USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=22 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 105 ASN : amide:sc= 0.31 K(o=1.6,f=-7.4!) USER MOD Set 1.2: A 107 SER OG : rot 35:sc= 1.27 USER MOD Set 2.1: A 27 TYR OH : rot 30:sc= 0.0915 USER MOD Set 2.2: A 31 LYS NZ :NH3+ 176:sc= 0.0875 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -134:sc= -0.0846 (180deg=-1.11) USER MOD Single : A 4 SER OG : rot 180:sc= -0.0212 USER MOD Single : A 5 MET CE :methyl 177:sc= -3.05 (180deg=-3.28) USER MOD Single : A 6 ASN : amide:sc= 0.873 K(o=0.87,f=0) USER MOD Single : A 11 CYS SG : rot 180:sc= -0.129 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= -0.117 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0454 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=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 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.165 USER MOD Single : A 46 SER OG : rot 180:sc= 0.0942 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 61 SER OG : rot 180:sc= -0.27 USER MOD Single : A 64 ASN : amide:sc= -0.115 K(o=-0.12,f=-0.7) USER MOD Single : A 65 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.171) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 18:sc= -0.167 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 82:sc= 0.123 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 167:sc= -1.95 (180deg=-2.65) USER MOD Single : A 91 ASN : amide:sc= -3.19 K(o=-3.2,f=-8.8!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 101 ASN : amide:sc= -0.0394 K(o=-0.039,f=-0.96) USER MOD Single : A 104 ASN : amide:sc= -0.118 K(o=-0.12,f=-2.2!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.706 -15.703 -6.577 1.00 3.21 N ATOM 2 CA GLY A 1 13.341 -15.239 -6.744 1.00 43.23 C ATOM 3 C GLY A 1 12.322 -16.334 -6.494 1.00 44.45 C ATOM 4 O GLY A 1 11.678 -16.832 -7.417 1.00 34.30 O ATOM 0 H1 GLY A 1 15.240 -15.015 -6.009 1.00 3.21 H new ATOM 0 H2 GLY A 1 14.703 -16.623 -6.093 1.00 3.21 H new ATOM 0 H3 GLY A 1 15.155 -15.804 -7.510 1.00 3.21 H new ATOM 0 HA2 GLY A 1 13.156 -14.411 -6.060 1.00 43.23 H new ATOM 0 HA3 GLY A 1 13.213 -14.852 -7.755 1.00 43.23 H new ATOM 8 N PRO A 2 12.167 -16.724 -5.221 1.00 11.20 N ATOM 9 CA PRO A 2 11.222 -17.771 -4.823 1.00 52.42 C ATOM 10 C PRO A 2 9.770 -17.327 -4.966 1.00 4.31 C ATOM 11 O PRO A 2 8.866 -18.153 -5.080 1.00 11.14 O ATOM 12 CB PRO A 2 11.563 -18.017 -3.351 1.00 42.00 C ATOM 13 CG PRO A 2 12.172 -16.740 -2.885 1.00 11.30 C ATOM 14 CD PRO A 2 12.903 -16.173 -4.070 1.00 50.41 C ATOM 0 HA PRO A 2 11.311 -18.659 -5.449 1.00 52.42 H new ATOM 0 HB2 PRO A 2 10.672 -18.264 -2.774 1.00 42.00 H new ATOM 0 HB3 PRO A 2 12.257 -18.850 -3.239 1.00 42.00 H new ATOM 0 HG2 PRO A 2 11.407 -16.049 -2.531 1.00 11.30 H new ATOM 0 HG3 PRO A 2 12.854 -16.914 -2.053 1.00 11.30 H new ATOM 0 HD2 PRO A 2 12.888 -15.083 -4.068 1.00 50.41 H new ATOM 0 HD3 PRO A 2 13.950 -16.477 -4.080 1.00 50.41 H new ATOM 22 N GLY A 3 9.555 -16.015 -4.961 1.00 53.41 N ATOM 23 CA GLY A 3 8.211 -15.483 -5.091 1.00 53.20 C ATOM 24 C GLY A 3 8.050 -14.138 -4.410 1.00 21.11 C ATOM 25 O GLY A 3 8.192 -13.093 -5.045 1.00 52.01 O ATOM 0 H GLY A 3 10.287 -15.311 -4.869 1.00 53.41 H new ATOM 0 HA2 GLY A 3 7.964 -15.383 -6.148 1.00 53.20 H new ATOM 0 HA3 GLY A 3 7.501 -16.191 -4.663 1.00 53.20 H new ATOM 29 N SER A 4 7.752 -14.164 -3.115 1.00 5.22 N ATOM 30 CA SER A 4 7.566 -12.937 -2.349 1.00 22.44 C ATOM 31 C SER A 4 6.378 -12.140 -2.878 1.00 70.10 C ATOM 32 O SER A 4 5.768 -12.508 -3.882 1.00 2.15 O ATOM 33 CB SER A 4 8.833 -12.080 -2.403 1.00 21.51 C ATOM 34 OG SER A 4 9.995 -12.891 -2.452 1.00 75.33 O ATOM 0 H SER A 4 7.634 -15.021 -2.574 1.00 5.22 H new ATOM 0 HA SER A 4 7.365 -13.212 -1.314 1.00 22.44 H new ATOM 0 HB2 SER A 4 8.801 -11.432 -3.279 1.00 21.51 H new ATOM 0 HB3 SER A 4 8.875 -11.431 -1.528 1.00 21.51 H new ATOM 0 HG SER A 4 10.791 -12.320 -2.488 1.00 75.33 H new ATOM 40 N MET A 5 6.055 -11.048 -2.194 1.00 73.12 N ATOM 41 CA MET A 5 4.939 -10.198 -2.596 1.00 21.32 C ATOM 42 C MET A 5 5.414 -8.776 -2.879 1.00 54.04 C ATOM 43 O MET A 5 6.482 -8.367 -2.426 1.00 13.13 O ATOM 44 CB MET A 5 3.865 -10.181 -1.506 1.00 74.23 C ATOM 45 CG MET A 5 2.473 -9.869 -2.031 1.00 31.13 C ATOM 46 SD MET A 5 1.712 -8.468 -1.189 1.00 62.23 S ATOM 47 CE MET A 5 1.806 -9.007 0.516 1.00 13.45 C ATOM 0 H MET A 5 6.549 -10.730 -1.360 1.00 73.12 H new ATOM 0 HA MET A 5 4.512 -10.609 -3.511 1.00 21.32 H new ATOM 0 HB2 MET A 5 3.848 -11.151 -1.009 1.00 74.23 H new ATOM 0 HB3 MET A 5 4.135 -9.441 -0.753 1.00 74.23 H new ATOM 0 HG2 MET A 5 2.530 -9.659 -3.099 1.00 31.13 H new ATOM 0 HG3 MET A 5 1.839 -10.748 -1.913 1.00 31.13 H new ATOM 0 HE1 MET A 5 1.422 -8.222 1.167 1.00 13.45 H new ATOM 0 HE2 MET A 5 1.210 -9.910 0.646 1.00 13.45 H new ATOM 0 HE3 MET A 5 2.844 -9.217 0.774 1.00 13.45 H new ATOM 57 N ASN A 6 4.614 -8.029 -3.632 1.00 71.31 N ATOM 58 CA ASN A 6 4.953 -6.653 -3.977 1.00 31.41 C ATOM 59 C ASN A 6 3.840 -5.697 -3.558 1.00 5.33 C ATOM 60 O ASN A 6 2.692 -5.845 -3.975 1.00 12.10 O ATOM 61 CB ASN A 6 5.208 -6.530 -5.481 1.00 33.31 C ATOM 62 CG ASN A 6 6.107 -7.631 -6.007 1.00 30.11 C ATOM 63 OD1 ASN A 6 7.282 -7.713 -5.647 1.00 40.42 O ATOM 64 ND2 ASN A 6 5.559 -8.485 -6.865 1.00 1.44 N ATOM 0 H ASN A 6 3.726 -8.353 -4.015 1.00 71.31 H new ATOM 0 HA ASN A 6 5.861 -6.383 -3.438 1.00 31.41 H new ATOM 0 HB2 ASN A 6 4.256 -6.557 -6.011 1.00 33.31 H new ATOM 0 HB3 ASN A 6 5.663 -5.562 -5.692 1.00 33.31 H new ATOM 0 HD21 ASN A 6 6.116 -9.246 -7.253 1.00 1.44 H new ATOM 0 HD22 ASN A 6 4.581 -8.379 -7.136 1.00 1.44 H new ATOM 71 N ILE A 7 4.190 -4.717 -2.731 1.00 63.42 N ATOM 72 CA ILE A 7 3.222 -3.736 -2.258 1.00 22.30 C ATOM 73 C ILE A 7 3.622 -2.324 -2.672 1.00 51.21 C ATOM 74 O ILE A 7 4.808 -1.998 -2.742 1.00 14.02 O ATOM 75 CB ILE A 7 3.073 -3.786 -0.726 1.00 23.41 C ATOM 76 CG1 ILE A 7 2.729 -5.207 -0.271 1.00 25.03 C ATOM 77 CG2 ILE A 7 2.007 -2.804 -0.264 1.00 71.23 C ATOM 78 CD1 ILE A 7 3.698 -5.768 0.745 1.00 0.52 C ATOM 0 H ILE A 7 5.136 -4.582 -2.375 1.00 63.42 H new ATOM 0 HA ILE A 7 2.266 -3.990 -2.717 1.00 22.30 H new ATOM 0 HB ILE A 7 4.023 -3.499 -0.274 1.00 23.41 H new ATOM 0 HG12 ILE A 7 1.726 -5.210 0.156 1.00 25.03 H new ATOM 0 HG13 ILE A 7 2.707 -5.863 -1.141 1.00 25.03 H new ATOM 0 HG21 ILE A 7 1.914 -2.852 0.821 1.00 71.23 H new ATOM 0 HG22 ILE A 7 2.290 -1.794 -0.560 1.00 71.23 H new ATOM 0 HG23 ILE A 7 1.052 -3.062 -0.722 1.00 71.23 H new ATOM 0 HD11 ILE A 7 3.392 -6.777 1.021 1.00 0.52 H new ATOM 0 HD12 ILE A 7 4.699 -5.797 0.315 1.00 0.52 H new ATOM 0 HD13 ILE A 7 3.702 -5.135 1.632 1.00 0.52 H new ATOM 90 N LEU A 8 2.626 -1.489 -2.945 1.00 20.35 N ATOM 91 CA LEU A 8 2.873 -0.110 -3.351 1.00 21.23 C ATOM 92 C LEU A 8 2.159 0.867 -2.423 1.00 12.42 C ATOM 93 O LEU A 8 1.103 0.556 -1.868 1.00 63.23 O ATOM 94 CB LEU A 8 2.412 0.108 -4.793 1.00 14.31 C ATOM 95 CG LEU A 8 2.638 1.508 -5.365 1.00 14.34 C ATOM 96 CD1 LEU A 8 4.124 1.817 -5.451 1.00 63.54 C ATOM 97 CD2 LEU A 8 1.984 1.637 -6.733 1.00 2.41 C ATOM 0 H LEU A 8 1.639 -1.743 -2.893 1.00 20.35 H new ATOM 0 HA LEU A 8 3.945 0.075 -3.287 1.00 21.23 H new ATOM 0 HB2 LEU A 8 2.927 -0.611 -5.431 1.00 14.31 H new ATOM 0 HB3 LEU A 8 1.348 -0.119 -4.851 1.00 14.31 H new ATOM 0 HG LEU A 8 2.176 2.232 -4.694 1.00 14.34 H new ATOM 0 HD11 LEU A 8 4.265 2.817 -5.860 1.00 63.54 H new ATOM 0 HD12 LEU A 8 4.564 1.767 -4.455 1.00 63.54 H new ATOM 0 HD13 LEU A 8 4.610 1.088 -6.099 1.00 63.54 H new ATOM 0 HD21 LEU A 8 2.155 2.640 -7.125 1.00 2.41 H new ATOM 0 HD22 LEU A 8 2.416 0.903 -7.413 1.00 2.41 H new ATOM 0 HD23 LEU A 8 0.912 1.461 -6.642 1.00 2.41 H new ATOM 109 N LEU A 9 2.739 2.051 -2.258 1.00 13.20 N ATOM 110 CA LEU A 9 2.157 3.076 -1.399 1.00 12.15 C ATOM 111 C LEU A 9 2.010 4.396 -2.148 1.00 43.31 C ATOM 112 O LEU A 9 2.948 4.861 -2.797 1.00 43.42 O ATOM 113 CB LEU A 9 3.022 3.277 -0.153 1.00 31.21 C ATOM 114 CG LEU A 9 2.506 4.294 0.866 1.00 50.01 C ATOM 115 CD1 LEU A 9 1.260 3.768 1.562 1.00 64.43 C ATOM 116 CD2 LEU A 9 3.588 4.626 1.882 1.00 24.33 C ATOM 0 H LEU A 9 3.612 2.325 -2.708 1.00 13.20 H new ATOM 0 HA LEU A 9 1.166 2.740 -1.095 1.00 12.15 H new ATOM 0 HB2 LEU A 9 3.132 2.315 0.348 1.00 31.21 H new ATOM 0 HB3 LEU A 9 4.017 3.586 -0.472 1.00 31.21 H new ATOM 0 HG LEU A 9 2.241 5.209 0.336 1.00 50.01 H new ATOM 0 HD11 LEU A 9 0.908 4.505 2.283 1.00 64.43 H new ATOM 0 HD12 LEU A 9 0.481 3.583 0.822 1.00 64.43 H new ATOM 0 HD13 LEU A 9 1.497 2.839 2.080 1.00 64.43 H new ATOM 0 HD21 LEU A 9 3.203 5.351 2.599 1.00 24.33 H new ATOM 0 HD22 LEU A 9 3.885 3.718 2.407 1.00 24.33 H new ATOM 0 HD23 LEU A 9 4.452 5.047 1.369 1.00 24.33 H new ATOM 128 N VAL A 10 0.829 4.997 -2.052 1.00 53.31 N ATOM 129 CA VAL A 10 0.561 6.266 -2.718 1.00 53.32 C ATOM 130 C VAL A 10 0.233 7.359 -1.707 1.00 3.41 C ATOM 131 O VAL A 10 -0.881 7.424 -1.186 1.00 22.55 O ATOM 132 CB VAL A 10 -0.606 6.141 -3.717 1.00 44.20 C ATOM 133 CG1 VAL A 10 -0.799 7.443 -4.479 1.00 4.22 C ATOM 134 CG2 VAL A 10 -0.363 4.984 -4.675 1.00 53.54 C ATOM 0 H VAL A 10 0.042 4.626 -1.519 1.00 53.31 H new ATOM 0 HA VAL A 10 1.467 6.536 -3.260 1.00 53.32 H new ATOM 0 HB VAL A 10 -1.520 5.936 -3.159 1.00 44.20 H new ATOM 0 HG11 VAL A 10 -1.627 7.335 -5.179 1.00 4.22 H new ATOM 0 HG12 VAL A 10 -1.020 8.246 -3.776 1.00 4.22 H new ATOM 0 HG13 VAL A 10 0.112 7.682 -5.028 1.00 4.22 H new ATOM 0 HG21 VAL A 10 -1.196 4.909 -5.374 1.00 53.54 H new ATOM 0 HG22 VAL A 10 0.560 5.157 -5.228 1.00 53.54 H new ATOM 0 HG23 VAL A 10 -0.279 4.056 -4.110 1.00 53.54 H new ATOM 144 N CYS A 11 1.210 8.217 -1.435 1.00 4.14 N ATOM 145 CA CYS A 11 1.027 9.309 -0.485 1.00 12.14 C ATOM 146 C CYS A 11 1.503 10.631 -1.078 1.00 24.05 C ATOM 147 O CYS A 11 0.870 11.670 -0.893 1.00 30.34 O ATOM 148 CB CYS A 11 1.782 9.016 0.812 1.00 34.20 C ATOM 149 SG CYS A 11 3.506 8.531 0.570 1.00 70.43 S ATOM 0 H CYS A 11 2.137 8.178 -1.859 1.00 4.14 H new ATOM 0 HA CYS A 11 -0.037 9.393 -0.266 1.00 12.14 H new ATOM 0 HB2 CYS A 11 1.751 9.902 1.446 1.00 34.20 H new ATOM 0 HB3 CYS A 11 1.264 8.221 1.349 1.00 34.20 H new ATOM 0 HG CYS A 11 4.060 8.307 1.725 1.00 70.43 H new ATOM 155 N GLY A 12 2.625 10.584 -1.789 1.00 52.55 N ATOM 156 CA GLY A 12 3.168 11.785 -2.396 1.00 40.15 C ATOM 157 C GLY A 12 4.599 11.602 -2.863 1.00 12.44 C ATOM 158 O GLY A 12 4.931 10.597 -3.489 1.00 31.51 O ATOM 0 H GLY A 12 3.167 9.736 -1.955 1.00 52.55 H new ATOM 0 HA2 GLY A 12 2.546 12.073 -3.244 1.00 40.15 H new ATOM 0 HA3 GLY A 12 3.125 12.603 -1.677 1.00 40.15 H new ATOM 162 N ALA A 13 5.448 12.579 -2.558 1.00 40.05 N ATOM 163 CA ALA A 13 6.851 12.521 -2.951 1.00 21.00 C ATOM 164 C ALA A 13 7.690 11.821 -1.887 1.00 31.31 C ATOM 165 O ALA A 13 7.552 12.094 -0.696 1.00 22.34 O ATOM 166 CB ALA A 13 7.385 13.923 -3.209 1.00 61.41 C ATOM 0 H ALA A 13 5.189 13.419 -2.041 1.00 40.05 H new ATOM 0 HA ALA A 13 6.922 11.942 -3.872 1.00 21.00 H new ATOM 0 HB1 ALA A 13 8.433 13.865 -3.502 1.00 61.41 H new ATOM 0 HB2 ALA A 13 6.810 14.390 -4.009 1.00 61.41 H new ATOM 0 HB3 ALA A 13 7.294 14.520 -2.301 1.00 61.41 H new ATOM 172 N GLY A 14 8.560 10.916 -2.326 1.00 74.31 N ATOM 173 CA GLY A 14 9.407 10.190 -1.398 1.00 31.51 C ATOM 174 C GLY A 14 10.552 9.481 -2.093 1.00 32.30 C ATOM 175 O GLY A 14 10.621 8.252 -2.092 1.00 50.22 O ATOM 0 H GLY A 14 8.693 10.673 -3.308 1.00 74.31 H new ATOM 0 HA2 GLY A 14 9.808 10.883 -0.658 1.00 31.51 H new ATOM 0 HA3 GLY A 14 8.806 9.459 -0.857 1.00 31.51 H new ATOM 179 N MET A 15 11.452 10.256 -2.688 1.00 60.44 N ATOM 180 CA MET A 15 12.600 9.694 -3.390 1.00 34.30 C ATOM 181 C MET A 15 13.520 8.953 -2.424 1.00 14.14 C ATOM 182 O MET A 15 14.226 8.024 -2.813 1.00 4.12 O ATOM 183 CB MET A 15 13.378 10.799 -4.108 1.00 21.44 C ATOM 184 CG MET A 15 13.974 11.832 -3.165 1.00 2.12 C ATOM 185 SD MET A 15 14.222 13.432 -3.957 1.00 52.04 S ATOM 186 CE MET A 15 14.430 14.490 -2.526 1.00 61.32 C ATOM 0 H MET A 15 11.409 11.275 -2.698 1.00 60.44 H new ATOM 0 HA MET A 15 12.229 8.983 -4.128 1.00 34.30 H new ATOM 0 HB2 MET A 15 14.179 10.347 -4.693 1.00 21.44 H new ATOM 0 HB3 MET A 15 12.714 11.301 -4.812 1.00 21.44 H new ATOM 0 HG2 MET A 15 13.317 11.955 -2.304 1.00 2.12 H new ATOM 0 HG3 MET A 15 14.929 11.466 -2.787 1.00 2.12 H new ATOM 0 HE1 MET A 15 14.593 15.517 -2.853 1.00 61.32 H new ATOM 0 HE2 MET A 15 13.534 14.445 -1.907 1.00 61.32 H new ATOM 0 HE3 MET A 15 15.289 14.153 -1.946 1.00 61.32 H new ATOM 196 N SER A 16 13.504 9.372 -1.162 1.00 21.31 N ATOM 197 CA SER A 16 14.340 8.751 -0.141 1.00 0.21 C ATOM 198 C SER A 16 13.616 8.709 1.202 1.00 4.10 C ATOM 199 O SER A 16 13.660 7.705 1.914 1.00 2.10 O ATOM 200 CB SER A 16 15.658 9.513 0.002 1.00 43.15 C ATOM 201 OG SER A 16 15.494 10.673 0.799 1.00 31.10 O ATOM 0 H SER A 16 12.922 10.138 -0.823 1.00 21.31 H new ATOM 0 HA SER A 16 14.552 7.728 -0.453 1.00 0.21 H new ATOM 0 HB2 SER A 16 16.410 8.864 0.450 1.00 43.15 H new ATOM 0 HB3 SER A 16 16.027 9.795 -0.984 1.00 43.15 H new ATOM 0 HG SER A 16 16.352 11.141 0.876 1.00 31.10 H new ATOM 207 N THR A 17 12.949 9.808 1.542 1.00 2.12 N ATOM 208 CA THR A 17 12.217 9.899 2.798 1.00 35.40 C ATOM 209 C THR A 17 11.013 8.962 2.802 1.00 25.25 C ATOM 210 O THR A 17 9.908 9.354 2.430 1.00 60.01 O ATOM 211 CB THR A 17 11.734 11.337 3.064 1.00 10.13 C ATOM 212 OG1 THR A 17 11.413 11.983 1.828 1.00 65.22 O ATOM 213 CG2 THR A 17 12.797 12.137 3.800 1.00 1.23 C ATOM 0 H THR A 17 12.901 10.647 0.964 1.00 2.12 H new ATOM 0 HA THR A 17 12.907 9.603 3.588 1.00 35.40 H new ATOM 0 HB THR A 17 10.842 11.287 3.689 1.00 10.13 H new ATOM 0 HG1 THR A 17 11.105 12.896 2.006 1.00 65.22 H new ATOM 0 HG21 THR A 17 12.433 13.149 3.977 1.00 1.23 H new ATOM 0 HG22 THR A 17 13.017 11.659 4.754 1.00 1.23 H new ATOM 0 HG23 THR A 17 13.704 12.178 3.197 1.00 1.23 H new ATOM 221 N SER A 18 11.237 7.722 3.227 1.00 72.03 N ATOM 222 CA SER A 18 10.171 6.728 3.276 1.00 32.52 C ATOM 223 C SER A 18 10.035 6.146 4.680 1.00 52.11 C ATOM 224 O SER A 18 10.476 5.028 4.946 1.00 52.42 O ATOM 225 CB SER A 18 10.443 5.607 2.271 1.00 32.23 C ATOM 226 OG SER A 18 11.094 6.105 1.115 1.00 31.30 O ATOM 0 H SER A 18 12.146 7.382 3.542 1.00 72.03 H new ATOM 0 HA SER A 18 9.235 7.222 3.014 1.00 32.52 H new ATOM 0 HB2 SER A 18 11.060 4.839 2.737 1.00 32.23 H new ATOM 0 HB3 SER A 18 9.503 5.133 1.987 1.00 32.23 H new ATOM 0 HG SER A 18 11.258 5.369 0.489 1.00 31.30 H new ATOM 232 N MET A 19 9.421 6.914 5.574 1.00 33.30 N ATOM 233 CA MET A 19 9.226 6.475 6.951 1.00 13.04 C ATOM 234 C MET A 19 8.477 5.147 6.997 1.00 22.53 C ATOM 235 O MET A 19 8.941 4.182 7.607 1.00 52.11 O ATOM 236 CB MET A 19 8.456 7.535 7.743 1.00 61.12 C ATOM 237 CG MET A 19 9.204 8.851 7.882 1.00 73.01 C ATOM 238 SD MET A 19 9.492 9.308 9.602 1.00 20.11 S ATOM 239 CE MET A 19 8.894 10.997 9.607 1.00 22.13 C ATOM 0 H MET A 19 9.050 7.842 5.370 1.00 33.30 H new ATOM 0 HA MET A 19 10.208 6.335 7.404 1.00 13.04 H new ATOM 0 HB2 MET A 19 7.500 7.720 7.253 1.00 61.12 H new ATOM 0 HB3 MET A 19 8.235 7.145 8.737 1.00 61.12 H new ATOM 0 HG2 MET A 19 10.161 8.777 7.365 1.00 73.01 H new ATOM 0 HG3 MET A 19 8.636 9.641 7.390 1.00 73.01 H new ATOM 0 HE1 MET A 19 9.005 11.419 10.606 1.00 22.13 H new ATOM 0 HE2 MET A 19 9.470 11.589 8.896 1.00 22.13 H new ATOM 0 HE3 MET A 19 7.842 11.011 9.322 1.00 22.13 H new ATOM 249 N LEU A 20 7.318 5.103 6.351 1.00 15.54 N ATOM 250 CA LEU A 20 6.505 3.893 6.318 1.00 13.01 C ATOM 251 C LEU A 20 7.332 2.693 5.869 1.00 64.00 C ATOM 252 O LEU A 20 7.328 1.646 6.517 1.00 64.32 O ATOM 253 CB LEU A 20 5.310 4.082 5.382 1.00 33.11 C ATOM 254 CG LEU A 20 3.979 4.425 6.053 1.00 52.12 C ATOM 255 CD1 LEU A 20 2.890 4.622 5.009 1.00 23.50 C ATOM 256 CD2 LEU A 20 3.583 3.337 7.040 1.00 72.50 C ATOM 0 H LEU A 20 6.919 5.892 5.842 1.00 15.54 H new ATOM 0 HA LEU A 20 6.141 3.703 7.328 1.00 13.01 H new ATOM 0 HB2 LEU A 20 5.551 4.874 4.673 1.00 33.11 H new ATOM 0 HB3 LEU A 20 5.178 3.167 4.805 1.00 33.11 H new ATOM 0 HG LEU A 20 4.101 5.359 6.602 1.00 52.12 H new ATOM 0 HD11 LEU A 20 1.950 4.865 5.505 1.00 23.50 H new ATOM 0 HD12 LEU A 20 3.169 5.437 4.341 1.00 23.50 H new ATOM 0 HD13 LEU A 20 2.769 3.705 4.432 1.00 23.50 H new ATOM 0 HD21 LEU A 20 2.634 3.598 7.508 1.00 72.50 H new ATOM 0 HD22 LEU A 20 3.479 2.388 6.513 1.00 72.50 H new ATOM 0 HD23 LEU A 20 4.352 3.244 7.807 1.00 72.50 H new ATOM 268 N VAL A 21 8.042 2.853 4.758 1.00 45.20 N ATOM 269 CA VAL A 21 8.878 1.785 4.223 1.00 71.32 C ATOM 270 C VAL A 21 9.889 1.307 5.260 1.00 74.50 C ATOM 271 O VAL A 21 10.075 0.105 5.451 1.00 12.42 O ATOM 272 CB VAL A 21 9.632 2.240 2.960 1.00 75.01 C ATOM 273 CG1 VAL A 21 10.517 1.120 2.434 1.00 42.42 C ATOM 274 CG2 VAL A 21 8.651 2.701 1.892 1.00 2.54 C ATOM 0 H VAL A 21 8.055 3.713 4.210 1.00 45.20 H new ATOM 0 HA VAL A 21 8.212 0.963 3.962 1.00 71.32 H new ATOM 0 HB VAL A 21 10.271 3.083 3.223 1.00 75.01 H new ATOM 0 HG11 VAL A 21 11.042 1.460 1.541 1.00 42.42 H new ATOM 0 HG12 VAL A 21 11.243 0.841 3.198 1.00 42.42 H new ATOM 0 HG13 VAL A 21 9.901 0.256 2.186 1.00 42.42 H new ATOM 0 HG21 VAL A 21 9.201 3.019 1.006 1.00 2.54 H new ATOM 0 HG22 VAL A 21 7.985 1.879 1.630 1.00 2.54 H new ATOM 0 HG23 VAL A 21 8.063 3.536 2.274 1.00 2.54 H new ATOM 284 N GLN A 22 10.538 2.256 5.926 1.00 61.43 N ATOM 285 CA GLN A 22 11.531 1.931 6.944 1.00 62.25 C ATOM 286 C GLN A 22 10.917 1.081 8.051 1.00 30.45 C ATOM 287 O GLN A 22 11.500 0.084 8.477 1.00 51.10 O ATOM 288 CB GLN A 22 12.122 3.211 7.536 1.00 3.42 C ATOM 289 CG GLN A 22 13.594 3.410 7.209 1.00 2.00 C ATOM 290 CD GLN A 22 14.256 4.438 8.104 1.00 44.12 C ATOM 291 OE1 GLN A 22 13.691 5.498 8.376 1.00 23.45 O ATOM 292 NE2 GLN A 22 15.463 4.132 8.566 1.00 32.42 N ATOM 0 H GLN A 22 10.395 3.255 5.780 1.00 61.43 H new ATOM 0 HA GLN A 22 12.327 1.357 6.470 1.00 62.25 H new ATOM 0 HB2 GLN A 22 11.557 4.067 7.166 1.00 3.42 H new ATOM 0 HB3 GLN A 22 11.998 3.191 8.619 1.00 3.42 H new ATOM 0 HG2 GLN A 22 14.116 2.458 7.307 1.00 2.00 H new ATOM 0 HG3 GLN A 22 13.692 3.722 6.169 1.00 2.00 H new ATOM 0 HE21 GLN A 22 15.894 3.242 8.316 1.00 32.42 H new ATOM 0 HE22 GLN A 22 15.958 4.787 9.171 1.00 32.42 H new ATOM 301 N ARG A 23 9.738 1.482 8.514 1.00 55.22 N ATOM 302 CA ARG A 23 9.045 0.758 9.573 1.00 40.33 C ATOM 303 C ARG A 23 8.729 -0.670 9.137 1.00 53.31 C ATOM 304 O ARG A 23 9.197 -1.633 9.745 1.00 45.55 O ATOM 305 CB ARG A 23 7.755 1.484 9.957 1.00 61.41 C ATOM 306 CG ARG A 23 7.933 2.980 10.154 1.00 40.14 C ATOM 307 CD ARG A 23 7.320 3.447 11.465 1.00 1.20 C ATOM 308 NE ARG A 23 7.367 4.899 11.605 1.00 50.45 N ATOM 309 CZ ARG A 23 8.450 5.567 11.986 1.00 3.04 C ATOM 310 NH1 ARG A 23 9.571 4.915 12.265 1.00 73.33 N ATOM 311 NH2 ARG A 23 8.415 6.889 12.090 1.00 15.11 N ATOM 0 H ARG A 23 9.242 2.305 8.172 1.00 55.22 H new ATOM 0 HA ARG A 23 9.702 0.717 10.442 1.00 40.33 H new ATOM 0 HB2 ARG A 23 7.008 1.315 9.181 1.00 61.41 H new ATOM 0 HB3 ARG A 23 7.363 1.049 10.877 1.00 61.41 H new ATOM 0 HG2 ARG A 23 8.995 3.226 10.140 1.00 40.14 H new ATOM 0 HG3 ARG A 23 7.471 3.515 9.324 1.00 40.14 H new ATOM 0 HD2 ARG A 23 6.285 3.111 11.521 1.00 1.20 H new ATOM 0 HD3 ARG A 23 7.850 2.985 12.298 1.00 1.20 H new ATOM 0 HE ARG A 23 6.521 5.430 11.399 1.00 50.45 H new ATOM 0 HH11 ARG A 23 9.603 3.898 12.187 1.00 73.33 H new ATOM 0 HH12 ARG A 23 10.401 5.430 12.557 1.00 73.33 H new ATOM 0 HH21 ARG A 23 7.555 7.395 11.877 1.00 15.11 H new ATOM 0 HH22 ARG A 23 9.248 7.400 12.383 1.00 15.11 H new ATOM 325 N ILE A 24 7.929 -0.798 8.084 1.00 21.10 N ATOM 326 CA ILE A 24 7.550 -2.107 7.567 1.00 65.42 C ATOM 327 C ILE A 24 8.779 -2.964 7.284 1.00 44.22 C ATOM 328 O ILE A 24 8.802 -4.154 7.591 1.00 64.55 O ATOM 329 CB ILE A 24 6.716 -1.984 6.278 1.00 51.12 C ATOM 330 CG1 ILE A 24 5.449 -1.169 6.541 1.00 15.13 C ATOM 331 CG2 ILE A 24 6.364 -3.364 5.741 1.00 5.55 C ATOM 332 CD1 ILE A 24 5.126 -0.181 5.442 1.00 64.31 C ATOM 0 H ILE A 24 7.531 -0.011 7.572 1.00 21.10 H new ATOM 0 HA ILE A 24 6.945 -2.586 8.337 1.00 65.42 H new ATOM 0 HB ILE A 24 7.310 -1.464 5.526 1.00 51.12 H new ATOM 0 HG12 ILE A 24 4.607 -1.851 6.664 1.00 15.13 H new ATOM 0 HG13 ILE A 24 5.563 -0.630 7.481 1.00 15.13 H new ATOM 0 HG21 ILE A 24 5.775 -3.260 4.830 1.00 5.55 H new ATOM 0 HG22 ILE A 24 7.279 -3.913 5.520 1.00 5.55 H new ATOM 0 HG23 ILE A 24 5.785 -3.908 6.487 1.00 5.55 H new ATOM 0 HD11 ILE A 24 4.215 0.361 5.696 1.00 64.31 H new ATOM 0 HD12 ILE A 24 5.950 0.524 5.333 1.00 64.31 H new ATOM 0 HD13 ILE A 24 4.980 -0.716 4.503 1.00 64.31 H new ATOM 344 N GLU A 25 9.802 -2.346 6.699 1.00 31.44 N ATOM 345 CA GLU A 25 11.036 -3.053 6.376 1.00 3.24 C ATOM 346 C GLU A 25 11.653 -3.670 7.628 1.00 72.51 C ATOM 347 O GLU A 25 11.966 -4.862 7.657 1.00 13.52 O ATOM 348 CB GLU A 25 12.037 -2.102 5.717 1.00 41.03 C ATOM 349 CG GLU A 25 11.887 -2.012 4.207 1.00 24.00 C ATOM 350 CD GLU A 25 13.190 -2.276 3.476 1.00 34.42 C ATOM 351 OE1 GLU A 25 14.016 -1.346 3.380 1.00 65.00 O ATOM 352 OE2 GLU A 25 13.380 -3.415 2.999 1.00 51.51 O ATOM 0 H GLU A 25 9.800 -1.359 6.440 1.00 31.44 H new ATOM 0 HA GLU A 25 10.793 -3.855 5.678 1.00 3.24 H new ATOM 0 HB2 GLU A 25 11.917 -1.107 6.146 1.00 41.03 H new ATOM 0 HB3 GLU A 25 13.049 -2.431 5.954 1.00 41.03 H new ATOM 0 HG2 GLU A 25 11.137 -2.730 3.876 1.00 24.00 H new ATOM 0 HG3 GLU A 25 11.519 -1.021 3.940 1.00 24.00 H new ATOM 359 N LYS A 26 11.826 -2.853 8.661 1.00 51.34 N ATOM 360 CA LYS A 26 12.405 -3.316 9.915 1.00 2.32 C ATOM 361 C LYS A 26 11.582 -4.457 10.506 1.00 53.42 C ATOM 362 O LYS A 26 12.090 -5.558 10.715 1.00 60.20 O ATOM 363 CB LYS A 26 12.491 -2.162 10.918 1.00 72.31 C ATOM 364 CG LYS A 26 13.877 -1.550 11.023 1.00 12.15 C ATOM 365 CD LYS A 26 14.814 -2.428 11.834 1.00 13.01 C ATOM 366 CE LYS A 26 16.118 -1.711 12.146 1.00 24.34 C ATOM 367 NZ LYS A 26 17.244 -2.221 11.315 1.00 42.51 N ATOM 0 H LYS A 26 11.573 -1.865 8.654 1.00 51.34 H new ATOM 0 HA LYS A 26 13.409 -3.685 9.708 1.00 2.32 H new ATOM 0 HB2 LYS A 26 11.782 -1.387 10.629 1.00 72.31 H new ATOM 0 HB3 LYS A 26 12.187 -2.522 11.901 1.00 72.31 H new ATOM 0 HG2 LYS A 26 14.288 -1.404 10.024 1.00 12.15 H new ATOM 0 HG3 LYS A 26 13.807 -0.566 11.486 1.00 12.15 H new ATOM 0 HD2 LYS A 26 14.327 -2.720 12.764 1.00 13.01 H new ATOM 0 HD3 LYS A 26 15.024 -3.344 11.283 1.00 13.01 H new ATOM 0 HE2 LYS A 26 15.995 -0.642 11.974 1.00 24.34 H new ATOM 0 HE3 LYS A 26 16.359 -1.838 13.201 1.00 24.34 H new ATOM 0 HZ1 LYS A 26 18.115 -1.707 11.558 1.00 42.51 H new ATOM 0 HZ2 LYS A 26 17.379 -3.236 11.498 1.00 42.51 H new ATOM 0 HZ3 LYS A 26 17.026 -2.077 10.308 1.00 42.51 H new ATOM 381 N TYR A 27 10.308 -4.185 10.771 1.00 24.34 N ATOM 382 CA TYR A 27 9.416 -5.188 11.339 1.00 34.02 C ATOM 383 C TYR A 27 9.434 -6.467 10.507 1.00 31.41 C ATOM 384 O TYR A 27 9.767 -7.542 11.007 1.00 54.42 O ATOM 385 CB TYR A 27 7.989 -4.643 11.423 1.00 12.32 C ATOM 386 CG TYR A 27 6.965 -5.684 11.812 1.00 74.41 C ATOM 387 CD1 TYR A 27 6.363 -6.488 10.852 1.00 74.01 C ATOM 388 CD2 TYR A 27 6.596 -5.863 13.140 1.00 25.01 C ATOM 389 CE1 TYR A 27 5.425 -7.440 11.203 1.00 50.34 C ATOM 390 CE2 TYR A 27 5.662 -6.814 13.500 1.00 32.21 C ATOM 391 CZ TYR A 27 5.079 -7.600 12.528 1.00 52.10 C ATOM 392 OH TYR A 27 4.145 -8.548 12.882 1.00 4.55 O ATOM 0 H TYR A 27 9.871 -3.279 10.601 1.00 24.34 H new ATOM 0 HA TYR A 27 9.769 -5.423 12.343 1.00 34.02 H new ATOM 0 HB2 TYR A 27 7.962 -3.830 12.149 1.00 12.32 H new ATOM 0 HB3 TYR A 27 7.714 -4.218 10.458 1.00 12.32 H new ATOM 0 HD1 TYR A 27 6.633 -6.367 9.813 1.00 74.01 H new ATOM 0 HD2 TYR A 27 7.048 -5.247 13.904 1.00 25.01 H new ATOM 0 HE1 TYR A 27 4.965 -8.055 10.444 1.00 50.34 H new ATOM 0 HE2 TYR A 27 5.389 -6.942 14.537 1.00 32.21 H new ATOM 0 HH TYR A 27 4.179 -9.294 12.247 1.00 4.55 H new ATOM 402 N ALA A 28 9.076 -6.342 9.233 1.00 15.31 N ATOM 403 CA ALA A 28 9.052 -7.485 8.330 1.00 63.14 C ATOM 404 C ALA A 28 10.378 -8.240 8.366 1.00 51.13 C ATOM 405 O ALA A 28 10.410 -9.448 8.599 1.00 34.24 O ATOM 406 CB ALA A 28 8.741 -7.032 6.912 1.00 15.40 C ATOM 0 H ALA A 28 8.799 -5.460 8.803 1.00 15.31 H new ATOM 0 HA ALA A 28 8.267 -8.163 8.663 1.00 63.14 H new ATOM 0 HB1 ALA A 28 8.726 -7.897 6.249 1.00 15.40 H new ATOM 0 HB2 ALA A 28 7.767 -6.543 6.892 1.00 15.40 H new ATOM 0 HB3 ALA A 28 9.506 -6.331 6.578 1.00 15.40 H new ATOM 412 N LYS A 29 11.469 -7.519 8.134 1.00 61.44 N ATOM 413 CA LYS A 29 12.799 -8.120 8.140 1.00 74.11 C ATOM 414 C LYS A 29 13.030 -8.916 9.420 1.00 42.43 C ATOM 415 O LYS A 29 13.660 -9.973 9.400 1.00 74.23 O ATOM 416 CB LYS A 29 13.870 -7.037 7.999 1.00 21.10 C ATOM 417 CG LYS A 29 14.066 -6.557 6.571 1.00 3.23 C ATOM 418 CD LYS A 29 15.455 -6.894 6.055 1.00 31.53 C ATOM 419 CE LYS A 29 15.487 -8.266 5.397 1.00 4.33 C ATOM 420 NZ LYS A 29 16.804 -8.937 5.579 1.00 11.30 N ATOM 0 H LYS A 29 11.460 -6.518 7.939 1.00 61.44 H new ATOM 0 HA LYS A 29 12.867 -8.802 7.292 1.00 74.11 H new ATOM 0 HB2 LYS A 29 13.600 -6.187 8.625 1.00 21.10 H new ATOM 0 HB3 LYS A 29 14.817 -7.423 8.377 1.00 21.10 H new ATOM 0 HG2 LYS A 29 13.316 -7.015 5.926 1.00 3.23 H new ATOM 0 HG3 LYS A 29 13.911 -5.479 6.524 1.00 3.23 H new ATOM 0 HD2 LYS A 29 15.771 -6.137 5.337 1.00 31.53 H new ATOM 0 HD3 LYS A 29 16.167 -6.868 6.880 1.00 31.53 H new ATOM 0 HE2 LYS A 29 14.700 -8.890 5.820 1.00 4.33 H new ATOM 0 HE3 LYS A 29 15.275 -8.164 4.333 1.00 4.33 H new ATOM 0 HZ1 LYS A 29 16.786 -9.868 5.117 1.00 11.30 H new ATOM 0 HZ2 LYS A 29 17.553 -8.354 5.153 1.00 11.30 H new ATOM 0 HZ3 LYS A 29 16.995 -9.058 6.594 1.00 11.30 H new ATOM 434 N SER A 30 12.515 -8.401 10.532 1.00 1.20 N ATOM 435 CA SER A 30 12.668 -9.063 11.823 1.00 71.32 C ATOM 436 C SER A 30 11.891 -10.375 11.856 1.00 71.23 C ATOM 437 O SER A 30 12.410 -11.409 12.277 1.00 3.24 O ATOM 438 CB SER A 30 12.190 -8.146 12.950 1.00 70.43 C ATOM 439 OG SER A 30 11.524 -8.884 13.960 1.00 41.21 O ATOM 0 H SER A 30 11.988 -7.528 10.565 1.00 1.20 H new ATOM 0 HA SER A 30 13.726 -9.283 11.967 1.00 71.32 H new ATOM 0 HB2 SER A 30 13.042 -7.620 13.381 1.00 70.43 H new ATOM 0 HB3 SER A 30 11.519 -7.388 12.546 1.00 70.43 H new ATOM 0 HG SER A 30 11.230 -8.275 14.670 1.00 41.21 H new ATOM 445 N LYS A 31 10.641 -10.327 11.408 1.00 50.13 N ATOM 446 CA LYS A 31 9.789 -11.509 11.383 1.00 61.53 C ATOM 447 C LYS A 31 10.224 -12.471 10.281 1.00 4.51 C ATOM 448 O LYS A 31 9.813 -13.630 10.258 1.00 70.31 O ATOM 449 CB LYS A 31 8.327 -11.107 11.175 1.00 62.32 C ATOM 450 CG LYS A 31 7.674 -10.526 12.417 1.00 25.30 C ATOM 451 CD LYS A 31 7.048 -11.611 13.277 1.00 30.23 C ATOM 452 CE LYS A 31 6.733 -11.101 14.676 1.00 44.34 C ATOM 453 NZ LYS A 31 5.273 -10.889 14.873 1.00 72.41 N ATOM 0 H LYS A 31 10.195 -9.480 11.057 1.00 50.13 H new ATOM 0 HA LYS A 31 9.887 -12.015 12.343 1.00 61.53 H new ATOM 0 HB2 LYS A 31 8.271 -10.375 10.369 1.00 62.32 H new ATOM 0 HB3 LYS A 31 7.761 -11.981 10.852 1.00 62.32 H new ATOM 0 HG2 LYS A 31 8.418 -9.982 13.000 1.00 25.30 H new ATOM 0 HG3 LYS A 31 6.910 -9.806 12.124 1.00 25.30 H new ATOM 0 HD2 LYS A 31 6.133 -11.969 12.804 1.00 30.23 H new ATOM 0 HD3 LYS A 31 7.727 -12.461 13.343 1.00 30.23 H new ATOM 0 HE2 LYS A 31 7.099 -11.815 15.414 1.00 44.34 H new ATOM 0 HE3 LYS A 31 7.263 -10.164 14.849 1.00 44.34 H new ATOM 0 HZ1 LYS A 31 5.093 -10.607 15.858 1.00 72.41 H new ATOM 0 HZ2 LYS A 31 4.941 -10.140 14.232 1.00 72.41 H new ATOM 0 HZ3 LYS A 31 4.763 -11.772 14.667 1.00 72.41 H new ATOM 467 N ASN A 32 11.060 -11.981 9.371 1.00 74.03 N ATOM 468 CA ASN A 32 11.551 -12.797 8.267 1.00 25.31 C ATOM 469 C ASN A 32 10.409 -13.208 7.343 1.00 25.40 C ATOM 470 O ASN A 32 10.173 -14.397 7.121 1.00 4.44 O ATOM 471 CB ASN A 32 12.262 -14.042 8.803 1.00 51.33 C ATOM 472 CG ASN A 32 13.300 -14.576 7.834 1.00 21.13 C ATOM 473 OD1 ASN A 32 13.106 -15.620 7.211 1.00 34.04 O ATOM 474 ND2 ASN A 32 14.412 -13.860 7.704 1.00 21.22 N ATOM 0 H ASN A 32 11.411 -11.023 9.377 1.00 74.03 H new ATOM 0 HA ASN A 32 12.260 -12.200 7.694 1.00 25.31 H new ATOM 0 HB2 ASN A 32 12.743 -13.803 9.751 1.00 51.33 H new ATOM 0 HB3 ASN A 32 11.525 -14.819 9.007 1.00 51.33 H new ATOM 0 HD21 ASN A 32 15.147 -14.170 7.068 1.00 21.22 H new ATOM 0 HD22 ASN A 32 14.531 -13.000 8.240 1.00 21.22 H new ATOM 481 N ILE A 33 9.703 -12.218 6.807 1.00 5.54 N ATOM 482 CA ILE A 33 8.587 -12.477 5.906 1.00 45.13 C ATOM 483 C ILE A 33 8.927 -12.065 4.478 1.00 64.53 C ATOM 484 O ILE A 33 9.549 -11.029 4.251 1.00 45.44 O ATOM 485 CB ILE A 33 7.317 -11.730 6.355 1.00 52.32 C ATOM 486 CG1 ILE A 33 6.922 -12.157 7.770 1.00 4.41 C ATOM 487 CG2 ILE A 33 6.178 -11.989 5.381 1.00 52.34 C ATOM 488 CD1 ILE A 33 6.034 -11.156 8.477 1.00 32.11 C ATOM 0 H ILE A 33 9.884 -11.229 6.981 1.00 5.54 H new ATOM 0 HA ILE A 33 8.398 -13.550 5.937 1.00 45.13 H new ATOM 0 HB ILE A 33 7.526 -10.660 6.363 1.00 52.32 H new ATOM 0 HG12 ILE A 33 6.407 -13.116 7.721 1.00 4.41 H new ATOM 0 HG13 ILE A 33 7.825 -12.310 8.360 1.00 4.41 H new ATOM 0 HG21 ILE A 33 5.288 -11.454 5.712 1.00 52.34 H new ATOM 0 HG22 ILE A 33 6.462 -11.641 4.388 1.00 52.34 H new ATOM 0 HG23 ILE A 33 5.967 -13.058 5.344 1.00 52.34 H new ATOM 0 HD11 ILE A 33 5.793 -11.524 9.474 1.00 32.11 H new ATOM 0 HD12 ILE A 33 6.554 -10.202 8.558 1.00 32.11 H new ATOM 0 HD13 ILE A 33 5.114 -11.021 7.909 1.00 32.11 H new ATOM 500 N ASN A 34 8.513 -12.885 3.517 1.00 53.31 N ATOM 501 CA ASN A 34 8.772 -12.605 2.109 1.00 33.40 C ATOM 502 C ASN A 34 7.806 -11.551 1.577 1.00 0.32 C ATOM 503 O ASN A 34 6.798 -11.876 0.951 1.00 20.44 O ATOM 504 CB ASN A 34 8.649 -13.888 1.282 1.00 0.15 C ATOM 505 CG ASN A 34 9.545 -14.996 1.800 1.00 70.33 C ATOM 506 OD1 ASN A 34 9.066 -16.010 2.309 1.00 2.23 O ATOM 507 ND2 ASN A 34 10.853 -14.809 1.672 1.00 4.43 N ATOM 0 H ASN A 34 7.997 -13.748 3.687 1.00 53.31 H new ATOM 0 HA ASN A 34 9.788 -12.219 2.022 1.00 33.40 H new ATOM 0 HB2 ASN A 34 7.613 -14.227 1.293 1.00 0.15 H new ATOM 0 HB3 ASN A 34 8.903 -13.674 0.244 1.00 0.15 H new ATOM 0 HD21 ASN A 34 11.505 -15.521 2.002 1.00 4.43 H new ATOM 0 HD22 ASN A 34 11.206 -13.953 1.244 1.00 4.43 H new ATOM 514 N ALA A 35 8.124 -10.285 1.831 1.00 41.31 N ATOM 515 CA ALA A 35 7.287 -9.181 1.375 1.00 73.42 C ATOM 516 C ALA A 35 8.114 -7.919 1.155 1.00 32.34 C ATOM 517 O ALA A 35 9.191 -7.762 1.731 1.00 62.01 O ATOM 518 CB ALA A 35 6.172 -8.916 2.376 1.00 23.42 C ATOM 0 H ALA A 35 8.954 -9.999 2.350 1.00 41.31 H new ATOM 0 HA ALA A 35 6.844 -9.464 0.420 1.00 73.42 H new ATOM 0 HB1 ALA A 35 5.555 -8.090 2.023 1.00 23.42 H new ATOM 0 HB2 ALA A 35 5.557 -9.810 2.480 1.00 23.42 H new ATOM 0 HB3 ALA A 35 6.605 -8.659 3.343 1.00 23.42 H new ATOM 524 N THR A 36 7.605 -7.022 0.318 1.00 51.04 N ATOM 525 CA THR A 36 8.297 -5.775 0.020 1.00 71.15 C ATOM 526 C THR A 36 7.308 -4.658 -0.296 1.00 24.33 C ATOM 527 O THR A 36 6.241 -4.904 -0.857 1.00 55.25 O ATOM 528 CB THR A 36 9.264 -5.939 -1.168 1.00 4.43 C ATOM 529 OG1 THR A 36 10.081 -4.770 -1.300 1.00 32.24 O ATOM 530 CG2 THR A 36 8.499 -6.177 -2.460 1.00 72.14 C ATOM 0 H THR A 36 6.715 -7.136 -0.166 1.00 51.04 H new ATOM 0 HA THR A 36 8.867 -5.510 0.910 1.00 71.15 H new ATOM 0 HB THR A 36 9.897 -6.805 -0.975 1.00 4.43 H new ATOM 0 HG1 THR A 36 10.694 -4.883 -2.056 1.00 32.24 H new ATOM 0 HG21 THR A 36 9.203 -6.290 -3.284 1.00 72.14 H new ATOM 0 HG22 THR A 36 7.901 -7.084 -2.367 1.00 72.14 H new ATOM 0 HG23 THR A 36 7.843 -5.329 -2.656 1.00 72.14 H new ATOM 538 N ILE A 37 7.670 -3.433 0.069 1.00 43.23 N ATOM 539 CA ILE A 37 6.814 -2.279 -0.177 1.00 41.24 C ATOM 540 C ILE A 37 7.617 -1.108 -0.734 1.00 30.02 C ATOM 541 O ILE A 37 8.805 -0.966 -0.446 1.00 41.20 O ATOM 542 CB ILE A 37 6.093 -1.829 1.107 1.00 64.33 C ATOM 543 CG1 ILE A 37 5.032 -0.776 0.779 1.00 21.23 C ATOM 544 CG2 ILE A 37 7.095 -1.283 2.113 1.00 72.13 C ATOM 545 CD1 ILE A 37 4.068 -0.517 1.915 1.00 73.13 C ATOM 0 H ILE A 37 8.550 -3.214 0.536 1.00 43.23 H new ATOM 0 HA ILE A 37 6.070 -2.588 -0.911 1.00 41.24 H new ATOM 0 HB ILE A 37 5.597 -2.693 1.550 1.00 64.33 H new ATOM 0 HG12 ILE A 37 5.528 0.158 0.514 1.00 21.23 H new ATOM 0 HG13 ILE A 37 4.470 -1.099 -0.098 1.00 21.23 H new ATOM 0 HG21 ILE A 37 6.570 -0.969 3.015 1.00 72.13 H new ATOM 0 HG22 ILE A 37 7.817 -2.059 2.365 1.00 72.13 H new ATOM 0 HG23 ILE A 37 7.616 -0.429 1.681 1.00 72.13 H new ATOM 0 HD11 ILE A 37 3.344 0.240 1.613 1.00 73.13 H new ATOM 0 HD12 ILE A 37 3.545 -1.440 2.166 1.00 73.13 H new ATOM 0 HD13 ILE A 37 4.619 -0.164 2.787 1.00 73.13 H new ATOM 557 N GLU A 38 6.960 -0.272 -1.530 1.00 11.10 N ATOM 558 CA GLU A 38 7.613 0.888 -2.126 1.00 52.00 C ATOM 559 C GLU A 38 6.656 2.075 -2.196 1.00 43.20 C ATOM 560 O GLU A 38 5.475 1.916 -2.502 1.00 32.21 O ATOM 561 CB GLU A 38 8.125 0.549 -3.527 1.00 5.42 C ATOM 562 CG GLU A 38 9.236 1.469 -4.007 1.00 60.41 C ATOM 563 CD GLU A 38 10.605 1.030 -3.527 1.00 24.11 C ATOM 564 OE1 GLU A 38 11.227 0.183 -4.202 1.00 30.42 O ATOM 565 OE2 GLU A 38 11.056 1.534 -2.477 1.00 41.10 O ATOM 0 H GLU A 38 5.976 -0.376 -1.778 1.00 11.10 H new ATOM 0 HA GLU A 38 8.458 1.161 -1.494 1.00 52.00 H new ATOM 0 HB2 GLU A 38 8.487 -0.479 -3.534 1.00 5.42 H new ATOM 0 HB3 GLU A 38 7.294 0.599 -4.231 1.00 5.42 H new ATOM 0 HG2 GLU A 38 9.230 1.502 -5.096 1.00 60.41 H new ATOM 0 HG3 GLU A 38 9.040 2.482 -3.657 1.00 60.41 H new ATOM 572 N ALA A 39 7.176 3.264 -1.909 1.00 71.32 N ATOM 573 CA ALA A 39 6.369 4.478 -1.941 1.00 43.44 C ATOM 574 C ALA A 39 6.804 5.396 -3.079 1.00 54.11 C ATOM 575 O ALA A 39 7.997 5.586 -3.314 1.00 53.30 O ATOM 576 CB ALA A 39 6.460 5.207 -0.608 1.00 43.33 C ATOM 0 H ALA A 39 8.152 3.413 -1.652 1.00 71.32 H new ATOM 0 HA ALA A 39 5.332 4.192 -2.116 1.00 43.44 H new ATOM 0 HB1 ALA A 39 5.853 6.111 -0.646 1.00 43.33 H new ATOM 0 HB2 ALA A 39 6.095 4.558 0.188 1.00 43.33 H new ATOM 0 HB3 ALA A 39 7.498 5.475 -0.410 1.00 43.33 H new ATOM 582 N ILE A 40 5.828 5.961 -3.781 1.00 51.42 N ATOM 583 CA ILE A 40 6.111 6.859 -4.894 1.00 52.44 C ATOM 584 C ILE A 40 4.981 7.866 -5.088 1.00 63.23 C ATOM 585 O ILE A 40 4.006 7.872 -4.339 1.00 15.30 O ATOM 586 CB ILE A 40 6.320 6.082 -6.207 1.00 70.51 C ATOM 587 CG1 ILE A 40 5.174 5.091 -6.427 1.00 0.02 C ATOM 588 CG2 ILE A 40 7.658 5.355 -6.184 1.00 55.32 C ATOM 589 CD1 ILE A 40 4.507 5.231 -7.777 1.00 52.01 C ATOM 0 H ILE A 40 4.835 5.813 -3.599 1.00 51.42 H new ATOM 0 HA ILE A 40 7.030 7.389 -4.645 1.00 52.44 H new ATOM 0 HB ILE A 40 6.327 6.791 -7.035 1.00 70.51 H new ATOM 0 HG12 ILE A 40 5.557 4.076 -6.323 1.00 0.02 H new ATOM 0 HG13 ILE A 40 4.427 5.231 -5.645 1.00 0.02 H new ATOM 0 HG21 ILE A 40 7.792 4.810 -7.118 1.00 55.32 H new ATOM 0 HG22 ILE A 40 8.464 6.080 -6.068 1.00 55.32 H new ATOM 0 HG23 ILE A 40 7.677 4.654 -5.349 1.00 55.32 H new ATOM 0 HD11 ILE A 40 3.705 4.498 -7.864 1.00 52.01 H new ATOM 0 HD12 ILE A 40 4.094 6.235 -7.876 1.00 52.01 H new ATOM 0 HD13 ILE A 40 5.241 5.061 -8.565 1.00 52.01 H new ATOM 601 N ALA A 41 5.121 8.715 -6.101 1.00 4.40 N ATOM 602 CA ALA A 41 4.111 9.724 -6.397 1.00 23.13 C ATOM 603 C ALA A 41 3.029 9.165 -7.313 1.00 74.43 C ATOM 604 O ALA A 41 3.108 8.020 -7.756 1.00 4.14 O ATOM 605 CB ALA A 41 4.758 10.949 -7.027 1.00 42.21 C ATOM 0 H ALA A 41 5.924 8.724 -6.730 1.00 4.40 H new ATOM 0 HA ALA A 41 3.640 10.017 -5.459 1.00 23.13 H new ATOM 0 HB1 ALA A 41 3.992 11.694 -7.243 1.00 42.21 H new ATOM 0 HB2 ALA A 41 5.490 11.370 -6.337 1.00 42.21 H new ATOM 0 HB3 ALA A 41 5.256 10.662 -7.953 1.00 42.21 H new ATOM 611 N GLU A 42 2.016 9.981 -7.593 1.00 5.24 N ATOM 612 CA GLU A 42 0.917 9.565 -8.456 1.00 42.51 C ATOM 613 C GLU A 42 1.277 9.757 -9.926 1.00 63.20 C ATOM 614 O GLU A 42 0.466 9.495 -10.816 1.00 4.14 O ATOM 615 CB GLU A 42 -0.349 10.357 -8.122 1.00 45.52 C ATOM 616 CG GLU A 42 -0.247 11.836 -8.456 1.00 74.15 C ATOM 617 CD GLU A 42 -0.468 12.723 -7.247 1.00 5.53 C ATOM 618 OE1 GLU A 42 -1.475 12.520 -6.537 1.00 32.22 O ATOM 619 OE2 GLU A 42 0.368 13.621 -7.009 1.00 53.41 O ATOM 0 H GLU A 42 1.935 10.933 -7.235 1.00 5.24 H new ATOM 0 HA GLU A 42 0.732 8.505 -8.281 1.00 42.51 H new ATOM 0 HB2 GLU A 42 -1.190 9.927 -8.666 1.00 45.52 H new ATOM 0 HB3 GLU A 42 -0.567 10.247 -7.060 1.00 45.52 H new ATOM 0 HG2 GLU A 42 0.736 12.042 -8.879 1.00 74.15 H new ATOM 0 HG3 GLU A 42 -0.982 12.083 -9.223 1.00 74.15 H new ATOM 626 N THR A 43 2.501 10.215 -10.175 1.00 53.02 N ATOM 627 CA THR A 43 2.969 10.444 -11.536 1.00 51.22 C ATOM 628 C THR A 43 3.252 9.126 -12.249 1.00 14.10 C ATOM 629 O THR A 43 2.826 8.920 -13.385 1.00 34.51 O ATOM 630 CB THR A 43 4.243 11.308 -11.555 1.00 2.04 C ATOM 631 OG1 THR A 43 5.313 10.618 -10.899 1.00 21.41 O ATOM 632 CG2 THR A 43 4.001 12.644 -10.869 1.00 10.24 C ATOM 0 H THR A 43 3.185 10.434 -9.451 1.00 53.02 H new ATOM 0 HA THR A 43 2.172 10.974 -12.059 1.00 51.22 H new ATOM 0 HB THR A 43 4.513 11.494 -12.594 1.00 2.04 H new ATOM 0 HG1 THR A 43 6.120 11.174 -10.917 1.00 21.41 H new ATOM 0 HG21 THR A 43 4.915 13.237 -10.895 1.00 10.24 H new ATOM 0 HG22 THR A 43 3.206 13.180 -11.387 1.00 10.24 H new ATOM 0 HG23 THR A 43 3.708 12.473 -9.833 1.00 10.24 H new ATOM 640 N ARG A 44 3.972 8.237 -11.573 1.00 44.02 N ATOM 641 CA ARG A 44 4.313 6.939 -12.143 1.00 22.42 C ATOM 642 C ARG A 44 3.551 5.819 -11.439 1.00 50.40 C ATOM 643 O ARG A 44 3.918 4.648 -11.537 1.00 73.34 O ATOM 644 CB ARG A 44 5.819 6.691 -12.037 1.00 35.55 C ATOM 645 CG ARG A 44 6.663 7.802 -12.639 1.00 60.44 C ATOM 646 CD ARG A 44 7.645 8.369 -11.625 1.00 73.42 C ATOM 647 NE ARG A 44 8.471 9.428 -12.197 1.00 61.43 N ATOM 648 CZ ARG A 44 9.575 9.889 -11.621 1.00 42.43 C ATOM 649 NH1 ARG A 44 9.983 9.388 -10.464 1.00 65.41 N ATOM 650 NH2 ARG A 44 10.275 10.856 -12.203 1.00 73.04 N ATOM 0 H ARG A 44 4.330 8.392 -10.631 1.00 44.02 H new ATOM 0 HA ARG A 44 4.026 6.945 -13.195 1.00 22.42 H new ATOM 0 HB2 ARG A 44 6.086 6.572 -10.987 1.00 35.55 H new ATOM 0 HB3 ARG A 44 6.060 5.752 -12.536 1.00 35.55 H new ATOM 0 HG2 ARG A 44 7.209 7.419 -13.501 1.00 60.44 H new ATOM 0 HG3 ARG A 44 6.013 8.598 -13.002 1.00 60.44 H new ATOM 0 HD2 ARG A 44 7.096 8.760 -10.768 1.00 73.42 H new ATOM 0 HD3 ARG A 44 8.286 7.569 -11.255 1.00 73.42 H new ATOM 0 HE ARG A 44 8.185 9.836 -13.087 1.00 61.43 H new ATOM 0 HH11 ARG A 44 9.448 8.646 -10.013 1.00 65.41 H new ATOM 0 HH12 ARG A 44 10.832 9.745 -10.025 1.00 65.41 H new ATOM 0 HH21 ARG A 44 9.965 11.245 -13.093 1.00 73.04 H new ATOM 0 HH22 ARG A 44 11.123 11.209 -11.760 1.00 73.04 H new ATOM 664 N LEU A 45 2.491 6.188 -10.728 1.00 42.53 N ATOM 665 CA LEU A 45 1.678 5.217 -10.006 1.00 73.33 C ATOM 666 C LEU A 45 0.958 4.283 -10.975 1.00 41.13 C ATOM 667 O LEU A 45 0.827 3.086 -10.718 1.00 13.12 O ATOM 668 CB LEU A 45 0.659 5.933 -9.120 1.00 30.35 C ATOM 669 CG LEU A 45 -0.497 5.078 -8.599 1.00 55.44 C ATOM 670 CD1 LEU A 45 0.021 3.977 -7.687 1.00 0.22 C ATOM 671 CD2 LEU A 45 -1.514 5.944 -7.869 1.00 33.23 C ATOM 0 H LEU A 45 2.175 7.153 -10.636 1.00 42.53 H new ATOM 0 HA LEU A 45 2.340 4.621 -9.378 1.00 73.33 H new ATOM 0 HB2 LEU A 45 1.185 6.356 -8.265 1.00 30.35 H new ATOM 0 HB3 LEU A 45 0.242 6.768 -9.683 1.00 30.35 H new ATOM 0 HG LEU A 45 -0.991 4.612 -9.451 1.00 55.44 H new ATOM 0 HD11 LEU A 45 -0.816 3.379 -7.326 1.00 0.22 H new ATOM 0 HD12 LEU A 45 0.710 3.339 -8.241 1.00 0.22 H new ATOM 0 HD13 LEU A 45 0.541 4.422 -6.839 1.00 0.22 H new ATOM 0 HD21 LEU A 45 -2.330 5.319 -7.505 1.00 33.23 H new ATOM 0 HD22 LEU A 45 -1.032 6.439 -7.026 1.00 33.23 H new ATOM 0 HD23 LEU A 45 -1.910 6.695 -8.553 1.00 33.23 H new ATOM 683 N SER A 46 0.495 4.838 -12.091 1.00 45.11 N ATOM 684 CA SER A 46 -0.211 4.056 -13.097 1.00 72.33 C ATOM 685 C SER A 46 0.765 3.225 -13.925 1.00 33.35 C ATOM 686 O SER A 46 0.379 2.237 -14.550 1.00 45.30 O ATOM 687 CB SER A 46 -1.019 4.976 -14.014 1.00 73.23 C ATOM 688 OG SER A 46 -1.036 6.303 -13.519 1.00 44.21 O ATOM 0 H SER A 46 0.597 5.827 -12.320 1.00 45.11 H new ATOM 0 HA SER A 46 -0.891 3.378 -12.582 1.00 72.33 H new ATOM 0 HB2 SER A 46 -0.590 4.964 -15.016 1.00 73.23 H new ATOM 0 HB3 SER A 46 -2.040 4.604 -14.100 1.00 73.23 H new ATOM 0 HG SER A 46 -1.557 6.871 -14.124 1.00 44.21 H new ATOM 694 N GLU A 47 2.029 3.632 -13.921 1.00 43.43 N ATOM 695 CA GLU A 47 3.062 2.927 -14.672 1.00 73.01 C ATOM 696 C GLU A 47 3.667 1.801 -13.839 1.00 1.20 C ATOM 697 O GLU A 47 4.192 0.827 -14.378 1.00 75.15 O ATOM 698 CB GLU A 47 4.159 3.898 -15.111 1.00 72.13 C ATOM 699 CG GLU A 47 4.210 4.121 -16.613 1.00 74.35 C ATOM 700 CD GLU A 47 5.610 4.422 -17.112 1.00 55.50 C ATOM 701 OE1 GLU A 47 6.380 5.062 -16.365 1.00 50.44 O ATOM 702 OE2 GLU A 47 5.935 4.018 -18.247 1.00 43.31 O ATOM 0 H GLU A 47 2.364 4.446 -13.406 1.00 43.43 H new ATOM 0 HA GLU A 47 2.598 2.492 -15.557 1.00 73.01 H new ATOM 0 HB2 GLU A 47 4.004 4.856 -14.615 1.00 72.13 H new ATOM 0 HB3 GLU A 47 5.124 3.518 -14.776 1.00 72.13 H new ATOM 0 HG2 GLU A 47 3.830 3.235 -17.121 1.00 74.35 H new ATOM 0 HG3 GLU A 47 3.549 4.947 -16.876 1.00 74.35 H new ATOM 709 N VAL A 48 3.589 1.942 -12.520 1.00 5.55 N ATOM 710 CA VAL A 48 4.129 0.939 -11.609 1.00 70.24 C ATOM 711 C VAL A 48 3.054 -0.059 -11.194 1.00 22.15 C ATOM 712 O VAL A 48 3.340 -1.234 -10.960 1.00 22.30 O ATOM 713 CB VAL A 48 4.727 1.588 -10.348 1.00 50.23 C ATOM 714 CG1 VAL A 48 5.841 2.555 -10.721 1.00 1.01 C ATOM 715 CG2 VAL A 48 3.643 2.293 -9.547 1.00 1.53 C ATOM 0 H VAL A 48 3.157 2.742 -12.058 1.00 5.55 H new ATOM 0 HA VAL A 48 4.920 0.416 -12.147 1.00 70.24 H new ATOM 0 HB VAL A 48 5.155 0.803 -9.725 1.00 50.23 H new ATOM 0 HG11 VAL A 48 6.251 3.004 -9.816 1.00 1.01 H new ATOM 0 HG12 VAL A 48 6.629 2.017 -11.248 1.00 1.01 H new ATOM 0 HG13 VAL A 48 5.442 3.338 -11.366 1.00 1.01 H new ATOM 0 HG21 VAL A 48 4.083 2.746 -8.659 1.00 1.53 H new ATOM 0 HG22 VAL A 48 3.184 3.068 -10.160 1.00 1.53 H new ATOM 0 HG23 VAL A 48 2.884 1.570 -9.247 1.00 1.53 H new ATOM 725 N VAL A 49 1.816 0.416 -11.102 1.00 64.45 N ATOM 726 CA VAL A 49 0.698 -0.435 -10.716 1.00 71.32 C ATOM 727 C VAL A 49 0.562 -1.626 -11.658 1.00 32.33 C ATOM 728 O VAL A 49 0.024 -2.669 -11.284 1.00 61.11 O ATOM 729 CB VAL A 49 -0.627 0.350 -10.706 1.00 53.43 C ATOM 730 CG1 VAL A 49 -1.019 0.756 -12.118 1.00 42.33 C ATOM 731 CG2 VAL A 49 -1.729 -0.473 -10.054 1.00 65.03 C ATOM 0 H VAL A 49 1.562 1.386 -11.290 1.00 64.45 H new ATOM 0 HA VAL A 49 0.908 -0.794 -9.708 1.00 71.32 H new ATOM 0 HB VAL A 49 -0.486 1.258 -10.119 1.00 53.43 H new ATOM 0 HG11 VAL A 49 -1.958 1.309 -12.090 1.00 42.33 H new ATOM 0 HG12 VAL A 49 -0.239 1.386 -12.545 1.00 42.33 H new ATOM 0 HG13 VAL A 49 -1.142 -0.136 -12.732 1.00 42.33 H new ATOM 0 HG21 VAL A 49 -2.658 0.097 -10.055 1.00 65.03 H new ATOM 0 HG22 VAL A 49 -1.870 -1.399 -10.612 1.00 65.03 H new ATOM 0 HG23 VAL A 49 -1.449 -0.707 -9.027 1.00 65.03 H new ATOM 741 N ASP A 50 1.053 -1.465 -12.881 1.00 70.12 N ATOM 742 CA ASP A 50 0.989 -2.528 -13.878 1.00 11.52 C ATOM 743 C ASP A 50 1.856 -3.713 -13.465 1.00 31.33 C ATOM 744 O ASP A 50 1.527 -4.865 -13.751 1.00 40.20 O ATOM 745 CB ASP A 50 1.436 -2.004 -15.243 1.00 44.35 C ATOM 746 CG ASP A 50 0.844 -2.798 -16.391 1.00 62.01 C ATOM 747 OD1 ASP A 50 -0.311 -3.256 -16.262 1.00 42.22 O ATOM 748 OD2 ASP A 50 1.534 -2.960 -17.418 1.00 44.15 O ATOM 0 H ASP A 50 1.500 -0.608 -13.207 1.00 70.12 H new ATOM 0 HA ASP A 50 -0.045 -2.865 -13.948 1.00 11.52 H new ATOM 0 HB2 ASP A 50 1.145 -0.958 -15.340 1.00 44.35 H new ATOM 0 HB3 ASP A 50 2.524 -2.039 -15.304 1.00 44.35 H new ATOM 753 N ARG A 51 2.963 -3.423 -12.791 1.00 2.20 N ATOM 754 CA ARG A 51 3.879 -4.465 -12.341 1.00 12.24 C ATOM 755 C ARG A 51 3.586 -4.858 -10.895 1.00 53.10 C ATOM 756 O ARG A 51 3.548 -6.042 -10.558 1.00 40.01 O ATOM 757 CB ARG A 51 5.328 -3.991 -12.468 1.00 31.12 C ATOM 758 CG ARG A 51 5.705 -3.556 -13.874 1.00 64.21 C ATOM 759 CD ARG A 51 7.193 -3.735 -14.132 1.00 31.24 C ATOM 760 NE ARG A 51 7.670 -2.869 -15.207 1.00 20.41 N ATOM 761 CZ ARG A 51 8.896 -2.933 -15.712 1.00 64.41 C ATOM 762 NH1 ARG A 51 9.765 -3.818 -15.243 1.00 65.22 N ATOM 763 NH2 ARG A 51 9.257 -2.111 -16.690 1.00 35.31 N ATOM 0 H ARG A 51 3.248 -2.475 -12.544 1.00 2.20 H new ATOM 0 HA ARG A 51 3.734 -5.340 -12.975 1.00 12.24 H new ATOM 0 HB2 ARG A 51 5.490 -3.159 -11.783 1.00 31.12 H new ATOM 0 HB3 ARG A 51 5.993 -4.796 -12.155 1.00 31.12 H new ATOM 0 HG2 ARG A 51 5.136 -4.136 -14.600 1.00 64.21 H new ATOM 0 HG3 ARG A 51 5.433 -2.510 -14.018 1.00 64.21 H new ATOM 0 HD2 ARG A 51 7.748 -3.519 -13.219 1.00 31.24 H new ATOM 0 HD3 ARG A 51 7.394 -4.775 -14.388 1.00 31.24 H new ATOM 0 HE ARG A 51 7.026 -2.177 -15.591 1.00 20.41 H new ATOM 0 HH11 ARG A 51 9.492 -4.452 -14.492 1.00 65.22 H new ATOM 0 HH12 ARG A 51 10.706 -3.865 -15.633 1.00 65.22 H new ATOM 0 HH21 ARG A 51 8.592 -1.429 -17.054 1.00 35.31 H new ATOM 0 HH22 ARG A 51 10.199 -2.162 -17.077 1.00 35.31 H new ATOM 777 N PHE A 52 3.380 -3.858 -10.045 1.00 52.21 N ATOM 778 CA PHE A 52 3.092 -4.098 -8.636 1.00 74.42 C ATOM 779 C PHE A 52 1.899 -5.038 -8.478 1.00 5.52 C ATOM 780 O PHE A 52 1.245 -5.397 -9.456 1.00 15.14 O ATOM 781 CB PHE A 52 2.814 -2.776 -7.918 1.00 23.32 C ATOM 782 CG PHE A 52 4.049 -2.122 -7.366 1.00 61.50 C ATOM 783 CD1 PHE A 52 4.744 -2.700 -6.317 1.00 24.43 C ATOM 784 CD2 PHE A 52 4.513 -0.930 -7.896 1.00 62.33 C ATOM 785 CE1 PHE A 52 5.881 -2.102 -5.807 1.00 44.13 C ATOM 786 CE2 PHE A 52 5.649 -0.327 -7.391 1.00 71.43 C ATOM 787 CZ PHE A 52 6.334 -0.913 -6.345 1.00 34.22 C ATOM 0 H PHE A 52 3.407 -2.873 -10.308 1.00 52.21 H new ATOM 0 HA PHE A 52 3.966 -4.570 -8.187 1.00 74.42 H new ATOM 0 HB2 PHE A 52 2.329 -2.090 -8.612 1.00 23.32 H new ATOM 0 HB3 PHE A 52 2.112 -2.955 -7.103 1.00 23.32 H new ATOM 0 HD1 PHE A 52 4.393 -3.629 -5.892 1.00 24.43 H new ATOM 0 HD2 PHE A 52 3.981 -0.466 -8.713 1.00 62.33 H new ATOM 0 HE1 PHE A 52 6.414 -2.564 -4.989 1.00 44.13 H new ATOM 0 HE2 PHE A 52 6.001 0.602 -7.814 1.00 71.43 H new ATOM 0 HZ PHE A 52 7.222 -0.443 -5.948 1.00 34.22 H new ATOM 797 N ASP A 53 1.625 -5.431 -7.239 1.00 43.11 N ATOM 798 CA ASP A 53 0.512 -6.327 -6.950 1.00 11.10 C ATOM 799 C ASP A 53 -0.549 -5.623 -6.111 1.00 0.34 C ATOM 800 O ASP A 53 -1.724 -5.590 -6.475 1.00 72.05 O ATOM 801 CB ASP A 53 1.010 -7.576 -6.223 1.00 3.25 C ATOM 802 CG ASP A 53 1.553 -8.624 -7.175 1.00 34.31 C ATOM 803 OD1 ASP A 53 0.758 -9.172 -7.968 1.00 45.41 O ATOM 804 OD2 ASP A 53 2.770 -8.898 -7.125 1.00 51.05 O ATOM 0 H ASP A 53 2.159 -5.143 -6.419 1.00 43.11 H new ATOM 0 HA ASP A 53 0.062 -6.624 -7.897 1.00 11.10 H new ATOM 0 HB2 ASP A 53 1.789 -7.294 -5.515 1.00 3.25 H new ATOM 0 HB3 ASP A 53 0.193 -8.005 -5.643 1.00 3.25 H new ATOM 809 N VAL A 54 -0.127 -5.062 -4.981 1.00 54.14 N ATOM 810 CA VAL A 54 -1.041 -4.359 -4.089 1.00 41.24 C ATOM 811 C VAL A 54 -0.758 -2.860 -4.083 1.00 22.00 C ATOM 812 O VAL A 54 0.387 -2.433 -4.232 1.00 2.55 O ATOM 813 CB VAL A 54 -0.941 -4.894 -2.649 1.00 34.24 C ATOM 814 CG1 VAL A 54 -1.970 -4.217 -1.755 1.00 41.12 C ATOM 815 CG2 VAL A 54 -1.119 -6.405 -2.629 1.00 62.32 C ATOM 0 H VAL A 54 0.842 -5.081 -4.662 1.00 54.14 H new ATOM 0 HA VAL A 54 -2.049 -4.535 -4.465 1.00 41.24 H new ATOM 0 HB VAL A 54 0.051 -4.662 -2.262 1.00 34.24 H new ATOM 0 HG11 VAL A 54 -1.884 -4.608 -0.741 1.00 41.12 H new ATOM 0 HG12 VAL A 54 -1.792 -3.142 -1.746 1.00 41.12 H new ATOM 0 HG13 VAL A 54 -2.971 -4.416 -2.137 1.00 41.12 H new ATOM 0 HG21 VAL A 54 -1.045 -6.766 -1.603 1.00 62.32 H new ATOM 0 HG22 VAL A 54 -2.098 -6.661 -3.035 1.00 62.32 H new ATOM 0 HG23 VAL A 54 -0.342 -6.871 -3.235 1.00 62.32 H new ATOM 825 N VAL A 55 -1.809 -2.065 -3.910 1.00 73.54 N ATOM 826 CA VAL A 55 -1.675 -0.614 -3.882 1.00 73.33 C ATOM 827 C VAL A 55 -2.290 -0.029 -2.617 1.00 22.35 C ATOM 828 O VAL A 55 -3.247 -0.577 -2.067 1.00 64.21 O ATOM 829 CB VAL A 55 -2.342 0.034 -5.111 1.00 12.01 C ATOM 830 CG1 VAL A 55 -2.036 1.524 -5.159 1.00 73.01 C ATOM 831 CG2 VAL A 55 -1.887 -0.653 -6.389 1.00 25.45 C ATOM 0 H VAL A 55 -2.764 -2.402 -3.787 1.00 73.54 H new ATOM 0 HA VAL A 55 -0.607 -0.394 -3.898 1.00 73.33 H new ATOM 0 HB VAL A 55 -3.422 -0.090 -5.025 1.00 12.01 H new ATOM 0 HG11 VAL A 55 -2.515 1.966 -6.033 1.00 73.01 H new ATOM 0 HG12 VAL A 55 -2.416 2.003 -4.256 1.00 73.01 H new ATOM 0 HG13 VAL A 55 -0.958 1.672 -5.222 1.00 73.01 H new ATOM 0 HG21 VAL A 55 -2.368 -0.182 -7.246 1.00 25.45 H new ATOM 0 HG22 VAL A 55 -0.805 -0.563 -6.485 1.00 25.45 H new ATOM 0 HG23 VAL A 55 -2.161 -1.707 -6.353 1.00 25.45 H new ATOM 841 N LEU A 56 -1.734 1.086 -2.157 1.00 14.33 N ATOM 842 CA LEU A 56 -2.228 1.748 -0.954 1.00 44.14 C ATOM 843 C LEU A 56 -2.352 3.253 -1.172 1.00 30.32 C ATOM 844 O LEU A 56 -1.666 3.827 -2.018 1.00 52.42 O ATOM 845 CB LEU A 56 -1.295 1.467 0.225 1.00 11.12 C ATOM 846 CG LEU A 56 -1.511 0.139 0.950 1.00 60.30 C ATOM 847 CD1 LEU A 56 -0.530 -0.909 0.447 1.00 22.01 C ATOM 848 CD2 LEU A 56 -1.373 0.322 2.454 1.00 23.00 C ATOM 0 H LEU A 56 -0.941 1.551 -2.598 1.00 14.33 H new ATOM 0 HA LEU A 56 -3.218 1.350 -0.730 1.00 44.14 H new ATOM 0 HB2 LEU A 56 -0.267 1.498 -0.136 1.00 11.12 H new ATOM 0 HB3 LEU A 56 -1.403 2.275 0.949 1.00 11.12 H new ATOM 0 HG LEU A 56 -2.523 -0.207 0.738 1.00 60.30 H new ATOM 0 HD11 LEU A 56 -0.699 -1.848 0.974 1.00 22.01 H new ATOM 0 HD12 LEU A 56 -0.677 -1.062 -0.622 1.00 22.01 H new ATOM 0 HD13 LEU A 56 0.490 -0.569 0.628 1.00 22.01 H new ATOM 0 HD21 LEU A 56 -1.530 -0.634 2.953 1.00 23.00 H new ATOM 0 HD22 LEU A 56 -0.374 0.692 2.685 1.00 23.00 H new ATOM 0 HD23 LEU A 56 -2.116 1.040 2.803 1.00 23.00 H new ATOM 860 N LEU A 57 -3.230 3.886 -0.402 1.00 10.13 N ATOM 861 CA LEU A 57 -3.442 5.325 -0.508 1.00 54.03 C ATOM 862 C LEU A 57 -3.395 5.986 0.866 1.00 52.22 C ATOM 863 O LEU A 57 -3.578 5.328 1.888 1.00 30.33 O ATOM 864 CB LEU A 57 -4.787 5.613 -1.179 1.00 53.42 C ATOM 865 CG LEU A 57 -4.733 6.445 -2.461 1.00 62.03 C ATOM 866 CD1 LEU A 57 -6.072 6.408 -3.179 1.00 55.12 C ATOM 867 CD2 LEU A 57 -4.332 7.880 -2.150 1.00 20.41 C ATOM 0 H LEU A 57 -3.806 3.426 0.302 1.00 10.13 H new ATOM 0 HA LEU A 57 -2.641 5.742 -1.118 1.00 54.03 H new ATOM 0 HB2 LEU A 57 -5.268 4.662 -1.407 1.00 53.42 H new ATOM 0 HB3 LEU A 57 -5.425 6.129 -0.462 1.00 53.42 H new ATOM 0 HG LEU A 57 -3.979 6.013 -3.119 1.00 62.03 H new ATOM 0 HD11 LEU A 57 -6.014 7.006 -4.089 1.00 55.12 H new ATOM 0 HD12 LEU A 57 -6.318 5.378 -3.437 1.00 55.12 H new ATOM 0 HD13 LEU A 57 -6.846 6.814 -2.527 1.00 55.12 H new ATOM 0 HD21 LEU A 57 -4.299 8.457 -3.074 1.00 20.41 H new ATOM 0 HD22 LEU A 57 -5.061 8.323 -1.472 1.00 20.41 H new ATOM 0 HD23 LEU A 57 -3.348 7.889 -1.681 1.00 20.41 H new ATOM 879 N ALA A 58 -3.150 7.293 0.880 1.00 25.54 N ATOM 880 CA ALA A 58 -3.083 8.043 2.127 1.00 4.21 C ATOM 881 C ALA A 58 -4.343 8.876 2.336 1.00 73.43 C ATOM 882 O ALA A 58 -5.091 9.159 1.400 1.00 33.45 O ATOM 883 CB ALA A 58 -1.850 8.935 2.141 1.00 52.50 C ATOM 0 H ALA A 58 -2.995 7.853 0.042 1.00 25.54 H new ATOM 0 HA ALA A 58 -3.011 7.329 2.948 1.00 4.21 H new ATOM 0 HB1 ALA A 58 -1.813 9.490 3.079 1.00 52.50 H new ATOM 0 HB2 ALA A 58 -0.955 8.320 2.047 1.00 52.50 H new ATOM 0 HB3 ALA A 58 -1.898 9.635 1.307 1.00 52.50 H new ATOM 889 N PRO A 59 -4.588 9.277 3.592 1.00 24.21 N ATOM 890 CA PRO A 59 -5.758 10.083 3.952 1.00 2.24 C ATOM 891 C PRO A 59 -5.671 11.506 3.411 1.00 73.34 C ATOM 892 O PRO A 59 -6.672 12.219 3.355 1.00 55.23 O ATOM 893 CB PRO A 59 -5.724 10.091 5.483 1.00 13.21 C ATOM 894 CG PRO A 59 -4.294 9.869 5.832 1.00 4.21 C ATOM 895 CD PRO A 59 -3.738 8.976 4.757 1.00 11.25 C ATOM 0 HA PRO A 59 -6.678 9.676 3.533 1.00 2.24 H new ATOM 0 HB2 PRO A 59 -6.086 11.039 5.882 1.00 13.21 H new ATOM 0 HB3 PRO A 59 -6.359 9.307 5.897 1.00 13.21 H new ATOM 0 HG2 PRO A 59 -3.752 10.813 5.874 1.00 4.21 H new ATOM 0 HG3 PRO A 59 -4.200 9.404 6.813 1.00 4.21 H new ATOM 0 HD2 PRO A 59 -2.689 9.194 4.556 1.00 11.25 H new ATOM 0 HD3 PRO A 59 -3.798 7.924 5.037 1.00 11.25 H new ATOM 903 N GLN A 60 -4.471 11.910 3.012 1.00 5.40 N ATOM 904 CA GLN A 60 -4.255 13.249 2.474 1.00 31.40 C ATOM 905 C GLN A 60 -4.538 13.285 0.975 1.00 12.04 C ATOM 906 O GLN A 60 -3.638 13.092 0.159 1.00 72.00 O ATOM 907 CB GLN A 60 -2.820 13.706 2.745 1.00 34.42 C ATOM 908 CG GLN A 60 -2.644 15.214 2.701 1.00 51.41 C ATOM 909 CD GLN A 60 -1.210 15.642 2.944 1.00 64.02 C ATOM 910 OE1 GLN A 60 -0.276 15.070 2.381 1.00 41.13 O ATOM 911 NE2 GLN A 60 -1.028 16.653 3.785 1.00 30.51 N ATOM 0 H GLN A 60 -3.633 11.330 3.050 1.00 5.40 H new ATOM 0 HA GLN A 60 -4.945 13.929 2.973 1.00 31.40 H new ATOM 0 HB2 GLN A 60 -2.510 13.341 3.724 1.00 34.42 H new ATOM 0 HB3 GLN A 60 -2.157 13.250 2.010 1.00 34.42 H new ATOM 0 HG2 GLN A 60 -2.970 15.586 1.730 1.00 51.41 H new ATOM 0 HG3 GLN A 60 -3.288 15.673 3.451 1.00 51.41 H new ATOM 0 HE21 GLN A 60 -1.831 17.098 4.229 1.00 30.51 H new ATOM 0 HE22 GLN A 60 -0.085 16.985 3.987 1.00 30.51 H new ATOM 920 N SER A 61 -5.795 13.533 0.622 1.00 14.32 N ATOM 921 CA SER A 61 -6.199 13.591 -0.778 1.00 61.10 C ATOM 922 C SER A 61 -7.590 14.201 -0.918 1.00 42.22 C ATOM 923 O SER A 61 -8.526 13.802 -0.225 1.00 53.41 O ATOM 924 CB SER A 61 -6.179 12.191 -1.394 1.00 60.33 C ATOM 925 OG SER A 61 -5.922 11.204 -0.411 1.00 33.24 O ATOM 0 H SER A 61 -6.551 13.697 1.286 1.00 14.32 H new ATOM 0 HA SER A 61 -5.489 14.225 -1.310 1.00 61.10 H new ATOM 0 HB2 SER A 61 -7.136 11.989 -1.875 1.00 60.33 H new ATOM 0 HB3 SER A 61 -5.415 12.143 -2.170 1.00 60.33 H new ATOM 0 HG SER A 61 -5.916 10.318 -0.830 1.00 33.24 H new ATOM 931 N ARG A 62 -7.716 15.170 -1.819 1.00 74.41 N ATOM 932 CA ARG A 62 -8.992 15.836 -2.049 1.00 41.53 C ATOM 933 C ARG A 62 -9.780 15.135 -3.152 1.00 61.04 C ATOM 934 O ARG A 62 -10.863 14.600 -2.911 1.00 51.41 O ATOM 935 CB ARG A 62 -8.766 17.302 -2.423 1.00 43.34 C ATOM 936 CG ARG A 62 -9.366 18.284 -1.431 1.00 53.43 C ATOM 937 CD ARG A 62 -10.490 19.093 -2.058 1.00 44.24 C ATOM 938 NE ARG A 62 -10.863 20.241 -1.235 1.00 70.25 N ATOM 939 CZ ARG A 62 -11.826 21.096 -1.561 1.00 10.21 C ATOM 940 NH1 ARG A 62 -12.510 20.934 -2.685 1.00 40.11 N ATOM 941 NH2 ARG A 62 -12.108 22.116 -0.761 1.00 1.22 N ATOM 0 H ARG A 62 -6.951 15.511 -2.401 1.00 74.41 H new ATOM 0 HA ARG A 62 -9.570 15.788 -1.126 1.00 41.53 H new ATOM 0 HB2 ARG A 62 -7.695 17.487 -2.501 1.00 43.34 H new ATOM 0 HB3 ARG A 62 -9.194 17.487 -3.408 1.00 43.34 H new ATOM 0 HG2 ARG A 62 -9.746 17.742 -0.565 1.00 53.43 H new ATOM 0 HG3 ARG A 62 -8.589 18.958 -1.069 1.00 53.43 H new ATOM 0 HD2 ARG A 62 -10.181 19.439 -3.044 1.00 44.24 H new ATOM 0 HD3 ARG A 62 -11.360 18.453 -2.203 1.00 44.24 H new ATOM 0 HE ARG A 62 -10.357 20.394 -0.363 1.00 70.25 H new ATOM 0 HH11 ARG A 62 -12.298 20.151 -3.303 1.00 40.11 H new ATOM 0 HH12 ARG A 62 -13.249 21.593 -2.932 1.00 40.11 H new ATOM 0 HH21 ARG A 62 -11.585 22.244 0.105 1.00 1.22 H new ATOM 0 HH22 ARG A 62 -12.848 22.772 -1.012 1.00 1.22 H new ATOM 955 N PHE A 63 -9.230 15.143 -4.362 1.00 35.13 N ATOM 956 CA PHE A 63 -9.883 14.509 -5.502 1.00 5.10 C ATOM 957 C PHE A 63 -9.161 13.223 -5.894 1.00 73.34 C ATOM 958 O PHE A 63 -9.755 12.322 -6.486 1.00 22.10 O ATOM 959 CB PHE A 63 -9.921 15.469 -6.693 1.00 11.10 C ATOM 960 CG PHE A 63 -11.157 16.321 -6.736 1.00 74.43 C ATOM 961 CD1 PHE A 63 -11.240 17.483 -5.986 1.00 61.24 C ATOM 962 CD2 PHE A 63 -12.236 15.959 -7.526 1.00 52.34 C ATOM 963 CE1 PHE A 63 -12.376 18.269 -6.023 1.00 51.35 C ATOM 964 CE2 PHE A 63 -13.375 16.742 -7.568 1.00 3.10 C ATOM 965 CZ PHE A 63 -13.445 17.898 -6.815 1.00 22.23 C ATOM 0 H PHE A 63 -8.335 15.581 -4.578 1.00 35.13 H new ATOM 0 HA PHE A 63 -10.904 14.259 -5.213 1.00 5.10 H new ATOM 0 HB2 PHE A 63 -9.044 16.116 -6.656 1.00 11.10 H new ATOM 0 HB3 PHE A 63 -9.854 14.893 -7.616 1.00 11.10 H new ATOM 0 HD1 PHE A 63 -10.407 17.778 -5.365 1.00 61.24 H new ATOM 0 HD2 PHE A 63 -12.187 15.055 -8.115 1.00 52.34 H new ATOM 0 HE1 PHE A 63 -12.428 19.172 -5.433 1.00 51.35 H new ATOM 0 HE2 PHE A 63 -14.209 16.450 -8.189 1.00 3.10 H new ATOM 0 HZ PHE A 63 -14.334 18.511 -6.846 1.00 22.23 H new ATOM 975 N ASN A 64 -7.878 13.145 -5.560 1.00 11.20 N ATOM 976 CA ASN A 64 -7.075 11.969 -5.878 1.00 44.55 C ATOM 977 C ASN A 64 -7.758 10.696 -5.391 1.00 21.44 C ATOM 978 O ASN A 64 -7.938 9.744 -6.151 1.00 62.40 O ATOM 979 CB ASN A 64 -5.686 12.090 -5.249 1.00 1.03 C ATOM 980 CG ASN A 64 -4.992 13.386 -5.621 1.00 3.42 C ATOM 981 OD1 ASN A 64 -5.299 13.996 -6.646 1.00 32.41 O ATOM 982 ND2 ASN A 64 -4.051 13.814 -4.787 1.00 61.21 N ATOM 0 H ASN A 64 -7.371 13.882 -5.069 1.00 11.20 H new ATOM 0 HA ASN A 64 -6.972 11.912 -6.962 1.00 44.55 H new ATOM 0 HB2 ASN A 64 -5.775 12.027 -4.164 1.00 1.03 H new ATOM 0 HB3 ASN A 64 -5.072 11.248 -5.568 1.00 1.03 H new ATOM 0 HD21 ASN A 64 -3.550 14.680 -4.984 1.00 61.21 H new ATOM 0 HD22 ASN A 64 -3.829 13.276 -3.949 1.00 61.21 H new ATOM 989 N LYS A 65 -8.137 10.685 -4.118 1.00 75.11 N ATOM 990 CA LYS A 65 -8.804 9.530 -3.527 1.00 64.10 C ATOM 991 C LYS A 65 -10.019 9.121 -4.352 1.00 53.43 C ATOM 992 O LYS A 65 -10.212 7.943 -4.653 1.00 54.02 O ATOM 993 CB LYS A 65 -9.229 9.840 -2.091 1.00 13.12 C ATOM 994 CG LYS A 65 -10.034 11.121 -1.958 1.00 53.12 C ATOM 995 CD LYS A 65 -10.258 11.491 -0.501 1.00 64.32 C ATOM 996 CE LYS A 65 -11.093 10.442 0.217 1.00 14.24 C ATOM 997 NZ LYS A 65 -10.246 9.492 0.991 1.00 61.34 N ATOM 0 H LYS A 65 -7.994 11.463 -3.475 1.00 75.11 H new ATOM 0 HA LYS A 65 -8.098 8.700 -3.519 1.00 64.10 H new ATOM 0 HB2 LYS A 65 -9.820 9.008 -1.708 1.00 13.12 H new ATOM 0 HB3 LYS A 65 -8.339 9.913 -1.465 1.00 13.12 H new ATOM 0 HG2 LYS A 65 -9.513 11.933 -2.465 1.00 53.12 H new ATOM 0 HG3 LYS A 65 -10.996 11.000 -2.456 1.00 53.12 H new ATOM 0 HD2 LYS A 65 -9.296 11.598 0.001 1.00 64.32 H new ATOM 0 HD3 LYS A 65 -10.757 12.458 -0.442 1.00 64.32 H new ATOM 0 HE2 LYS A 65 -11.794 10.935 0.891 1.00 14.24 H new ATOM 0 HE3 LYS A 65 -11.686 9.889 -0.512 1.00 14.24 H new ATOM 0 HZ1 LYS A 65 -10.673 8.544 0.962 1.00 61.34 H new ATOM 0 HZ2 LYS A 65 -9.294 9.456 0.574 1.00 61.34 H new ATOM 0 HZ3 LYS A 65 -10.179 9.812 1.978 1.00 61.34 H new ATOM 1011 N LYS A 66 -10.838 10.103 -4.717 1.00 43.21 N ATOM 1012 CA LYS A 66 -12.034 9.848 -5.511 1.00 32.52 C ATOM 1013 C LYS A 66 -11.678 9.173 -6.831 1.00 42.31 C ATOM 1014 O LYS A 66 -12.307 8.193 -7.228 1.00 55.14 O ATOM 1015 CB LYS A 66 -12.782 11.156 -5.779 1.00 4.12 C ATOM 1016 CG LYS A 66 -14.292 11.002 -5.786 1.00 32.13 C ATOM 1017 CD LYS A 66 -14.825 10.797 -7.194 1.00 55.23 C ATOM 1018 CE LYS A 66 -15.986 11.735 -7.492 1.00 52.25 C ATOM 1019 NZ LYS A 66 -16.664 11.388 -8.772 1.00 32.31 N ATOM 0 H LYS A 66 -10.694 11.083 -4.475 1.00 43.21 H new ATOM 0 HA LYS A 66 -12.680 9.177 -4.944 1.00 32.52 H new ATOM 0 HB2 LYS A 66 -12.503 11.886 -5.020 1.00 4.12 H new ATOM 0 HB3 LYS A 66 -12.462 11.558 -6.740 1.00 4.12 H new ATOM 0 HG2 LYS A 66 -14.575 10.154 -5.162 1.00 32.13 H new ATOM 0 HG3 LYS A 66 -14.751 11.888 -5.348 1.00 32.13 H new ATOM 0 HD2 LYS A 66 -14.025 10.965 -7.915 1.00 55.23 H new ATOM 0 HD3 LYS A 66 -15.150 9.764 -7.314 1.00 55.23 H new ATOM 0 HE2 LYS A 66 -16.707 11.692 -6.676 1.00 52.25 H new ATOM 0 HE3 LYS A 66 -15.621 12.761 -7.541 1.00 52.25 H new ATOM 0 HZ1 LYS A 66 -17.449 12.049 -8.940 1.00 32.31 H new ATOM 0 HZ2 LYS A 66 -15.982 11.454 -9.555 1.00 32.31 H new ATOM 0 HZ3 LYS A 66 -17.035 10.418 -8.717 1.00 32.31 H new ATOM 1033 N ARG A 67 -10.663 9.704 -7.506 1.00 70.23 N ATOM 1034 CA ARG A 67 -10.223 9.152 -8.782 1.00 12.11 C ATOM 1035 C ARG A 67 -9.778 7.701 -8.623 1.00 32.13 C ATOM 1036 O ARG A 67 -10.391 6.788 -9.178 1.00 50.50 O ATOM 1037 CB ARG A 67 -9.077 9.988 -9.355 1.00 71.23 C ATOM 1038 CG ARG A 67 -9.438 10.717 -10.639 1.00 51.00 C ATOM 1039 CD ARG A 67 -8.683 12.030 -10.766 1.00 2.11 C ATOM 1040 NE ARG A 67 -9.023 12.742 -11.994 1.00 75.30 N ATOM 1041 CZ ARG A 67 -8.641 13.987 -12.252 1.00 50.15 C ATOM 1042 NH1 ARG A 67 -7.908 14.655 -11.372 1.00 43.31 N ATOM 1043 NH2 ARG A 67 -8.991 14.567 -13.394 1.00 3.42 N ATOM 0 H ARG A 67 -10.131 10.515 -7.191 1.00 70.23 H new ATOM 0 HA ARG A 67 -11.066 9.182 -9.472 1.00 12.11 H new ATOM 0 HB2 ARG A 67 -8.763 10.718 -8.609 1.00 71.23 H new ATOM 0 HB3 ARG A 67 -8.223 9.337 -9.544 1.00 71.23 H new ATOM 0 HG2 ARG A 67 -9.211 10.082 -11.495 1.00 51.00 H new ATOM 0 HG3 ARG A 67 -10.511 10.910 -10.660 1.00 51.00 H new ATOM 0 HD2 ARG A 67 -8.908 12.662 -9.907 1.00 2.11 H new ATOM 0 HD3 ARG A 67 -7.611 11.835 -10.746 1.00 2.11 H new ATOM 0 HE ARG A 67 -9.585 12.256 -12.693 1.00 75.30 H new ATOM 0 HH11 ARG A 67 -7.636 14.212 -10.494 1.00 43.31 H new ATOM 0 HH12 ARG A 67 -7.616 15.611 -11.573 1.00 43.31 H new ATOM 0 HH21 ARG A 67 -9.554 14.056 -14.074 1.00 3.42 H new ATOM 0 HH22 ARG A 67 -8.697 15.524 -13.591 1.00 3.42 H new ATOM 1057 N LEU A 68 -8.709 7.496 -7.862 1.00 45.15 N ATOM 1058 CA LEU A 68 -8.180 6.156 -7.630 1.00 14.13 C ATOM 1059 C LEU A 68 -9.285 5.207 -7.175 1.00 61.43 C ATOM 1060 O LEU A 68 -9.261 4.018 -7.488 1.00 25.44 O ATOM 1061 CB LEU A 68 -7.066 6.200 -6.583 1.00 30.00 C ATOM 1062 CG LEU A 68 -5.645 5.987 -7.105 1.00 10.14 C ATOM 1063 CD1 LEU A 68 -4.624 6.331 -6.032 1.00 33.14 C ATOM 1064 CD2 LEU A 68 -5.461 4.552 -7.579 1.00 53.31 C ATOM 0 H LEU A 68 -8.191 8.240 -7.395 1.00 45.15 H new ATOM 0 HA LEU A 68 -7.771 5.785 -8.570 1.00 14.13 H new ATOM 0 HB2 LEU A 68 -7.106 7.166 -6.080 1.00 30.00 H new ATOM 0 HB3 LEU A 68 -7.273 5.440 -5.830 1.00 30.00 H new ATOM 0 HG LEU A 68 -5.487 6.653 -7.954 1.00 10.14 H new ATOM 0 HD11 LEU A 68 -3.619 6.173 -6.422 1.00 33.14 H new ATOM 0 HD12 LEU A 68 -4.740 7.375 -5.740 1.00 33.14 H new ATOM 0 HD13 LEU A 68 -4.780 5.692 -5.163 1.00 33.14 H new ATOM 0 HD21 LEU A 68 -4.444 4.418 -7.947 1.00 53.31 H new ATOM 0 HD22 LEU A 68 -5.639 3.869 -6.749 1.00 53.31 H new ATOM 0 HD23 LEU A 68 -6.168 4.340 -8.381 1.00 53.31 H new ATOM 1076 N GLU A 69 -10.252 5.743 -6.437 1.00 20.12 N ATOM 1077 CA GLU A 69 -11.365 4.943 -5.940 1.00 43.33 C ATOM 1078 C GLU A 69 -12.292 4.534 -7.081 1.00 72.11 C ATOM 1079 O GLU A 69 -12.537 3.348 -7.299 1.00 53.23 O ATOM 1080 CB GLU A 69 -12.152 5.723 -4.885 1.00 22.11 C ATOM 1081 CG GLU A 69 -11.605 5.563 -3.476 1.00 60.50 C ATOM 1082 CD GLU A 69 -12.512 6.173 -2.426 1.00 4.12 C ATOM 1083 OE1 GLU A 69 -13.571 5.577 -2.138 1.00 63.02 O ATOM 1084 OE2 GLU A 69 -12.163 7.245 -1.890 1.00 3.12 O ATOM 0 H GLU A 69 -10.287 6.727 -6.170 1.00 20.12 H new ATOM 0 HA GLU A 69 -10.956 4.041 -5.485 1.00 43.33 H new ATOM 0 HB2 GLU A 69 -12.148 6.780 -5.149 1.00 22.11 H new ATOM 0 HB3 GLU A 69 -13.191 5.394 -4.902 1.00 22.11 H new ATOM 0 HG2 GLU A 69 -11.468 4.503 -3.261 1.00 60.50 H new ATOM 0 HG3 GLU A 69 -10.622 6.030 -3.417 1.00 60.50 H new ATOM 1091 N GLU A 70 -12.803 5.525 -7.805 1.00 62.24 N ATOM 1092 CA GLU A 70 -13.704 5.267 -8.923 1.00 65.00 C ATOM 1093 C GLU A 70 -13.009 4.443 -10.003 1.00 72.24 C ATOM 1094 O GLU A 70 -13.661 3.857 -10.867 1.00 73.24 O ATOM 1095 CB GLU A 70 -14.207 6.585 -9.516 1.00 3.13 C ATOM 1096 CG GLU A 70 -13.126 7.387 -10.222 1.00 31.41 C ATOM 1097 CD GLU A 70 -13.686 8.552 -11.012 1.00 54.32 C ATOM 1098 OE1 GLU A 70 -14.617 9.217 -10.511 1.00 32.13 O ATOM 1099 OE2 GLU A 70 -13.193 8.802 -12.133 1.00 35.42 O ATOM 0 H GLU A 70 -12.609 6.512 -7.638 1.00 62.24 H new ATOM 0 HA GLU A 70 -14.554 4.698 -8.547 1.00 65.00 H new ATOM 0 HB2 GLU A 70 -15.010 6.373 -10.222 1.00 3.13 H new ATOM 0 HB3 GLU A 70 -14.636 7.192 -8.719 1.00 3.13 H new ATOM 0 HG2 GLU A 70 -12.416 7.761 -9.484 1.00 31.41 H new ATOM 0 HG3 GLU A 70 -12.572 6.731 -10.893 1.00 31.41 H new ATOM 1106 N ILE A 71 -11.683 4.404 -9.948 1.00 5.20 N ATOM 1107 CA ILE A 71 -10.899 3.652 -10.920 1.00 51.23 C ATOM 1108 C ILE A 71 -10.594 2.248 -10.412 1.00 64.41 C ATOM 1109 O ILE A 71 -10.531 1.294 -11.189 1.00 10.04 O ATOM 1110 CB ILE A 71 -9.575 4.367 -11.249 1.00 65.53 C ATOM 1111 CG1 ILE A 71 -9.849 5.756 -11.828 1.00 22.35 C ATOM 1112 CG2 ILE A 71 -8.752 3.535 -12.221 1.00 62.11 C ATOM 1113 CD1 ILE A 71 -8.718 6.737 -11.607 1.00 30.21 C ATOM 0 H ILE A 71 -11.128 4.885 -9.240 1.00 5.20 H new ATOM 0 HA ILE A 71 -11.500 3.584 -11.826 1.00 51.23 H new ATOM 0 HB ILE A 71 -9.005 4.485 -10.328 1.00 65.53 H new ATOM 0 HG12 ILE A 71 -10.036 5.664 -12.898 1.00 22.35 H new ATOM 0 HG13 ILE A 71 -10.758 6.155 -11.379 1.00 22.35 H new ATOM 0 HG21 ILE A 71 -7.819 4.053 -12.444 1.00 62.11 H new ATOM 0 HG22 ILE A 71 -8.531 2.566 -11.774 1.00 62.11 H new ATOM 0 HG23 ILE A 71 -9.315 3.389 -13.143 1.00 62.11 H new ATOM 0 HD11 ILE A 71 -8.981 7.700 -12.044 1.00 30.21 H new ATOM 0 HD12 ILE A 71 -8.545 6.858 -10.538 1.00 30.21 H new ATOM 0 HD13 ILE A 71 -7.812 6.360 -12.080 1.00 30.21 H new ATOM 1125 N THR A 72 -10.405 2.126 -9.102 1.00 32.43 N ATOM 1126 CA THR A 72 -10.108 0.837 -8.488 1.00 44.21 C ATOM 1127 C THR A 72 -11.324 -0.081 -8.520 1.00 15.53 C ATOM 1128 O THR A 72 -11.201 -1.285 -8.745 1.00 10.23 O ATOM 1129 CB THR A 72 -9.641 1.004 -7.030 1.00 4.33 C ATOM 1130 OG1 THR A 72 -10.432 2.000 -6.374 1.00 14.05 O ATOM 1131 CG2 THR A 72 -8.172 1.397 -6.973 1.00 71.22 C ATOM 0 H THR A 72 -10.452 2.905 -8.445 1.00 32.43 H new ATOM 0 HA THR A 72 -9.303 0.388 -9.070 1.00 44.21 H new ATOM 0 HB THR A 72 -9.765 0.048 -6.521 1.00 4.33 H new ATOM 0 HG1 THR A 72 -11.258 2.147 -6.880 1.00 14.05 H new ATOM 0 HG21 THR A 72 -7.865 1.509 -5.933 1.00 71.22 H new ATOM 0 HG22 THR A 72 -7.569 0.622 -7.447 1.00 71.22 H new ATOM 0 HG23 THR A 72 -8.027 2.341 -7.498 1.00 71.22 H new ATOM 1139 N LYS A 73 -12.500 0.495 -8.292 1.00 33.00 N ATOM 1140 CA LYS A 73 -13.741 -0.270 -8.296 1.00 22.33 C ATOM 1141 C LYS A 73 -13.850 -1.123 -9.555 1.00 73.15 C ATOM 1142 O LYS A 73 -13.954 -2.348 -9.497 1.00 72.31 O ATOM 1143 CB LYS A 73 -14.945 0.670 -8.197 1.00 25.31 C ATOM 1144 CG LYS A 73 -16.181 0.150 -8.909 1.00 13.40 C ATOM 1145 CD LYS A 73 -17.423 0.929 -8.507 1.00 73.24 C ATOM 1146 CE LYS A 73 -17.988 0.433 -7.185 1.00 74.42 C ATOM 1147 NZ LYS A 73 -19.450 0.694 -7.073 1.00 33.01 N ATOM 0 H LYS A 73 -12.619 1.490 -8.102 1.00 33.00 H new ATOM 0 HA LYS A 73 -13.733 -0.932 -7.430 1.00 22.33 H new ATOM 0 HB2 LYS A 73 -15.183 0.833 -7.146 1.00 25.31 H new ATOM 0 HB3 LYS A 73 -14.675 1.639 -8.617 1.00 25.31 H new ATOM 0 HG2 LYS A 73 -16.038 0.221 -9.987 1.00 13.40 H new ATOM 0 HG3 LYS A 73 -16.320 -0.905 -8.675 1.00 13.40 H new ATOM 0 HD2 LYS A 73 -17.179 1.988 -8.425 1.00 73.24 H new ATOM 0 HD3 LYS A 73 -18.180 0.836 -9.285 1.00 73.24 H new ATOM 0 HE2 LYS A 73 -17.802 -0.637 -7.089 1.00 74.42 H new ATOM 0 HE3 LYS A 73 -17.468 0.922 -6.361 1.00 74.42 H new ATOM 0 HZ1 LYS A 73 -19.797 0.341 -6.158 1.00 33.01 H new ATOM 0 HZ2 LYS A 73 -19.626 1.717 -7.139 1.00 33.01 H new ATOM 0 HZ3 LYS A 73 -19.950 0.206 -7.844 1.00 33.01 H new ATOM 1161 N PRO A 74 -13.825 -0.462 -10.722 1.00 72.21 N ATOM 1162 CA PRO A 74 -13.919 -1.141 -12.018 1.00 40.25 C ATOM 1163 C PRO A 74 -12.669 -1.952 -12.339 1.00 41.35 C ATOM 1164 O PRO A 74 -12.752 -3.045 -12.900 1.00 21.04 O ATOM 1165 CB PRO A 74 -14.077 0.013 -13.013 1.00 4.45 C ATOM 1166 CG PRO A 74 -13.449 1.183 -12.337 1.00 31.12 C ATOM 1167 CD PRO A 74 -13.704 0.998 -10.867 1.00 10.25 C ATOM 0 HA PRO A 74 -14.739 -1.859 -12.043 1.00 40.25 H new ATOM 0 HB2 PRO A 74 -13.584 -0.209 -13.959 1.00 4.45 H new ATOM 0 HB3 PRO A 74 -15.127 0.202 -13.237 1.00 4.45 H new ATOM 0 HG2 PRO A 74 -12.380 1.226 -12.545 1.00 31.12 H new ATOM 0 HG3 PRO A 74 -13.881 2.118 -12.693 1.00 31.12 H new ATOM 0 HD2 PRO A 74 -12.887 1.395 -10.265 1.00 10.25 H new ATOM 0 HD3 PRO A 74 -14.612 1.510 -10.549 1.00 10.25 H new ATOM 1175 N LYS A 75 -11.509 -1.411 -11.981 1.00 0.11 N ATOM 1176 CA LYS A 75 -10.240 -2.085 -12.228 1.00 61.15 C ATOM 1177 C LYS A 75 -10.152 -3.386 -11.437 1.00 62.32 C ATOM 1178 O LYS A 75 -9.400 -4.292 -11.795 1.00 52.12 O ATOM 1179 CB LYS A 75 -9.072 -1.169 -11.856 1.00 65.14 C ATOM 1180 CG LYS A 75 -8.730 -0.152 -12.932 1.00 30.10 C ATOM 1181 CD LYS A 75 -7.541 -0.599 -13.765 1.00 74.42 C ATOM 1182 CE LYS A 75 -6.744 0.589 -14.283 1.00 15.24 C ATOM 1183 NZ LYS A 75 -5.289 0.445 -14.003 1.00 24.41 N ATOM 0 H LYS A 75 -11.422 -0.506 -11.518 1.00 0.11 H new ATOM 0 HA LYS A 75 -10.184 -2.322 -13.290 1.00 61.15 H new ATOM 0 HB2 LYS A 75 -9.314 -0.642 -10.933 1.00 65.14 H new ATOM 0 HB3 LYS A 75 -8.193 -1.780 -11.653 1.00 65.14 H new ATOM 0 HG2 LYS A 75 -9.594 -0.003 -13.580 1.00 30.10 H new ATOM 0 HG3 LYS A 75 -8.509 0.809 -12.468 1.00 30.10 H new ATOM 0 HD2 LYS A 75 -6.894 -1.238 -13.164 1.00 74.42 H new ATOM 0 HD3 LYS A 75 -7.890 -1.199 -14.606 1.00 74.42 H new ATOM 0 HE2 LYS A 75 -6.899 0.690 -15.357 1.00 15.24 H new ATOM 0 HE3 LYS A 75 -7.114 1.504 -13.821 1.00 15.24 H new ATOM 0 HZ1 LYS A 75 -4.781 1.274 -14.371 1.00 24.41 H new ATOM 0 HZ2 LYS A 75 -5.138 0.374 -12.976 1.00 24.41 H new ATOM 0 HZ3 LYS A 75 -4.930 -0.415 -14.465 1.00 24.41 H new ATOM 1197 N GLY A 76 -10.925 -3.472 -10.359 1.00 53.21 N ATOM 1198 CA GLY A 76 -10.920 -4.667 -9.535 1.00 54.35 C ATOM 1199 C GLY A 76 -9.530 -5.036 -9.059 1.00 60.40 C ATOM 1200 O GLY A 76 -9.054 -6.143 -9.311 1.00 43.13 O ATOM 0 H GLY A 76 -11.555 -2.735 -10.041 1.00 53.21 H new ATOM 0 HA2 GLY A 76 -11.567 -4.512 -8.672 1.00 54.35 H new ATOM 0 HA3 GLY A 76 -11.339 -5.498 -10.103 1.00 54.35 H new ATOM 1204 N ILE A 77 -8.876 -4.106 -8.370 1.00 32.44 N ATOM 1205 CA ILE A 77 -7.532 -4.340 -7.858 1.00 22.31 C ATOM 1206 C ILE A 77 -7.475 -4.134 -6.348 1.00 20.21 C ATOM 1207 O ILE A 77 -8.271 -3.397 -5.766 1.00 73.03 O ATOM 1208 CB ILE A 77 -6.504 -3.412 -8.530 1.00 43.20 C ATOM 1209 CG1 ILE A 77 -6.965 -1.956 -8.443 1.00 43.51 C ATOM 1210 CG2 ILE A 77 -6.290 -3.821 -9.981 1.00 13.31 C ATOM 1211 CD1 ILE A 77 -5.988 -1.055 -7.720 1.00 12.41 C ATOM 0 H ILE A 77 -9.255 -3.184 -8.154 1.00 32.44 H new ATOM 0 HA ILE A 77 -7.282 -5.375 -8.091 1.00 22.31 H new ATOM 0 HB ILE A 77 -5.554 -3.504 -8.003 1.00 43.20 H new ATOM 0 HG12 ILE A 77 -7.123 -1.572 -9.451 1.00 43.51 H new ATOM 0 HG13 ILE A 77 -7.928 -1.918 -7.933 1.00 43.51 H new ATOM 0 HG21 ILE A 77 -5.561 -3.156 -10.443 1.00 13.31 H new ATOM 0 HG22 ILE A 77 -5.922 -4.846 -10.020 1.00 13.31 H new ATOM 0 HG23 ILE A 77 -7.235 -3.755 -10.521 1.00 13.31 H new ATOM 0 HD11 ILE A 77 -6.380 -0.038 -7.696 1.00 12.41 H new ATOM 0 HD12 ILE A 77 -5.848 -1.414 -6.700 1.00 12.41 H new ATOM 0 HD13 ILE A 77 -5.031 -1.063 -8.242 1.00 12.41 H new ATOM 1223 N PRO A 78 -6.509 -4.798 -5.695 1.00 42.13 N ATOM 1224 CA PRO A 78 -6.323 -4.701 -4.245 1.00 71.51 C ATOM 1225 C PRO A 78 -5.806 -3.333 -3.816 1.00 45.04 C ATOM 1226 O PRO A 78 -4.604 -3.072 -3.860 1.00 44.52 O ATOM 1227 CB PRO A 78 -5.281 -5.783 -3.948 1.00 33.40 C ATOM 1228 CG PRO A 78 -4.531 -5.947 -5.224 1.00 12.43 C ATOM 1229 CD PRO A 78 -5.525 -5.694 -6.324 1.00 64.55 C ATOM 0 HA PRO A 78 -7.261 -4.832 -3.705 1.00 71.51 H new ATOM 0 HB2 PRO A 78 -4.619 -5.483 -3.136 1.00 33.40 H new ATOM 0 HB3 PRO A 78 -5.755 -6.716 -3.645 1.00 33.40 H new ATOM 0 HG2 PRO A 78 -3.699 -5.245 -5.281 1.00 12.43 H new ATOM 0 HG3 PRO A 78 -4.109 -6.949 -5.302 1.00 12.43 H new ATOM 0 HD2 PRO A 78 -5.055 -5.230 -7.191 1.00 64.55 H new ATOM 0 HD3 PRO A 78 -5.987 -6.619 -6.669 1.00 64.55 H new ATOM 1237 N ILE A 79 -6.721 -2.463 -3.403 1.00 24.34 N ATOM 1238 CA ILE A 79 -6.356 -1.121 -2.965 1.00 63.10 C ATOM 1239 C ILE A 79 -6.787 -0.877 -1.523 1.00 2.10 C ATOM 1240 O ILE A 79 -7.936 -1.124 -1.158 1.00 60.44 O ATOM 1241 CB ILE A 79 -6.987 -0.044 -3.866 1.00 43.32 C ATOM 1242 CG1 ILE A 79 -6.517 1.349 -3.440 1.00 33.33 C ATOM 1243 CG2 ILE A 79 -8.504 -0.135 -3.819 1.00 14.55 C ATOM 1244 CD1 ILE A 79 -5.060 1.614 -3.745 1.00 43.11 C ATOM 0 H ILE A 79 -7.720 -2.663 -3.362 1.00 24.34 H new ATOM 0 HA ILE A 79 -5.270 -1.051 -3.034 1.00 63.10 H new ATOM 0 HB ILE A 79 -6.665 -0.217 -4.893 1.00 43.32 H new ATOM 0 HG12 ILE A 79 -7.127 2.099 -3.943 1.00 33.33 H new ATOM 0 HG13 ILE A 79 -6.683 1.468 -2.369 1.00 33.33 H new ATOM 0 HG21 ILE A 79 -8.935 0.633 -4.461 1.00 14.55 H new ATOM 0 HG22 ILE A 79 -8.820 -1.118 -4.167 1.00 14.55 H new ATOM 0 HG23 ILE A 79 -8.846 0.015 -2.795 1.00 14.55 H new ATOM 0 HD11 ILE A 79 -4.796 2.619 -3.416 1.00 43.11 H new ATOM 0 HD12 ILE A 79 -4.440 0.887 -3.221 1.00 43.11 H new ATOM 0 HD13 ILE A 79 -4.891 1.527 -4.818 1.00 43.11 H new ATOM 1256 N GLU A 80 -5.857 -0.389 -0.707 1.00 53.33 N ATOM 1257 CA GLU A 80 -6.143 -0.110 0.696 1.00 41.14 C ATOM 1258 C GLU A 80 -5.887 1.359 1.021 1.00 63.30 C ATOM 1259 O GLU A 80 -5.126 2.036 0.329 1.00 71.51 O ATOM 1260 CB GLU A 80 -5.288 -1.001 1.599 1.00 73.01 C ATOM 1261 CG GLU A 80 -5.264 -2.459 1.171 1.00 41.13 C ATOM 1262 CD GLU A 80 -4.244 -2.729 0.081 1.00 71.42 C ATOM 1263 OE1 GLU A 80 -3.056 -2.407 0.288 1.00 24.23 O ATOM 1264 OE2 GLU A 80 -4.635 -3.262 -0.978 1.00 40.14 O ATOM 0 H GLU A 80 -4.901 -0.179 -0.993 1.00 53.33 H new ATOM 0 HA GLU A 80 -7.196 -0.326 0.877 1.00 41.14 H new ATOM 0 HB2 GLU A 80 -4.268 -0.618 1.611 1.00 73.01 H new ATOM 0 HB3 GLU A 80 -5.665 -0.937 2.620 1.00 73.01 H new ATOM 0 HG2 GLU A 80 -5.041 -3.084 2.036 1.00 41.13 H new ATOM 0 HG3 GLU A 80 -6.254 -2.746 0.817 1.00 41.13 H new ATOM 1271 N ILE A 81 -6.528 1.844 2.079 1.00 64.23 N ATOM 1272 CA ILE A 81 -6.369 3.231 2.497 1.00 33.05 C ATOM 1273 C ILE A 81 -6.048 3.324 3.984 1.00 10.24 C ATOM 1274 O ILE A 81 -6.802 2.833 4.825 1.00 50.05 O ATOM 1275 CB ILE A 81 -7.637 4.056 2.206 1.00 73.54 C ATOM 1276 CG1 ILE A 81 -7.965 4.015 0.712 1.00 73.44 C ATOM 1277 CG2 ILE A 81 -7.455 5.491 2.674 1.00 1.44 C ATOM 1278 CD1 ILE A 81 -8.900 2.889 0.329 1.00 41.23 C ATOM 0 H ILE A 81 -7.162 1.297 2.662 1.00 64.23 H new ATOM 0 HA ILE A 81 -5.538 3.640 1.922 1.00 33.05 H new ATOM 0 HB ILE A 81 -8.471 3.619 2.755 1.00 73.54 H new ATOM 0 HG12 ILE A 81 -8.414 4.964 0.421 1.00 73.44 H new ATOM 0 HG13 ILE A 81 -7.038 3.915 0.147 1.00 73.44 H new ATOM 0 HG21 ILE A 81 -8.360 6.061 2.461 1.00 1.44 H new ATOM 0 HG22 ILE A 81 -7.263 5.502 3.747 1.00 1.44 H new ATOM 0 HG23 ILE A 81 -6.612 5.940 2.150 1.00 1.44 H new ATOM 0 HD11 ILE A 81 -9.088 2.922 -0.744 1.00 41.23 H new ATOM 0 HD12 ILE A 81 -8.444 1.933 0.589 1.00 41.23 H new ATOM 0 HD13 ILE A 81 -9.842 3.000 0.866 1.00 41.23 H new ATOM 1290 N ILE A 82 -4.924 3.957 4.304 1.00 44.34 N ATOM 1291 CA ILE A 82 -4.504 4.117 5.690 1.00 31.22 C ATOM 1292 C ILE A 82 -5.348 5.169 6.402 1.00 43.42 C ATOM 1293 O ILE A 82 -5.242 6.362 6.118 1.00 63.41 O ATOM 1294 CB ILE A 82 -3.019 4.515 5.787 1.00 71.32 C ATOM 1295 CG1 ILE A 82 -2.165 3.594 4.913 1.00 1.20 C ATOM 1296 CG2 ILE A 82 -2.551 4.466 7.233 1.00 34.00 C ATOM 1297 CD1 ILE A 82 -0.698 3.961 4.903 1.00 4.43 C ATOM 0 H ILE A 82 -4.288 4.368 3.621 1.00 44.34 H new ATOM 0 HA ILE A 82 -4.645 3.151 6.175 1.00 31.22 H new ATOM 0 HB ILE A 82 -2.907 5.537 5.424 1.00 71.32 H new ATOM 0 HG12 ILE A 82 -2.272 2.569 5.267 1.00 1.20 H new ATOM 0 HG13 ILE A 82 -2.545 3.620 3.892 1.00 1.20 H new ATOM 0 HG21 ILE A 82 -1.500 4.750 7.285 1.00 34.00 H new ATOM 0 HG22 ILE A 82 -3.144 5.158 7.831 1.00 34.00 H new ATOM 0 HG23 ILE A 82 -2.673 3.455 7.621 1.00 34.00 H new ATOM 0 HD11 ILE A 82 -0.153 3.266 4.264 1.00 4.43 H new ATOM 0 HD12 ILE A 82 -0.579 4.975 4.521 1.00 4.43 H new ATOM 0 HD13 ILE A 82 -0.302 3.907 5.917 1.00 4.43 H new ATOM 1309 N ASN A 83 -6.186 4.718 7.331 1.00 44.50 N ATOM 1310 CA ASN A 83 -7.047 5.622 8.086 1.00 73.02 C ATOM 1311 C ASN A 83 -6.236 6.756 8.706 1.00 51.34 C ATOM 1312 O ASN A 83 -5.006 6.718 8.722 1.00 44.22 O ATOM 1313 CB ASN A 83 -7.791 4.854 9.180 1.00 41.41 C ATOM 1314 CG ASN A 83 -9.231 4.563 8.806 1.00 21.11 C ATOM 1315 OD1 ASN A 83 -9.501 3.889 7.811 1.00 14.33 O ATOM 1316 ND2 ASN A 83 -10.163 5.070 9.603 1.00 13.24 N ATOM 0 H ASN A 83 -6.287 3.734 7.579 1.00 44.50 H new ATOM 0 HA ASN A 83 -7.772 6.054 7.396 1.00 73.02 H new ATOM 0 HB2 ASN A 83 -7.273 3.915 9.377 1.00 41.41 H new ATOM 0 HB3 ASN A 83 -7.768 5.431 10.104 1.00 41.41 H new ATOM 0 HD21 ASN A 83 -11.150 4.907 9.402 1.00 13.24 H new ATOM 0 HD22 ASN A 83 -9.893 5.623 10.417 1.00 13.24 H new ATOM 1323 N THR A 84 -6.935 7.766 9.215 1.00 32.30 N ATOM 1324 CA THR A 84 -6.282 8.911 9.835 1.00 2.41 C ATOM 1325 C THR A 84 -5.395 8.476 10.996 1.00 32.13 C ATOM 1326 O THR A 84 -4.338 9.060 11.235 1.00 50.32 O ATOM 1327 CB THR A 84 -7.311 9.936 10.347 1.00 54.31 C ATOM 1328 OG1 THR A 84 -8.616 9.603 9.861 1.00 15.24 O ATOM 1329 CG2 THR A 84 -6.942 11.343 9.901 1.00 42.34 C ATOM 0 H THR A 84 -7.954 7.814 9.210 1.00 32.30 H new ATOM 0 HA THR A 84 -5.667 9.378 9.066 1.00 2.41 H new ATOM 0 HB THR A 84 -7.310 9.906 11.437 1.00 54.31 H new ATOM 0 HG1 THR A 84 -9.009 8.908 10.429 1.00 15.24 H new ATOM 0 HG21 THR A 84 -7.683 12.049 10.275 1.00 42.34 H new ATOM 0 HG22 THR A 84 -5.960 11.604 10.296 1.00 42.34 H new ATOM 0 HG23 THR A 84 -6.918 11.385 8.812 1.00 42.34 H new ATOM 1337 N ILE A 85 -5.831 7.447 11.715 1.00 32.11 N ATOM 1338 CA ILE A 85 -5.076 6.933 12.850 1.00 23.41 C ATOM 1339 C ILE A 85 -3.866 6.129 12.386 1.00 21.22 C ATOM 1340 O ILE A 85 -2.731 6.421 12.763 1.00 3.24 O ATOM 1341 CB ILE A 85 -5.951 6.046 13.754 1.00 21.33 C ATOM 1342 CG1 ILE A 85 -7.270 6.752 14.077 1.00 43.41 C ATOM 1343 CG2 ILE A 85 -5.206 5.695 15.034 1.00 31.20 C ATOM 1344 CD1 ILE A 85 -8.443 6.236 13.274 1.00 61.54 C ATOM 0 H ILE A 85 -6.704 6.953 11.531 1.00 32.11 H new ATOM 0 HA ILE A 85 -4.738 7.798 13.421 1.00 23.41 H new ATOM 0 HB ILE A 85 -6.176 5.122 13.222 1.00 21.33 H new ATOM 0 HG12 ILE A 85 -7.486 6.633 15.139 1.00 43.41 H new ATOM 0 HG13 ILE A 85 -7.156 7.820 13.893 1.00 43.41 H new ATOM 0 HG21 ILE A 85 -5.838 5.068 15.662 1.00 31.20 H new ATOM 0 HG22 ILE A 85 -4.291 5.156 14.787 1.00 31.20 H new ATOM 0 HG23 ILE A 85 -4.954 6.610 15.571 1.00 31.20 H new ATOM 0 HD11 ILE A 85 -9.344 6.781 13.555 1.00 61.54 H new ATOM 0 HD12 ILE A 85 -8.248 6.380 12.211 1.00 61.54 H new ATOM 0 HD13 ILE A 85 -8.584 5.174 13.476 1.00 61.54 H new ATOM 1356 N ASP A 86 -4.116 5.116 11.564 1.00 24.31 N ATOM 1357 CA ASP A 86 -3.047 4.270 11.045 1.00 1.01 C ATOM 1358 C ASP A 86 -1.942 5.115 10.416 1.00 12.24 C ATOM 1359 O ASP A 86 -0.759 4.800 10.542 1.00 72.23 O ATOM 1360 CB ASP A 86 -3.601 3.284 10.016 1.00 40.53 C ATOM 1361 CG ASP A 86 -4.397 2.165 10.656 1.00 13.30 C ATOM 1362 OD1 ASP A 86 -4.195 1.906 11.861 1.00 23.14 O ATOM 1363 OD2 ASP A 86 -5.224 1.548 9.953 1.00 71.24 O ATOM 0 H ASP A 86 -5.050 4.860 11.242 1.00 24.31 H new ATOM 0 HA ASP A 86 -2.622 3.711 11.879 1.00 1.01 H new ATOM 0 HB2 ASP A 86 -4.236 3.819 9.310 1.00 40.53 H new ATOM 0 HB3 ASP A 86 -2.776 2.858 9.445 1.00 40.53 H new ATOM 1368 N TYR A 87 -2.338 6.188 9.741 1.00 0.01 N ATOM 1369 CA TYR A 87 -1.382 7.076 9.090 1.00 55.02 C ATOM 1370 C TYR A 87 -0.799 8.074 10.086 1.00 70.20 C ATOM 1371 O TYR A 87 0.387 8.394 10.038 1.00 41.12 O ATOM 1372 CB TYR A 87 -2.053 7.822 7.935 1.00 2.35 C ATOM 1373 CG TYR A 87 -1.073 8.447 6.967 1.00 72.50 C ATOM 1374 CD1 TYR A 87 -0.033 7.701 6.425 1.00 40.10 C ATOM 1375 CD2 TYR A 87 -1.188 9.780 6.595 1.00 4.02 C ATOM 1376 CE1 TYR A 87 0.865 8.267 5.541 1.00 23.10 C ATOM 1377 CE2 TYR A 87 -0.295 10.353 5.710 1.00 62.12 C ATOM 1378 CZ TYR A 87 0.730 9.593 5.186 1.00 32.11 C ATOM 1379 OH TYR A 87 1.621 10.161 4.305 1.00 51.32 O ATOM 0 H TYR A 87 -3.314 6.464 9.630 1.00 0.01 H new ATOM 0 HA TYR A 87 -0.568 6.467 8.696 1.00 55.02 H new ATOM 0 HB2 TYR A 87 -2.696 7.130 7.392 1.00 2.35 H new ATOM 0 HB3 TYR A 87 -2.696 8.602 8.342 1.00 2.35 H new ATOM 0 HD1 TYR A 87 0.075 6.662 6.699 1.00 40.10 H new ATOM 0 HD2 TYR A 87 -1.988 10.379 7.004 1.00 4.02 H new ATOM 0 HE1 TYR A 87 1.669 7.674 5.130 1.00 23.10 H new ATOM 0 HE2 TYR A 87 -0.399 11.391 5.430 1.00 62.12 H new ATOM 0 HH TYR A 87 1.384 11.101 4.160 1.00 51.32 H new ATOM 1389 N GLY A 88 -1.645 8.561 10.989 1.00 61.04 N ATOM 1390 CA GLY A 88 -1.197 9.517 11.984 1.00 22.23 C ATOM 1391 C GLY A 88 -0.067 8.977 12.838 1.00 1.35 C ATOM 1392 O GLY A 88 0.837 9.718 13.227 1.00 44.02 O ATOM 0 H GLY A 88 -2.632 8.310 11.049 1.00 61.04 H new ATOM 0 HA2 GLY A 88 -0.868 10.429 11.485 1.00 22.23 H new ATOM 0 HA3 GLY A 88 -2.035 9.789 12.625 1.00 22.23 H new ATOM 1396 N THR A 89 -0.118 7.682 13.135 1.00 10.34 N ATOM 1397 CA THR A 89 0.908 7.045 13.952 1.00 55.43 C ATOM 1398 C THR A 89 1.950 6.351 13.083 1.00 51.43 C ATOM 1399 O THR A 89 3.091 6.157 13.501 1.00 1.50 O ATOM 1400 CB THR A 89 0.295 6.015 14.919 1.00 31.14 C ATOM 1401 OG1 THR A 89 1.334 5.321 15.619 1.00 63.32 O ATOM 1402 CG2 THR A 89 -0.571 5.015 14.167 1.00 15.44 C ATOM 0 H THR A 89 -0.858 7.054 12.822 1.00 10.34 H new ATOM 0 HA THR A 89 1.388 7.835 14.530 1.00 55.43 H new ATOM 0 HB THR A 89 -0.331 6.549 15.634 1.00 31.14 H new ATOM 0 HG1 THR A 89 0.936 4.669 16.233 1.00 63.32 H new ATOM 0 HG21 THR A 89 -0.993 4.298 14.871 1.00 15.44 H new ATOM 0 HG22 THR A 89 -1.378 5.543 13.659 1.00 15.44 H new ATOM 0 HG23 THR A 89 0.037 4.487 13.432 1.00 15.44 H new ATOM 1410 N MET A 90 1.551 5.982 11.870 1.00 25.03 N ATOM 1411 CA MET A 90 2.454 5.311 10.940 1.00 11.45 C ATOM 1412 C MET A 90 3.000 4.023 11.548 1.00 43.45 C ATOM 1413 O MET A 90 4.177 3.941 11.897 1.00 51.04 O ATOM 1414 CB MET A 90 3.608 6.239 10.559 1.00 24.52 C ATOM 1415 CG MET A 90 3.340 7.061 9.309 1.00 64.13 C ATOM 1416 SD MET A 90 4.358 8.546 9.222 1.00 5.12 S ATOM 1417 CE MET A 90 5.954 7.892 9.703 1.00 0.01 C ATOM 0 H MET A 90 0.610 6.136 11.508 1.00 25.03 H new ATOM 0 HA MET A 90 1.890 5.057 10.042 1.00 11.45 H new ATOM 0 HB2 MET A 90 3.811 6.914 11.391 1.00 24.52 H new ATOM 0 HB3 MET A 90 4.507 5.643 10.406 1.00 24.52 H new ATOM 0 HG2 MET A 90 3.525 6.446 8.428 1.00 64.13 H new ATOM 0 HG3 MET A 90 2.288 7.345 9.284 1.00 64.13 H new ATOM 0 HE1 MET A 90 6.730 8.624 9.478 1.00 0.01 H new ATOM 0 HE2 MET A 90 5.953 7.681 10.772 1.00 0.01 H new ATOM 0 HE3 MET A 90 6.152 6.973 9.152 1.00 0.01 H new ATOM 1427 N ASN A 91 2.138 3.020 11.671 1.00 73.21 N ATOM 1428 CA ASN A 91 2.535 1.735 12.237 1.00 55.34 C ATOM 1429 C ASN A 91 2.691 0.683 11.143 1.00 14.31 C ATOM 1430 O ASN A 91 1.704 0.180 10.606 1.00 43.34 O ATOM 1431 CB ASN A 91 1.504 1.267 13.267 1.00 41.45 C ATOM 1432 CG ASN A 91 0.097 1.239 12.704 1.00 74.42 C ATOM 1433 OD1 ASN A 91 -0.141 1.665 11.574 1.00 41.51 O ATOM 1434 ND2 ASN A 91 -0.845 0.733 13.492 1.00 55.12 N ATOM 0 H ASN A 91 1.160 3.071 11.387 1.00 73.21 H new ATOM 0 HA ASN A 91 3.498 1.866 12.730 1.00 55.34 H new ATOM 0 HB2 ASN A 91 1.772 0.271 13.618 1.00 41.45 H new ATOM 0 HB3 ASN A 91 1.533 1.929 14.133 1.00 41.45 H new ATOM 0 HD21 ASN A 91 -1.811 0.686 13.167 1.00 55.12 H new ATOM 0 HD22 ASN A 91 -0.603 0.391 14.422 1.00 55.12 H new ATOM 1441 N GLY A 92 3.937 0.355 10.818 1.00 64.01 N ATOM 1442 CA GLY A 92 4.200 -0.636 9.789 1.00 13.54 C ATOM 1443 C GLY A 92 3.433 -1.924 10.017 1.00 5.22 C ATOM 1444 O GLY A 92 2.993 -2.566 9.065 1.00 63.24 O ATOM 0 H GLY A 92 4.770 0.757 11.248 1.00 64.01 H new ATOM 0 HA2 GLY A 92 3.933 -0.225 8.816 1.00 13.54 H new ATOM 0 HA3 GLY A 92 5.268 -0.852 9.761 1.00 13.54 H new ATOM 1448 N GLU A 93 3.276 -2.302 11.282 1.00 43.23 N ATOM 1449 CA GLU A 93 2.561 -3.523 11.630 1.00 65.22 C ATOM 1450 C GLU A 93 1.202 -3.574 10.939 1.00 52.52 C ATOM 1451 O GLU A 93 0.912 -4.498 10.180 1.00 73.44 O ATOM 1452 CB GLU A 93 2.378 -3.620 13.146 1.00 44.51 C ATOM 1453 CG GLU A 93 2.104 -5.031 13.638 1.00 54.31 C ATOM 1454 CD GLU A 93 1.281 -5.055 14.911 1.00 24.23 C ATOM 1455 OE1 GLU A 93 1.801 -4.620 15.960 1.00 12.32 O ATOM 1456 OE2 GLU A 93 0.121 -5.511 14.859 1.00 14.43 O ATOM 0 H GLU A 93 3.634 -1.780 12.082 1.00 43.23 H new ATOM 0 HA GLU A 93 3.155 -4.370 11.288 1.00 65.22 H new ATOM 0 HB2 GLU A 93 3.275 -3.241 13.636 1.00 44.51 H new ATOM 0 HB3 GLU A 93 1.553 -2.973 13.446 1.00 44.51 H new ATOM 0 HG2 GLU A 93 1.580 -5.588 12.861 1.00 54.31 H new ATOM 0 HG3 GLU A 93 3.051 -5.541 13.812 1.00 54.31 H new ATOM 1463 N LYS A 94 0.371 -2.571 11.207 1.00 62.42 N ATOM 1464 CA LYS A 94 -0.958 -2.499 10.611 1.00 33.04 C ATOM 1465 C LYS A 94 -0.868 -2.289 9.104 1.00 73.41 C ATOM 1466 O LYS A 94 -1.686 -2.809 8.345 1.00 73.11 O ATOM 1467 CB LYS A 94 -1.763 -1.363 11.248 1.00 2.54 C ATOM 1468 CG LYS A 94 -2.395 -1.736 12.577 1.00 75.11 C ATOM 1469 CD LYS A 94 -3.407 -2.859 12.417 1.00 21.14 C ATOM 1470 CE LYS A 94 -4.238 -3.044 13.677 1.00 70.40 C ATOM 1471 NZ LYS A 94 -5.210 -4.165 13.541 1.00 51.11 N ATOM 0 H LYS A 94 0.595 -1.797 11.833 1.00 62.42 H new ATOM 0 HA LYS A 94 -1.465 -3.446 10.798 1.00 33.04 H new ATOM 0 HB2 LYS A 94 -1.109 -0.504 11.395 1.00 2.54 H new ATOM 0 HB3 LYS A 94 -2.547 -1.053 10.557 1.00 2.54 H new ATOM 0 HG2 LYS A 94 -1.618 -2.042 13.277 1.00 75.11 H new ATOM 0 HG3 LYS A 94 -2.885 -0.862 13.006 1.00 75.11 H new ATOM 0 HD2 LYS A 94 -4.064 -2.641 11.575 1.00 21.14 H new ATOM 0 HD3 LYS A 94 -2.887 -3.788 12.183 1.00 21.14 H new ATOM 0 HE2 LYS A 94 -3.578 -3.236 14.523 1.00 70.40 H new ATOM 0 HE3 LYS A 94 -4.776 -2.122 13.896 1.00 70.40 H new ATOM 0 HZ1 LYS A 94 -5.757 -4.259 14.420 1.00 51.11 H new ATOM 0 HZ2 LYS A 94 -5.857 -3.970 12.750 1.00 51.11 H new ATOM 0 HZ3 LYS A 94 -4.696 -5.050 13.357 1.00 51.11 H new ATOM 1485 N VAL A 95 0.132 -1.526 8.676 1.00 63.24 N ATOM 1486 CA VAL A 95 0.331 -1.250 7.257 1.00 33.42 C ATOM 1487 C VAL A 95 0.542 -2.539 6.471 1.00 21.42 C ATOM 1488 O VAL A 95 -0.259 -2.888 5.602 1.00 4.10 O ATOM 1489 CB VAL A 95 1.537 -0.320 7.029 1.00 30.43 C ATOM 1490 CG1 VAL A 95 1.743 -0.065 5.544 1.00 34.34 C ATOM 1491 CG2 VAL A 95 1.349 0.989 7.782 1.00 30.05 C ATOM 0 H VAL A 95 0.818 -1.088 9.291 1.00 63.24 H new ATOM 0 HA VAL A 95 -0.572 -0.754 6.902 1.00 33.42 H new ATOM 0 HB VAL A 95 2.430 -0.811 7.415 1.00 30.43 H new ATOM 0 HG11 VAL A 95 2.600 0.594 5.403 1.00 34.34 H new ATOM 0 HG12 VAL A 95 1.926 -1.011 5.034 1.00 34.34 H new ATOM 0 HG13 VAL A 95 0.852 0.405 5.128 1.00 34.34 H new ATOM 0 HG21 VAL A 95 2.210 1.635 7.610 1.00 30.05 H new ATOM 0 HG22 VAL A 95 0.446 1.486 7.427 1.00 30.05 H new ATOM 0 HG23 VAL A 95 1.256 0.785 8.849 1.00 30.05 H new ATOM 1501 N LEU A 96 1.623 -3.245 6.782 1.00 1.02 N ATOM 1502 CA LEU A 96 1.941 -4.498 6.106 1.00 54.11 C ATOM 1503 C LEU A 96 0.831 -5.524 6.311 1.00 12.21 C ATOM 1504 O LEU A 96 0.449 -6.234 5.381 1.00 45.40 O ATOM 1505 CB LEU A 96 3.269 -5.056 6.620 1.00 32.12 C ATOM 1506 CG LEU A 96 3.343 -5.336 8.121 1.00 2.21 C ATOM 1507 CD1 LEU A 96 3.124 -6.814 8.401 1.00 64.11 C ATOM 1508 CD2 LEU A 96 4.681 -4.876 8.683 1.00 14.14 C ATOM 0 H LEU A 96 2.295 -2.971 7.499 1.00 1.02 H new ATOM 0 HA LEU A 96 2.029 -4.294 5.039 1.00 54.11 H new ATOM 0 HB2 LEU A 96 3.481 -5.983 6.087 1.00 32.12 H new ATOM 0 HB3 LEU A 96 4.060 -4.352 6.363 1.00 32.12 H new ATOM 0 HG LEU A 96 2.551 -4.774 8.616 1.00 2.21 H new ATOM 0 HD11 LEU A 96 3.180 -6.993 9.475 1.00 64.11 H new ATOM 0 HD12 LEU A 96 2.142 -7.112 8.034 1.00 64.11 H new ATOM 0 HD13 LEU A 96 3.893 -7.398 7.895 1.00 64.11 H new ATOM 0 HD21 LEU A 96 4.717 -5.083 9.753 1.00 14.14 H new ATOM 0 HD22 LEU A 96 5.489 -5.410 8.183 1.00 14.14 H new ATOM 0 HD23 LEU A 96 4.797 -3.805 8.516 1.00 14.14 H new ATOM 1520 N GLN A 97 0.315 -5.595 7.535 1.00 45.45 N ATOM 1521 CA GLN A 97 -0.751 -6.533 7.860 1.00 33.11 C ATOM 1522 C GLN A 97 -1.940 -6.353 6.922 1.00 14.21 C ATOM 1523 O GLN A 97 -2.481 -7.326 6.395 1.00 35.35 O ATOM 1524 CB GLN A 97 -1.199 -6.345 9.311 1.00 44.31 C ATOM 1525 CG GLN A 97 -0.348 -7.107 10.314 1.00 42.41 C ATOM 1526 CD GLN A 97 -0.753 -8.562 10.437 1.00 12.33 C ATOM 1527 OE1 GLN A 97 -1.559 -8.924 11.295 1.00 51.41 O ATOM 1528 NE2 GLN A 97 -0.195 -9.407 9.578 1.00 72.32 N ATOM 0 H GLN A 97 0.619 -5.014 8.316 1.00 45.45 H new ATOM 0 HA GLN A 97 -0.362 -7.543 7.734 1.00 33.11 H new ATOM 0 HB2 GLN A 97 -1.172 -5.283 9.556 1.00 44.31 H new ATOM 0 HB3 GLN A 97 -2.236 -6.668 9.407 1.00 44.31 H new ATOM 0 HG2 GLN A 97 0.699 -7.049 10.015 1.00 42.41 H new ATOM 0 HG3 GLN A 97 -0.427 -6.628 11.290 1.00 42.41 H new ATOM 0 HE21 GLN A 97 0.468 -9.064 8.883 1.00 72.32 H new ATOM 0 HE22 GLN A 97 -0.430 -10.399 9.613 1.00 72.32 H new ATOM 1537 N LEU A 98 -2.342 -5.103 6.717 1.00 70.23 N ATOM 1538 CA LEU A 98 -3.468 -4.795 5.841 1.00 64.10 C ATOM 1539 C LEU A 98 -3.141 -5.144 4.392 1.00 13.03 C ATOM 1540 O LEU A 98 -3.904 -5.842 3.725 1.00 72.43 O ATOM 1541 CB LEU A 98 -3.834 -3.315 5.951 1.00 13.32 C ATOM 1542 CG LEU A 98 -5.325 -2.984 5.871 1.00 71.52 C ATOM 1543 CD1 LEU A 98 -5.539 -1.479 5.870 1.00 15.11 C ATOM 1544 CD2 LEU A 98 -5.943 -3.614 4.630 1.00 35.13 C ATOM 0 H LEU A 98 -1.905 -4.287 7.145 1.00 70.23 H new ATOM 0 HA LEU A 98 -4.319 -5.398 6.157 1.00 64.10 H new ATOM 0 HB2 LEU A 98 -3.448 -2.935 6.897 1.00 13.32 H new ATOM 0 HB3 LEU A 98 -3.319 -2.774 5.157 1.00 13.32 H new ATOM 0 HG LEU A 98 -5.818 -3.399 6.750 1.00 71.52 H new ATOM 0 HD11 LEU A 98 -6.606 -1.263 5.813 1.00 15.11 H new ATOM 0 HD12 LEU A 98 -5.131 -1.053 6.787 1.00 15.11 H new ATOM 0 HD13 LEU A 98 -5.033 -1.040 5.010 1.00 15.11 H new ATOM 0 HD21 LEU A 98 -7.004 -3.369 4.588 1.00 35.13 H new ATOM 0 HD22 LEU A 98 -5.446 -3.228 3.740 1.00 35.13 H new ATOM 0 HD23 LEU A 98 -5.822 -4.696 4.673 1.00 35.13 H new ATOM 1556 N ALA A 99 -2.002 -4.654 3.913 1.00 32.24 N ATOM 1557 CA ALA A 99 -1.573 -4.918 2.545 1.00 13.33 C ATOM 1558 C ALA A 99 -1.579 -6.413 2.246 1.00 0.21 C ATOM 1559 O ALA A 99 -2.203 -6.860 1.284 1.00 14.12 O ATOM 1560 CB ALA A 99 -0.189 -4.334 2.305 1.00 34.41 C ATOM 0 H ALA A 99 -1.360 -4.072 4.452 1.00 32.24 H new ATOM 0 HA ALA A 99 -2.280 -4.437 1.869 1.00 13.33 H new ATOM 0 HB1 ALA A 99 0.119 -4.538 1.280 1.00 34.41 H new ATOM 0 HB2 ALA A 99 -0.215 -3.257 2.468 1.00 34.41 H new ATOM 0 HB3 ALA A 99 0.522 -4.788 2.995 1.00 34.41 H new ATOM 1566 N ILE A 100 -0.880 -7.179 3.075 1.00 34.45 N ATOM 1567 CA ILE A 100 -0.805 -8.625 2.899 1.00 21.20 C ATOM 1568 C ILE A 100 -2.191 -9.258 2.954 1.00 52.11 C ATOM 1569 O ILE A 100 -2.553 -10.061 2.095 1.00 64.31 O ATOM 1570 CB ILE A 100 0.087 -9.278 3.972 1.00 1.21 C ATOM 1571 CG1 ILE A 100 1.499 -8.689 3.919 1.00 60.45 C ATOM 1572 CG2 ILE A 100 0.128 -10.787 3.780 1.00 4.41 C ATOM 1573 CD1 ILE A 100 2.295 -8.915 5.184 1.00 2.52 C ATOM 0 H ILE A 100 -0.357 -6.824 3.875 1.00 34.45 H new ATOM 0 HA ILE A 100 -0.366 -8.800 1.917 1.00 21.20 H new ATOM 0 HB ILE A 100 -0.337 -9.068 4.954 1.00 1.21 H new ATOM 0 HG12 ILE A 100 2.036 -9.128 3.078 1.00 60.45 H new ATOM 0 HG13 ILE A 100 1.430 -7.618 3.729 1.00 60.45 H new ATOM 0 HG21 ILE A 100 0.762 -11.234 4.546 1.00 4.41 H new ATOM 0 HG22 ILE A 100 -0.881 -11.192 3.862 1.00 4.41 H new ATOM 0 HG23 ILE A 100 0.532 -11.018 2.794 1.00 4.41 H new ATOM 0 HD11 ILE A 100 3.285 -8.471 5.075 1.00 2.52 H new ATOM 0 HD12 ILE A 100 1.780 -8.452 6.026 1.00 2.52 H new ATOM 0 HD13 ILE A 100 2.395 -9.985 5.365 1.00 2.52 H new ATOM 1585 N ASN A 101 -2.966 -8.888 3.970 1.00 65.43 N ATOM 1586 CA ASN A 101 -4.314 -9.418 4.136 1.00 63.21 C ATOM 1587 C ASN A 101 -5.124 -9.257 2.853 1.00 31.20 C ATOM 1588 O ASN A 101 -5.852 -10.163 2.448 1.00 44.21 O ATOM 1589 CB ASN A 101 -5.023 -8.712 5.293 1.00 21.10 C ATOM 1590 CG ASN A 101 -4.799 -9.411 6.620 1.00 13.35 C ATOM 1591 OD1 ASN A 101 -3.901 -10.242 6.753 1.00 22.45 O ATOM 1592 ND2 ASN A 101 -5.617 -9.074 7.611 1.00 10.30 N ATOM 0 H ASN A 101 -2.683 -8.223 4.690 1.00 65.43 H new ATOM 0 HA ASN A 101 -4.234 -10.481 4.363 1.00 63.21 H new ATOM 0 HB2 ASN A 101 -4.666 -7.684 5.362 1.00 21.10 H new ATOM 0 HB3 ASN A 101 -6.092 -8.665 5.086 1.00 21.10 H new ATOM 0 HD21 ASN A 101 -5.514 -9.509 8.528 1.00 10.30 H new ATOM 0 HD22 ASN A 101 -6.348 -8.380 7.455 1.00 10.30 H new ATOM 1599 N ALA A 102 -4.991 -8.097 2.219 1.00 53.25 N ATOM 1600 CA ALA A 102 -5.709 -7.816 0.980 1.00 20.44 C ATOM 1601 C ALA A 102 -5.166 -8.657 -0.170 1.00 50.43 C ATOM 1602 O ALA A 102 -5.928 -9.189 -0.977 1.00 32.22 O ATOM 1603 CB ALA A 102 -5.621 -6.336 0.643 1.00 15.31 C ATOM 0 H ALA A 102 -4.393 -7.336 2.542 1.00 53.25 H new ATOM 0 HA ALA A 102 -6.756 -8.081 1.127 1.00 20.44 H new ATOM 0 HB1 ALA A 102 -6.161 -6.141 -0.284 1.00 15.31 H new ATOM 0 HB2 ALA A 102 -6.063 -5.752 1.450 1.00 15.31 H new ATOM 0 HB3 ALA A 102 -4.576 -6.052 0.520 1.00 15.31 H new ATOM 1609 N PHE A 103 -3.843 -8.770 -0.241 1.00 54.24 N ATOM 1610 CA PHE A 103 -3.198 -9.543 -1.295 1.00 74.34 C ATOM 1611 C PHE A 103 -3.726 -10.975 -1.320 1.00 54.33 C ATOM 1612 O PHE A 103 -4.147 -11.474 -2.363 1.00 23.31 O ATOM 1613 CB PHE A 103 -1.681 -9.550 -1.096 1.00 74.02 C ATOM 1614 CG PHE A 103 -0.947 -10.372 -2.117 1.00 5.23 C ATOM 1615 CD1 PHE A 103 -0.619 -9.835 -3.351 1.00 65.44 C ATOM 1616 CD2 PHE A 103 -0.584 -11.680 -1.841 1.00 62.10 C ATOM 1617 CE1 PHE A 103 0.057 -10.589 -4.292 1.00 62.43 C ATOM 1618 CE2 PHE A 103 0.092 -12.439 -2.778 1.00 3.00 C ATOM 1619 CZ PHE A 103 0.414 -11.893 -4.005 1.00 34.42 C ATOM 0 H PHE A 103 -3.198 -8.336 0.419 1.00 54.24 H new ATOM 0 HA PHE A 103 -3.430 -9.072 -2.250 1.00 74.34 H new ATOM 0 HB2 PHE A 103 -1.313 -8.525 -1.134 1.00 74.02 H new ATOM 0 HB3 PHE A 103 -1.455 -9.934 -0.101 1.00 74.02 H new ATOM 0 HD1 PHE A 103 -0.894 -8.816 -3.580 1.00 65.44 H new ATOM 0 HD2 PHE A 103 -0.832 -12.112 -0.883 1.00 62.10 H new ATOM 0 HE1 PHE A 103 0.306 -10.159 -5.251 1.00 62.43 H new ATOM 0 HE2 PHE A 103 0.368 -13.458 -2.551 1.00 3.00 H new ATOM 0 HZ PHE A 103 0.943 -12.483 -4.738 1.00 34.42 H new ATOM 1629 N ASN A 104 -3.699 -11.629 -0.164 1.00 12.32 N ATOM 1630 CA ASN A 104 -4.173 -13.004 -0.052 1.00 1.23 C ATOM 1631 C ASN A 104 -5.684 -13.075 -0.253 1.00 64.51 C ATOM 1632 O ASN A 104 -6.180 -13.906 -1.014 1.00 20.33 O ATOM 1633 CB ASN A 104 -3.801 -13.584 1.314 1.00 71.50 C ATOM 1634 CG ASN A 104 -2.381 -14.115 1.348 1.00 21.33 C ATOM 1635 OD1 ASN A 104 -1.757 -14.321 0.307 1.00 1.44 O ATOM 1636 ND2 ASN A 104 -1.863 -14.339 2.551 1.00 64.13 N ATOM 0 H ASN A 104 -3.354 -11.229 0.709 1.00 12.32 H new ATOM 0 HA ASN A 104 -3.692 -13.594 -0.832 1.00 1.23 H new ATOM 0 HB2 ASN A 104 -3.917 -12.814 2.077 1.00 71.50 H new ATOM 0 HB3 ASN A 104 -4.493 -14.388 1.565 1.00 71.50 H new ATOM 0 HD21 ASN A 104 -0.912 -14.696 2.638 1.00 64.13 H new ATOM 0 HD22 ASN A 104 -2.417 -14.154 3.387 1.00 64.13 H new ATOM 1643 N ASN A 105 -6.409 -12.200 0.434 1.00 51.11 N ATOM 1644 CA ASN A 105 -7.863 -12.164 0.331 1.00 12.14 C ATOM 1645 C ASN A 105 -8.304 -12.073 -1.127 1.00 42.42 C ATOM 1646 O ASN A 105 -9.182 -12.814 -1.570 1.00 4.32 O ATOM 1647 CB ASN A 105 -8.423 -10.977 1.119 1.00 64.14 C ATOM 1648 CG ASN A 105 -9.930 -11.039 1.266 1.00 73.13 C ATOM 1649 OD1 ASN A 105 -10.669 -10.817 0.306 1.00 31.25 O ATOM 1650 ND2 ASN A 105 -10.394 -11.342 2.473 1.00 53.11 N ATOM 0 H ASN A 105 -6.014 -11.506 1.068 1.00 51.11 H new ATOM 0 HA ASN A 105 -8.254 -13.089 0.754 1.00 12.14 H new ATOM 0 HB2 ASN A 105 -7.965 -10.953 2.108 1.00 64.14 H new ATOM 0 HB3 ASN A 105 -8.148 -10.049 0.617 1.00 64.14 H new ATOM 0 HD21 ASN A 105 -11.400 -11.398 2.633 1.00 53.11 H new ATOM 0 HD22 ASN A 105 -9.745 -11.518 3.240 1.00 53.11 H new ATOM 1657 N LYS A 106 -7.687 -11.160 -1.870 1.00 41.11 N ATOM 1658 CA LYS A 106 -8.012 -10.972 -3.278 1.00 73.55 C ATOM 1659 C LYS A 106 -9.494 -10.657 -3.458 1.00 21.13 C ATOM 1660 O LYS A 106 -10.110 -11.062 -4.443 1.00 42.25 O ATOM 1661 CB LYS A 106 -7.646 -12.225 -4.079 1.00 50.50 C ATOM 1662 CG LYS A 106 -6.152 -12.398 -4.285 1.00 61.34 C ATOM 1663 CD LYS A 106 -5.847 -13.067 -5.616 1.00 40.41 C ATOM 1664 CE LYS A 106 -5.427 -12.051 -6.667 1.00 34.11 C ATOM 1665 NZ LYS A 106 -4.674 -12.687 -7.784 1.00 4.21 N ATOM 0 H LYS A 106 -6.958 -10.538 -1.519 1.00 41.11 H new ATOM 0 HA LYS A 106 -7.431 -10.127 -3.649 1.00 73.55 H new ATOM 0 HB2 LYS A 106 -8.038 -13.103 -3.565 1.00 50.50 H new ATOM 0 HB3 LYS A 106 -8.136 -12.181 -5.052 1.00 50.50 H new ATOM 0 HG2 LYS A 106 -5.663 -11.425 -4.245 1.00 61.34 H new ATOM 0 HG3 LYS A 106 -5.738 -12.996 -3.473 1.00 61.34 H new ATOM 0 HD2 LYS A 106 -5.054 -13.802 -5.482 1.00 40.41 H new ATOM 0 HD3 LYS A 106 -6.727 -13.608 -5.963 1.00 40.41 H new ATOM 0 HE2 LYS A 106 -6.311 -11.552 -7.063 1.00 34.11 H new ATOM 0 HE3 LYS A 106 -4.808 -11.283 -6.203 1.00 34.11 H new ATOM 0 HZ1 LYS A 106 -4.406 -11.962 -8.479 1.00 4.21 H new ATOM 0 HZ2 LYS A 106 -3.817 -13.142 -7.410 1.00 4.21 H new ATOM 0 HZ3 LYS A 106 -5.273 -13.402 -8.244 1.00 4.21 H new ATOM 1679 N SER A 107 -10.060 -9.931 -2.499 1.00 0.42 N ATOM 1680 CA SER A 107 -11.470 -9.563 -2.550 1.00 51.33 C ATOM 1681 C SER A 107 -11.856 -8.718 -1.340 1.00 24.22 C ATOM 1682 O SER A 107 -12.557 -9.183 -0.442 1.00 51.01 O ATOM 1683 CB SER A 107 -12.344 -10.816 -2.611 1.00 21.51 C ATOM 1684 OG SER A 107 -11.814 -11.847 -1.795 1.00 11.23 O ATOM 0 H SER A 107 -9.564 -9.586 -1.677 1.00 0.42 H new ATOM 0 HA SER A 107 -11.633 -8.971 -3.451 1.00 51.33 H new ATOM 0 HB2 SER A 107 -13.356 -10.574 -2.285 1.00 21.51 H new ATOM 0 HB3 SER A 107 -12.415 -11.164 -3.642 1.00 21.51 H new ATOM 0 HG SER A 107 -11.398 -11.453 -1.000 1.00 11.23 H new ATOM 1690 N SER A 108 -11.390 -7.473 -1.323 1.00 62.31 N ATOM 1691 CA SER A 108 -11.682 -6.563 -0.221 1.00 74.22 C ATOM 1692 C SER A 108 -13.164 -6.201 -0.193 1.00 73.31 C ATOM 1693 O SER A 108 -13.745 -5.833 -1.214 1.00 42.52 O ATOM 1694 CB SER A 108 -10.838 -5.293 -0.344 1.00 5.21 C ATOM 1695 OG SER A 108 -9.483 -5.547 -0.017 1.00 21.25 O ATOM 0 H SER A 108 -10.809 -7.072 -2.059 1.00 62.31 H new ATOM 0 HA SER A 108 -11.432 -7.069 0.711 1.00 74.22 H new ATOM 0 HB2 SER A 108 -10.903 -4.906 -1.361 1.00 5.21 H new ATOM 0 HB3 SER A 108 -11.236 -4.523 0.316 1.00 5.21 H new ATOM 0 HG SER A 108 -8.965 -4.720 -0.105 1.00 21.25 H new ATOM 1701 N VAL A 109 -13.771 -6.311 0.984 1.00 15.22 N ATOM 1702 CA VAL A 109 -15.185 -5.994 1.148 1.00 60.33 C ATOM 1703 C VAL A 109 -16.055 -6.920 0.304 1.00 12.33 C ATOM 1704 O VAL A 109 -15.861 -8.135 0.296 1.00 54.23 O ATOM 1705 CB VAL A 109 -15.482 -4.534 0.760 1.00 13.32 C ATOM 1706 CG1 VAL A 109 -16.923 -4.176 1.091 1.00 4.14 C ATOM 1707 CG2 VAL A 109 -14.516 -3.590 1.460 1.00 25.34 C ATOM 0 H VAL A 109 -13.306 -6.617 1.838 1.00 15.22 H new ATOM 0 HA VAL A 109 -15.422 -6.136 2.202 1.00 60.33 H new ATOM 0 HB VAL A 109 -15.344 -4.427 -0.316 1.00 13.32 H new ATOM 0 HG11 VAL A 109 -17.114 -3.140 0.810 1.00 4.14 H new ATOM 0 HG12 VAL A 109 -17.597 -4.832 0.540 1.00 4.14 H new ATOM 0 HG13 VAL A 109 -17.092 -4.299 2.161 1.00 4.14 H new ATOM 0 HG21 VAL A 109 -14.740 -2.562 1.174 1.00 25.34 H new ATOM 0 HG22 VAL A 109 -14.620 -3.698 2.540 1.00 25.34 H new ATOM 0 HG23 VAL A 109 -13.494 -3.833 1.168 1.00 25.34 H new TER 1717 VAL A 109