 1.00 64.12 H new ATOM 0 HD12 ILE A 24 5.386 0.770 5.304 1.00 64.12 H new ATOM 0 HD13 ILE A 24 4.364 -0.658 5.016 1.00 64.12 H new ATOM 344 N GLU A 25 9.598 -1.917 6.734 1.00 11.12 N ATOM 345 CA GLU A 25 10.806 -2.600 6.288 1.00 73.32 C ATOM 346 C GLU A 25 11.508 -3.284 7.457 1.00 34.34 C ATOM 347 O GLU A 25 12.028 -4.392 7.322 1.00 23.20 O ATOM 348 CB GLU A 25 11.759 -1.611 5.614 1.00 74.42 C ATOM 349 CG GLU A 25 11.435 -1.353 4.151 1.00 33.34 C ATOM 350 CD GLU A 25 12.058 -2.380 3.227 1.00 45.23 C ATOM 351 OE1 GLU A 25 13.251 -2.701 3.415 1.00 61.24 O ATOM 352 OE2 GLU A 25 11.356 -2.862 2.314 1.00 53.03 O ATOM 0 H GLU A 25 9.570 -0.922 6.512 1.00 11.12 H new ATOM 0 HA GLU A 25 10.515 -3.362 5.565 1.00 73.32 H new ATOM 0 HB2 GLU A 25 11.731 -0.666 6.156 1.00 74.42 H new ATOM 0 HB3 GLU A 25 12.778 -1.992 5.690 1.00 74.42 H new ATOM 0 HG2 GLU A 25 10.353 -1.357 4.016 1.00 33.34 H new ATOM 0 HG3 GLU A 25 11.787 -0.359 3.874 1.00 33.34 H new ATOM 359 N LYS A 26 11.519 -2.616 8.605 1.00 34.31 N ATOM 360 CA LYS A 26 12.156 -3.158 9.800 1.00 1.43 C ATOM 361 C LYS A 26 11.434 -4.412 10.281 1.00 62.13 C ATOM 362 O LYS A 26 12.034 -5.481 10.394 1.00 63.10 O ATOM 363 CB LYS A 26 12.173 -2.108 10.914 1.00 74.21 C ATOM 364 CG LYS A 26 13.438 -1.268 10.938 1.00 51.53 C ATOM 365 CD LYS A 26 13.357 -0.170 11.986 1.00 23.21 C ATOM 366 CE LYS A 26 13.411 1.211 11.351 1.00 44.43 C ATOM 367 NZ LYS A 26 12.557 2.190 12.079 1.00 31.54 N ATOM 0 H LYS A 26 11.094 -1.698 8.734 1.00 34.31 H new ATOM 0 HA LYS A 26 13.181 -3.426 9.545 1.00 1.43 H new ATOM 0 HB2 LYS A 26 11.312 -1.450 10.795 1.00 74.21 H new ATOM 0 HB3 LYS A 26 12.061 -2.609 11.876 1.00 74.21 H new ATOM 0 HG2 LYS A 26 14.297 -1.907 11.144 1.00 51.53 H new ATOM 0 HG3 LYS A 26 13.600 -0.824 9.956 1.00 51.53 H new ATOM 0 HD2 LYS A 26 12.432 -0.275 12.554 1.00 23.21 H new ATOM 0 HD3 LYS A 26 14.179 -0.279 12.693 1.00 23.21 H new ATOM 0 HE2 LYS A 26 14.442 1.566 11.340 1.00 44.43 H new ATOM 0 HE3 LYS A 26 13.085 1.146 10.313 1.00 44.43 H new ATOM 0 HZ1 LYS A 26 12.621 3.119 11.615 1.00 31.54 H new ATOM 0 HZ2 LYS A 26 11.569 1.865 12.068 1.00 31.54 H new ATOM 0 HZ3 LYS A 26 12.884 2.271 13.063 1.00 31.54 H new ATOM 381 N TYR A 27 10.142 -4.276 10.560 1.00 2.22 N ATOM 382 CA TYR A 27 9.339 -5.398 11.029 1.00 20.42 C ATOM 383 C TYR A 27 9.485 -6.599 10.099 1.00 53.13 C ATOM 384 O TYR A 27 9.720 -7.721 10.548 1.00 54.35 O ATOM 385 CB TYR A 27 7.868 -4.993 11.130 1.00 71.34 C ATOM 386 CG TYR A 27 6.946 -6.138 11.483 1.00 62.32 C ATOM 387 CD1 TYR A 27 6.684 -6.461 12.808 1.00 35.30 C ATOM 388 CD2 TYR A 27 6.338 -6.898 10.491 1.00 13.33 C ATOM 389 CE1 TYR A 27 5.844 -7.507 13.136 1.00 34.33 C ATOM 390 CE2 TYR A 27 5.495 -7.945 10.809 1.00 23.52 C ATOM 391 CZ TYR A 27 5.252 -8.246 12.133 1.00 32.21 C ATOM 392 OH TYR A 27 4.413 -9.289 12.455 1.00 15.02 O ATOM 0 H TYR A 27 9.629 -3.399 10.469 1.00 2.22 H new ATOM 0 HA TYR A 27 9.699 -5.681 12.018 1.00 20.42 H new ATOM 0 HB2 TYR A 27 7.766 -4.211 11.882 1.00 71.34 H new ATOM 0 HB3 TYR A 27 7.552 -4.564 10.179 1.00 71.34 H new ATOM 0 HD1 TYR A 27 7.145 -5.884 13.596 1.00 35.30 H new ATOM 0 HD2 TYR A 27 6.528 -6.666 9.453 1.00 13.33 H new ATOM 0 HE1 TYR A 27 5.652 -7.745 14.172 1.00 34.33 H new ATOM 0 HE2 TYR A 27 5.029 -8.524 10.026 1.00 23.52 H new ATOM 0 HH TYR A 27 4.078 -9.705 11.633 1.00 15.02 H new ATOM 402 N ALA A 28 9.345 -6.353 8.800 1.00 32.14 N ATOM 403 CA ALA A 28 9.464 -7.413 7.806 1.00 0.31 C ATOM 404 C ALA A 28 10.874 -7.990 7.785 1.00 4.02 C ATOM 405 O ALA A 28 11.060 -9.206 7.844 1.00 42.10 O ATOM 406 CB ALA A 28 9.086 -6.887 6.429 1.00 65.43 C ATOM 0 H ALA A 28 9.149 -5.430 8.412 1.00 32.14 H new ATOM 0 HA ALA A 28 8.777 -8.214 8.079 1.00 0.31 H new ATOM 0 HB1 ALA A 28 9.179 -7.688 5.695 1.00 65.43 H new ATOM 0 HB2 ALA A 28 8.057 -6.528 6.446 1.00 65.43 H new ATOM 0 HB3 ALA A 28 9.751 -6.067 6.157 1.00 65.43 H new ATOM 412 N LYS A 29 11.868 -7.111 7.700 1.00 24.44 N ATOM 413 CA LYS A 29 13.263 -7.533 7.672 1.00 25.52 C ATOM 414 C LYS A 29 13.613 -8.342 8.918 1.00 53.41 C ATOM 415 O LYS A 29 14.494 -9.200 8.885 1.00 71.41 O ATOM 416 CB LYS A 29 14.184 -6.316 7.566 1.00 51.22 C ATOM 417 CG LYS A 29 15.638 -6.673 7.315 1.00 61.33 C ATOM 418 CD LYS A 29 16.440 -6.693 8.605 1.00 14.05 C ATOM 419 CE LYS A 29 17.444 -7.834 8.622 1.00 74.32 C ATOM 420 NZ LYS A 29 18.846 -7.339 8.692 1.00 22.12 N ATOM 0 H LYS A 29 11.732 -6.101 7.649 1.00 24.44 H new ATOM 0 HA LYS A 29 13.407 -8.167 6.797 1.00 25.52 H new ATOM 0 HB2 LYS A 29 13.832 -5.674 6.759 1.00 51.22 H new ATOM 0 HB3 LYS A 29 14.115 -5.737 8.487 1.00 51.22 H new ATOM 0 HG2 LYS A 29 15.696 -7.650 6.835 1.00 61.33 H new ATOM 0 HG3 LYS A 29 16.076 -5.952 6.625 1.00 61.33 H new ATOM 0 HD2 LYS A 29 16.964 -5.745 8.723 1.00 14.05 H new ATOM 0 HD3 LYS A 29 15.763 -6.791 9.454 1.00 14.05 H new ATOM 0 HE2 LYS A 29 17.244 -8.481 9.477 1.00 74.32 H new ATOM 0 HE3 LYS A 29 17.318 -8.442 7.726 1.00 74.32 H new ATOM 0 HZ1 LYS A 29 19.500 -8.148 8.702 1.00 22.12 H new ATOM 0 HZ2 LYS A 29 19.045 -6.743 7.864 1.00 22.12 H new ATOM 0 HZ3 LYS A 29 18.974 -6.780 9.560 1.00 22.12 H new ATOM 434 N SER A 30 12.916 -8.061 10.014 1.00 11.22 N ATOM 435 CA SER A 30 13.154 -8.760 11.272 1.00 41.43 C ATOM 436 C SER A 30 12.394 -10.082 11.310 1.00 13.24 C ATOM 437 O SER A 30 12.923 -11.104 11.749 1.00 14.34 O ATOM 438 CB SER A 30 12.737 -7.883 12.454 1.00 21.53 C ATOM 439 OG SER A 30 13.310 -8.351 13.663 1.00 74.30 O ATOM 0 H SER A 30 12.182 -7.354 10.057 1.00 11.22 H new ATOM 0 HA SER A 30 14.221 -8.972 11.346 1.00 41.43 H new ATOM 0 HB2 SER A 30 13.048 -6.854 12.275 1.00 21.53 H new ATOM 0 HB3 SER A 30 11.651 -7.877 12.541 1.00 21.53 H new ATOM 0 HG SER A 30 13.030 -7.773 14.403 1.00 74.30 H new ATOM 445 N LYS A 31 11.149 -10.055 10.848 1.00 55.14 N ATOM 446 CA LYS A 31 10.313 -11.250 10.827 1.00 73.41 C ATOM 447 C LYS A 31 10.774 -12.217 9.742 1.00 74.44 C ATOM 448 O LYS A 31 10.410 -13.392 9.750 1.00 22.53 O ATOM 449 CB LYS A 31 8.849 -10.870 10.597 1.00 12.24 C ATOM 450 CG LYS A 31 8.187 -10.239 11.811 1.00 40.24 C ATOM 451 CD LYS A 31 7.713 -11.292 12.799 1.00 45.13 C ATOM 452 CE LYS A 31 7.959 -10.859 14.236 1.00 13.51 C ATOM 453 NZ LYS A 31 7.642 -11.944 15.204 1.00 31.02 N ATOM 0 H LYS A 31 10.696 -9.218 10.482 1.00 55.14 H new ATOM 0 HA LYS A 31 10.406 -11.745 11.794 1.00 73.41 H new ATOM 0 HB2 LYS A 31 8.790 -10.175 9.759 1.00 12.24 H new ATOM 0 HB3 LYS A 31 8.291 -11.762 10.312 1.00 12.24 H new ATOM 0 HG2 LYS A 31 8.891 -9.568 12.303 1.00 40.24 H new ATOM 0 HG3 LYS A 31 7.340 -9.632 11.490 1.00 40.24 H new ATOM 0 HD2 LYS A 31 6.649 -11.478 12.651 1.00 45.13 H new ATOM 0 HD3 LYS A 31 8.231 -12.232 12.607 1.00 45.13 H new ATOM 0 HE2 LYS A 31 9.001 -10.562 14.352 1.00 13.51 H new ATOM 0 HE3 LYS A 31 7.351 -9.983 14.460 1.00 13.51 H new ATOM 0 HZ1 LYS A 31 7.823 -11.609 16.172 1.00 31.02 H new ATOM 0 HZ2 LYS A 31 6.641 -12.211 15.111 1.00 31.02 H new ATOM 0 HZ3 LYS A 31 8.240 -12.771 15.006 1.00 31.02 H new ATOM 467 N ASN A 32 11.578 -11.716 8.810 1.00 12.31 N ATOM 468 CA ASN A 32 12.089 -12.536 7.718 1.00 24.30 C ATOM 469 C ASN A 32 10.952 -13.027 6.828 1.00 1.31 C ATOM 470 O ASN A 32 10.746 -14.231 6.674 1.00 13.12 O ATOM 471 CB ASN A 32 12.869 -13.730 8.273 1.00 71.41 C ATOM 472 CG ASN A 32 13.924 -14.232 7.305 1.00 53.05 C ATOM 473 OD1 ASN A 32 14.978 -13.618 7.146 1.00 5.40 O ATOM 474 ND2 ASN A 32 13.641 -15.354 6.652 1.00 40.31 N ATOM 0 H ASN A 32 11.890 -10.745 8.789 1.00 12.31 H new ATOM 0 HA ASN A 32 12.757 -11.921 7.116 1.00 24.30 H new ATOM 0 HB2 ASN A 32 13.346 -13.445 9.210 1.00 71.41 H new ATOM 0 HB3 ASN A 32 12.175 -14.539 8.502 1.00 71.41 H new ATOM 0 HD21 ASN A 32 14.311 -15.740 5.987 1.00 40.31 H new ATOM 0 HD22 ASN A 32 12.754 -15.830 6.816 1.00 40.31 H new ATOM 481 N ILE A 33 10.217 -12.086 6.243 1.00 45.20 N ATOM 482 CA ILE A 33 9.103 -12.423 5.367 1.00 53.53 C ATOM 483 C ILE A 33 9.399 -12.029 3.923 1.00 24.05 C ATOM 484 O ILE A 33 10.029 -11.003 3.667 1.00 24.40 O ATOM 485 CB ILE A 33 7.803 -11.731 5.818 1.00 1.43 C ATOM 486 CG1 ILE A 33 7.455 -12.137 7.252 1.00 34.04 C ATOM 487 CG2 ILE A 33 6.663 -12.077 4.872 1.00 15.24 C ATOM 488 CD1 ILE A 33 6.494 -11.187 7.933 1.00 65.51 C ATOM 0 H ILE A 33 10.374 -11.085 6.360 1.00 45.20 H new ATOM 0 HA ILE A 33 8.971 -13.503 5.427 1.00 53.53 H new ATOM 0 HB ILE A 33 7.955 -10.652 5.792 1.00 1.43 H new ATOM 0 HG12 ILE A 33 7.020 -13.136 7.243 1.00 34.04 H new ATOM 0 HG13 ILE A 33 8.373 -12.194 7.838 1.00 34.04 H new ATOM 0 HG21 ILE A 33 5.751 -11.581 5.204 1.00 15.24 H new ATOM 0 HG22 ILE A 33 6.912 -11.743 3.865 1.00 15.24 H new ATOM 0 HG23 ILE A 33 6.508 -13.156 4.868 1.00 15.24 H new ATOM 0 HD11 ILE A 33 6.292 -11.537 8.945 1.00 65.51 H new ATOM 0 HD12 ILE A 33 6.935 -10.191 7.974 1.00 65.51 H new ATOM 0 HD13 ILE A 33 5.561 -11.148 7.370 1.00 65.51 H new ATOM 500 N ASN A 34 8.941 -12.851 2.985 1.00 1.21 N ATOM 501 CA ASN A 34 9.156 -12.588 1.567 1.00 52.31 C ATOM 502 C ASN A 34 8.183 -11.529 1.057 1.00 42.24 C ATOM 503 O ASN A 34 7.152 -11.851 0.469 1.00 72.32 O ATOM 504 CB ASN A 34 8.996 -13.876 0.758 1.00 31.52 C ATOM 505 CG ASN A 34 9.644 -15.068 1.435 1.00 23.32 C ATOM 506 OD1 ASN A 34 8.995 -16.084 1.685 1.00 1.23 O ATOM 507 ND2 ASN A 34 10.932 -14.949 1.735 1.00 63.14 N ATOM 0 H ASN A 34 8.419 -13.705 3.181 1.00 1.21 H new ATOM 0 HA ASN A 34 10.172 -12.213 1.442 1.00 52.31 H new ATOM 0 HB2 ASN A 34 7.935 -14.079 0.609 1.00 31.52 H new ATOM 0 HB3 ASN A 34 9.436 -13.739 -0.230 1.00 31.52 H new ATOM 0 HD21 ASN A 34 11.423 -15.718 2.191 1.00 63.14 H new ATOM 0 HD22 ASN A 34 11.431 -14.088 1.509 1.00 63.14 H new ATOM 514 N ALA A 35 8.521 -10.264 1.286 1.00 74.05 N ATOM 515 CA ALA A 35 7.680 -9.158 0.846 1.00 52.41 C ATOM 516 C ALA A 35 8.511 -7.907 0.583 1.00 12.24 C ATOM 517 O ALA A 35 9.673 -7.824 0.983 1.00 1.02 O ATOM 518 CB ALA A 35 6.603 -8.870 1.882 1.00 73.13 C ATOM 0 H ALA A 35 9.371 -9.980 1.773 1.00 74.05 H new ATOM 0 HA ALA A 35 7.201 -9.448 -0.090 1.00 52.41 H new ATOM 0 HB1 ALA A 35 5.982 -8.042 1.541 1.00 73.13 H new ATOM 0 HB2 ALA A 35 5.983 -9.756 2.018 1.00 73.13 H new ATOM 0 HB3 ALA A 35 7.071 -8.606 2.830 1.00 73.13 H new ATOM 524 N THR A 36 7.910 -6.933 -0.093 1.00 14.43 N ATOM 525 CA THR A 36 8.594 -5.687 -0.410 1.00 1.51 C ATOM 526 C THR A 36 7.634 -4.504 -0.364 1.00 52.44 C ATOM 527 O THR A 36 6.449 -4.642 -0.668 1.00 34.44 O ATOM 528 CB THR A 36 9.251 -5.745 -1.802 1.00 65.50 C ATOM 529 OG1 THR A 36 8.813 -6.916 -2.501 1.00 31.20 O ATOM 530 CG2 THR A 36 10.768 -5.757 -1.685 1.00 13.13 C ATOM 0 H THR A 36 6.949 -6.984 -0.432 1.00 14.43 H new ATOM 0 HA THR A 36 9.369 -5.552 0.345 1.00 1.51 H new ATOM 0 HB THR A 36 8.952 -4.856 -2.358 1.00 65.50 H new ATOM 0 HG1 THR A 36 8.518 -6.668 -3.402 1.00 31.20 H new ATOM 0 HG21 THR A 36 11.209 -5.798 -2.681 1.00 13.13 H new ATOM 0 HG22 THR A 36 11.101 -4.852 -1.178 1.00 13.13 H new ATOM 0 HG23 THR A 36 11.082 -6.630 -1.113 1.00 13.13 H new ATOM 538 N ILE A 37 8.153 -3.341 0.017 1.00 51.22 N ATOM 539 CA ILE A 37 7.341 -2.133 0.101 1.00 75.14 C ATOM 540 C ILE A 37 8.029 -0.958 -0.585 1.00 23.22 C ATOM 541 O ILE A 37 9.255 -0.845 -0.560 1.00 72.32 O ATOM 542 CB ILE A 37 7.041 -1.756 1.563 1.00 73.52 C ATOM 543 CG1 ILE A 37 6.112 -0.543 1.620 1.00 54.34 C ATOM 544 CG2 ILE A 37 8.335 -1.476 2.313 1.00 11.03 C ATOM 545 CD1 ILE A 37 5.022 -0.663 2.663 1.00 24.30 C ATOM 0 H ILE A 37 9.132 -3.210 0.272 1.00 51.22 H new ATOM 0 HA ILE A 37 6.402 -2.349 -0.409 1.00 75.14 H new ATOM 0 HB ILE A 37 6.539 -2.596 2.044 1.00 73.52 H new ATOM 0 HG12 ILE A 37 6.704 0.348 1.827 1.00 54.34 H new ATOM 0 HG13 ILE A 37 5.653 -0.401 0.642 1.00 54.34 H new ATOM 0 HG21 ILE A 37 8.107 -1.211 3.345 1.00 11.03 H new ATOM 0 HG22 ILE A 37 8.964 -2.366 2.297 1.00 11.03 H new ATOM 0 HG23 ILE A 37 8.862 -0.651 1.834 1.00 11.03 H new ATOM 0 HD11 ILE A 37 4.402 0.233 2.646 1.00 24.30 H new ATOM 0 HD12 ILE A 37 4.405 -1.535 2.446 1.00 24.30 H new ATOM 0 HD13 ILE A 37 5.473 -0.774 3.649 1.00 24.30 H new ATOM 557 N GLU A 38 7.233 -0.085 -1.195 1.00 23.42 N ATOM 558 CA GLU A 38 7.768 1.081 -1.886 1.00 1.42 C ATOM 559 C GLU A 38 6.713 2.178 -1.997 1.00 51.13 C ATOM 560 O GLU A 38 5.540 1.903 -2.250 1.00 60.31 O ATOM 561 CB GLU A 38 8.265 0.694 -3.279 1.00 64.21 C ATOM 562 CG GLU A 38 9.289 1.660 -3.851 1.00 34.40 C ATOM 563 CD GLU A 38 10.502 0.953 -4.422 1.00 62.15 C ATOM 564 OE1 GLU A 38 10.386 0.365 -5.518 1.00 20.01 O ATOM 565 OE2 GLU A 38 11.570 0.989 -3.774 1.00 33.01 O ATOM 0 H GLU A 38 6.216 -0.164 -1.224 1.00 23.42 H new ATOM 0 HA GLU A 38 8.606 1.463 -1.303 1.00 1.42 H new ATOM 0 HB2 GLU A 38 8.704 -0.303 -3.235 1.00 64.21 H new ATOM 0 HB3 GLU A 38 7.413 0.638 -3.957 1.00 64.21 H new ATOM 0 HG2 GLU A 38 8.821 2.259 -4.632 1.00 34.40 H new ATOM 0 HG3 GLU A 38 9.609 2.349 -3.069 1.00 34.40 H new ATOM 572 N ALA A 39 7.138 3.423 -1.806 1.00 14.01 N ATOM 573 CA ALA A 39 6.231 4.561 -1.886 1.00 60.11 C ATOM 574 C ALA A 39 6.609 5.483 -3.040 1.00 54.14 C ATOM 575 O ALA A 39 7.785 5.782 -3.249 1.00 2.41 O ATOM 576 CB ALA A 39 6.231 5.329 -0.573 1.00 13.40 C ATOM 0 H ALA A 39 8.105 3.669 -1.595 1.00 14.01 H new ATOM 0 HA ALA A 39 5.226 4.181 -2.072 1.00 60.11 H new ATOM 0 HB1 ALA A 39 5.549 6.176 -0.647 1.00 13.40 H new ATOM 0 HB2 ALA A 39 5.906 4.671 0.233 1.00 13.40 H new ATOM 0 HB3 ALA A 39 7.238 5.691 -0.363 1.00 13.40 H new ATOM 582 N ILE A 40 5.605 5.929 -3.787 1.00 12.40 N ATOM 583 CA ILE A 40 5.833 6.818 -4.921 1.00 22.32 C ATOM 584 C ILE A 40 4.623 7.711 -5.171 1.00 14.14 C ATOM 585 O ILE A 40 3.632 7.651 -4.441 1.00 44.52 O ATOM 586 CB ILE A 40 6.146 6.026 -6.204 1.00 20.24 C ATOM 587 CG1 ILE A 40 5.078 4.956 -6.442 1.00 32.20 C ATOM 588 CG2 ILE A 40 7.526 5.392 -6.110 1.00 71.42 C ATOM 589 CD1 ILE A 40 4.386 5.083 -7.781 1.00 34.44 C ATOM 0 H ILE A 40 4.626 5.690 -3.628 1.00 12.40 H new ATOM 0 HA ILE A 40 6.693 7.438 -4.668 1.00 22.32 H new ATOM 0 HB ILE A 40 6.139 6.714 -7.050 1.00 20.24 H new ATOM 0 HG12 ILE A 40 5.540 3.971 -6.372 1.00 32.20 H new ATOM 0 HG13 ILE A 40 4.332 5.015 -5.649 1.00 32.20 H new ATOM 0 HG21 ILE A 40 7.734 4.835 -7.024 1.00 71.42 H new ATOM 0 HG22 ILE A 40 8.277 6.172 -5.982 1.00 71.42 H new ATOM 0 HG23 ILE A 40 7.558 4.714 -5.257 1.00 71.42 H new ATOM 0 HD11 ILE A 40 3.642 4.293 -7.882 1.00 34.44 H new ATOM 0 HD12 ILE A 40 3.895 6.054 -7.846 1.00 34.44 H new ATOM 0 HD13 ILE A 40 5.121 4.994 -8.581 1.00 34.44 H new ATOM 601 N ALA A 41 4.708 8.537 -6.208 1.00 44.14 N ATOM 602 CA ALA A 41 3.619 9.440 -6.558 1.00 34.31 C ATOM 603 C ALA A 41 2.582 8.737 -7.428 1.00 13.31 C ATOM 604 O ALA A 41 2.686 7.539 -7.688 1.00 11.11 O ATOM 605 CB ALA A 41 4.161 10.671 -7.269 1.00 73.04 C ATOM 0 H ALA A 41 5.521 8.600 -6.821 1.00 44.14 H new ATOM 0 HA ALA A 41 3.129 9.754 -5.636 1.00 34.31 H new ATOM 0 HB1 ALA A 41 3.336 11.336 -7.524 1.00 73.04 H new ATOM 0 HB2 ALA A 41 4.858 11.192 -6.613 1.00 73.04 H new ATOM 0 HB3 ALA A 41 4.677 10.367 -8.180 1.00 73.04 H new ATOM 611 N GLU A 42 1.581 9.492 -7.874 1.00 22.41 N ATOM 612 CA GLU A 42 0.525 8.939 -8.714 1.00 34.15 C ATOM 613 C GLU A 42 0.971 8.864 -10.170 1.00 71.23 C ATOM 614 O GLU A 42 0.472 8.045 -10.944 1.00 44.20 O ATOM 615 CB GLU A 42 -0.744 9.788 -8.600 1.00 4.34 C ATOM 616 CG GLU A 42 -0.578 11.204 -9.127 1.00 32.31 C ATOM 617 CD GLU A 42 -1.250 11.408 -10.470 1.00 63.55 C ATOM 618 OE1 GLU A 42 -0.823 10.765 -11.453 1.00 22.04 O ATOM 619 OE2 GLU A 42 -2.203 12.211 -10.540 1.00 71.33 O ATOM 0 H GLU A 42 1.480 10.486 -7.668 1.00 22.41 H new ATOM 0 HA GLU A 42 0.310 7.929 -8.366 1.00 34.15 H new ATOM 0 HB2 GLU A 42 -1.549 9.298 -9.147 1.00 4.34 H new ATOM 0 HB3 GLU A 42 -1.049 9.832 -7.555 1.00 4.34 H new ATOM 0 HG2 GLU A 42 -0.994 11.907 -8.406 1.00 32.31 H new ATOM 0 HG3 GLU A 42 0.484 11.432 -9.218 1.00 32.31 H new ATOM 626 N THR A 43 1.914 9.725 -10.540 1.00 13.21 N ATOM 627 CA THR A 43 2.427 9.759 -11.904 1.00 35.22 C ATOM 628 C THR A 43 3.032 8.416 -12.297 1.00 34.31 C ATOM 629 O THR A 43 2.914 7.983 -13.443 1.00 12.25 O ATOM 630 CB THR A 43 3.491 10.858 -12.077 1.00 2.43 C ATOM 631 OG1 THR A 43 3.972 10.867 -13.425 1.00 55.24 O ATOM 632 CG2 THR A 43 4.654 10.643 -11.120 1.00 35.24 C ATOM 0 H THR A 43 2.338 10.409 -9.913 1.00 13.21 H new ATOM 0 HA THR A 43 1.580 9.978 -12.555 1.00 35.22 H new ATOM 0 HB THR A 43 3.028 11.818 -11.850 1.00 2.43 H new ATOM 0 HG1 THR A 43 4.647 11.570 -13.527 1.00 55.24 H new ATOM 0 HG21 THR A 43 5.392 11.432 -11.262 1.00 35.24 H new ATOM 0 HG22 THR A 43 4.289 10.667 -10.093 1.00 35.24 H new ATOM 0 HG23 THR A 43 5.115 9.675 -11.319 1.00 35.24 H new ATOM 640 N ARG A 44 3.679 7.761 -11.339 1.00 32.32 N ATOM 641 CA ARG A 44 4.303 6.466 -11.585 1.00 31.01 C ATOM 642 C ARG A 44 3.574 5.358 -10.831 1.00 3.54 C ATOM 643 O ARG A 44 4.110 4.265 -10.641 1.00 51.53 O ATOM 644 CB ARG A 44 5.775 6.499 -11.169 1.00 34.11 C ATOM 645 CG ARG A 44 6.629 7.421 -12.024 1.00 22.53 C ATOM 646 CD ARG A 44 7.956 7.734 -11.350 1.00 23.11 C ATOM 647 NE ARG A 44 8.642 8.855 -11.986 1.00 13.11 N ATOM 648 CZ ARG A 44 9.928 9.132 -11.799 1.00 73.43 C ATOM 649 NH1 ARG A 44 10.663 8.372 -10.998 1.00 52.33 N ATOM 650 NH2 ARG A 44 10.481 10.169 -12.414 1.00 51.30 N ATOM 0 H ARG A 44 3.785 8.106 -10.385 1.00 32.32 H new ATOM 0 HA ARG A 44 4.239 6.257 -12.653 1.00 31.01 H new ATOM 0 HB2 ARG A 44 5.843 6.816 -10.128 1.00 34.11 H new ATOM 0 HB3 ARG A 44 6.181 5.489 -11.221 1.00 34.11 H new ATOM 0 HG2 ARG A 44 6.812 6.955 -12.992 1.00 22.53 H new ATOM 0 HG3 ARG A 44 6.088 8.348 -12.214 1.00 22.53 H new ATOM 0 HD2 ARG A 44 7.783 7.964 -10.299 1.00 23.11 H new ATOM 0 HD3 ARG A 44 8.596 6.852 -11.382 1.00 23.11 H new ATOM 0 HE ARG A 44 8.104 9.459 -12.608 1.00 13.11 H new ATOM 0 HH11 ARG A 44 10.241 7.573 -10.524 1.00 52.33 H new ATOM 0 HH12 ARG A 44 11.650 8.586 -10.856 1.00 52.33 H new ATOM 0 HH21 ARG A 44 9.919 10.755 -13.031 1.00 51.30 H new ATOM 0 HH22 ARG A 44 11.468 10.381 -12.270 1.00 51.30 H new ATOM 664 N LEU A 45 2.351 5.648 -10.402 1.00 10.01 N ATOM 665 CA LEU A 45 1.548 4.677 -9.667 1.00 54.03 C ATOM 666 C LEU A 45 0.891 3.682 -10.620 1.00 21.14 C ATOM 667 O LEU A 45 0.995 2.469 -10.435 1.00 4.14 O ATOM 668 CB LEU A 45 0.477 5.392 -8.842 1.00 35.24 C ATOM 669 CG LEU A 45 -0.675 4.521 -8.338 1.00 72.41 C ATOM 670 CD1 LEU A 45 -0.147 3.376 -7.488 1.00 23.32 C ATOM 671 CD2 LEU A 45 -1.672 5.358 -7.549 1.00 65.24 C ATOM 0 H LEU A 45 1.894 6.548 -10.550 1.00 10.01 H new ATOM 0 HA LEU A 45 2.209 4.129 -8.996 1.00 54.03 H new ATOM 0 HB2 LEU A 45 0.959 5.855 -7.981 1.00 35.24 H new ATOM 0 HB3 LEU A 45 0.060 6.198 -9.446 1.00 35.24 H new ATOM 0 HG LEU A 45 -1.189 4.098 -9.201 1.00 72.41 H new ATOM 0 HD11 LEU A 45 -0.981 2.768 -7.139 1.00 23.32 H new ATOM 0 HD12 LEU A 45 0.526 2.760 -8.085 1.00 23.32 H new ATOM 0 HD13 LEU A 45 0.393 3.778 -6.631 1.00 23.32 H new ATOM 0 HD21 LEU A 45 -2.484 4.722 -7.198 1.00 65.24 H new ATOM 0 HD22 LEU A 45 -1.171 5.811 -6.693 1.00 65.24 H new ATOM 0 HD23 LEU A 45 -2.076 6.142 -8.189 1.00 65.24 H new ATOM 683 N SER A 46 0.218 4.203 -11.640 1.00 35.10 N ATOM 684 CA SER A 46 -0.457 3.360 -12.620 1.00 61.21 C ATOM 685 C SER A 46 0.552 2.699 -13.554 1.00 62.14 C ATOM 686 O SER A 46 0.223 1.754 -14.271 1.00 2.40 O ATOM 687 CB SER A 46 -1.456 4.186 -13.433 1.00 10.55 C ATOM 688 OG SER A 46 -0.869 5.391 -13.890 1.00 42.41 O ATOM 0 H SER A 46 0.125 5.204 -11.810 1.00 35.10 H new ATOM 0 HA SER A 46 -0.995 2.579 -12.082 1.00 61.21 H new ATOM 0 HB2 SER A 46 -1.807 3.603 -14.285 1.00 10.55 H new ATOM 0 HB3 SER A 46 -2.329 4.412 -12.821 1.00 10.55 H new ATOM 0 HG SER A 46 -1.527 5.900 -14.408 1.00 42.41 H new ATOM 694 N GLU A 47 1.782 3.204 -13.539 1.00 11.11 N ATOM 695 CA GLU A 47 2.839 2.663 -14.385 1.00 62.22 C ATOM 696 C GLU A 47 3.551 1.505 -13.693 1.00 70.23 C ATOM 697 O GLU A 47 4.138 0.641 -14.346 1.00 55.35 O ATOM 698 CB GLU A 47 3.849 3.757 -14.741 1.00 15.52 C ATOM 699 CG GLU A 47 4.375 3.661 -16.163 1.00 22.55 C ATOM 700 CD GLU A 47 5.869 3.402 -16.214 1.00 53.35 C ATOM 701 OE1 GLU A 47 6.294 2.294 -15.824 1.00 73.14 O ATOM 702 OE2 GLU A 47 6.612 4.308 -16.645 1.00 40.32 O ATOM 0 H GLU A 47 2.070 3.986 -12.951 1.00 11.11 H new ATOM 0 HA GLU A 47 2.380 2.290 -15.301 1.00 62.22 H new ATOM 0 HB2 GLU A 47 3.381 4.731 -14.601 1.00 15.52 H new ATOM 0 HB3 GLU A 47 4.689 3.704 -14.048 1.00 15.52 H new ATOM 0 HG2 GLU A 47 3.853 2.860 -16.687 1.00 22.55 H new ATOM 0 HG3 GLU A 47 4.152 4.587 -16.693 1.00 22.55 H new ATOM 709 N VAL A 48 3.497 1.493 -12.365 1.00 72.31 N ATOM 710 CA VAL A 48 4.135 0.441 -11.583 1.00 20.13 C ATOM 711 C VAL A 48 3.106 -0.553 -11.056 1.00 23.14 C ATOM 712 O VAL A 48 3.427 -1.712 -10.788 1.00 44.31 O ATOM 713 CB VAL A 48 4.924 1.025 -10.396 1.00 11.42 C ATOM 714 CG1 VAL A 48 5.949 2.038 -10.883 1.00 32.22 C ATOM 715 CG2 VAL A 48 3.977 1.655 -9.385 1.00 42.12 C ATOM 0 H VAL A 48 3.018 2.200 -11.808 1.00 72.31 H new ATOM 0 HA VAL A 48 4.825 -0.075 -12.250 1.00 20.13 H new ATOM 0 HB VAL A 48 5.458 0.213 -9.902 1.00 11.42 H new ATOM 0 HG11 VAL A 48 6.497 2.440 -10.031 1.00 32.22 H new ATOM 0 HG12 VAL A 48 6.646 1.551 -11.565 1.00 32.22 H new ATOM 0 HG13 VAL A 48 5.440 2.850 -11.403 1.00 32.22 H new ATOM 0 HG21 VAL A 48 4.551 2.062 -8.553 1.00 42.12 H new ATOM 0 HG22 VAL A 48 3.414 2.456 -9.864 1.00 42.12 H new ATOM 0 HG23 VAL A 48 3.286 0.898 -9.013 1.00 42.12 H new ATOM 725 N VAL A 49 1.868 -0.093 -10.907 1.00 44.34 N ATOM 726 CA VAL A 49 0.791 -0.942 -10.413 1.00 43.21 C ATOM 727 C VAL A 49 0.707 -2.241 -11.207 1.00 11.23 C ATOM 728 O VAL A 49 0.309 -3.279 -10.677 1.00 51.25 O ATOM 729 CB VAL A 49 -0.569 -0.221 -10.484 1.00 24.43 C ATOM 730 CG1 VAL A 49 -0.983 -0.004 -11.931 1.00 11.34 C ATOM 731 CG2 VAL A 49 -1.628 -1.010 -9.729 1.00 54.24 C ATOM 0 H VAL A 49 1.586 0.864 -11.122 1.00 44.34 H new ATOM 0 HA VAL A 49 1.020 -1.170 -9.372 1.00 43.21 H new ATOM 0 HB VAL A 49 -0.470 0.756 -10.010 1.00 24.43 H new ATOM 0 HG11 VAL A 49 -1.946 0.506 -11.961 1.00 11.34 H new ATOM 0 HG12 VAL A 49 -0.233 0.605 -12.437 1.00 11.34 H new ATOM 0 HG13 VAL A 49 -1.067 -0.967 -12.434 1.00 11.34 H new ATOM 0 HG21 VAL A 49 -2.583 -0.487 -9.789 1.00 54.24 H new ATOM 0 HG22 VAL A 49 -1.728 -2.001 -10.172 1.00 54.24 H new ATOM 0 HG23 VAL A 49 -1.333 -1.108 -8.684 1.00 54.24 H new ATOM 741 N ASP A 50 1.086 -2.176 -12.479 1.00 35.34 N ATOM 742 CA ASP A 50 1.055 -3.348 -13.346 1.00 1.42 C ATOM 743 C ASP A 50 2.005 -4.427 -12.835 1.00 61.41 C ATOM 744 O ASP A 50 1.727 -5.620 -12.955 1.00 75.50 O ATOM 745 CB ASP A 50 1.427 -2.960 -14.777 1.00 11.30 C ATOM 746 CG ASP A 50 1.018 -4.012 -15.788 1.00 15.42 C ATOM 747 OD1 ASP A 50 1.639 -5.096 -15.802 1.00 43.23 O ATOM 748 OD2 ASP A 50 0.075 -3.753 -16.565 1.00 14.22 O ATOM 0 H ASP A 50 1.418 -1.325 -12.932 1.00 35.34 H new ATOM 0 HA ASP A 50 0.041 -3.748 -13.338 1.00 1.42 H new ATOM 0 HB2 ASP A 50 0.949 -2.013 -15.029 1.00 11.30 H new ATOM 0 HB3 ASP A 50 2.503 -2.800 -14.839 1.00 11.30 H new ATOM 753 N ARG A 51 3.127 -3.999 -12.266 1.00 10.10 N ATOM 754 CA ARG A 51 4.119 -4.929 -11.740 1.00 2.23 C ATOM 755 C ARG A 51 3.785 -5.325 -10.304 1.00 1.00 C ATOM 756 O ARG A 51 3.848 -6.501 -9.943 1.00 41.20 O ATOM 757 CB ARG A 51 5.515 -4.304 -11.795 1.00 21.03 C ATOM 758 CG ARG A 51 5.878 -3.747 -13.162 1.00 22.13 C ATOM 759 CD ARG A 51 7.275 -4.178 -13.585 1.00 13.11 C ATOM 760 NE ARG A 51 7.837 -3.289 -14.597 1.00 43.44 N ATOM 761 CZ ARG A 51 8.889 -3.601 -15.347 1.00 24.42 C ATOM 762 NH1 ARG A 51 9.488 -4.775 -15.198 1.00 0.10 N ATOM 763 NH2 ARG A 51 9.343 -2.740 -16.248 1.00 4.42 N ATOM 0 H ARG A 51 3.372 -3.015 -12.157 1.00 10.10 H new ATOM 0 HA ARG A 51 4.104 -5.826 -12.360 1.00 2.23 H new ATOM 0 HB2 ARG A 51 5.575 -3.503 -11.058 1.00 21.03 H new ATOM 0 HB3 ARG A 51 6.252 -5.055 -11.510 1.00 21.03 H new ATOM 0 HG2 ARG A 51 5.152 -4.088 -13.900 1.00 22.13 H new ATOM 0 HG3 ARG A 51 5.823 -2.659 -13.139 1.00 22.13 H new ATOM 0 HD2 ARG A 51 7.929 -4.195 -12.713 1.00 13.11 H new ATOM 0 HD3 ARG A 51 7.238 -5.195 -13.975 1.00 13.11 H new ATOM 0 HE ARG A 51 7.399 -2.379 -14.736 1.00 43.44 H new ATOM 0 HH11 ARG A 51 9.141 -5.440 -14.507 1.00 0.10 H new ATOM 0 HH12 ARG A 51 10.295 -5.013 -15.775 1.00 0.10 H new ATOM 0 HH21 ARG A 51 8.885 -1.836 -16.366 1.00 4.42 H new ATOM 0 HH22 ARG A 51 10.150 -2.981 -16.823 1.00 4.42 H new ATOM 777 N PHE A 52 3.430 -4.337 -9.490 1.00 74.35 N ATOM 778 CA PHE A 52 3.087 -4.582 -8.095 1.00 33.44 C ATOM 779 C PHE A 52 1.839 -5.455 -7.986 1.00 3.41 C ATOM 780 O PHE A 52 1.270 -5.872 -8.994 1.00 45.35 O ATOM 781 CB PHE A 52 2.861 -3.258 -7.362 1.00 4.52 C ATOM 782 CG PHE A 52 4.135 -2.593 -6.920 1.00 71.11 C ATOM 783 CD1 PHE A 52 4.689 -2.882 -5.684 1.00 21.53 C ATOM 784 CD2 PHE A 52 4.776 -1.680 -7.742 1.00 1.23 C ATOM 785 CE1 PHE A 52 5.860 -2.273 -5.275 1.00 44.54 C ATOM 786 CE2 PHE A 52 5.947 -1.067 -7.338 1.00 0.12 C ATOM 787 CZ PHE A 52 6.490 -1.364 -6.103 1.00 63.14 C ATOM 0 H PHE A 52 3.372 -3.359 -9.773 1.00 74.35 H new ATOM 0 HA PHE A 52 3.920 -5.109 -7.630 1.00 33.44 H new ATOM 0 HB2 PHE A 52 2.314 -2.579 -8.015 1.00 4.52 H new ATOM 0 HB3 PHE A 52 2.232 -3.437 -6.490 1.00 4.52 H new ATOM 0 HD1 PHE A 52 4.200 -3.591 -5.033 1.00 21.53 H new ATOM 0 HD2 PHE A 52 4.356 -1.445 -8.709 1.00 1.23 H new ATOM 0 HE1 PHE A 52 6.282 -2.507 -4.309 1.00 44.54 H new ATOM 0 HE2 PHE A 52 6.437 -0.356 -7.987 1.00 0.12 H new ATOM 0 HZ PHE A 52 7.405 -0.887 -5.785 1.00 63.14 H new ATOM 797 N ASP A 53 1.420 -5.726 -6.755 1.00 74.22 N ATOM 798 CA ASP A 53 0.240 -6.548 -6.513 1.00 15.33 C ATOM 799 C ASP A 53 -0.852 -5.740 -5.818 1.00 44.25 C ATOM 800 O ASP A 53 -1.935 -5.541 -6.367 1.00 51.53 O ATOM 801 CB ASP A 53 0.607 -7.767 -5.665 1.00 73.14 C ATOM 802 CG ASP A 53 1.365 -8.815 -6.457 1.00 14.43 C ATOM 803 OD1 ASP A 53 0.831 -9.285 -7.483 1.00 22.31 O ATOM 804 OD2 ASP A 53 2.492 -9.163 -6.050 1.00 24.13 O ATOM 0 H ASP A 53 1.880 -5.389 -5.909 1.00 74.22 H new ATOM 0 HA ASP A 53 -0.141 -6.886 -7.477 1.00 15.33 H new ATOM 0 HB2 ASP A 53 1.213 -7.447 -4.817 1.00 73.14 H new ATOM 0 HB3 ASP A 53 -0.302 -8.210 -5.258 1.00 73.14 H new ATOM 809 N VAL A 54 -0.559 -5.279 -4.607 1.00 13.35 N ATOM 810 CA VAL A 54 -1.516 -4.492 -3.837 1.00 0.32 C ATOM 811 C VAL A 54 -1.086 -3.032 -3.753 1.00 22.55 C ATOM 812 O VAL A 54 0.106 -2.722 -3.781 1.00 11.31 O ATOM 813 CB VAL A 54 -1.682 -5.050 -2.411 1.00 24.45 C ATOM 814 CG1 VAL A 54 -2.821 -4.346 -1.690 1.00 71.21 C ATOM 815 CG2 VAL A 54 -1.913 -6.553 -2.450 1.00 44.32 C ATOM 0 H VAL A 54 0.333 -5.436 -4.137 1.00 13.35 H new ATOM 0 HA VAL A 54 -2.471 -4.556 -4.358 1.00 0.32 H new ATOM 0 HB VAL A 54 -0.762 -4.861 -1.857 1.00 24.45 H new ATOM 0 HG11 VAL A 54 -2.922 -4.754 -0.684 1.00 71.21 H new ATOM 0 HG12 VAL A 54 -2.608 -3.279 -1.629 1.00 71.21 H new ATOM 0 HG13 VAL A 54 -3.750 -4.500 -2.239 1.00 71.21 H new ATOM 0 HG21 VAL A 54 -2.028 -6.930 -1.434 1.00 44.32 H new ATOM 0 HG22 VAL A 54 -2.816 -6.768 -3.021 1.00 44.32 H new ATOM 0 HG23 VAL A 54 -1.060 -7.040 -2.923 1.00 44.32 H new ATOM 825 N VAL A 55 -2.063 -2.138 -3.648 1.00 15.30 N ATOM 826 CA VAL A 55 -1.786 -0.709 -3.558 1.00 1.23 C ATOM 827 C VAL A 55 -2.473 -0.092 -2.344 1.00 24.12 C ATOM 828 O VAL A 55 -3.518 -0.568 -1.899 1.00 22.32 O ATOM 829 CB VAL A 55 -2.246 0.033 -4.827 1.00 23.24 C ATOM 830 CG1 VAL A 55 -1.760 1.475 -4.808 1.00 33.42 C ATOM 831 CG2 VAL A 55 -1.754 -0.688 -6.073 1.00 13.34 C ATOM 0 H VAL A 55 -3.054 -2.378 -3.623 1.00 15.30 H new ATOM 0 HA VAL A 55 -0.706 -0.601 -3.455 1.00 1.23 H new ATOM 0 HB VAL A 55 -3.336 0.042 -4.847 1.00 23.24 H new ATOM 0 HG11 VAL A 55 -2.094 1.984 -5.712 1.00 33.42 H new ATOM 0 HG12 VAL A 55 -2.166 1.984 -3.934 1.00 33.42 H new ATOM 0 HG13 VAL A 55 -0.671 1.491 -4.764 1.00 33.42 H new ATOM 0 HG21 VAL A 55 -2.088 -0.150 -6.960 1.00 13.34 H new ATOM 0 HG22 VAL A 55 -0.665 -0.730 -6.063 1.00 13.34 H new ATOM 0 HG23 VAL A 55 -2.156 -1.701 -6.090 1.00 13.34 H new ATOM 841 N LEU A 56 -1.880 0.972 -1.813 1.00 32.21 N ATOM 842 CA LEU A 56 -2.434 1.656 -0.650 1.00 41.41 C ATOM 843 C LEU A 56 -2.464 3.166 -0.870 1.00 60.33 C ATOM 844 O LEU A 56 -1.460 3.768 -1.251 1.00 1.31 O ATOM 845 CB LEU A 56 -1.615 1.327 0.598 1.00 21.33 C ATOM 846 CG LEU A 56 -2.029 0.067 1.360 1.00 62.24 C ATOM 847 CD1 LEU A 56 -0.860 -0.900 1.469 1.00 61.04 C ATOM 848 CD2 LEU A 56 -2.554 0.428 2.742 1.00 15.20 C ATOM 0 H LEU A 56 -1.016 1.380 -2.170 1.00 32.21 H new ATOM 0 HA LEU A 56 -3.457 1.308 -0.507 1.00 41.41 H new ATOM 0 HB2 LEU A 56 -0.570 1.224 0.306 1.00 21.33 H new ATOM 0 HB3 LEU A 56 -1.673 2.175 1.280 1.00 21.33 H new ATOM 0 HG LEU A 56 -2.829 -0.423 0.805 1.00 62.24 H new ATOM 0 HD11 LEU A 56 -1.174 -1.790 2.014 1.00 61.04 H new ATOM 0 HD12 LEU A 56 -0.529 -1.184 0.470 1.00 61.04 H new ATOM 0 HD13 LEU A 56 -0.039 -0.420 2.001 1.00 61.04 H new ATOM 0 HD21 LEU A 56 -2.844 -0.481 3.270 1.00 15.20 H new ATOM 0 HD22 LEU A 56 -1.774 0.942 3.305 1.00 15.20 H new ATOM 0 HD23 LEU A 56 -3.420 1.082 2.643 1.00 15.20 H new ATOM 860 N LEU A 57 -3.620 3.771 -0.625 1.00 51.23 N ATOM 861 CA LEU A 57 -3.781 5.211 -0.794 1.00 31.12 C ATOM 862 C LEU A 57 -3.623 5.936 0.540 1.00 70.34 C ATOM 863 O LEU A 57 -4.160 5.504 1.559 1.00 25.40 O ATOM 864 CB LEU A 57 -5.151 5.524 -1.399 1.00 20.10 C ATOM 865 CG LEU A 57 -5.189 6.662 -2.420 1.00 41.11 C ATOM 866 CD1 LEU A 57 -6.547 6.722 -3.101 1.00 2.22 C ATOM 867 CD2 LEU A 57 -4.866 7.990 -1.751 1.00 72.02 C ATOM 0 H LEU A 57 -4.460 3.287 -0.309 1.00 51.23 H new ATOM 0 HA LEU A 57 -3.003 5.562 -1.472 1.00 31.12 H new ATOM 0 HB2 LEU A 57 -5.530 4.621 -1.877 1.00 20.10 H new ATOM 0 HB3 LEU A 57 -5.837 5.767 -0.588 1.00 20.10 H new ATOM 0 HG LEU A 57 -4.432 6.468 -3.180 1.00 41.11 H new ATOM 0 HD11 LEU A 57 -6.556 7.538 -3.824 1.00 2.22 H new ATOM 0 HD12 LEU A 57 -6.739 5.780 -3.614 1.00 2.22 H new ATOM 0 HD13 LEU A 57 -7.322 6.892 -2.353 1.00 2.22 H new ATOM 0 HD21 LEU A 57 -4.898 8.788 -2.493 1.00 72.02 H new ATOM 0 HD22 LEU A 57 -5.599 8.191 -0.970 1.00 72.02 H new ATOM 0 HD23 LEU A 57 -3.870 7.943 -1.311 1.00 72.02 H new ATOM 879 N ALA A 58 -2.886 7.041 0.522 1.00 0.52 N ATOM 880 CA ALA A 58 -2.662 7.829 1.727 1.00 33.04 C ATOM 881 C ALA A 58 -3.921 8.591 2.129 1.00 72.45 C ATOM 882 O ALA A 58 -4.835 8.793 1.328 1.00 3.20 O ATOM 883 CB ALA A 58 -1.503 8.794 1.520 1.00 31.42 C ATOM 0 H ALA A 58 -2.434 7.411 -0.314 1.00 0.52 H new ATOM 0 HA ALA A 58 -2.410 7.143 2.536 1.00 33.04 H new ATOM 0 HB1 ALA A 58 -1.347 9.376 2.428 1.00 31.42 H new ATOM 0 HB2 ALA A 58 -0.598 8.232 1.290 1.00 31.42 H new ATOM 0 HB3 ALA A 58 -1.733 9.466 0.693 1.00 31.42 H new ATOM 889 N PRO A 59 -3.974 9.022 3.398 1.00 71.22 N ATOM 890 CA PRO A 59 -5.116 9.768 3.934 1.00 52.03 C ATOM 891 C PRO A 59 -5.219 11.172 3.347 1.00 2.34 C ATOM 892 O PRO A 59 -6.202 11.877 3.571 1.00 73.23 O ATOM 893 CB PRO A 59 -4.825 9.834 5.434 1.00 21.44 C ATOM 894 CG PRO A 59 -3.344 9.713 5.538 1.00 21.40 C ATOM 895 CD PRO A 59 -2.922 8.816 4.406 1.00 4.13 C ATOM 0 HA PRO A 59 -6.065 9.290 3.692 1.00 52.03 H new ATOM 0 HB2 PRO A 59 -5.177 10.771 5.865 1.00 21.44 H new ATOM 0 HB3 PRO A 59 -5.327 9.029 5.970 1.00 21.44 H new ATOM 0 HG2 PRO A 59 -2.866 10.690 5.461 1.00 21.40 H new ATOM 0 HG3 PRO A 59 -3.053 9.291 6.500 1.00 21.40 H new ATOM 0 HD2 PRO A 59 -1.939 9.089 4.022 1.00 4.13 H new ATOM 0 HD3 PRO A 59 -2.864 7.774 4.719 1.00 4.13 H new ATOM 903 N GLN A 60 -4.196 11.572 2.599 1.00 63.10 N ATOM 904 CA GLN A 60 -4.172 12.892 1.981 1.00 4.23 C ATOM 905 C GLN A 60 -4.762 12.847 0.577 1.00 54.44 C ATOM 906 O GLN A 60 -5.359 11.849 0.175 1.00 45.05 O ATOM 907 CB GLN A 60 -2.740 13.427 1.930 1.00 41.44 C ATOM 908 CG GLN A 60 -2.601 14.846 2.458 1.00 23.01 C ATOM 909 CD GLN A 60 -1.506 14.976 3.499 1.00 50.42 C ATOM 910 OE1 GLN A 60 -1.773 14.985 4.700 1.00 14.31 O ATOM 911 NE2 GLN A 60 -0.263 15.079 3.041 1.00 33.41 N ATOM 0 H GLN A 60 -3.373 11.001 2.406 1.00 63.10 H new ATOM 0 HA GLN A 60 -4.781 13.562 2.588 1.00 4.23 H new ATOM 0 HB2 GLN A 60 -2.094 12.768 2.510 1.00 41.44 H new ATOM 0 HB3 GLN A 60 -2.386 13.395 0.900 1.00 41.44 H new ATOM 0 HG2 GLN A 60 -2.390 15.520 1.628 1.00 23.01 H new ATOM 0 HG3 GLN A 60 -3.549 15.163 2.892 1.00 23.01 H new ATOM 0 HE21 GLN A 60 -0.087 15.067 2.036 1.00 33.41 H new ATOM 0 HE22 GLN A 60 0.515 15.170 3.694 1.00 33.41 H new ATOM 920 N SER A 61 -4.593 13.938 -0.167 1.00 22.23 N ATOM 921 CA SER A 61 -5.114 14.024 -1.526 1.00 5.11 C ATOM 922 C SER A 61 -6.639 14.017 -1.526 1.00 31.34 C ATOM 923 O SER A 61 -7.266 13.081 -1.028 1.00 42.33 O ATOM 924 CB SER A 61 -4.587 12.862 -2.371 1.00 52.33 C ATOM 925 OG SER A 61 -5.613 11.925 -2.644 1.00 33.42 O ATOM 0 H SER A 61 -4.100 14.773 0.149 1.00 22.23 H new ATOM 0 HA SER A 61 -4.773 14.964 -1.960 1.00 5.11 H new ATOM 0 HB2 SER A 61 -4.180 13.244 -3.307 1.00 52.33 H new ATOM 0 HB3 SER A 61 -3.769 12.368 -1.846 1.00 52.33 H new ATOM 0 HG SER A 61 -6.037 11.651 -1.804 1.00 33.42 H new ATOM 931 N ARG A 62 -7.229 15.068 -2.086 1.00 34.21 N ATOM 932 CA ARG A 62 -8.682 15.184 -2.149 1.00 45.22 C ATOM 933 C ARG A 62 -9.218 14.588 -3.447 1.00 12.41 C ATOM 934 O ARG A 62 -9.927 13.581 -3.434 1.00 50.42 O ATOM 935 CB ARG A 62 -9.101 16.650 -2.037 1.00 13.44 C ATOM 936 CG ARG A 62 -10.576 16.839 -1.717 1.00 21.00 C ATOM 937 CD ARG A 62 -11.102 18.154 -2.269 1.00 11.44 C ATOM 938 NE ARG A 62 -12.402 17.995 -2.915 1.00 43.41 N ATOM 939 CZ ARG A 62 -12.976 18.939 -3.653 1.00 55.05 C ATOM 940 NH1 ARG A 62 -12.368 20.102 -3.839 1.00 21.15 N ATOM 941 NH2 ARG A 62 -14.160 18.719 -4.209 1.00 13.10 N ATOM 0 H ARG A 62 -6.724 15.851 -2.502 1.00 34.21 H new ATOM 0 HA ARG A 62 -9.104 14.627 -1.312 1.00 45.22 H new ATOM 0 HB2 ARG A 62 -8.505 17.131 -1.262 1.00 13.44 H new ATOM 0 HB3 ARG A 62 -8.873 17.157 -2.975 1.00 13.44 H new ATOM 0 HG2 ARG A 62 -11.149 16.012 -2.136 1.00 21.00 H new ATOM 0 HG3 ARG A 62 -10.721 16.812 -0.637 1.00 21.00 H new ATOM 0 HD2 ARG A 62 -11.186 18.879 -1.460 1.00 11.44 H new ATOM 0 HD3 ARG A 62 -10.388 18.558 -2.986 1.00 11.44 H new ATOM 0 HE ARG A 62 -12.896 17.111 -2.793 1.00 43.41 H new ATOM 0 HH11 ARG A 62 -11.456 20.275 -3.415 1.00 21.15 H new ATOM 0 HH12 ARG A 62 -12.812 20.824 -4.406 1.00 21.15 H new ATOM 0 HH21 ARG A 62 -14.630 17.825 -4.070 1.00 13.10 H new ATOM 0 HH22 ARG A 62 -14.600 19.444 -4.775 1.00 13.10 H new ATOM 955 N PHE A 63 -8.876 15.217 -4.567 1.00 1.30 N ATOM 956 CA PHE A 63 -9.325 14.751 -5.874 1.00 32.14 C ATOM 957 C PHE A 63 -8.702 13.399 -6.212 1.00 15.15 C ATOM 958 O PHE A 63 -9.349 12.538 -6.806 1.00 64.31 O ATOM 959 CB PHE A 63 -8.968 15.774 -6.954 1.00 33.01 C ATOM 960 CG PHE A 63 -7.490 15.980 -7.120 1.00 4.01 C ATOM 961 CD1 PHE A 63 -6.821 16.931 -6.367 1.00 5.31 C ATOM 962 CD2 PHE A 63 -6.769 15.222 -8.028 1.00 23.34 C ATOM 963 CE1 PHE A 63 -5.460 17.123 -6.518 1.00 13.11 C ATOM 964 CE2 PHE A 63 -5.408 15.409 -8.184 1.00 30.13 C ATOM 965 CZ PHE A 63 -4.753 16.360 -7.427 1.00 1.21 C ATOM 0 H PHE A 63 -8.289 16.051 -4.596 1.00 1.30 H new ATOM 0 HA PHE A 63 -10.408 14.634 -5.838 1.00 32.14 H new ATOM 0 HB2 PHE A 63 -9.390 15.449 -7.905 1.00 33.01 H new ATOM 0 HB3 PHE A 63 -9.434 16.728 -6.708 1.00 33.01 H new ATOM 0 HD1 PHE A 63 -7.369 17.529 -5.654 1.00 5.31 H new ATOM 0 HD2 PHE A 63 -7.276 14.476 -8.621 1.00 23.34 H new ATOM 0 HE1 PHE A 63 -4.950 17.869 -5.926 1.00 13.11 H new ATOM 0 HE2 PHE A 63 -4.858 14.812 -8.897 1.00 30.13 H new ATOM 0 HZ PHE A 63 -3.690 16.507 -7.545 1.00 1.21 H new ATOM 975 N ASN A 64 -7.443 13.222 -5.827 1.00 41.15 N ATOM 976 CA ASN A 64 -6.731 11.976 -6.090 1.00 12.30 C ATOM 977 C ASN A 64 -7.473 10.788 -5.486 1.00 11.01 C ATOM 978 O ASN A 64 -7.403 9.671 -5.999 1.00 73.20 O ATOM 979 CB ASN A 64 -5.312 12.047 -5.524 1.00 64.54 C ATOM 980 CG ASN A 64 -4.252 11.895 -6.600 1.00 54.11 C ATOM 981 OD1 ASN A 64 -3.329 10.965 -6.394 1.00 51.04 O flip ATOM 982 ND2 ASN A 64 -4.266 12.607 -7.604 1.00 24.15 N flip ATOM 0 H ASN A 64 -6.894 13.925 -5.332 1.00 41.15 H new ATOM 0 HA ASN A 64 -6.678 11.837 -7.170 1.00 12.30 H new ATOM 0 HB2 ASN A 64 -5.174 13.001 -5.014 1.00 64.54 H new ATOM 0 HB3 ASN A 64 -5.182 11.264 -4.777 1.00 64.54 H new ATOM 0 HD21 ASN A 64 -4.996 13.310 -7.721 1.00 24.15 H new ATOM 0 HD22 ASN A 64 -3.548 12.494 -8.319 1.00 24.15 H new ATOM 989 N LYS A 65 -8.187 11.037 -4.392 1.00 44.21 N ATOM 990 CA LYS A 65 -8.944 9.990 -3.718 1.00 25.12 C ATOM 991 C LYS A 65 -10.124 9.537 -4.571 1.00 31.31 C ATOM 992 O LYS A 65 -10.277 8.350 -4.859 1.00 25.15 O ATOM 993 CB LYS A 65 -9.444 10.488 -2.360 1.00 21.11 C ATOM 994 CG LYS A 65 -10.442 9.553 -1.698 1.00 55.35 C ATOM 995 CD LYS A 65 -9.872 8.155 -1.534 1.00 32.34 C ATOM 996 CE LYS A 65 -10.335 7.513 -0.235 1.00 0.15 C ATOM 997 NZ LYS A 65 -11.816 7.574 -0.083 1.00 51.20 N ATOM 0 H LYS A 65 -8.256 11.956 -3.954 1.00 44.21 H new ATOM 0 HA LYS A 65 -8.281 9.138 -3.565 1.00 25.12 H new ATOM 0 HB2 LYS A 65 -8.591 10.624 -1.696 1.00 21.11 H new ATOM 0 HB3 LYS A 65 -9.906 11.467 -2.489 1.00 21.11 H new ATOM 0 HG2 LYS A 65 -10.722 9.950 -0.722 1.00 55.35 H new ATOM 0 HG3 LYS A 65 -11.352 9.508 -2.296 1.00 55.35 H new ATOM 0 HD2 LYS A 65 -10.178 7.535 -2.377 1.00 32.34 H new ATOM 0 HD3 LYS A 65 -8.783 8.201 -1.551 1.00 32.34 H new ATOM 0 HE2 LYS A 65 -10.010 6.473 -0.208 1.00 0.15 H new ATOM 0 HE3 LYS A 65 -9.862 8.017 0.608 1.00 0.15 H new ATOM 0 HZ1 LYS A 65 -12.114 6.931 0.678 1.00 51.20 H new ATOM 0 HZ2 LYS A 65 -12.101 8.546 0.153 1.00 51.20 H new ATOM 0 HZ3 LYS A 65 -12.269 7.288 -0.975 1.00 51.20 H new ATOM 1011 N LYS A 66 -10.958 10.490 -4.973 1.00 43.42 N ATOM 1012 CA LYS A 66 -12.124 10.190 -5.796 1.00 4.03 C ATOM 1013 C LYS A 66 -11.709 9.528 -7.106 1.00 35.11 C ATOM 1014 O LYS A 66 -12.366 8.600 -7.579 1.00 11.13 O ATOM 1015 CB LYS A 66 -12.911 11.470 -6.086 1.00 50.02 C ATOM 1016 CG LYS A 66 -14.135 11.246 -6.957 1.00 35.21 C ATOM 1017 CD LYS A 66 -13.908 11.735 -8.377 1.00 24.02 C ATOM 1018 CE LYS A 66 -15.173 12.335 -8.970 1.00 52.43 C ATOM 1019 NZ LYS A 66 -15.561 11.664 -10.242 1.00 70.20 N ATOM 0 H LYS A 66 -10.848 11.477 -4.742 1.00 43.42 H new ATOM 0 HA LYS A 66 -12.759 9.497 -5.244 1.00 4.03 H new ATOM 0 HB2 LYS A 66 -13.224 11.916 -5.142 1.00 50.02 H new ATOM 0 HB3 LYS A 66 -12.253 12.188 -6.576 1.00 50.02 H new ATOM 0 HG2 LYS A 66 -14.382 10.184 -6.972 1.00 35.21 H new ATOM 0 HG3 LYS A 66 -14.990 11.766 -6.525 1.00 35.21 H new ATOM 0 HD2 LYS A 66 -13.113 12.481 -8.383 1.00 24.02 H new ATOM 0 HD3 LYS A 66 -13.572 10.905 -8.999 1.00 24.02 H new ATOM 0 HE2 LYS A 66 -15.988 12.249 -8.251 1.00 52.43 H new ATOM 0 HE3 LYS A 66 -15.020 13.399 -9.152 1.00 52.43 H new ATOM 0 HZ1 LYS A 66 -16.428 12.101 -10.615 1.00 70.20 H new ATOM 0 HZ2 LYS A 66 -14.794 11.768 -10.937 1.00 70.20 H new ATOM 0 HZ3 LYS A 66 -15.732 10.654 -10.063 1.00 70.20 H new ATOM 1033 N ARG A 67 -10.615 10.010 -7.687 1.00 72.15 N ATOM 1034 CA ARG A 67 -10.114 9.464 -8.943 1.00 74.44 C ATOM 1035 C ARG A 67 -9.653 8.021 -8.763 1.00 3.22 C ATOM 1036 O ARG A 67 -10.198 7.102 -9.375 1.00 73.31 O ATOM 1037 CB ARG A 67 -8.959 10.318 -9.469 1.00 53.15 C ATOM 1038 CG ARG A 67 -9.184 10.846 -10.877 1.00 55.21 C ATOM 1039 CD ARG A 67 -8.754 12.299 -11.002 1.00 54.51 C ATOM 1040 NE ARG A 67 -8.071 12.562 -12.265 1.00 75.44 N ATOM 1041 CZ ARG A 67 -8.702 12.703 -13.426 1.00 11.20 C ATOM 1042 NH1 ARG A 67 -10.024 12.609 -13.483 1.00 5.24 N ATOM 1043 NH2 ARG A 67 -8.011 12.940 -14.534 1.00 64.10 N ATOM 0 H ARG A 67 -10.059 10.777 -7.308 1.00 72.15 H new ATOM 0 HA ARG A 67 -10.928 9.479 -9.668 1.00 74.44 H new ATOM 0 HB2 ARG A 67 -8.805 11.160 -8.795 1.00 53.15 H new ATOM 0 HB3 ARG A 67 -8.044 9.726 -9.454 1.00 53.15 H new ATOM 0 HG2 ARG A 67 -8.626 10.238 -11.588 1.00 55.21 H new ATOM 0 HG3 ARG A 67 -10.238 10.754 -11.137 1.00 55.21 H new ATOM 0 HD2 ARG A 67 -9.629 12.944 -10.922 1.00 54.51 H new ATOM 0 HD3 ARG A 67 -8.094 12.554 -10.173 1.00 54.51 H new ATOM 0 HE ARG A 67 -7.054 12.642 -12.256 1.00 75.44 H new ATOM 0 HH11 ARG A 67 -10.559 12.428 -12.634 1.00 5.24 H new ATOM 0 HH12 ARG A 67 -10.505 12.718 -14.376 1.00 5.24 H new ATOM 0 HH21 ARG A 67 -6.994 13.014 -14.495 1.00 64.10 H new ATOM 0 HH22 ARG A 67 -8.496 13.048 -15.425 1.00 64.10 H new ATOM 1057 N LEU A 68 -8.645 7.829 -7.919 1.00 32.34 N ATOM 1058 CA LEU A 68 -8.110 6.497 -7.657 1.00 10.32 C ATOM 1059 C LEU A 68 -9.226 5.521 -7.299 1.00 50.00 C ATOM 1060 O LEU A 68 -9.189 4.353 -7.684 1.00 45.22 O ATOM 1061 CB LEU A 68 -7.083 6.552 -6.525 1.00 12.04 C ATOM 1062 CG LEU A 68 -5.625 6.737 -6.948 1.00 51.03 C ATOM 1063 CD1 LEU A 68 -5.487 7.933 -7.876 1.00 40.51 C ATOM 1064 CD2 LEU A 68 -4.731 6.901 -5.728 1.00 33.03 C ATOM 0 H LEU A 68 -8.182 8.578 -7.405 1.00 32.34 H new ATOM 0 HA LEU A 68 -7.622 6.144 -8.566 1.00 10.32 H new ATOM 0 HB2 LEU A 68 -7.353 7.370 -5.856 1.00 12.04 H new ATOM 0 HB3 LEU A 68 -7.159 5.630 -5.948 1.00 12.04 H new ATOM 0 HG LEU A 68 -5.308 5.845 -7.488 1.00 51.03 H new ATOM 0 HD11 LEU A 68 -4.443 8.049 -8.167 1.00 40.51 H new ATOM 0 HD12 LEU A 68 -6.096 7.775 -8.766 1.00 40.51 H new ATOM 0 HD13 LEU A 68 -5.823 8.833 -7.362 1.00 40.51 H new ATOM 0 HD21 LEU A 68 -3.698 7.031 -6.049 1.00 33.03 H new ATOM 0 HD22 LEU A 68 -5.048 7.776 -5.160 1.00 33.03 H new ATOM 0 HD23 LEU A 68 -4.806 6.014 -5.100 1.00 33.03 H new ATOM 1076 N GLU A 69 -10.219 6.011 -6.562 1.00 61.41 N ATOM 1077 CA GLU A 69 -11.346 5.181 -6.154 1.00 75.12 C ATOM 1078 C GLU A 69 -12.253 4.872 -7.343 1.00 24.41 C ATOM 1079 O GLU A 69 -12.609 3.718 -7.580 1.00 33.52 O ATOM 1080 CB GLU A 69 -12.150 5.879 -5.055 1.00 74.11 C ATOM 1081 CG GLU A 69 -11.631 5.603 -3.654 1.00 11.22 C ATOM 1082 CD GLU A 69 -12.267 4.378 -3.027 1.00 11.12 C ATOM 1083 OE1 GLU A 69 -13.453 4.456 -2.641 1.00 42.25 O ATOM 1084 OE2 GLU A 69 -11.581 3.341 -2.921 1.00 25.11 O ATOM 0 H GLU A 69 -10.265 6.976 -6.236 1.00 61.41 H new ATOM 0 HA GLU A 69 -10.951 4.242 -5.766 1.00 75.12 H new ATOM 0 HB2 GLU A 69 -12.136 6.954 -5.233 1.00 74.11 H new ATOM 0 HB3 GLU A 69 -13.190 5.559 -5.118 1.00 74.11 H new ATOM 0 HG2 GLU A 69 -10.550 5.468 -3.691 1.00 11.22 H new ATOM 0 HG3 GLU A 69 -11.822 6.471 -3.022 1.00 11.22 H new ATOM 1091 N GLU A 70 -12.619 5.910 -8.086 1.00 14.34 N ATOM 1092 CA GLU A 70 -13.485 5.750 -9.248 1.00 70.21 C ATOM 1093 C GLU A 70 -12.795 4.923 -10.330 1.00 45.33 C ATOM 1094 O GLU A 70 -13.444 4.406 -11.239 1.00 63.22 O ATOM 1095 CB GLU A 70 -13.881 7.117 -9.811 1.00 32.24 C ATOM 1096 CG GLU A 70 -14.838 7.888 -8.917 1.00 2.41 C ATOM 1097 CD GLU A 70 -16.291 7.564 -9.202 1.00 71.22 C ATOM 1098 OE1 GLU A 70 -16.757 7.866 -10.322 1.00 21.55 O ATOM 1099 OE2 GLU A 70 -16.963 7.011 -8.308 1.00 14.01 O ATOM 0 H GLU A 70 -12.330 6.871 -7.905 1.00 14.34 H new ATOM 0 HA GLU A 70 -14.384 5.223 -8.929 1.00 70.21 H new ATOM 0 HB2 GLU A 70 -12.981 7.712 -9.965 1.00 32.24 H new ATOM 0 HB3 GLU A 70 -14.342 6.978 -10.789 1.00 32.24 H new ATOM 0 HG2 GLU A 70 -14.617 7.662 -7.874 1.00 2.41 H new ATOM 0 HG3 GLU A 70 -14.675 8.957 -9.053 1.00 2.41 H new ATOM 1106 N ILE A 71 -11.475 4.805 -10.224 1.00 54.11 N ATOM 1107 CA ILE A 71 -10.697 4.042 -11.192 1.00 3.51 C ATOM 1108 C ILE A 71 -10.457 2.618 -10.704 1.00 11.24 C ATOM 1109 O ILE A 71 -10.487 1.667 -11.486 1.00 12.31 O ATOM 1110 CB ILE A 71 -9.339 4.711 -11.475 1.00 44.43 C ATOM 1111 CG1 ILE A 71 -9.547 6.123 -12.029 1.00 25.14 C ATOM 1112 CG2 ILE A 71 -8.526 3.870 -12.447 1.00 72.35 C ATOM 1113 CD1 ILE A 71 -8.399 7.063 -11.735 1.00 24.22 C ATOM 0 H ILE A 71 -10.923 5.228 -9.478 1.00 54.11 H new ATOM 0 HA ILE A 71 -11.279 4.015 -12.113 1.00 3.51 H new ATOM 0 HB ILE A 71 -8.786 4.786 -10.539 1.00 44.43 H new ATOM 0 HG12 ILE A 71 -9.690 6.064 -13.108 1.00 25.14 H new ATOM 0 HG13 ILE A 71 -10.463 6.538 -11.608 1.00 25.14 H new ATOM 0 HG21 ILE A 71 -7.569 4.356 -12.637 1.00 72.35 H new ATOM 0 HG22 ILE A 71 -8.353 2.883 -12.018 1.00 72.35 H new ATOM 0 HG23 ILE A 71 -9.073 3.767 -13.384 1.00 72.35 H new ATOM 0 HD11 ILE A 71 -8.615 8.044 -12.157 1.00 24.22 H new ATOM 0 HD12 ILE A 71 -8.269 7.152 -10.656 1.00 24.22 H new ATOM 0 HD13 ILE A 71 -7.484 6.670 -12.179 1.00 24.22 H new ATOM 1125 N THR A 72 -10.220 2.476 -9.403 1.00 72.30 N ATOM 1126 CA THR A 72 -9.975 1.167 -8.810 1.00 13.25 C ATOM 1127 C THR A 72 -11.231 0.304 -8.844 1.00 11.44 C ATOM 1128 O THR A 72 -11.162 -0.903 -9.077 1.00 54.33 O ATOM 1129 CB THR A 72 -9.492 1.293 -7.352 1.00 0.41 C ATOM 1130 OG1 THR A 72 -10.301 2.242 -6.649 1.00 1.33 O ATOM 1131 CG2 THR A 72 -8.034 1.725 -7.301 1.00 32.23 C ATOM 0 H THR A 72 -10.193 3.251 -8.741 1.00 72.30 H new ATOM 0 HA THR A 72 -9.195 0.692 -9.404 1.00 13.25 H new ATOM 0 HB THR A 72 -9.582 0.316 -6.876 1.00 0.41 H new ATOM 0 HG1 THR A 72 -9.954 3.145 -6.803 1.00 1.33 H new ATOM 0 HG21 THR A 72 -7.715 1.807 -6.262 1.00 32.23 H new ATOM 0 HG22 THR A 72 -7.417 0.986 -7.812 1.00 32.23 H new ATOM 0 HG23 THR A 72 -7.924 2.692 -7.792 1.00 32.23 H new ATOM 1139 N LYS A 73 -12.380 0.930 -8.611 1.00 2.50 N ATOM 1140 CA LYS A 73 -13.654 0.221 -8.617 1.00 11.52 C ATOM 1141 C LYS A 73 -13.808 -0.610 -9.887 1.00 21.12 C ATOM 1142 O LYS A 73 -13.931 -1.834 -9.845 1.00 14.33 O ATOM 1143 CB LYS A 73 -14.814 1.212 -8.499 1.00 13.41 C ATOM 1144 CG LYS A 73 -15.583 1.097 -7.194 1.00 41.44 C ATOM 1145 CD LYS A 73 -17.057 1.412 -7.386 1.00 65.52 C ATOM 1146 CE LYS A 73 -17.709 1.842 -6.081 1.00 13.11 C ATOM 1147 NZ LYS A 73 -18.463 3.118 -6.232 1.00 63.13 N ATOM 0 H LYS A 73 -12.455 1.928 -8.415 1.00 2.50 H new ATOM 0 HA LYS A 73 -13.671 -0.452 -7.759 1.00 11.52 H new ATOM 0 HB2 LYS A 73 -14.425 2.226 -8.594 1.00 13.41 H new ATOM 0 HB3 LYS A 73 -15.501 1.055 -9.331 1.00 13.41 H new ATOM 0 HG2 LYS A 73 -15.475 0.089 -6.794 1.00 41.44 H new ATOM 0 HG3 LYS A 73 -15.157 1.779 -6.458 1.00 41.44 H new ATOM 0 HD2 LYS A 73 -17.168 2.203 -8.127 1.00 65.52 H new ATOM 0 HD3 LYS A 73 -17.570 0.534 -7.778 1.00 65.52 H new ATOM 0 HE2 LYS A 73 -18.385 1.059 -5.737 1.00 13.11 H new ATOM 0 HE3 LYS A 73 -16.943 1.961 -5.314 1.00 13.11 H new ATOM 0 HZ1 LYS A 73 -18.893 3.377 -5.321 1.00 63.13 H new ATOM 0 HZ2 LYS A 73 -17.813 3.871 -6.535 1.00 63.13 H new ATOM 0 HZ3 LYS A 73 -19.210 2.997 -6.945 1.00 63.13 H new ATOM 1161 N PRO A 74 -13.798 0.069 -11.044 1.00 32.51 N ATOM 1162 CA PRO A 74 -13.934 -0.588 -12.347 1.00 62.31 C ATOM 1163 C PRO A 74 -12.705 -1.416 -12.710 1.00 21.31 C ATOM 1164 O PRO A 74 -12.817 -2.472 -13.334 1.00 40.21 O ATOM 1165 CB PRO A 74 -14.094 0.583 -13.319 1.00 12.21 C ATOM 1166 CG PRO A 74 -13.430 1.733 -12.641 1.00 32.40 C ATOM 1167 CD PRO A 74 -13.654 1.529 -11.168 1.00 41.13 C ATOM 0 HA PRO A 74 -14.766 -1.291 -12.364 1.00 62.31 H new ATOM 0 HB2 PRO A 74 -13.627 0.367 -14.280 1.00 12.21 H new ATOM 0 HB3 PRO A 74 -15.145 0.793 -13.516 1.00 12.21 H new ATOM 0 HG2 PRO A 74 -12.366 1.762 -12.874 1.00 32.40 H new ATOM 0 HG3 PRO A 74 -13.855 2.680 -12.973 1.00 32.40 H new ATOM 0 HD2 PRO A 74 -12.816 1.902 -10.579 1.00 41.13 H new ATOM 0 HD3 PRO A 74 -14.545 2.052 -10.821 1.00 41.13 H new ATOM 1175 N LYS A 75 -11.533 -0.931 -12.314 1.00 23.11 N ATOM 1176 CA LYS A 75 -10.283 -1.627 -12.595 1.00 65.24 C ATOM 1177 C LYS A 75 -10.233 -2.971 -11.874 1.00 13.43 C ATOM 1178 O LYS A 75 -9.548 -3.894 -12.309 1.00 20.42 O ATOM 1179 CB LYS A 75 -9.090 -0.766 -12.174 1.00 51.21 C ATOM 1180 CG LYS A 75 -7.745 -1.374 -12.529 1.00 31.52 C ATOM 1181 CD LYS A 75 -6.898 -0.416 -13.349 1.00 53.04 C ATOM 1182 CE LYS A 75 -5.537 -1.012 -13.675 1.00 34.30 C ATOM 1183 NZ LYS A 75 -5.642 -2.132 -14.651 1.00 34.32 N ATOM 0 H LYS A 75 -11.423 -0.058 -11.797 1.00 23.11 H new ATOM 0 HA LYS A 75 -10.232 -1.809 -13.669 1.00 65.24 H new ATOM 0 HB2 LYS A 75 -9.173 0.212 -12.648 1.00 51.21 H new ATOM 0 HB3 LYS A 75 -9.133 -0.603 -11.097 1.00 51.21 H new ATOM 0 HG2 LYS A 75 -7.213 -1.641 -11.616 1.00 31.52 H new ATOM 0 HG3 LYS A 75 -7.898 -2.296 -13.089 1.00 31.52 H new ATOM 0 HD2 LYS A 75 -7.419 -0.169 -14.274 1.00 53.04 H new ATOM 0 HD3 LYS A 75 -6.766 0.516 -12.799 1.00 53.04 H new ATOM 0 HE2 LYS A 75 -4.888 -0.236 -14.081 1.00 34.30 H new ATOM 0 HE3 LYS A 75 -5.069 -1.371 -12.759 1.00 34.30 H new ATOM 0 HZ1 LYS A 75 -4.689 -2.444 -14.925 1.00 34.32 H new ATOM 0 HZ2 LYS A 75 -6.154 -2.925 -14.215 1.00 34.32 H new ATOM 0 HZ3 LYS A 75 -6.156 -1.810 -15.495 1.00 34.32 H new ATOM 1197 N GLY A 76 -10.966 -3.071 -10.769 1.00 13.01 N ATOM 1198 CA GLY A 76 -10.993 -4.306 -10.006 1.00 54.31 C ATOM 1199 C GLY A 76 -9.618 -4.714 -9.515 1.00 42.42 C ATOM 1200 O GLY A 76 -9.094 -5.754 -9.911 1.00 71.51 O ATOM 0 H GLY A 76 -11.541 -2.319 -10.389 1.00 13.01 H new ATOM 0 HA2 GLY A 76 -11.660 -4.187 -9.152 1.00 54.31 H new ATOM 0 HA3 GLY A 76 -11.406 -5.103 -10.625 1.00 54.31 H new ATOM 1204 N ILE A 77 -9.032 -3.890 -8.651 1.00 61.14 N ATOM 1205 CA ILE A 77 -7.710 -4.171 -8.107 1.00 32.53 C ATOM 1206 C ILE A 77 -7.687 -3.981 -6.594 1.00 62.32 C ATOM 1207 O ILE A 77 -8.473 -3.224 -6.027 1.00 0.23 O ATOM 1208 CB ILE A 77 -6.636 -3.269 -8.743 1.00 3.11 C ATOM 1209 CG1 ILE A 77 -7.048 -1.799 -8.641 1.00 30.23 C ATOM 1210 CG2 ILE A 77 -6.407 -3.661 -10.195 1.00 53.11 C ATOM 1211 CD1 ILE A 77 -6.060 -0.947 -7.876 1.00 11.40 C ATOM 0 H ILE A 77 -9.452 -3.024 -8.314 1.00 61.14 H new ATOM 0 HA ILE A 77 -7.486 -5.211 -8.344 1.00 32.53 H new ATOM 0 HB ILE A 77 -5.701 -3.403 -8.199 1.00 3.11 H new ATOM 0 HG12 ILE A 77 -7.165 -1.392 -9.645 1.00 30.23 H new ATOM 0 HG13 ILE A 77 -8.022 -1.736 -8.156 1.00 30.23 H new ATOM 0 HG21 ILE A 77 -5.645 -3.014 -10.631 1.00 53.11 H new ATOM 0 HG22 ILE A 77 -6.074 -4.698 -10.244 1.00 53.11 H new ATOM 0 HG23 ILE A 77 -7.337 -3.552 -10.752 1.00 53.11 H new ATOM 0 HD11 ILE A 77 -6.416 0.083 -7.843 1.00 11.40 H new ATOM 0 HD12 ILE A 77 -5.961 -1.329 -6.860 1.00 11.40 H new ATOM 0 HD13 ILE A 77 -5.090 -0.980 -8.373 1.00 11.40 H new ATOM 1223 N PRO A 78 -6.762 -4.685 -5.924 1.00 4.44 N ATOM 1224 CA PRO A 78 -6.612 -4.609 -4.468 1.00 44.50 C ATOM 1225 C PRO A 78 -6.061 -3.262 -4.011 1.00 20.31 C ATOM 1226 O PRO A 78 -4.861 -3.005 -4.117 1.00 15.14 O ATOM 1227 CB PRO A 78 -5.616 -5.729 -4.154 1.00 41.54 C ATOM 1228 CG PRO A 78 -4.837 -5.904 -5.413 1.00 23.35 C ATOM 1229 CD PRO A 78 -5.791 -5.608 -6.536 1.00 54.30 C ATOM 0 HA PRO A 78 -7.568 -4.714 -3.954 1.00 44.50 H new ATOM 0 HB2 PRO A 78 -4.967 -5.460 -3.321 1.00 41.54 H new ATOM 0 HB3 PRO A 78 -6.129 -6.649 -3.874 1.00 41.54 H new ATOM 0 HG2 PRO A 78 -3.982 -5.229 -5.440 1.00 23.35 H new ATOM 0 HG3 PRO A 78 -4.445 -6.918 -5.491 1.00 23.35 H new ATOM 0 HD2 PRO A 78 -5.283 -5.151 -7.385 1.00 54.30 H new ATOM 0 HD3 PRO A 78 -6.274 -6.514 -6.903 1.00 54.30 H new ATOM 1237 N ILE A 79 -6.943 -2.408 -3.503 1.00 75.33 N ATOM 1238 CA ILE A 79 -6.543 -1.089 -3.030 1.00 22.33 C ATOM 1239 C ILE A 79 -7.082 -0.822 -1.628 1.00 75.51 C ATOM 1240 O ILE A 79 -8.277 -0.972 -1.373 1.00 44.44 O ATOM 1241 CB ILE A 79 -7.034 0.022 -3.977 1.00 1.04 C ATOM 1242 CG1 ILE A 79 -6.668 1.398 -3.416 1.00 62.02 C ATOM 1243 CG2 ILE A 79 -8.536 -0.088 -4.188 1.00 72.25 C ATOM 1244 CD1 ILE A 79 -5.186 1.580 -3.182 1.00 24.22 C ATOM 0 H ILE A 79 -7.939 -2.606 -3.409 1.00 75.33 H new ATOM 0 HA ILE A 79 -5.453 -1.079 -3.006 1.00 22.33 H new ATOM 0 HB ILE A 79 -6.542 -0.099 -4.942 1.00 1.04 H new ATOM 0 HG12 ILE A 79 -7.016 2.167 -4.106 1.00 62.02 H new ATOM 0 HG13 ILE A 79 -7.198 1.551 -2.476 1.00 62.02 H new ATOM 0 HG21 ILE A 79 -8.868 0.704 -4.859 1.00 72.25 H new ATOM 0 HG22 ILE A 79 -8.772 -1.058 -4.626 1.00 72.25 H new ATOM 0 HG23 ILE A 79 -9.046 0.011 -3.230 1.00 72.25 H new ATOM 0 HD11 ILE A 79 -5.000 2.578 -2.784 1.00 24.22 H new ATOM 0 HD12 ILE A 79 -4.836 0.834 -2.469 1.00 24.22 H new ATOM 0 HD13 ILE A 79 -4.651 1.460 -4.124 1.00 24.22 H new ATOM 1256 N GLU A 80 -6.193 -0.424 -0.724 1.00 42.04 N ATOM 1257 CA GLU A 80 -6.580 -0.135 0.651 1.00 24.03 C ATOM 1258 C GLU A 80 -6.289 1.321 1.004 1.00 34.40 C ATOM 1259 O GLU A 80 -5.463 1.972 0.364 1.00 13.11 O ATOM 1260 CB GLU A 80 -5.840 -1.063 1.618 1.00 14.44 C ATOM 1261 CG GLU A 80 -6.525 -2.404 1.819 1.00 64.42 C ATOM 1262 CD GLU A 80 -6.933 -3.051 0.510 1.00 63.32 C ATOM 1263 OE1 GLU A 80 -6.072 -3.173 -0.387 1.00 30.15 O ATOM 1264 OE2 GLU A 80 -8.114 -3.438 0.382 1.00 5.43 O ATOM 0 H GLU A 80 -5.200 -0.294 -0.919 1.00 42.04 H new ATOM 0 HA GLU A 80 -7.653 -0.306 0.743 1.00 24.03 H new ATOM 0 HB2 GLU A 80 -4.830 -1.233 1.244 1.00 14.44 H new ATOM 0 HB3 GLU A 80 -5.743 -0.566 2.583 1.00 14.44 H new ATOM 0 HG2 GLU A 80 -5.854 -3.073 2.358 1.00 64.42 H new ATOM 0 HG3 GLU A 80 -7.408 -2.267 2.443 1.00 64.42 H new ATOM 1271 N ILE A 81 -6.976 1.824 2.025 1.00 43.45 N ATOM 1272 CA ILE A 81 -6.792 3.203 2.461 1.00 31.34 C ATOM 1273 C ILE A 81 -6.391 3.264 3.932 1.00 64.22 C ATOM 1274 O ILE A 81 -7.121 2.796 4.805 1.00 21.43 O ATOM 1275 CB ILE A 81 -8.072 4.035 2.256 1.00 71.52 C ATOM 1276 CG1 ILE A 81 -8.472 4.038 0.779 1.00 14.33 C ATOM 1277 CG2 ILE A 81 -7.867 5.456 2.758 1.00 34.12 C ATOM 1278 CD1 ILE A 81 -9.328 2.856 0.382 1.00 21.21 C ATOM 0 H ILE A 81 -7.664 1.298 2.565 1.00 43.45 H new ATOM 0 HA ILE A 81 -5.994 3.623 1.849 1.00 31.34 H new ATOM 0 HB ILE A 81 -8.879 3.581 2.831 1.00 71.52 H new ATOM 0 HG12 ILE A 81 -9.013 4.958 0.560 1.00 14.33 H new ATOM 0 HG13 ILE A 81 -7.570 4.045 0.167 1.00 14.33 H new ATOM 0 HG21 ILE A 81 -8.780 6.031 2.606 1.00 34.12 H new ATOM 0 HG22 ILE A 81 -7.624 5.435 3.820 1.00 34.12 H new ATOM 0 HG23 ILE A 81 -7.049 5.922 2.208 1.00 34.12 H new ATOM 0 HD11 ILE A 81 -9.573 2.924 -0.678 1.00 21.21 H new ATOM 0 HD12 ILE A 81 -8.781 1.932 0.569 1.00 21.21 H new ATOM 0 HD13 ILE A 81 -10.247 2.859 0.968 1.00 21.21 H new ATOM 1290 N ILE A 82 -5.226 3.846 4.197 1.00 63.30 N ATOM 1291 CA ILE A 82 -4.728 3.970 5.561 1.00 50.51 C ATOM 1292 C ILE A 82 -5.524 5.011 6.344 1.00 70.54 C ATOM 1293 O ILE A 82 -5.594 6.175 5.953 1.00 0.04 O ATOM 1294 CB ILE A 82 -3.238 4.358 5.584 1.00 62.03 C ATOM 1295 CG1 ILE A 82 -2.440 3.456 4.640 1.00 42.32 C ATOM 1296 CG2 ILE A 82 -2.689 4.268 7.000 1.00 42.42 C ATOM 1297 CD1 ILE A 82 -0.974 3.820 4.552 1.00 33.31 C ATOM 0 H ILE A 82 -4.610 4.239 3.485 1.00 63.30 H new ATOM 0 HA ILE A 82 -4.848 2.994 6.030 1.00 50.51 H new ATOM 0 HB ILE A 82 -3.140 5.388 5.242 1.00 62.03 H new ATOM 0 HG12 ILE A 82 -2.530 2.423 4.975 1.00 42.32 H new ATOM 0 HG13 ILE A 82 -2.879 3.507 3.644 1.00 42.32 H new ATOM 0 HG21 ILE A 82 -1.635 4.545 7.000 1.00 42.42 H new ATOM 0 HG22 ILE A 82 -3.243 4.947 7.649 1.00 42.42 H new ATOM 0 HG23 ILE A 82 -2.796 3.247 7.367 1.00 42.42 H new ATOM 0 HD11 ILE A 82 -0.471 3.139 3.866 1.00 33.31 H new ATOM 0 HD12 ILE A 82 -0.874 4.842 4.187 1.00 33.31 H new ATOM 0 HD13 ILE A 82 -0.520 3.741 5.540 1.00 33.31 H new ATOM 1309 N ASN A 83 -6.120 4.580 7.451 1.00 53.44 N ATOM 1310 CA ASN A 83 -6.910 5.475 8.289 1.00 55.11 C ATOM 1311 C ASN A 83 -6.049 6.608 8.839 1.00 73.43 C ATOM 1312 O ASN A 83 -4.837 6.459 9.000 1.00 12.42 O ATOM 1313 CB ASN A 83 -7.547 4.697 9.443 1.00 62.13 C ATOM 1314 CG ASN A 83 -8.937 4.192 9.102 1.00 44.01 C ATOM 1315 OD1 ASN A 83 -9.804 4.962 8.688 1.00 3.15 O ATOM 1316 ND2 ASN A 83 -9.153 2.894 9.276 1.00 2.03 N ATOM 0 H ASN A 83 -6.071 3.619 7.788 1.00 53.44 H new ATOM 0 HA ASN A 83 -7.698 5.908 7.672 1.00 55.11 H new ATOM 0 HB2 ASN A 83 -6.910 3.852 9.703 1.00 62.13 H new ATOM 0 HB3 ASN A 83 -7.602 5.338 10.323 1.00 62.13 H new ATOM 0 HD21 ASN A 83 -10.068 2.496 9.064 1.00 2.03 H new ATOM 0 HD22 ASN A 83 -8.404 2.294 9.622 1.00 2.03 H new ATOM 1323 N THR A 84 -6.683 7.740 9.128 1.00 71.02 N ATOM 1324 CA THR A 84 -5.976 8.898 9.659 1.00 62.51 C ATOM 1325 C THR A 84 -5.139 8.520 10.876 1.00 31.43 C ATOM 1326 O THR A 84 -4.023 9.011 11.051 1.00 53.15 O ATOM 1327 CB THR A 84 -6.953 10.022 10.052 1.00 71.33 C ATOM 1328 OG1 THR A 84 -8.036 10.078 9.116 1.00 2.44 O ATOM 1329 CG2 THR A 84 -6.243 11.367 10.095 1.00 33.51 C ATOM 0 H THR A 84 -7.686 7.879 9.003 1.00 71.02 H new ATOM 0 HA THR A 84 -5.320 9.258 8.867 1.00 62.51 H new ATOM 0 HB THR A 84 -7.343 9.804 11.046 1.00 71.33 H new ATOM 0 HG1 THR A 84 -8.654 10.794 9.373 1.00 2.44 H new ATOM 0 HG21 THR A 84 -6.954 12.145 10.375 1.00 33.51 H new ATOM 0 HG22 THR A 84 -5.438 11.330 10.829 1.00 33.51 H new ATOM 0 HG23 THR A 84 -5.828 11.591 9.112 1.00 33.51 H new ATOM 1337 N ILE A 85 -5.683 7.645 11.714 1.00 31.15 N ATOM 1338 CA ILE A 85 -4.984 7.200 12.913 1.00 33.45 C ATOM 1339 C ILE A 85 -3.760 6.363 12.559 1.00 75.44 C ATOM 1340 O ILE A 85 -2.649 6.652 13.001 1.00 3.02 O ATOM 1341 CB ILE A 85 -5.909 6.376 13.830 1.00 64.03 C ATOM 1342 CG1 ILE A 85 -7.153 7.186 14.198 1.00 53.01 C ATOM 1343 CG2 ILE A 85 -5.162 5.942 15.083 1.00 53.13 C ATOM 1344 CD1 ILE A 85 -8.398 6.752 13.456 1.00 70.43 C ATOM 0 H ILE A 85 -6.606 7.230 11.585 1.00 31.15 H new ATOM 0 HA ILE A 85 -4.665 8.097 13.443 1.00 33.45 H new ATOM 0 HB ILE A 85 -6.227 5.483 13.292 1.00 64.03 H new ATOM 0 HG12 ILE A 85 -7.330 7.098 15.270 1.00 53.01 H new ATOM 0 HG13 ILE A 85 -6.965 8.240 13.991 1.00 53.01 H new ATOM 0 HG21 ILE A 85 -5.828 5.361 15.721 1.00 53.13 H new ATOM 0 HG22 ILE A 85 -4.304 5.331 14.802 1.00 53.13 H new ATOM 0 HG23 ILE A 85 -4.818 6.823 15.625 1.00 53.13 H new ATOM 0 HD11 ILE A 85 -9.241 7.370 13.767 1.00 70.43 H new ATOM 0 HD12 ILE A 85 -8.241 6.866 12.383 1.00 70.43 H new ATOM 0 HD13 ILE A 85 -8.611 5.707 13.682 1.00 70.43 H new ATOM 1356 N ASP A 86 -3.973 5.326 11.756 1.00 21.23 N ATOM 1357 CA ASP A 86 -2.886 4.448 11.338 1.00 72.42 C ATOM 1358 C ASP A 86 -1.729 5.253 10.756 1.00 40.32 C ATOM 1359 O ASP A 86 -0.562 4.958 11.013 1.00 42.21 O ATOM 1360 CB ASP A 86 -3.388 3.435 10.307 1.00 62.20 C ATOM 1361 CG ASP A 86 -3.986 2.200 10.953 1.00 65.35 C ATOM 1362 OD1 ASP A 86 -4.295 2.254 12.160 1.00 31.53 O ATOM 1363 OD2 ASP A 86 -4.141 1.180 10.249 1.00 35.23 O ATOM 0 H ASP A 86 -4.888 5.073 11.382 1.00 21.23 H new ATOM 0 HA ASP A 86 -2.526 3.913 12.217 1.00 72.42 H new ATOM 0 HB2 ASP A 86 -4.137 3.908 9.672 1.00 62.20 H new ATOM 0 HB3 ASP A 86 -2.562 3.139 9.660 1.00 62.20 H new ATOM 1368 N TYR A 87 -2.061 6.273 9.971 1.00 64.43 N ATOM 1369 CA TYR A 87 -1.049 7.119 9.349 1.00 33.32 C ATOM 1370 C TYR A 87 -0.434 8.071 10.369 1.00 11.15 C ATOM 1371 O TYR A 87 0.778 8.286 10.383 1.00 54.41 O ATOM 1372 CB TYR A 87 -1.660 7.916 8.195 1.00 13.00 C ATOM 1373 CG TYR A 87 -0.637 8.634 7.346 1.00 63.23 C ATOM 1374 CD1 TYR A 87 0.049 7.966 6.337 1.00 24.04 C ATOM 1375 CD2 TYR A 87 -0.353 9.978 7.551 1.00 64.03 C ATOM 1376 CE1 TYR A 87 0.987 8.617 5.559 1.00 12.15 C ATOM 1377 CE2 TYR A 87 0.582 10.637 6.776 1.00 40.52 C ATOM 1378 CZ TYR A 87 1.249 9.952 5.782 1.00 54.34 C ATOM 1379 OH TYR A 87 2.181 10.605 5.008 1.00 3.44 O ATOM 0 H TYR A 87 -3.022 6.533 9.751 1.00 64.43 H new ATOM 0 HA TYR A 87 -0.261 6.474 8.960 1.00 33.32 H new ATOM 0 HB2 TYR A 87 -2.235 7.240 7.562 1.00 13.00 H new ATOM 0 HB3 TYR A 87 -2.361 8.646 8.600 1.00 13.00 H new ATOM 0 HD1 TYR A 87 -0.155 6.921 6.159 1.00 24.04 H new ATOM 0 HD2 TYR A 87 -0.872 10.517 8.330 1.00 64.03 H new ATOM 0 HE1 TYR A 87 1.512 8.083 4.781 1.00 12.15 H new ATOM 0 HE2 TYR A 87 0.789 11.683 6.948 1.00 40.52 H new ATOM 0 HH TYR A 87 2.246 11.540 5.293 1.00 3.44 H new ATOM 1389 N GLY A 88 -1.279 8.638 11.226 1.00 51.34 N ATOM 1390 CA GLY A 88 -0.801 9.561 12.239 1.00 62.11 C ATOM 1391 C GLY A 88 0.209 8.923 13.173 1.00 71.12 C ATOM 1392 O GLY A 88 1.242 9.517 13.482 1.00 62.23 O ATOM 0 H GLY A 88 -2.286 8.474 11.236 1.00 51.34 H new ATOM 0 HA2 GLY A 88 -0.348 10.425 11.754 1.00 62.11 H new ATOM 0 HA3 GLY A 88 -1.647 9.929 12.820 1.00 62.11 H new ATOM 1396 N THR A 89 -0.091 7.710 13.626 1.00 62.32 N ATOM 1397 CA THR A 89 0.796 6.992 14.533 1.00 43.11 C ATOM 1398 C THR A 89 1.871 6.233 13.764 1.00 50.12 C ATOM 1399 O THR A 89 2.947 5.955 14.293 1.00 72.30 O ATOM 1400 CB THR A 89 0.015 6.000 15.415 1.00 4.11 C ATOM 1401 OG1 THR A 89 0.922 5.255 16.236 1.00 72.25 O ATOM 1402 CG2 THR A 89 -0.805 5.046 14.560 1.00 70.31 C ATOM 0 H THR A 89 -0.942 7.204 13.380 1.00 62.32 H new ATOM 0 HA THR A 89 1.268 7.739 15.171 1.00 43.11 H new ATOM 0 HB THR A 89 -0.664 6.569 16.050 1.00 4.11 H new ATOM 0 HG1 THR A 89 0.984 4.335 15.904 1.00 72.25 H new ATOM 0 HG21 THR A 89 -1.348 4.355 15.205 1.00 70.31 H new ATOM 0 HG22 THR A 89 -1.514 5.615 13.959 1.00 70.31 H new ATOM 0 HG23 THR A 89 -0.141 4.484 13.903 1.00 70.31 H new ATOM 1410 N MET A 90 1.574 5.901 12.511 1.00 4.33 N ATOM 1411 CA MET A 90 2.517 5.175 11.669 1.00 62.31 C ATOM 1412 C MET A 90 2.807 3.792 12.244 1.00 40.51 C ATOM 1413 O MET A 90 3.805 3.594 12.935 1.00 4.53 O ATOM 1414 CB MET A 90 3.820 5.965 11.528 1.00 73.51 C ATOM 1415 CG MET A 90 3.609 7.424 11.159 1.00 62.34 C ATOM 1416 SD MET A 90 5.144 8.256 10.707 1.00 24.53 S ATOM 1417 CE MET A 90 6.235 7.678 12.005 1.00 4.10 C ATOM 0 H MET A 90 0.688 6.123 12.057 1.00 4.33 H new ATOM 0 HA MET A 90 2.066 5.052 10.684 1.00 62.31 H new ATOM 0 HB2 MET A 90 4.371 5.912 12.467 1.00 73.51 H new ATOM 0 HB3 MET A 90 4.441 5.492 10.767 1.00 73.51 H new ATOM 0 HG2 MET A 90 2.908 7.486 10.327 1.00 62.34 H new ATOM 0 HG3 MET A 90 3.152 7.945 12.000 1.00 62.34 H new ATOM 0 HE1 MET A 90 7.116 8.318 12.052 1.00 4.10 H new ATOM 0 HE2 MET A 90 5.712 7.710 12.961 1.00 4.10 H new ATOM 0 HE3 MET A 90 6.542 6.654 11.793 1.00 4.10 H new ATOM 1427 N ASN A 91 1.928 2.839 11.953 1.00 73.11 N ATOM 1428 CA ASN A 91 2.089 1.474 12.442 1.00 5.53 C ATOM 1429 C ASN A 91 2.493 0.535 11.310 1.00 73.31 C ATOM 1430 O ASN A 91 1.645 0.036 10.572 1.00 43.44 O ATOM 1431 CB ASN A 91 0.791 0.986 13.088 1.00 24.43 C ATOM 1432 CG ASN A 91 0.824 1.088 14.602 1.00 74.25 C ATOM 1433 OD1 ASN A 91 1.096 2.152 15.156 1.00 1.05 O ATOM 1434 ND2 ASN A 91 0.545 -0.022 15.275 1.00 4.13 N ATOM 0 H ASN A 91 1.097 2.986 11.381 1.00 73.11 H new ATOM 0 HA ASN A 91 2.882 1.473 13.190 1.00 5.53 H new ATOM 0 HB2 ASN A 91 -0.045 1.572 12.705 1.00 24.43 H new ATOM 0 HB3 ASN A 91 0.612 -0.050 12.800 1.00 24.43 H new ATOM 0 HD21 ASN A 91 0.551 -0.015 16.295 1.00 4.13 H new ATOM 0 HD22 ASN A 91 0.325 -0.882 14.772 1.00 4.13 H new ATOM 1441 N GLY A 92 3.795 0.297 11.181 1.00 11.41 N ATOM 1442 CA GLY A 92 4.289 -0.582 10.137 1.00 72.10 C ATOM 1443 C GLY A 92 3.592 -1.928 10.136 1.00 53.41 C ATOM 1444 O GLY A 92 3.139 -2.398 9.093 1.00 22.20 O ATOM 0 H GLY A 92 4.516 0.697 11.781 1.00 11.41 H new ATOM 0 HA2 GLY A 92 4.150 -0.104 9.167 1.00 72.10 H new ATOM 0 HA3 GLY A 92 5.361 -0.731 10.269 1.00 72.10 H new ATOM 1448 N GLU A 93 3.508 -2.551 11.308 1.00 44.32 N ATOM 1449 CA GLU A 93 2.865 -3.852 11.436 1.00 33.04 C ATOM 1450 C GLU A 93 1.460 -3.825 10.842 1.00 62.33 C ATOM 1451 O GLU A 93 1.082 -4.708 10.071 1.00 64.12 O ATOM 1452 CB GLU A 93 2.799 -4.271 12.907 1.00 44.21 C ATOM 1453 CG GLU A 93 2.196 -5.649 13.122 1.00 44.14 C ATOM 1454 CD GLU A 93 2.253 -6.091 14.570 1.00 74.20 C ATOM 1455 OE1 GLU A 93 2.341 -5.216 15.456 1.00 41.45 O ATOM 1456 OE2 GLU A 93 2.209 -7.314 14.818 1.00 33.44 O ATOM 0 H GLU A 93 3.877 -2.175 12.181 1.00 44.32 H new ATOM 0 HA GLU A 93 3.461 -4.579 10.884 1.00 33.04 H new ATOM 0 HB2 GLU A 93 3.805 -4.255 13.326 1.00 44.21 H new ATOM 0 HB3 GLU A 93 2.212 -3.537 13.459 1.00 44.21 H new ATOM 0 HG2 GLU A 93 1.158 -5.643 12.788 1.00 44.14 H new ATOM 0 HG3 GLU A 93 2.726 -6.374 12.504 1.00 44.14 H new ATOM 1463 N LYS A 94 0.689 -2.806 11.205 1.00 50.10 N ATOM 1464 CA LYS A 94 -0.674 -2.662 10.707 1.00 22.25 C ATOM 1465 C LYS A 94 -0.686 -2.496 9.192 1.00 43.33 C ATOM 1466 O LYS A 94 -1.539 -3.054 8.502 1.00 21.21 O ATOM 1467 CB LYS A 94 -1.355 -1.461 11.368 1.00 23.20 C ATOM 1468 CG LYS A 94 -1.649 -1.664 12.844 1.00 34.11 C ATOM 1469 CD LYS A 94 -2.832 -2.595 13.054 1.00 42.31 C ATOM 1470 CE LYS A 94 -3.318 -2.562 14.495 1.00 33.21 C ATOM 1471 NZ LYS A 94 -3.501 -3.932 15.050 1.00 72.00 N ATOM 0 H LYS A 94 0.985 -2.067 11.843 1.00 50.10 H new ATOM 0 HA LYS A 94 -1.224 -3.569 10.959 1.00 22.25 H new ATOM 0 HB2 LYS A 94 -0.719 -0.583 11.250 1.00 23.20 H new ATOM 0 HB3 LYS A 94 -2.288 -1.251 10.846 1.00 23.20 H new ATOM 0 HG2 LYS A 94 -0.769 -2.075 13.338 1.00 34.11 H new ATOM 0 HG3 LYS A 94 -1.855 -0.701 13.311 1.00 34.11 H new ATOM 0 HD2 LYS A 94 -3.645 -2.307 12.388 1.00 42.31 H new ATOM 0 HD3 LYS A 94 -2.547 -3.613 12.788 1.00 42.31 H new ATOM 0 HE2 LYS A 94 -2.601 -2.015 15.108 1.00 33.21 H new ATOM 0 HE3 LYS A 94 -4.262 -2.020 14.548 1.00 33.21 H new ATOM 0 HZ1 LYS A 94 -3.833 -3.867 16.033 1.00 72.00 H new ATOM 0 HZ2 LYS A 94 -4.204 -4.446 14.481 1.00 72.00 H new ATOM 0 HZ3 LYS A 94 -2.595 -4.441 15.024 1.00 72.00 H new ATOM 1485 N VAL A 95 0.269 -1.725 8.677 1.00 35.34 N ATOM 1486 CA VAL A 95 0.369 -1.489 7.243 1.00 51.30 C ATOM 1487 C VAL A 95 0.605 -2.791 6.486 1.00 10.10 C ATOM 1488 O VAL A 95 -0.249 -3.240 5.719 1.00 24.44 O ATOM 1489 CB VAL A 95 1.507 -0.504 6.915 1.00 41.30 C ATOM 1490 CG1 VAL A 95 1.500 -0.151 5.436 1.00 72.05 C ATOM 1491 CG2 VAL A 95 1.391 0.748 7.771 1.00 14.32 C ATOM 0 H VAL A 95 0.983 -1.254 9.233 1.00 35.34 H new ATOM 0 HA VAL A 95 -0.580 -1.056 6.927 1.00 51.30 H new ATOM 0 HB VAL A 95 2.457 -0.986 7.143 1.00 41.30 H new ATOM 0 HG11 VAL A 95 2.311 0.546 5.224 1.00 72.05 H new ATOM 0 HG12 VAL A 95 1.636 -1.057 4.845 1.00 72.05 H new ATOM 0 HG13 VAL A 95 0.548 0.311 5.177 1.00 72.05 H new ATOM 0 HG21 VAL A 95 2.203 1.433 7.526 1.00 14.32 H new ATOM 0 HG22 VAL A 95 0.435 1.234 7.577 1.00 14.32 H new ATOM 0 HG23 VAL A 95 1.452 0.475 8.825 1.00 14.32 H new ATOM 1501 N LEU A 96 1.769 -3.393 6.705 1.00 22.02 N ATOM 1502 CA LEU A 96 2.118 -4.646 6.044 1.00 41.02 C ATOM 1503 C LEU A 96 1.018 -5.686 6.232 1.00 42.40 C ATOM 1504 O LEU A 96 0.677 -6.415 5.301 1.00 31.43 O ATOM 1505 CB LEU A 96 3.442 -5.182 6.591 1.00 1.15 C ATOM 1506 CG LEU A 96 3.559 -5.254 8.114 1.00 3.23 C ATOM 1507 CD1 LEU A 96 3.308 -6.672 8.602 1.00 11.43 C ATOM 1508 CD2 LEU A 96 4.928 -4.766 8.567 1.00 52.40 C ATOM 0 H LEU A 96 2.487 -3.034 7.335 1.00 22.02 H new ATOM 0 HA LEU A 96 2.226 -4.448 4.978 1.00 41.02 H new ATOM 0 HB2 LEU A 96 3.601 -6.182 6.187 1.00 1.15 H new ATOM 0 HB3 LEU A 96 4.249 -4.554 6.214 1.00 1.15 H new ATOM 0 HG LEU A 96 2.801 -4.603 8.549 1.00 3.23 H new ATOM 0 HD11 LEU A 96 3.395 -6.704 9.688 1.00 11.43 H new ATOM 0 HD12 LEU A 96 2.306 -6.985 8.309 1.00 11.43 H new ATOM 0 HD13 LEU A 96 4.042 -7.345 8.159 1.00 11.43 H new ATOM 0 HD21 LEU A 96 4.994 -4.824 9.653 1.00 52.40 H new ATOM 0 HD22 LEU A 96 5.702 -5.391 8.123 1.00 52.40 H new ATOM 0 HD23 LEU A 96 5.069 -3.733 8.250 1.00 52.40 H new ATOM 1520 N GLN A 97 0.468 -5.746 7.440 1.00 52.34 N ATOM 1521 CA GLN A 97 -0.594 -6.695 7.748 1.00 33.11 C ATOM 1522 C GLN A 97 -1.794 -6.488 6.829 1.00 23.04 C ATOM 1523 O GLN A 97 -2.320 -7.442 6.254 1.00 14.34 O ATOM 1524 CB GLN A 97 -1.026 -6.554 9.209 1.00 1.44 C ATOM 1525 CG GLN A 97 -0.151 -7.330 10.180 1.00 71.05 C ATOM 1526 CD GLN A 97 -0.326 -8.831 10.051 1.00 43.15 C ATOM 1527 OE1 GLN A 97 -1.240 -9.413 10.634 1.00 22.15 O ATOM 1528 NE2 GLN A 97 0.553 -9.466 9.284 1.00 2.00 N ATOM 0 H GLN A 97 0.740 -5.149 8.221 1.00 52.34 H new ATOM 0 HA GLN A 97 -0.205 -7.700 7.587 1.00 33.11 H new ATOM 0 HB2 GLN A 97 -1.012 -5.499 9.483 1.00 1.44 H new ATOM 0 HB3 GLN A 97 -2.056 -6.895 9.309 1.00 1.44 H new ATOM 0 HG2 GLN A 97 0.894 -7.074 10.006 1.00 71.05 H new ATOM 0 HG3 GLN A 97 -0.388 -7.027 11.200 1.00 71.05 H new ATOM 0 HE21 GLN A 97 1.295 -8.943 8.819 1.00 2.00 H new ATOM 0 HE22 GLN A 97 0.486 -10.476 9.160 1.00 2.00 H new ATOM 1537 N LEU A 98 -2.222 -5.237 6.696 1.00 24.14 N ATOM 1538 CA LEU A 98 -3.360 -4.905 5.847 1.00 43.24 C ATOM 1539 C LEU A 98 -3.088 -5.289 4.396 1.00 31.13 C ATOM 1540 O LEU A 98 -3.892 -5.973 3.763 1.00 3.30 O ATOM 1541 CB LEU A 98 -3.671 -3.410 5.940 1.00 22.13 C ATOM 1542 CG LEU A 98 -5.095 -3.046 6.363 1.00 61.54 C ATOM 1543 CD1 LEU A 98 -5.151 -1.615 6.873 1.00 33.23 C ATOM 1544 CD2 LEU A 98 -6.061 -3.238 5.202 1.00 24.34 C ATOM 0 H LEU A 98 -1.798 -4.437 7.165 1.00 24.14 H new ATOM 0 HA LEU A 98 -4.222 -5.473 6.198 1.00 43.24 H new ATOM 0 HB2 LEU A 98 -2.976 -2.958 6.648 1.00 22.13 H new ATOM 0 HB3 LEU A 98 -3.475 -2.957 4.968 1.00 22.13 H new ATOM 0 HG LEU A 98 -5.394 -3.711 7.173 1.00 61.54 H new ATOM 0 HD11 LEU A 98 -6.172 -1.374 7.169 1.00 33.23 H new ATOM 0 HD12 LEU A 98 -4.489 -1.509 7.732 1.00 33.23 H new ATOM 0 HD13 LEU A 98 -4.832 -0.935 6.083 1.00 33.23 H new ATOM 0 HD21 LEU A 98 -7.070 -2.974 5.520 1.00 24.34 H new ATOM 0 HD22 LEU A 98 -5.764 -2.598 4.372 1.00 24.34 H new ATOM 0 HD23 LEU A 98 -6.042 -4.280 4.882 1.00 24.34 H new ATOM 1556 N ALA A 99 -1.947 -4.847 3.876 1.00 71.10 N ATOM 1557 CA ALA A 99 -1.567 -5.148 2.501 1.00 34.12 C ATOM 1558 C ALA A 99 -1.653 -6.645 2.223 1.00 31.23 C ATOM 1559 O ALA A 99 -2.358 -7.077 1.310 1.00 0.12 O ATOM 1560 CB ALA A 99 -0.162 -4.638 2.219 1.00 44.35 C ATOM 0 H ALA A 99 -1.270 -4.280 4.386 1.00 71.10 H new ATOM 0 HA ALA A 99 -2.267 -4.641 1.837 1.00 34.12 H new ATOM 0 HB1 ALA A 99 0.109 -4.869 1.189 1.00 44.35 H new ATOM 0 HB2 ALA A 99 -0.130 -3.559 2.369 1.00 44.35 H new ATOM 0 HB3 ALA A 99 0.543 -5.120 2.897 1.00 44.35 H new ATOM 1566 N ILE A 100 -0.933 -7.432 3.015 1.00 3.20 N ATOM 1567 CA ILE A 100 -0.929 -8.881 2.854 1.00 31.01 C ATOM 1568 C ILE A 100 -2.346 -9.443 2.903 1.00 23.21 C ATOM 1569 O ILE A 100 -2.730 -10.259 2.066 1.00 1.02 O ATOM 1570 CB ILE A 100 -0.078 -9.566 3.940 1.00 55.43 C ATOM 1571 CG1 ILE A 100 1.360 -9.047 3.896 1.00 54.32 C ATOM 1572 CG2 ILE A 100 -0.108 -11.076 3.761 1.00 74.10 C ATOM 1573 CD1 ILE A 100 2.140 -9.320 5.162 1.00 11.34 C ATOM 0 H ILE A 100 -0.345 -7.091 3.775 1.00 3.20 H new ATOM 0 HA ILE A 100 -0.492 -9.089 1.877 1.00 31.01 H new ATOM 0 HB ILE A 100 -0.500 -9.327 4.916 1.00 55.43 H new ATOM 0 HG12 ILE A 100 1.878 -9.506 3.054 1.00 54.32 H new ATOM 0 HG13 ILE A 100 1.344 -7.973 3.713 1.00 54.32 H new ATOM 0 HG21 ILE A 100 0.498 -11.546 4.536 1.00 74.10 H new ATOM 0 HG22 ILE A 100 -1.136 -11.431 3.838 1.00 74.10 H new ATOM 0 HG23 ILE A 100 0.292 -11.334 2.781 1.00 74.10 H new ATOM 0 HD11 ILE A 100 3.150 -8.924 5.059 1.00 11.34 H new ATOM 0 HD12 ILE A 100 1.646 -8.838 6.005 1.00 11.34 H new ATOM 0 HD13 ILE A 100 2.187 -10.395 5.336 1.00 11.34 H new ATOM 1585 N ASN A 101 -3.119 -8.999 3.888 1.00 11.33 N ATOM 1586 CA ASN A 101 -4.494 -9.456 4.047 1.00 21.50 C ATOM 1587 C ASN A 101 -5.281 -9.272 2.753 1.00 60.11 C ATOM 1588 O ASN A 101 -5.984 -10.178 2.307 1.00 71.14 O ATOM 1589 CB ASN A 101 -5.179 -8.698 5.186 1.00 64.44 C ATOM 1590 CG ASN A 101 -4.913 -9.326 6.540 1.00 53.23 C ATOM 1591 OD1 ASN A 101 -4.261 -10.366 6.638 1.00 11.31 O ATOM 1592 ND2 ASN A 101 -5.421 -8.697 7.594 1.00 41.11 N ATOM 0 H ASN A 101 -2.816 -8.323 4.589 1.00 11.33 H new ATOM 0 HA ASN A 101 -4.471 -10.518 4.290 1.00 21.50 H new ATOM 0 HB2 ASN A 101 -4.831 -7.665 5.193 1.00 64.44 H new ATOM 0 HB3 ASN A 101 -6.254 -8.671 5.006 1.00 64.44 H new ATOM 0 HD21 ASN A 101 -5.277 -9.074 8.531 1.00 41.11 H new ATOM 0 HD22 ASN A 101 -5.955 -7.837 7.466 1.00 41.11 H new ATOM 1599 N ALA A 102 -5.157 -8.092 2.154 1.00 4.13 N ATOM 1600 CA ALA A 102 -5.853 -7.790 0.910 1.00 52.41 C ATOM 1601 C ALA A 102 -5.368 -8.687 -0.223 1.00 42.44 C ATOM 1602 O ALA A 102 -6.165 -9.197 -1.009 1.00 51.24 O ATOM 1603 CB ALA A 102 -5.666 -6.324 0.543 1.00 25.42 C ATOM 0 H ALA A 102 -4.581 -7.330 2.511 1.00 4.13 H new ATOM 0 HA ALA A 102 -6.915 -7.983 1.061 1.00 52.41 H new ATOM 0 HB1 ALA A 102 -6.191 -6.112 -0.388 1.00 25.42 H new ATOM 0 HB2 ALA A 102 -6.069 -5.696 1.338 1.00 25.42 H new ATOM 0 HB3 ALA A 102 -4.604 -6.113 0.417 1.00 25.42 H new ATOM 1609 N PHE A 103 -4.054 -8.873 -0.303 1.00 73.44 N ATOM 1610 CA PHE A 103 -3.462 -9.708 -1.342 1.00 42.13 C ATOM 1611 C PHE A 103 -4.056 -11.114 -1.315 1.00 51.40 C ATOM 1612 O PHE A 103 -4.455 -11.650 -2.348 1.00 61.40 O ATOM 1613 CB PHE A 103 -1.944 -9.780 -1.165 1.00 52.11 C ATOM 1614 CG PHE A 103 -1.250 -10.548 -2.253 1.00 3.10 C ATOM 1615 CD1 PHE A 103 -1.137 -10.019 -3.529 1.00 21.12 C ATOM 1616 CD2 PHE A 103 -0.710 -11.799 -2.000 1.00 4.54 C ATOM 1617 CE1 PHE A 103 -0.497 -10.723 -4.532 1.00 15.32 C ATOM 1618 CE2 PHE A 103 -0.069 -12.507 -2.999 1.00 42.44 C ATOM 1619 CZ PHE A 103 0.036 -11.969 -4.267 1.00 43.33 C ATOM 0 H PHE A 103 -3.379 -8.457 0.339 1.00 73.44 H new ATOM 0 HA PHE A 103 -3.687 -9.256 -2.308 1.00 42.13 H new ATOM 0 HB2 PHE A 103 -1.542 -8.768 -1.132 1.00 52.11 H new ATOM 0 HB3 PHE A 103 -1.720 -10.243 -0.204 1.00 52.11 H new ATOM 0 HD1 PHE A 103 -1.554 -9.046 -3.742 1.00 21.12 H new ATOM 0 HD2 PHE A 103 -0.791 -12.225 -1.011 1.00 4.54 H new ATOM 0 HE1 PHE A 103 -0.414 -10.299 -5.522 1.00 15.32 H new ATOM 0 HE2 PHE A 103 0.349 -13.480 -2.788 1.00 42.44 H new ATOM 0 HZ PHE A 103 0.534 -12.522 -5.050 1.00 43.33 H new ATOM 1629 N ASN A 104 -4.110 -11.703 -0.125 1.00 51.05 N ATOM 1630 CA ASN A 104 -4.654 -13.047 0.038 1.00 72.13 C ATOM 1631 C ASN A 104 -6.152 -13.066 -0.249 1.00 3.42 C ATOM 1632 O ASN A 104 -6.626 -13.842 -1.078 1.00 23.12 O ATOM 1633 CB ASN A 104 -4.387 -13.560 1.455 1.00 53.52 C ATOM 1634 CG ASN A 104 -3.015 -13.163 1.964 1.00 52.42 C ATOM 1635 OD1 ASN A 104 -2.870 -12.708 3.099 1.00 2.41 O ATOM 1636 ND2 ASN A 104 -2.000 -13.333 1.126 1.00 73.54 N ATOM 0 H ASN A 104 -3.784 -11.272 0.740 1.00 51.05 H new ATOM 0 HA ASN A 104 -4.157 -13.702 -0.677 1.00 72.13 H new ATOM 0 HB2 ASN A 104 -5.149 -13.169 2.130 1.00 53.52 H new ATOM 0 HB3 ASN A 104 -4.476 -14.646 1.468 1.00 53.52 H new ATOM 0 HD21 ASN A 104 -1.054 -13.083 1.414 1.00 73.54 H new ATOM 0 HD22 ASN A 104 -2.166 -13.713 0.194 1.00 73.54 H new ATOM 1643 N ASN A 105 -6.893 -12.205 0.442 1.00 4.53 N ATOM 1644 CA ASN A 105 -8.337 -12.123 0.262 1.00 1.43 C ATOM 1645 C ASN A 105 -8.693 -11.958 -1.212 1.00 42.20 C ATOM 1646 O ASN A 105 -9.633 -12.577 -1.709 1.00 33.34 O ATOM 1647 CB ASN A 105 -8.907 -10.954 1.070 1.00 70.34 C ATOM 1648 CG ASN A 105 -9.679 -11.417 2.290 1.00 33.05 C ATOM 1649 OD1 ASN A 105 -10.447 -12.377 2.225 1.00 14.42 O ATOM 1650 ND2 ASN A 105 -9.478 -10.734 3.411 1.00 12.12 N ATOM 0 H ASN A 105 -6.516 -11.555 1.132 1.00 4.53 H new ATOM 0 HA ASN A 105 -8.776 -13.053 0.622 1.00 1.43 H new ATOM 0 HB2 ASN A 105 -8.092 -10.302 1.385 1.00 70.34 H new ATOM 0 HB3 ASN A 105 -9.562 -10.360 0.432 1.00 70.34 H new ATOM 0 HD21 ASN A 105 -9.970 -10.999 4.265 1.00 12.12 H new ATOM 0 HD22 ASN A 105 -8.832 -9.945 3.418 1.00 12.12 H new ATOM 1657 N LYS A 106 -7.934 -11.117 -1.907 1.00 75.22 N ATOM 1658 CA LYS A 106 -8.167 -10.871 -3.326 1.00 2.21 C ATOM 1659 C LYS A 106 -9.538 -10.240 -3.551 1.00 30.14 C ATOM 1660 O LYS A 106 -10.340 -10.131 -2.625 1.00 13.04 O ATOM 1661 CB LYS A 106 -8.059 -12.176 -4.117 1.00 30.45 C ATOM 1662 CG LYS A 106 -6.795 -12.278 -4.953 1.00 72.24 C ATOM 1663 CD LYS A 106 -6.953 -13.283 -6.082 1.00 21.15 C ATOM 1664 CE LYS A 106 -6.149 -14.548 -5.818 1.00 55.31 C ATOM 1665 NZ LYS A 106 -6.182 -15.478 -6.981 1.00 20.11 N ATOM 0 H LYS A 106 -7.153 -10.594 -1.511 1.00 75.22 H new ATOM 0 HA LYS A 106 -7.404 -10.177 -3.678 1.00 2.21 H new ATOM 0 HB2 LYS A 106 -8.094 -13.016 -3.423 1.00 30.45 H new ATOM 0 HB3 LYS A 106 -8.926 -12.267 -4.772 1.00 30.45 H new ATOM 0 HG2 LYS A 106 -6.552 -11.300 -5.367 1.00 72.24 H new ATOM 0 HG3 LYS A 106 -5.960 -12.572 -4.317 1.00 72.24 H new ATOM 0 HD2 LYS A 106 -8.006 -13.538 -6.199 1.00 21.15 H new ATOM 0 HD3 LYS A 106 -6.628 -12.833 -7.020 1.00 21.15 H new ATOM 0 HE2 LYS A 106 -5.116 -14.282 -5.595 1.00 55.31 H new ATOM 0 HE3 LYS A 106 -6.545 -15.053 -4.937 1.00 55.31 H new ATOM 0 HZ1 LYS A 106 -5.623 -16.327 -6.762 1.00 20.11 H new ATOM 0 HZ2 LYS A 106 -7.166 -15.752 -7.178 1.00 20.11 H new ATOM 0 HZ3 LYS A 106 -5.780 -15.005 -7.815 1.00 20.11 H new ATOM 1679 N SER A 107 -9.800 -9.829 -4.788 1.00 24.12 N ATOM 1680 CA SER A 107 -11.072 -9.207 -5.133 1.00 70.44 C ATOM 1681 C SER A 107 -11.166 -7.801 -4.552 1.00 3.40 C ATOM 1682 O SER A 107 -11.140 -6.812 -5.284 1.00 11.41 O ATOM 1683 CB SER A 107 -12.235 -10.061 -4.623 1.00 11.20 C ATOM 1684 OG SER A 107 -11.954 -11.443 -4.763 1.00 1.22 O ATOM 0 H SER A 107 -9.148 -9.916 -5.567 1.00 24.12 H new ATOM 0 HA SER A 107 -11.130 -9.136 -6.219 1.00 70.44 H new ATOM 0 HB2 SER A 107 -12.427 -9.830 -3.575 1.00 11.20 H new ATOM 0 HB3 SER A 107 -13.141 -9.813 -5.175 1.00 11.20 H new ATOM 0 HG SER A 107 -12.712 -11.966 -4.428 1.00 1.22 H new ATOM 1690 N SER A 108 -11.273 -7.719 -3.230 1.00 32.22 N ATOM 1691 CA SER A 108 -11.375 -6.434 -2.548 1.00 43.34 C ATOM 1692 C SER A 108 -12.611 -5.668 -3.013 1.00 23.24 C ATOM 1693 O SER A 108 -12.587 -4.444 -3.134 1.00 73.01 O ATOM 1694 CB SER A 108 -10.118 -5.598 -2.802 1.00 14.10 C ATOM 1695 OG SER A 108 -9.918 -4.651 -1.768 1.00 22.34 O ATOM 0 H SER A 108 -11.291 -8.528 -2.609 1.00 32.22 H new ATOM 0 HA SER A 108 -11.468 -6.624 -1.479 1.00 43.34 H new ATOM 0 HB2 SER A 108 -9.250 -6.253 -2.872 1.00 14.10 H new ATOM 0 HB3 SER A 108 -10.207 -5.083 -3.759 1.00 14.10 H new ATOM 0 HG SER A 108 -9.025 -4.771 -1.383 1.00 22.34 H new ATOM 1701 N VAL A 109 -13.689 -6.401 -3.270 1.00 12.41 N ATOM 1702 CA VAL A 109 -14.936 -5.793 -3.719 1.00 34.21 C ATOM 1703 C VAL A 109 -15.380 -4.685 -2.771 1.00 1.31 C ATOM 1704 O VAL A 109 -15.130 -3.505 -3.018 1.00 50.21 O ATOM 1705 CB VAL A 109 -16.062 -6.839 -3.832 1.00 12.34 C ATOM 1706 CG1 VAL A 109 -16.359 -7.452 -2.472 1.00 24.22 C ATOM 1707 CG2 VAL A 109 -17.313 -6.211 -4.428 1.00 14.02 C ATOM 0 H VAL A 109 -13.724 -7.416 -3.175 1.00 12.41 H new ATOM 0 HA VAL A 109 -14.744 -5.369 -4.704 1.00 34.21 H new ATOM 0 HB VAL A 109 -15.730 -7.636 -4.498 1.00 12.34 H new ATOM 0 HG11 VAL A 109 -17.157 -8.188 -2.571 1.00 24.22 H new ATOM 0 HG12 VAL A 109 -15.462 -7.938 -2.088 1.00 24.22 H new ATOM 0 HG13 VAL A 109 -16.672 -6.669 -1.781 1.00 24.22 H new ATOM 0 HG21 VAL A 109 -18.098 -6.963 -4.501 1.00 14.02 H new ATOM 0 HG22 VAL A 109 -17.650 -5.395 -3.789 1.00 14.02 H new ATOM 0 HG23 VAL A 109 -17.088 -5.824 -5.422 1.00 14.02 H new TER 1717 VAL A 109