USER MOD reduce.3.24.130724 H: found=0, std=0, add=1053, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1051 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 HIS : no HD1:sc= 0.137 K(o=1.2,f=-3.2!) USER MOD Set 1.2: A 110 THR OG1 : rot 72:sc= 1.04 USER MOD Set 2.1: A 73 HIS : no HD1:sc= -2.21! C(o=-2.4!,f=-1.4!) USER MOD Set 2.2: A 76 SER OG : rot -100:sc= -0.226 USER MOD Set 3.1: A 28 SER OG : rot -70:sc= 0.107 USER MOD Set 3.2: A 30 THR OG1 : rot 41:sc= 0.16 USER MOD Set 3.3: A 32 THR OG1 : rot 180:sc= -0.115 USER MOD Set 4.1: A 14 THR OG1 : rot -118:sc= 0.184 USER MOD Set 4.2: A 16 SER OG : rot 180:sc= 0.168 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.264 (180deg=-0.0167) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 ASN : amide:sc= 0.276 X(o=0.28,f=0) USER MOD Single : A 7 THR OG1 : rot 105:sc= 1.3 USER MOD Single : A 11 GLN : amide:sc= 0.991 K(o=0.99,f=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -112:sc= 0.579 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= -0.337 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 46 SER OG : rot 180:sc= -0.709 USER MOD Single : A 52 LYS NZ :NH3+ -164:sc= -0.0469 (180deg=-0.284) USER MOD Single : A 56 ASN : amide:sc= -0.432 K(o=-0.43,f=-4!) USER MOD Single : A 65 GLN : amide:sc= 0.218 X(o=0.22,f=-0.0076) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 173:sc= 1.3 USER MOD Single : A 84 THR OG1 : rot 96:sc= 1.23 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.0117 K(o=-0.012,f=-1.2) USER MOD Single : A 106 SER OG : rot -34:sc= 1.25 USER MOD Single : A 108 ASN : amide:sc= 0.194 K(o=0.19,f=-0.65) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 1.23 K(o=1.2,f=-0.029) USER MOD Single : A 118 ASN : amide:sc= -0.0633 K(o=-0.063,f=-1.8!) USER MOD Single : A 120 GLN : amide:sc= -1.15 K(o=-1.1,f=-6.5!) USER MOD Single : A 122 MET CE :methyl -166:sc= -0.115 (180deg=-0.642) USER MOD Single : A 123 GLN : amide:sc= 0.498 K(o=0.5,f=-3.5!) USER MOD Single : A 124 THR OG1 : rot 42:sc= 0.17 USER MOD Single : A 129 GLN : amide:sc= 0.809 K(o=0.81,f=-0.35) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -41.401 -20.328 -63.039 1.00 11.00 N ATOM 2 CA MET A 1 -40.080 -20.448 -62.420 1.00 43.05 C ATOM 3 C MET A 1 -39.391 -21.611 -63.049 1.00 62.13 C ATOM 4 O MET A 1 -40.030 -22.352 -63.791 1.00 64.12 O ATOM 5 CB MET A 1 -40.203 -20.691 -60.909 1.00 21.42 C ATOM 6 CG MET A 1 -40.817 -19.546 -60.127 1.00 0.13 C ATOM 7 SD MET A 1 -39.842 -18.037 -60.238 1.00 23.15 S ATOM 8 CE MET A 1 -40.816 -16.941 -59.209 1.00 53.11 C ATOM 0 H1 MET A 1 -41.499 -19.385 -63.467 1.00 11.00 H new ATOM 0 H2 MET A 1 -41.507 -21.055 -63.775 1.00 11.00 H new ATOM 0 H3 MET A 1 -42.137 -20.458 -62.315 1.00 11.00 H new ATOM 0 HA MET A 1 -39.519 -19.525 -62.570 1.00 43.05 H new ATOM 0 HB2 MET A 1 -40.804 -21.586 -60.747 1.00 21.42 H new ATOM 0 HB3 MET A 1 -39.211 -20.896 -60.507 1.00 21.42 H new ATOM 0 HG2 MET A 1 -41.823 -19.353 -60.500 1.00 0.13 H new ATOM 0 HG3 MET A 1 -40.915 -19.836 -59.081 1.00 0.13 H new ATOM 0 HE1 MET A 1 -40.344 -15.959 -59.174 1.00 53.11 H new ATOM 0 HE2 MET A 1 -41.819 -16.847 -59.625 1.00 53.11 H new ATOM 0 HE3 MET A 1 -40.879 -17.349 -58.200 1.00 53.11 H new ATOM 20 N SER A 2 -38.102 -21.788 -62.779 1.00 72.32 N ATOM 21 CA SER A 2 -37.393 -22.930 -63.304 1.00 55.52 C ATOM 22 C SER A 2 -37.914 -24.187 -62.618 1.00 5.24 C ATOM 23 O SER A 2 -37.917 -25.280 -63.196 1.00 71.12 O ATOM 24 CB SER A 2 -35.877 -22.756 -63.151 1.00 22.00 C ATOM 25 OG SER A 2 -35.510 -22.458 -61.804 1.00 32.50 O ATOM 0 H SER A 2 -37.540 -21.159 -62.206 1.00 72.32 H new ATOM 0 HA SER A 2 -37.575 -23.024 -64.375 1.00 55.52 H new ATOM 0 HB2 SER A 2 -35.373 -23.667 -63.472 1.00 22.00 H new ATOM 0 HB3 SER A 2 -35.535 -21.955 -63.806 1.00 22.00 H new ATOM 0 HG SER A 2 -34.537 -22.356 -61.745 1.00 32.50 H new ATOM 31 N ASP A 3 -38.339 -23.993 -61.360 1.00 72.20 N ATOM 32 CA ASP A 3 -39.076 -24.958 -60.534 1.00 42.23 C ATOM 33 C ASP A 3 -38.203 -26.106 -60.051 1.00 13.24 C ATOM 34 O ASP A 3 -38.185 -26.423 -58.861 1.00 23.51 O ATOM 35 CB ASP A 3 -40.328 -25.472 -61.261 1.00 2.21 C ATOM 36 CG ASP A 3 -41.363 -26.020 -60.315 1.00 12.10 C ATOM 37 OD1 ASP A 3 -42.152 -25.230 -59.766 1.00 50.33 O ATOM 38 OD2 ASP A 3 -41.425 -27.230 -60.093 1.00 43.31 O ATOM 0 H ASP A 3 -38.169 -23.116 -60.868 1.00 72.20 H new ATOM 0 HA ASP A 3 -39.400 -24.421 -59.642 1.00 42.23 H new ATOM 0 HB2 ASP A 3 -40.766 -24.660 -61.842 1.00 2.21 H new ATOM 0 HB3 ASP A 3 -40.039 -26.250 -61.968 1.00 2.21 H new ATOM 43 N ASN A 4 -37.500 -26.731 -60.953 1.00 2.41 N ATOM 44 CA ASN A 4 -36.588 -27.790 -60.602 1.00 42.03 C ATOM 45 C ASN A 4 -35.270 -27.202 -60.218 1.00 44.34 C ATOM 46 O ASN A 4 -34.519 -26.707 -61.067 1.00 52.14 O ATOM 47 CB ASN A 4 -36.390 -28.803 -61.732 1.00 2.40 C ATOM 48 CG ASN A 4 -37.623 -29.615 -62.034 1.00 33.50 C ATOM 49 OD1 ASN A 4 -38.438 -29.242 -62.876 1.00 53.41 O ATOM 50 ND2 ASN A 4 -37.767 -30.732 -61.373 1.00 15.55 N ATOM 0 H ASN A 4 -37.541 -26.524 -61.951 1.00 2.41 H new ATOM 0 HA ASN A 4 -37.027 -28.330 -59.763 1.00 42.03 H new ATOM 0 HB2 ASN A 4 -36.083 -28.274 -62.634 1.00 2.40 H new ATOM 0 HB3 ASN A 4 -35.576 -29.478 -61.466 1.00 2.40 H new ATOM 0 HD21 ASN A 4 -38.576 -31.327 -61.548 1.00 15.55 H new ATOM 0 HD22 ASN A 4 -37.070 -31.009 -60.682 1.00 15.55 H new ATOM 57 N ASN A 5 -35.018 -27.198 -58.955 1.00 31.51 N ATOM 58 CA ASN A 5 -33.795 -26.702 -58.393 1.00 63.10 C ATOM 59 C ASN A 5 -33.690 -27.268 -57.016 1.00 12.22 C ATOM 60 O ASN A 5 -34.717 -27.572 -56.391 1.00 23.22 O ATOM 61 CB ASN A 5 -33.759 -25.147 -58.328 1.00 34.53 C ATOM 62 CG ASN A 5 -34.788 -24.530 -57.381 1.00 10.14 C ATOM 63 OD1 ASN A 5 -35.923 -24.240 -57.773 1.00 15.34 O ATOM 64 ND2 ASN A 5 -34.401 -24.300 -56.146 1.00 73.23 N ATOM 0 H ASN A 5 -35.674 -27.549 -58.257 1.00 31.51 H new ATOM 0 HA ASN A 5 -32.959 -27.004 -59.024 1.00 63.10 H new ATOM 0 HB2 ASN A 5 -32.763 -24.832 -58.018 1.00 34.53 H new ATOM 0 HB3 ASN A 5 -33.921 -24.750 -59.330 1.00 34.53 H new ATOM 0 HD21 ASN A 5 -35.045 -23.871 -55.481 1.00 73.23 H new ATOM 0 HD22 ASN A 5 -33.457 -24.551 -55.852 1.00 73.23 H new ATOM 71 N GLY A 6 -32.495 -27.443 -56.549 1.00 53.42 N ATOM 72 CA GLY A 6 -32.318 -27.951 -55.225 1.00 33.35 C ATOM 73 C GLY A 6 -32.273 -26.830 -54.239 1.00 72.21 C ATOM 74 O GLY A 6 -32.149 -25.658 -54.632 1.00 24.32 O ATOM 0 H GLY A 6 -31.634 -27.244 -57.058 1.00 53.42 H new ATOM 0 HA2 GLY A 6 -33.134 -28.630 -54.977 1.00 33.35 H new ATOM 0 HA3 GLY A 6 -31.395 -28.529 -55.171 1.00 33.35 H new ATOM 78 N THR A 7 -32.392 -27.153 -52.993 1.00 5.42 N ATOM 79 CA THR A 7 -32.323 -26.182 -51.958 1.00 63.12 C ATOM 80 C THR A 7 -30.864 -25.936 -51.600 1.00 40.31 C ATOM 81 O THR A 7 -30.083 -26.899 -51.498 1.00 24.21 O ATOM 82 CB THR A 7 -33.087 -26.693 -50.722 1.00 5.10 C ATOM 83 OG1 THR A 7 -32.688 -28.053 -50.447 1.00 70.13 O ATOM 84 CG2 THR A 7 -34.591 -26.643 -50.956 1.00 43.32 C ATOM 0 H THR A 7 -32.541 -28.107 -52.665 1.00 5.42 H new ATOM 0 HA THR A 7 -32.775 -25.249 -52.296 1.00 63.12 H new ATOM 0 HB THR A 7 -32.848 -26.053 -49.873 1.00 5.10 H new ATOM 0 HG1 THR A 7 -32.095 -28.069 -49.667 1.00 70.13 H new ATOM 0 HG21 THR A 7 -35.109 -27.009 -50.070 1.00 43.32 H new ATOM 0 HG22 THR A 7 -34.894 -25.615 -51.156 1.00 43.32 H new ATOM 0 HG23 THR A 7 -34.847 -27.269 -51.810 1.00 43.32 H new ATOM 92 N PRO A 8 -30.437 -24.671 -51.479 1.00 55.22 N ATOM 93 CA PRO A 8 -29.095 -24.370 -51.025 1.00 52.30 C ATOM 94 C PRO A 8 -28.980 -24.816 -49.585 1.00 54.30 C ATOM 95 O PRO A 8 -29.817 -24.460 -48.745 1.00 53.41 O ATOM 96 CB PRO A 8 -29.002 -22.842 -51.123 1.00 52.15 C ATOM 97 CG PRO A 8 -30.122 -22.448 -52.018 1.00 20.31 C ATOM 98 CD PRO A 8 -31.202 -23.457 -51.781 1.00 61.04 C ATOM 0 HA PRO A 8 -28.308 -24.861 -51.598 1.00 52.30 H new ATOM 0 HB2 PRO A 8 -29.097 -22.377 -50.142 1.00 52.15 H new ATOM 0 HB3 PRO A 8 -28.041 -22.530 -51.532 1.00 52.15 H new ATOM 0 HG2 PRO A 8 -30.470 -21.441 -51.790 1.00 20.31 H new ATOM 0 HG3 PRO A 8 -29.808 -22.448 -53.062 1.00 20.31 H new ATOM 0 HD2 PRO A 8 -31.852 -23.170 -50.954 1.00 61.04 H new ATOM 0 HD3 PRO A 8 -31.838 -23.585 -52.657 1.00 61.04 H new ATOM 106 N GLU A 9 -27.991 -25.591 -49.300 1.00 54.01 N ATOM 107 CA GLU A 9 -27.859 -26.158 -48.001 1.00 43.42 C ATOM 108 C GLU A 9 -26.945 -25.365 -47.105 1.00 75.04 C ATOM 109 O GLU A 9 -25.750 -25.185 -47.425 1.00 43.53 O ATOM 110 CB GLU A 9 -27.412 -27.608 -48.093 1.00 51.22 C ATOM 111 CG GLU A 9 -28.468 -28.516 -48.685 1.00 11.12 C ATOM 112 CD GLU A 9 -29.746 -28.476 -47.885 1.00 21.12 C ATOM 113 OE1 GLU A 9 -29.692 -28.735 -46.666 1.00 40.25 O ATOM 114 OE2 GLU A 9 -30.833 -28.217 -48.460 1.00 4.55 O ATOM 0 H GLU A 9 -27.254 -25.849 -49.956 1.00 54.01 H new ATOM 0 HA GLU A 9 -28.846 -26.123 -47.540 1.00 43.42 H new ATOM 0 HB2 GLU A 9 -26.509 -27.666 -48.700 1.00 51.22 H new ATOM 0 HB3 GLU A 9 -27.150 -27.966 -47.097 1.00 51.22 H new ATOM 0 HG2 GLU A 9 -28.672 -28.216 -49.713 1.00 11.12 H new ATOM 0 HG3 GLU A 9 -28.092 -29.538 -48.720 1.00 11.12 H new ATOM 121 N PRO A 10 -27.493 -24.841 -45.989 1.00 23.33 N ATOM 122 CA PRO A 10 -26.704 -24.171 -44.968 1.00 24.13 C ATOM 123 C PRO A 10 -25.787 -25.183 -44.312 1.00 62.25 C ATOM 124 O PRO A 10 -26.187 -26.340 -44.084 1.00 24.42 O ATOM 125 CB PRO A 10 -27.746 -23.675 -43.950 1.00 42.33 C ATOM 126 CG PRO A 10 -29.046 -23.726 -44.670 1.00 10.45 C ATOM 127 CD PRO A 10 -28.929 -24.849 -45.646 1.00 54.22 C ATOM 0 HA PRO A 10 -26.088 -23.362 -45.361 1.00 24.13 H new ATOM 0 HB2 PRO A 10 -27.762 -24.307 -43.062 1.00 42.33 H new ATOM 0 HB3 PRO A 10 -27.520 -22.662 -43.616 1.00 42.33 H new ATOM 0 HG2 PRO A 10 -29.870 -23.895 -43.977 1.00 10.45 H new ATOM 0 HG3 PRO A 10 -29.247 -22.784 -45.180 1.00 10.45 H new ATOM 0 HD2 PRO A 10 -29.234 -25.799 -45.207 1.00 54.22 H new ATOM 0 HD3 PRO A 10 -29.555 -24.688 -46.524 1.00 54.22 H new ATOM 135 N GLN A 11 -24.594 -24.773 -44.033 1.00 50.14 N ATOM 136 CA GLN A 11 -23.588 -25.627 -43.478 1.00 13.04 C ATOM 137 C GLN A 11 -22.659 -24.799 -42.597 1.00 22.21 C ATOM 138 O GLN A 11 -21.765 -24.079 -43.074 1.00 44.25 O ATOM 139 CB GLN A 11 -22.880 -26.412 -44.609 1.00 14.21 C ATOM 140 CG GLN A 11 -22.395 -25.556 -45.773 1.00 13.21 C ATOM 141 CD GLN A 11 -22.184 -26.359 -47.041 1.00 62.13 C ATOM 142 OE1 GLN A 11 -21.103 -26.892 -47.295 1.00 53.32 O ATOM 143 NE2 GLN A 11 -23.207 -26.432 -47.861 1.00 61.42 N ATOM 0 H GLN A 11 -24.281 -23.814 -44.187 1.00 50.14 H new ATOM 0 HA GLN A 11 -24.025 -26.386 -42.829 1.00 13.04 H new ATOM 0 HB2 GLN A 11 -22.027 -26.942 -44.186 1.00 14.21 H new ATOM 0 HB3 GLN A 11 -23.566 -27.167 -44.993 1.00 14.21 H new ATOM 0 HG2 GLN A 11 -23.121 -24.766 -45.965 1.00 13.21 H new ATOM 0 HG3 GLN A 11 -21.460 -25.069 -45.496 1.00 13.21 H new ATOM 0 HE21 GLN A 11 -24.088 -25.979 -47.619 1.00 61.42 H new ATOM 0 HE22 GLN A 11 -23.121 -26.942 -48.740 1.00 61.42 H new ATOM 152 N VAL A 12 -22.933 -24.870 -41.315 1.00 2.10 N ATOM 153 CA VAL A 12 -22.296 -24.058 -40.311 1.00 73.44 C ATOM 154 C VAL A 12 -20.843 -24.428 -40.112 1.00 12.13 C ATOM 155 O VAL A 12 -20.504 -25.558 -39.746 1.00 33.14 O ATOM 156 CB VAL A 12 -23.039 -24.150 -38.948 1.00 12.51 C ATOM 157 CG1 VAL A 12 -22.402 -23.242 -37.896 1.00 22.53 C ATOM 158 CG2 VAL A 12 -24.510 -23.817 -39.116 1.00 74.21 C ATOM 0 H VAL A 12 -23.626 -25.514 -40.933 1.00 2.10 H new ATOM 0 HA VAL A 12 -22.344 -23.033 -40.678 1.00 73.44 H new ATOM 0 HB VAL A 12 -22.951 -25.178 -38.596 1.00 12.51 H new ATOM 0 HG11 VAL A 12 -22.949 -23.334 -36.957 1.00 22.53 H new ATOM 0 HG12 VAL A 12 -21.364 -23.536 -37.742 1.00 22.53 H new ATOM 0 HG13 VAL A 12 -22.439 -22.208 -38.238 1.00 22.53 H new ATOM 0 HG21 VAL A 12 -25.011 -23.887 -38.151 1.00 74.21 H new ATOM 0 HG22 VAL A 12 -24.612 -22.804 -39.505 1.00 74.21 H new ATOM 0 HG23 VAL A 12 -24.965 -24.520 -39.813 1.00 74.21 H new ATOM 168 N GLU A 13 -20.001 -23.487 -40.377 1.00 51.11 N ATOM 169 CA GLU A 13 -18.605 -23.613 -40.118 1.00 23.34 C ATOM 170 C GLU A 13 -18.336 -22.972 -38.764 1.00 14.11 C ATOM 171 O GLU A 13 -18.891 -21.905 -38.452 1.00 32.13 O ATOM 172 CB GLU A 13 -17.804 -22.951 -41.235 1.00 73.12 C ATOM 173 CG GLU A 13 -18.203 -21.515 -41.499 1.00 12.43 C ATOM 174 CD GLU A 13 -17.477 -20.920 -42.652 1.00 40.41 C ATOM 175 OE1 GLU A 13 -17.955 -21.051 -43.789 1.00 22.21 O ATOM 176 OE2 GLU A 13 -16.406 -20.294 -42.447 1.00 13.23 O ATOM 0 H GLU A 13 -20.268 -22.592 -40.787 1.00 51.11 H new ATOM 0 HA GLU A 13 -18.297 -24.658 -40.091 1.00 23.34 H new ATOM 0 HB2 GLU A 13 -16.745 -22.984 -40.979 1.00 73.12 H new ATOM 0 HB3 GLU A 13 -17.929 -23.528 -42.151 1.00 73.12 H new ATOM 0 HG2 GLU A 13 -19.276 -21.469 -41.688 1.00 12.43 H new ATOM 0 HG3 GLU A 13 -18.010 -20.919 -40.607 1.00 12.43 H new ATOM 183 N THR A 14 -17.557 -23.615 -37.953 1.00 73.21 N ATOM 184 CA THR A 14 -17.315 -23.137 -36.627 1.00 12.30 C ATOM 185 C THR A 14 -15.953 -23.588 -36.133 1.00 50.04 C ATOM 186 O THR A 14 -15.405 -24.592 -36.593 1.00 3.30 O ATOM 187 CB THR A 14 -18.444 -23.625 -35.649 1.00 32.21 C ATOM 188 OG1 THR A 14 -18.157 -23.256 -34.288 1.00 73.44 O ATOM 189 CG2 THR A 14 -18.648 -25.134 -35.736 1.00 55.23 C ATOM 0 H THR A 14 -17.073 -24.481 -38.188 1.00 73.21 H new ATOM 0 HA THR A 14 -17.326 -22.047 -36.651 1.00 12.30 H new ATOM 0 HB THR A 14 -19.363 -23.130 -35.961 1.00 32.21 H new ATOM 0 HG1 THR A 14 -18.069 -24.065 -33.741 1.00 73.44 H new ATOM 0 HG21 THR A 14 -19.436 -25.435 -35.046 1.00 55.23 H new ATOM 0 HG22 THR A 14 -18.933 -25.405 -36.753 1.00 55.23 H new ATOM 0 HG23 THR A 14 -17.721 -25.642 -35.472 1.00 55.23 H new ATOM 197 N THR A 15 -15.391 -22.814 -35.264 1.00 24.33 N ATOM 198 CA THR A 15 -14.190 -23.153 -34.608 1.00 42.41 C ATOM 199 C THR A 15 -14.459 -23.138 -33.103 1.00 62.23 C ATOM 200 O THR A 15 -14.259 -22.128 -32.423 1.00 73.11 O ATOM 201 CB THR A 15 -13.059 -22.177 -34.985 1.00 12.40 C ATOM 202 OG1 THR A 15 -12.986 -22.109 -36.421 1.00 53.41 O ATOM 203 CG2 THR A 15 -11.723 -22.658 -34.441 1.00 23.15 C ATOM 0 H THR A 15 -15.771 -21.908 -34.990 1.00 24.33 H new ATOM 0 HA THR A 15 -13.860 -24.145 -34.916 1.00 42.41 H new ATOM 0 HB THR A 15 -13.271 -21.198 -34.556 1.00 12.40 H new ATOM 0 HG1 THR A 15 -12.272 -21.491 -36.683 1.00 53.41 H new ATOM 0 HG21 THR A 15 -10.941 -21.952 -34.721 1.00 23.15 H new ATOM 0 HG22 THR A 15 -11.777 -22.729 -33.355 1.00 23.15 H new ATOM 0 HG23 THR A 15 -11.492 -23.639 -34.857 1.00 23.15 H new ATOM 211 N SER A 16 -15.020 -24.217 -32.619 1.00 32.34 N ATOM 212 CA SER A 16 -15.326 -24.339 -31.225 1.00 34.31 C ATOM 213 C SER A 16 -14.068 -24.774 -30.469 1.00 61.14 C ATOM 214 O SER A 16 -13.665 -25.950 -30.507 1.00 54.23 O ATOM 215 CB SER A 16 -16.480 -25.327 -31.021 1.00 2.35 C ATOM 216 OG SER A 16 -17.619 -24.961 -31.820 1.00 44.50 O ATOM 0 H SER A 16 -15.275 -25.029 -33.181 1.00 32.34 H new ATOM 0 HA SER A 16 -15.649 -23.376 -30.830 1.00 34.31 H new ATOM 0 HB2 SER A 16 -16.154 -26.333 -31.286 1.00 2.35 H new ATOM 0 HB3 SER A 16 -16.762 -25.350 -29.968 1.00 2.35 H new ATOM 0 HG SER A 16 -18.342 -25.607 -31.674 1.00 44.50 H new ATOM 222 N VAL A 17 -13.416 -23.818 -29.867 1.00 63.34 N ATOM 223 CA VAL A 17 -12.212 -24.050 -29.118 1.00 23.31 C ATOM 224 C VAL A 17 -12.268 -23.227 -27.839 1.00 43.54 C ATOM 225 O VAL A 17 -12.719 -22.075 -27.857 1.00 3.42 O ATOM 226 CB VAL A 17 -10.928 -23.721 -29.967 1.00 14.00 C ATOM 227 CG1 VAL A 17 -10.902 -22.267 -30.434 1.00 12.24 C ATOM 228 CG2 VAL A 17 -9.646 -24.073 -29.215 1.00 71.44 C ATOM 0 H VAL A 17 -13.710 -22.842 -29.883 1.00 63.34 H new ATOM 0 HA VAL A 17 -12.143 -25.107 -28.862 1.00 23.31 H new ATOM 0 HB VAL A 17 -10.978 -24.349 -30.857 1.00 14.00 H new ATOM 0 HG11 VAL A 17 -9.998 -22.088 -31.016 1.00 12.24 H new ATOM 0 HG12 VAL A 17 -11.777 -22.068 -31.053 1.00 12.24 H new ATOM 0 HG13 VAL A 17 -10.913 -21.606 -29.567 1.00 12.24 H new ATOM 0 HG21 VAL A 17 -8.783 -23.831 -29.835 1.00 71.44 H new ATOM 0 HG22 VAL A 17 -9.599 -23.501 -28.288 1.00 71.44 H new ATOM 0 HG23 VAL A 17 -9.640 -25.138 -28.985 1.00 71.44 H new ATOM 238 N PHE A 18 -11.883 -23.823 -26.749 1.00 43.31 N ATOM 239 CA PHE A 18 -11.919 -23.171 -25.469 1.00 30.40 C ATOM 240 C PHE A 18 -10.565 -22.551 -25.191 1.00 71.02 C ATOM 241 O PHE A 18 -9.575 -22.879 -25.869 1.00 5.42 O ATOM 242 CB PHE A 18 -12.284 -24.183 -24.375 1.00 15.35 C ATOM 243 CG PHE A 18 -13.581 -24.909 -24.637 1.00 24.34 C ATOM 244 CD1 PHE A 18 -14.787 -24.228 -24.645 1.00 64.24 C ATOM 245 CD2 PHE A 18 -13.587 -26.269 -24.902 1.00 53.24 C ATOM 246 CE1 PHE A 18 -15.970 -24.889 -24.906 1.00 70.25 C ATOM 247 CE2 PHE A 18 -14.770 -26.934 -25.165 1.00 44.25 C ATOM 248 CZ PHE A 18 -15.962 -26.243 -25.166 1.00 43.23 C ATOM 0 H PHE A 18 -11.533 -24.781 -26.721 1.00 43.31 H new ATOM 0 HA PHE A 18 -12.677 -22.388 -25.475 1.00 30.40 H new ATOM 0 HB2 PHE A 18 -11.480 -24.913 -24.283 1.00 15.35 H new ATOM 0 HB3 PHE A 18 -12.354 -23.664 -23.419 1.00 15.35 H new ATOM 0 HD1 PHE A 18 -14.802 -23.167 -24.445 1.00 64.24 H new ATOM 0 HD2 PHE A 18 -12.656 -26.816 -24.903 1.00 53.24 H new ATOM 0 HE1 PHE A 18 -16.903 -24.345 -24.907 1.00 70.25 H new ATOM 0 HE2 PHE A 18 -14.760 -27.994 -25.370 1.00 44.25 H new ATOM 0 HZ PHE A 18 -16.888 -26.761 -25.370 1.00 43.23 H new ATOM 258 N ARG A 19 -10.494 -21.659 -24.245 1.00 54.23 N ATOM 259 CA ARG A 19 -9.235 -21.037 -23.924 1.00 43.41 C ATOM 260 C ARG A 19 -8.688 -21.636 -22.672 1.00 1.33 C ATOM 261 O ARG A 19 -9.412 -21.792 -21.688 1.00 33.11 O ATOM 262 CB ARG A 19 -9.372 -19.548 -23.681 1.00 44.02 C ATOM 263 CG ARG A 19 -10.051 -18.759 -24.766 1.00 31.13 C ATOM 264 CD ARG A 19 -10.007 -17.277 -24.453 1.00 73.23 C ATOM 265 NE ARG A 19 -10.300 -17.005 -23.034 1.00 5.34 N ATOM 266 CZ ARG A 19 -11.155 -16.101 -22.570 1.00 14.22 C ATOM 267 NH1 ARG A 19 -11.956 -15.426 -23.393 1.00 74.43 N ATOM 268 NH2 ARG A 19 -11.224 -15.905 -21.270 1.00 71.35 N ATOM 0 H ARG A 19 -11.286 -21.345 -23.684 1.00 54.23 H new ATOM 0 HA ARG A 19 -8.578 -21.201 -24.778 1.00 43.41 H new ATOM 0 HB2 ARG A 19 -9.925 -19.402 -22.753 1.00 44.02 H new ATOM 0 HB3 ARG A 19 -8.376 -19.133 -23.527 1.00 44.02 H new ATOM 0 HG2 ARG A 19 -9.563 -18.949 -25.722 1.00 31.13 H new ATOM 0 HG3 ARG A 19 -11.086 -19.085 -24.867 1.00 31.13 H new ATOM 0 HD2 ARG A 19 -9.022 -16.883 -24.702 1.00 73.23 H new ATOM 0 HD3 ARG A 19 -10.728 -16.752 -25.080 1.00 73.23 H new ATOM 0 HE ARG A 19 -9.799 -17.564 -22.343 1.00 5.34 H new ATOM 0 HH11 ARG A 19 -11.919 -15.600 -24.397 1.00 74.43 H new ATOM 0 HH12 ARG A 19 -12.607 -14.735 -23.019 1.00 74.43 H new ATOM 0 HH21 ARG A 19 -10.628 -16.443 -20.641 1.00 71.35 H new ATOM 0 HH22 ARG A 19 -11.874 -15.216 -20.892 1.00 71.35 H new ATOM 282 N ALA A 20 -7.442 -21.986 -22.694 1.00 44.11 N ATOM 283 CA ALA A 20 -6.792 -22.418 -21.497 1.00 32.34 C ATOM 284 C ALA A 20 -6.354 -21.169 -20.750 1.00 54.13 C ATOM 285 O ALA A 20 -5.313 -20.580 -21.061 1.00 70.55 O ATOM 286 CB ALA A 20 -5.611 -23.328 -21.812 1.00 45.05 C ATOM 0 H ALA A 20 -6.853 -21.982 -23.527 1.00 44.11 H new ATOM 0 HA ALA A 20 -7.471 -23.006 -20.880 1.00 32.34 H new ATOM 0 HB1 ALA A 20 -5.135 -23.641 -20.883 1.00 45.05 H new ATOM 0 HB2 ALA A 20 -5.963 -24.206 -22.354 1.00 45.05 H new ATOM 0 HB3 ALA A 20 -4.889 -22.788 -22.425 1.00 45.05 H new ATOM 292 N ASP A 21 -7.197 -20.712 -19.845 1.00 63.20 N ATOM 293 CA ASP A 21 -6.939 -19.485 -19.113 1.00 10.35 C ATOM 294 C ASP A 21 -5.968 -19.750 -17.991 1.00 35.31 C ATOM 295 O ASP A 21 -4.931 -19.103 -17.893 1.00 24.44 O ATOM 296 CB ASP A 21 -8.236 -18.875 -18.524 1.00 25.01 C ATOM 297 CG ASP A 21 -9.287 -18.462 -19.547 1.00 42.14 C ATOM 298 OD1 ASP A 21 -9.138 -17.405 -20.201 1.00 50.41 O ATOM 299 OD2 ASP A 21 -10.315 -19.152 -19.672 1.00 34.30 O ATOM 0 H ASP A 21 -8.072 -21.174 -19.597 1.00 63.20 H new ATOM 0 HA ASP A 21 -6.517 -18.770 -19.820 1.00 10.35 H new ATOM 0 HB2 ASP A 21 -8.682 -19.600 -17.843 1.00 25.01 H new ATOM 0 HB3 ASP A 21 -7.969 -18.001 -17.929 1.00 25.01 H new ATOM 304 N LEU A 22 -6.302 -20.738 -17.170 1.00 10.13 N ATOM 305 CA LEU A 22 -5.525 -21.107 -15.985 1.00 54.34 C ATOM 306 C LEU A 22 -5.364 -19.929 -15.052 1.00 4.42 C ATOM 307 O LEU A 22 -4.262 -19.398 -14.860 1.00 42.14 O ATOM 308 CB LEU A 22 -4.149 -21.762 -16.293 1.00 33.12 C ATOM 309 CG LEU A 22 -4.140 -23.180 -16.896 1.00 14.44 C ATOM 310 CD1 LEU A 22 -4.962 -24.137 -16.064 1.00 73.43 C ATOM 311 CD2 LEU A 22 -4.587 -23.190 -18.343 1.00 63.31 C ATOM 0 H LEU A 22 -7.131 -21.316 -17.307 1.00 10.13 H new ATOM 0 HA LEU A 22 -6.110 -21.882 -15.490 1.00 54.34 H new ATOM 0 HB2 LEU A 22 -3.613 -21.105 -16.978 1.00 33.12 H new ATOM 0 HB3 LEU A 22 -3.578 -21.790 -15.365 1.00 33.12 H new ATOM 0 HG LEU A 22 -3.106 -23.523 -16.879 1.00 14.44 H new ATOM 0 HD11 LEU A 22 -4.935 -25.128 -16.517 1.00 73.43 H new ATOM 0 HD12 LEU A 22 -4.552 -24.187 -15.055 1.00 73.43 H new ATOM 0 HD13 LEU A 22 -5.993 -23.787 -16.019 1.00 73.43 H new ATOM 0 HD21 LEU A 22 -4.564 -24.211 -18.724 1.00 63.31 H new ATOM 0 HD22 LEU A 22 -5.602 -22.799 -18.413 1.00 63.31 H new ATOM 0 HD23 LEU A 22 -3.917 -22.567 -18.935 1.00 63.31 H new ATOM 323 N LEU A 23 -6.459 -19.477 -14.535 1.00 54.33 N ATOM 324 CA LEU A 23 -6.454 -18.371 -13.630 1.00 64.53 C ATOM 325 C LEU A 23 -6.257 -18.881 -12.216 1.00 5.00 C ATOM 326 O LEU A 23 -6.768 -19.945 -11.857 1.00 0.42 O ATOM 327 CB LEU A 23 -7.751 -17.568 -13.757 1.00 50.42 C ATOM 328 CG LEU A 23 -8.056 -17.004 -15.158 1.00 74.02 C ATOM 329 CD1 LEU A 23 -9.398 -16.301 -15.176 1.00 41.14 C ATOM 330 CD2 LEU A 23 -6.959 -16.054 -15.615 1.00 5.44 C ATOM 0 H LEU A 23 -7.383 -19.863 -14.727 1.00 54.33 H new ATOM 0 HA LEU A 23 -5.630 -17.702 -13.877 1.00 64.53 H new ATOM 0 HB2 LEU A 23 -8.582 -18.205 -13.454 1.00 50.42 H new ATOM 0 HB3 LEU A 23 -7.712 -16.737 -13.052 1.00 50.42 H new ATOM 0 HG LEU A 23 -8.095 -17.844 -15.852 1.00 74.02 H new ATOM 0 HD11 LEU A 23 -9.591 -15.911 -16.175 1.00 41.14 H new ATOM 0 HD12 LEU A 23 -10.182 -17.007 -14.904 1.00 41.14 H new ATOM 0 HD13 LEU A 23 -9.387 -15.478 -14.461 1.00 41.14 H new ATOM 0 HD21 LEU A 23 -7.199 -15.671 -16.607 1.00 5.44 H new ATOM 0 HD22 LEU A 23 -6.882 -15.223 -14.914 1.00 5.44 H new ATOM 0 HD23 LEU A 23 -6.009 -16.587 -15.653 1.00 5.44 H new ATOM 342 N LYS A 24 -5.485 -18.173 -11.436 1.00 65.20 N ATOM 343 CA LYS A 24 -5.230 -18.570 -10.055 1.00 13.33 C ATOM 344 C LYS A 24 -5.602 -17.429 -9.129 1.00 53.51 C ATOM 345 O LYS A 24 -5.034 -17.256 -8.048 1.00 52.21 O ATOM 346 CB LYS A 24 -3.751 -19.059 -9.821 1.00 71.33 C ATOM 347 CG LYS A 24 -2.610 -18.015 -9.940 1.00 62.11 C ATOM 348 CD LYS A 24 -2.418 -17.456 -11.342 1.00 31.04 C ATOM 349 CE LYS A 24 -2.054 -18.536 -12.362 1.00 62.14 C ATOM 350 NZ LYS A 24 -1.900 -17.987 -13.726 1.00 43.34 N ATOM 0 H LYS A 24 -5.015 -17.314 -11.723 1.00 65.20 H new ATOM 0 HA LYS A 24 -5.857 -19.433 -9.829 1.00 13.33 H new ATOM 0 HB2 LYS A 24 -3.699 -19.498 -8.825 1.00 71.33 H new ATOM 0 HB3 LYS A 24 -3.547 -19.859 -10.533 1.00 71.33 H new ATOM 0 HG2 LYS A 24 -2.815 -17.190 -9.257 1.00 62.11 H new ATOM 0 HG3 LYS A 24 -1.677 -18.475 -9.614 1.00 62.11 H new ATOM 0 HD2 LYS A 24 -3.334 -16.957 -11.658 1.00 31.04 H new ATOM 0 HD3 LYS A 24 -1.633 -16.700 -11.323 1.00 31.04 H new ATOM 0 HE2 LYS A 24 -1.125 -19.020 -12.060 1.00 62.14 H new ATOM 0 HE3 LYS A 24 -2.827 -19.304 -12.367 1.00 62.14 H new ATOM 0 HZ1 LYS A 24 -2.668 -18.341 -14.331 1.00 43.34 H new ATOM 0 HZ2 LYS A 24 -1.939 -16.948 -13.689 1.00 43.34 H new ATOM 0 HZ3 LYS A 24 -0.984 -18.285 -14.119 1.00 43.34 H new ATOM 364 N GLU A 25 -6.611 -16.691 -9.546 1.00 72.04 N ATOM 365 CA GLU A 25 -7.083 -15.550 -8.813 1.00 70.24 C ATOM 366 C GLU A 25 -7.823 -16.037 -7.572 1.00 43.31 C ATOM 367 O GLU A 25 -8.931 -16.575 -7.657 1.00 74.14 O ATOM 368 CB GLU A 25 -8.004 -14.699 -9.693 1.00 75.01 C ATOM 369 CG GLU A 25 -8.421 -13.378 -9.070 1.00 5.12 C ATOM 370 CD GLU A 25 -9.411 -12.634 -9.922 1.00 43.11 C ATOM 371 OE1 GLU A 25 -9.031 -12.095 -10.985 1.00 51.25 O ATOM 372 OE2 GLU A 25 -10.590 -12.553 -9.548 1.00 41.53 O ATOM 0 H GLU A 25 -7.124 -16.873 -10.408 1.00 72.04 H new ATOM 0 HA GLU A 25 -6.240 -14.929 -8.511 1.00 70.24 H new ATOM 0 HB2 GLU A 25 -7.500 -14.498 -10.638 1.00 75.01 H new ATOM 0 HB3 GLU A 25 -8.899 -15.276 -9.926 1.00 75.01 H new ATOM 0 HG2 GLU A 25 -8.857 -13.563 -8.088 1.00 5.12 H new ATOM 0 HG3 GLU A 25 -7.539 -12.757 -8.915 1.00 5.12 H new ATOM 379 N MET A 26 -7.175 -15.922 -6.448 1.00 34.12 N ATOM 380 CA MET A 26 -7.743 -16.328 -5.192 1.00 45.53 C ATOM 381 C MET A 26 -7.726 -15.148 -4.275 1.00 21.51 C ATOM 382 O MET A 26 -6.658 -14.603 -4.008 1.00 23.43 O ATOM 383 CB MET A 26 -6.900 -17.421 -4.531 1.00 73.42 C ATOM 384 CG MET A 26 -6.658 -18.673 -5.340 1.00 42.34 C ATOM 385 SD MET A 26 -5.554 -19.810 -4.467 1.00 73.21 S ATOM 386 CE MET A 26 -5.397 -21.113 -5.679 1.00 12.14 C ATOM 0 H MET A 26 -6.231 -15.542 -6.376 1.00 34.12 H new ATOM 0 HA MET A 26 -8.750 -16.704 -5.372 1.00 45.53 H new ATOM 0 HB2 MET A 26 -5.932 -16.993 -4.269 1.00 73.42 H new ATOM 0 HB3 MET A 26 -7.385 -17.707 -3.598 1.00 73.42 H new ATOM 0 HG2 MET A 26 -7.608 -19.168 -5.543 1.00 42.34 H new ATOM 0 HG3 MET A 26 -6.224 -18.408 -6.304 1.00 42.34 H new ATOM 0 HE1 MET A 26 -4.744 -21.895 -5.290 1.00 12.14 H new ATOM 0 HE2 MET A 26 -6.380 -21.533 -5.891 1.00 12.14 H new ATOM 0 HE3 MET A 26 -4.971 -20.707 -6.596 1.00 12.14 H new ATOM 396 N GLU A 27 -8.861 -14.725 -3.820 1.00 2.24 N ATOM 397 CA GLU A 27 -8.902 -13.660 -2.863 1.00 71.24 C ATOM 398 C GLU A 27 -9.887 -13.943 -1.763 1.00 44.51 C ATOM 399 O GLU A 27 -10.757 -14.820 -1.891 1.00 24.22 O ATOM 400 CB GLU A 27 -9.124 -12.257 -3.511 1.00 31.54 C ATOM 401 CG GLU A 27 -10.357 -12.074 -4.429 1.00 3.21 C ATOM 402 CD GLU A 27 -11.709 -12.254 -3.748 1.00 53.23 C ATOM 403 OE1 GLU A 27 -11.922 -11.729 -2.634 1.00 41.51 O ATOM 404 OE2 GLU A 27 -12.594 -12.955 -4.331 1.00 5.22 O ATOM 0 H GLU A 27 -9.771 -15.097 -4.092 1.00 2.24 H new ATOM 0 HA GLU A 27 -7.911 -13.617 -2.410 1.00 71.24 H new ATOM 0 HB2 GLU A 27 -9.193 -11.524 -2.707 1.00 31.54 H new ATOM 0 HB3 GLU A 27 -8.235 -12.011 -4.091 1.00 31.54 H new ATOM 0 HG2 GLU A 27 -10.319 -11.076 -4.866 1.00 3.21 H new ATOM 0 HG3 GLU A 27 -10.286 -12.785 -5.252 1.00 3.21 H new ATOM 411 N SER A 28 -9.714 -13.265 -0.692 1.00 53.23 N ATOM 412 CA SER A 28 -10.621 -13.287 0.384 1.00 23.14 C ATOM 413 C SER A 28 -10.723 -11.869 0.883 1.00 32.22 C ATOM 414 O SER A 28 -10.074 -11.484 1.863 1.00 2.01 O ATOM 415 CB SER A 28 -10.166 -14.253 1.502 1.00 75.10 C ATOM 416 OG SER A 28 -11.133 -14.344 2.555 1.00 33.43 O ATOM 0 H SER A 28 -8.908 -12.659 -0.538 1.00 53.23 H new ATOM 0 HA SER A 28 -11.594 -13.658 0.060 1.00 23.14 H new ATOM 0 HB2 SER A 28 -9.995 -15.243 1.079 1.00 75.10 H new ATOM 0 HB3 SER A 28 -9.215 -13.913 1.911 1.00 75.10 H new ATOM 0 HG SER A 28 -11.152 -13.502 3.055 1.00 33.43 H new ATOM 422 N SER A 29 -11.410 -11.049 0.128 1.00 72.52 N ATOM 423 CA SER A 29 -11.615 -9.697 0.525 1.00 21.34 C ATOM 424 C SER A 29 -12.622 -9.664 1.673 1.00 3.23 C ATOM 425 O SER A 29 -13.842 -9.647 1.473 1.00 44.32 O ATOM 426 CB SER A 29 -12.049 -8.820 -0.655 1.00 63.21 C ATOM 427 OG SER A 29 -12.088 -7.452 -0.284 1.00 61.10 O ATOM 0 H SER A 29 -11.833 -11.303 -0.764 1.00 72.52 H new ATOM 0 HA SER A 29 -10.672 -9.277 0.876 1.00 21.34 H new ATOM 0 HB2 SER A 29 -11.358 -8.955 -1.487 1.00 63.21 H new ATOM 0 HB3 SER A 29 -13.033 -9.134 -1.004 1.00 63.21 H new ATOM 0 HG SER A 29 -12.366 -6.912 -1.053 1.00 61.10 H new ATOM 433 N THR A 30 -12.090 -9.786 2.850 1.00 20.35 N ATOM 434 CA THR A 30 -12.817 -9.776 4.063 1.00 73.45 C ATOM 435 C THR A 30 -12.104 -8.856 5.025 1.00 74.22 C ATOM 436 O THR A 30 -10.896 -9.003 5.227 1.00 31.02 O ATOM 437 CB THR A 30 -12.864 -11.211 4.652 1.00 32.32 C ATOM 438 OG1 THR A 30 -11.579 -11.849 4.475 1.00 12.30 O ATOM 439 CG2 THR A 30 -13.933 -12.051 3.993 1.00 32.45 C ATOM 0 H THR A 30 -11.086 -9.901 2.988 1.00 20.35 H new ATOM 0 HA THR A 30 -13.837 -9.432 3.893 1.00 73.45 H new ATOM 0 HB THR A 30 -13.103 -11.129 5.712 1.00 32.32 H new ATOM 0 HG1 THR A 30 -10.865 -11.203 4.658 1.00 12.30 H new ATOM 0 HG21 THR A 30 -13.934 -13.048 4.433 1.00 32.45 H new ATOM 0 HG22 THR A 30 -14.907 -11.586 4.146 1.00 32.45 H new ATOM 0 HG23 THR A 30 -13.730 -12.126 2.925 1.00 32.45 H new ATOM 447 N GLY A 31 -12.822 -7.896 5.584 1.00 21.13 N ATOM 448 CA GLY A 31 -12.235 -6.968 6.536 1.00 54.12 C ATOM 449 C GLY A 31 -12.106 -7.597 7.905 1.00 21.24 C ATOM 450 O GLY A 31 -12.764 -7.178 8.857 1.00 10.41 O ATOM 0 H GLY A 31 -13.812 -7.739 5.395 1.00 21.13 H new ATOM 0 HA2 GLY A 31 -11.253 -6.654 6.183 1.00 54.12 H new ATOM 0 HA3 GLY A 31 -12.852 -6.072 6.601 1.00 54.12 H new ATOM 454 N THR A 32 -11.292 -8.605 7.987 1.00 51.25 N ATOM 455 CA THR A 32 -11.093 -9.365 9.191 1.00 55.45 C ATOM 456 C THR A 32 -9.829 -8.888 9.896 1.00 63.11 C ATOM 457 O THR A 32 -8.849 -8.535 9.231 1.00 41.01 O ATOM 458 CB THR A 32 -10.910 -10.852 8.816 1.00 11.00 C ATOM 459 OG1 THR A 32 -11.923 -11.221 7.866 1.00 33.44 O ATOM 460 CG2 THR A 32 -11.032 -11.757 10.038 1.00 65.51 C ATOM 0 H THR A 32 -10.732 -8.933 7.200 1.00 51.25 H new ATOM 0 HA THR A 32 -11.953 -9.236 9.848 1.00 55.45 H new ATOM 0 HB THR A 32 -9.913 -10.976 8.394 1.00 11.00 H new ATOM 0 HG1 THR A 32 -11.814 -12.163 7.621 1.00 33.44 H new ATOM 0 HG21 THR A 32 -10.898 -12.796 9.736 1.00 65.51 H new ATOM 0 HG22 THR A 32 -10.267 -11.489 10.767 1.00 65.51 H new ATOM 0 HG23 THR A 32 -12.018 -11.634 10.485 1.00 65.51 H new ATOM 468 N ALA A 33 -9.866 -8.856 11.219 1.00 13.05 N ATOM 469 CA ALA A 33 -8.699 -8.552 11.999 1.00 4.02 C ATOM 470 C ALA A 33 -7.801 -9.778 11.935 1.00 12.53 C ATOM 471 O ALA A 33 -8.184 -10.843 12.428 1.00 33.33 O ATOM 472 CB ALA A 33 -9.097 -8.261 13.442 1.00 30.23 C ATOM 0 H ALA A 33 -10.705 -9.040 11.770 1.00 13.05 H new ATOM 0 HA ALA A 33 -8.184 -7.671 11.614 1.00 4.02 H new ATOM 0 HB1 ALA A 33 -8.206 -8.032 14.026 1.00 30.23 H new ATOM 0 HB2 ALA A 33 -9.777 -7.409 13.467 1.00 30.23 H new ATOM 0 HB3 ALA A 33 -9.594 -9.134 13.866 1.00 30.23 H new ATOM 478 N PRO A 34 -6.633 -9.691 11.301 1.00 73.41 N ATOM 479 CA PRO A 34 -5.800 -10.841 11.086 1.00 63.42 C ATOM 480 C PRO A 34 -4.864 -11.134 12.239 1.00 72.21 C ATOM 481 O PRO A 34 -4.807 -10.406 13.252 1.00 62.23 O ATOM 482 CB PRO A 34 -4.980 -10.474 9.838 1.00 63.10 C ATOM 483 CG PRO A 34 -5.317 -9.040 9.533 1.00 52.45 C ATOM 484 CD PRO A 34 -6.010 -8.493 10.744 1.00 61.43 C ATOM 0 HA PRO A 34 -6.407 -11.740 10.980 1.00 63.42 H new ATOM 0 HB2 PRO A 34 -3.912 -10.594 10.022 1.00 63.10 H new ATOM 0 HB3 PRO A 34 -5.233 -11.122 8.999 1.00 63.10 H new ATOM 0 HG2 PRO A 34 -4.415 -8.469 9.312 1.00 52.45 H new ATOM 0 HG3 PRO A 34 -5.960 -8.972 8.655 1.00 52.45 H new ATOM 0 HD2 PRO A 34 -5.310 -8.034 11.443 1.00 61.43 H new ATOM 0 HD3 PRO A 34 -6.747 -7.733 10.485 1.00 61.43 H new ATOM 492 N ALA A 35 -4.149 -12.192 12.079 1.00 14.41 N ATOM 493 CA ALA A 35 -3.149 -12.628 12.984 1.00 73.21 C ATOM 494 C ALA A 35 -2.194 -13.447 12.176 1.00 31.10 C ATOM 495 O ALA A 35 -2.488 -13.744 11.004 1.00 51.43 O ATOM 496 CB ALA A 35 -3.748 -13.457 14.113 1.00 71.34 C ATOM 0 H ALA A 35 -4.253 -12.807 11.272 1.00 14.41 H new ATOM 0 HA ALA A 35 -2.652 -11.781 13.457 1.00 73.21 H new ATOM 0 HB1 ALA A 35 -2.956 -13.776 14.790 1.00 71.34 H new ATOM 0 HB2 ALA A 35 -4.473 -12.855 14.661 1.00 71.34 H new ATOM 0 HB3 ALA A 35 -4.245 -14.333 13.697 1.00 71.34 H new ATOM 502 N SER A 36 -1.084 -13.806 12.746 1.00 14.10 N ATOM 503 CA SER A 36 -0.101 -14.597 12.067 1.00 13.33 C ATOM 504 C SER A 36 -0.675 -15.999 11.782 1.00 21.42 C ATOM 505 O SER A 36 -0.706 -16.876 12.654 1.00 71.12 O ATOM 506 CB SER A 36 1.141 -14.672 12.926 1.00 25.21 C ATOM 507 OG SER A 36 1.520 -13.362 13.369 1.00 24.41 O ATOM 0 H SER A 36 -0.832 -13.557 13.703 1.00 14.10 H new ATOM 0 HA SER A 36 0.163 -14.143 11.112 1.00 13.33 H new ATOM 0 HB2 SER A 36 0.958 -15.315 13.787 1.00 25.21 H new ATOM 0 HB3 SER A 36 1.956 -15.122 12.360 1.00 25.21 H new ATOM 0 HG SER A 36 2.324 -13.425 13.925 1.00 24.41 H new ATOM 513 N THR A 37 -1.189 -16.162 10.587 1.00 25.02 N ATOM 514 CA THR A 37 -1.847 -17.363 10.177 1.00 2.21 C ATOM 515 C THR A 37 -0.824 -18.457 9.878 1.00 55.12 C ATOM 516 O THR A 37 -0.187 -18.454 8.820 1.00 44.04 O ATOM 517 CB THR A 37 -2.716 -17.061 8.945 1.00 43.14 C ATOM 518 OG1 THR A 37 -3.548 -15.918 9.253 1.00 0.42 O ATOM 519 CG2 THR A 37 -3.604 -18.242 8.589 1.00 41.30 C ATOM 0 H THR A 37 -1.157 -15.444 9.863 1.00 25.02 H new ATOM 0 HA THR A 37 -2.487 -17.726 10.981 1.00 2.21 H new ATOM 0 HB THR A 37 -2.067 -16.860 8.093 1.00 43.14 H new ATOM 0 HG1 THR A 37 -4.111 -15.705 8.480 1.00 0.42 H new ATOM 0 HG21 THR A 37 -4.205 -17.995 7.714 1.00 41.30 H new ATOM 0 HG22 THR A 37 -2.983 -19.111 8.369 1.00 41.30 H new ATOM 0 HG23 THR A 37 -4.262 -18.469 9.428 1.00 41.30 H new ATOM 527 N GLY A 38 -0.641 -19.349 10.846 1.00 43.20 N ATOM 528 CA GLY A 38 0.309 -20.425 10.714 1.00 63.33 C ATOM 529 C GLY A 38 1.724 -19.907 10.575 1.00 11.42 C ATOM 530 O GLY A 38 2.404 -20.237 9.625 1.00 34.24 O ATOM 0 H GLY A 38 -1.146 -19.339 11.732 1.00 43.20 H new ATOM 0 HA2 GLY A 38 0.244 -21.077 11.585 1.00 63.33 H new ATOM 0 HA3 GLY A 38 0.055 -21.030 9.843 1.00 63.33 H new ATOM 534 N ALA A 39 2.167 -19.121 11.539 1.00 74.11 N ATOM 535 CA ALA A 39 3.488 -18.485 11.509 1.00 2.44 C ATOM 536 C ALA A 39 4.609 -19.520 11.486 1.00 72.24 C ATOM 537 O ALA A 39 5.623 -19.346 10.803 1.00 34.12 O ATOM 538 CB ALA A 39 3.652 -17.561 12.705 1.00 61.14 C ATOM 0 H ALA A 39 1.624 -18.899 12.373 1.00 74.11 H new ATOM 0 HA ALA A 39 3.556 -17.901 10.591 1.00 2.44 H new ATOM 0 HB1 ALA A 39 4.637 -17.094 12.672 1.00 61.14 H new ATOM 0 HB2 ALA A 39 2.883 -16.789 12.676 1.00 61.14 H new ATOM 0 HB3 ALA A 39 3.554 -18.136 13.626 1.00 61.14 H new ATOM 544 N GLU A 40 4.411 -20.606 12.206 1.00 51.20 N ATOM 545 CA GLU A 40 5.414 -21.651 12.273 1.00 43.51 C ATOM 546 C GLU A 40 5.313 -22.597 11.073 1.00 11.33 C ATOM 547 O GLU A 40 6.257 -23.299 10.748 1.00 34.32 O ATOM 548 CB GLU A 40 5.318 -22.409 13.591 1.00 51.44 C ATOM 549 CG GLU A 40 3.999 -23.116 13.826 1.00 65.00 C ATOM 550 CD GLU A 40 3.941 -23.731 15.188 1.00 1.44 C ATOM 551 OE1 GLU A 40 4.444 -24.840 15.374 1.00 2.14 O ATOM 552 OE2 GLU A 40 3.390 -23.101 16.113 1.00 14.10 O ATOM 0 H GLU A 40 3.568 -20.788 12.751 1.00 51.20 H new ATOM 0 HA GLU A 40 6.396 -21.179 12.231 1.00 43.51 H new ATOM 0 HB2 GLU A 40 6.120 -23.146 13.629 1.00 51.44 H new ATOM 0 HB3 GLU A 40 5.489 -21.709 14.409 1.00 51.44 H new ATOM 0 HG2 GLU A 40 3.179 -22.407 13.711 1.00 65.00 H new ATOM 0 HG3 GLU A 40 3.860 -23.889 13.070 1.00 65.00 H new ATOM 559 N ASN A 41 4.161 -22.607 10.428 1.00 13.11 N ATOM 560 CA ASN A 41 3.959 -23.434 9.232 1.00 32.42 C ATOM 561 C ASN A 41 4.495 -22.677 8.033 1.00 33.34 C ATOM 562 O ASN A 41 5.086 -23.245 7.118 1.00 43.13 O ATOM 563 CB ASN A 41 2.462 -23.745 9.001 1.00 1.25 C ATOM 564 CG ASN A 41 1.784 -24.458 10.162 1.00 5.21 C ATOM 565 OD1 ASN A 41 2.416 -25.182 10.932 1.00 21.32 O ATOM 566 ND2 ASN A 41 0.489 -24.263 10.291 1.00 22.32 N ATOM 0 H ASN A 41 3.348 -22.057 10.704 1.00 13.11 H new ATOM 0 HA ASN A 41 4.483 -24.380 9.370 1.00 32.42 H new ATOM 0 HB2 ASN A 41 1.935 -22.811 8.806 1.00 1.25 H new ATOM 0 HB3 ASN A 41 2.364 -24.359 8.106 1.00 1.25 H new ATOM 0 HD21 ASN A 41 -0.022 -24.718 11.047 1.00 22.32 H new ATOM 0 HD22 ASN A 41 -0.003 -23.657 9.635 1.00 22.32 H new ATOM 573 N LEU A 42 4.290 -21.377 8.104 1.00 11.21 N ATOM 574 CA LEU A 42 4.644 -20.383 7.124 1.00 14.43 C ATOM 575 C LEU A 42 4.113 -20.752 5.730 1.00 73.45 C ATOM 576 O LEU A 42 4.839 -21.317 4.892 1.00 4.23 O ATOM 577 CB LEU A 42 6.157 -20.117 7.138 1.00 33.51 C ATOM 578 CG LEU A 42 6.658 -18.719 6.670 1.00 74.43 C ATOM 579 CD1 LEU A 42 6.258 -18.368 5.239 1.00 61.20 C ATOM 580 CD2 LEU A 42 6.191 -17.650 7.638 1.00 52.10 C ATOM 0 H LEU A 42 3.835 -20.960 8.916 1.00 11.21 H new ATOM 0 HA LEU A 42 4.157 -19.446 7.393 1.00 14.43 H new ATOM 0 HB2 LEU A 42 6.515 -20.276 8.155 1.00 33.51 H new ATOM 0 HB3 LEU A 42 6.634 -20.870 6.511 1.00 33.51 H new ATOM 0 HG LEU A 42 7.747 -18.764 6.668 1.00 74.43 H new ATOM 0 HD11 LEU A 42 6.643 -17.380 4.986 1.00 61.20 H new ATOM 0 HD12 LEU A 42 6.674 -19.106 4.553 1.00 61.20 H new ATOM 0 HD13 LEU A 42 5.171 -18.366 5.155 1.00 61.20 H new ATOM 0 HD21 LEU A 42 6.546 -16.675 7.303 1.00 52.10 H new ATOM 0 HD22 LEU A 42 5.102 -17.646 7.677 1.00 52.10 H new ATOM 0 HD23 LEU A 42 6.589 -17.859 8.631 1.00 52.10 H new ATOM 592 N PRO A 43 2.808 -20.537 5.495 1.00 52.53 N ATOM 593 CA PRO A 43 2.208 -20.751 4.199 1.00 53.14 C ATOM 594 C PRO A 43 2.382 -19.504 3.334 1.00 11.52 C ATOM 595 O PRO A 43 3.216 -19.467 2.429 1.00 72.24 O ATOM 596 CB PRO A 43 0.713 -21.013 4.528 1.00 13.31 C ATOM 597 CG PRO A 43 0.589 -20.874 6.024 1.00 62.42 C ATOM 598 CD PRO A 43 1.806 -20.118 6.476 1.00 4.04 C ATOM 0 HA PRO A 43 2.655 -21.572 3.639 1.00 53.14 H new ATOM 0 HB2 PRO A 43 0.069 -20.299 4.015 1.00 13.31 H new ATOM 0 HB3 PRO A 43 0.410 -22.008 4.202 1.00 13.31 H new ATOM 0 HG2 PRO A 43 -0.323 -20.340 6.291 1.00 62.42 H new ATOM 0 HG3 PRO A 43 0.538 -21.852 6.503 1.00 62.42 H new ATOM 0 HD2 PRO A 43 1.646 -19.040 6.460 1.00 4.04 H new ATOM 0 HD3 PRO A 43 2.096 -20.382 7.493 1.00 4.04 H new ATOM 606 N ALA A 44 1.640 -18.477 3.671 1.00 61.04 N ATOM 607 CA ALA A 44 1.704 -17.208 3.028 1.00 51.10 C ATOM 608 C ALA A 44 1.322 -16.165 4.048 1.00 14.10 C ATOM 609 O ALA A 44 0.156 -16.043 4.397 1.00 51.10 O ATOM 610 CB ALA A 44 0.764 -17.151 1.823 1.00 32.40 C ATOM 0 H ALA A 44 0.956 -18.514 4.427 1.00 61.04 H new ATOM 0 HA ALA A 44 2.712 -17.029 2.653 1.00 51.10 H new ATOM 0 HB1 ALA A 44 0.835 -16.170 1.353 1.00 32.40 H new ATOM 0 HB2 ALA A 44 1.047 -17.920 1.104 1.00 32.40 H new ATOM 0 HB3 ALA A 44 -0.261 -17.322 2.153 1.00 32.40 H new ATOM 616 N GLY A 45 2.300 -15.476 4.572 1.00 42.33 N ATOM 617 CA GLY A 45 2.033 -14.448 5.562 1.00 70.22 C ATOM 618 C GLY A 45 2.126 -13.088 4.941 1.00 32.13 C ATOM 619 O GLY A 45 2.593 -12.136 5.547 1.00 31.34 O ATOM 0 H GLY A 45 3.285 -15.601 4.337 1.00 42.33 H new ATOM 0 HA2 GLY A 45 1.040 -14.593 5.988 1.00 70.22 H new ATOM 0 HA3 GLY A 45 2.746 -14.530 6.382 1.00 70.22 H new ATOM 623 N SER A 46 1.747 -13.023 3.704 1.00 61.02 N ATOM 624 CA SER A 46 1.774 -11.826 2.943 1.00 73.12 C ATOM 625 C SER A 46 0.451 -11.691 2.193 1.00 11.22 C ATOM 626 O SER A 46 -0.319 -12.654 2.122 1.00 14.11 O ATOM 627 CB SER A 46 2.950 -11.898 1.984 1.00 44.21 C ATOM 628 OG SER A 46 4.146 -12.189 2.711 1.00 31.22 O ATOM 0 H SER A 46 1.400 -13.830 3.185 1.00 61.02 H new ATOM 0 HA SER A 46 1.895 -10.951 3.582 1.00 73.12 H new ATOM 0 HB2 SER A 46 2.773 -12.668 1.233 1.00 44.21 H new ATOM 0 HB3 SER A 46 3.057 -10.952 1.452 1.00 44.21 H new ATOM 0 HG SER A 46 4.903 -12.236 2.090 1.00 31.22 H new ATOM 634 N ALA A 47 0.191 -10.529 1.654 1.00 3.15 N ATOM 635 CA ALA A 47 -1.011 -10.277 0.902 1.00 41.41 C ATOM 636 C ALA A 47 -0.704 -9.203 -0.123 1.00 31.32 C ATOM 637 O ALA A 47 0.473 -8.829 -0.282 1.00 0.43 O ATOM 638 CB ALA A 47 -2.141 -9.862 1.831 1.00 14.44 C ATOM 0 H ALA A 47 0.813 -9.723 1.725 1.00 3.15 H new ATOM 0 HA ALA A 47 -1.341 -11.181 0.390 1.00 41.41 H new ATOM 0 HB1 ALA A 47 -3.042 -9.675 1.247 1.00 14.44 H new ATOM 0 HB2 ALA A 47 -2.333 -10.659 2.549 1.00 14.44 H new ATOM 0 HB3 ALA A 47 -1.859 -8.954 2.364 1.00 14.44 H new ATOM 644 N LEU A 48 -1.708 -8.690 -0.796 1.00 12.13 N ATOM 645 CA LEU A 48 -1.469 -7.710 -1.831 1.00 0.31 C ATOM 646 C LEU A 48 -2.225 -6.436 -1.566 1.00 72.42 C ATOM 647 O LEU A 48 -3.273 -6.441 -0.905 1.00 10.22 O ATOM 648 CB LEU A 48 -1.711 -8.265 -3.293 1.00 23.03 C ATOM 649 CG LEU A 48 -3.139 -8.728 -3.761 1.00 51.24 C ATOM 650 CD1 LEU A 48 -3.753 -9.798 -2.874 1.00 2.13 C ATOM 651 CD2 LEU A 48 -4.103 -7.562 -3.980 1.00 70.34 C ATOM 0 H LEU A 48 -2.688 -8.931 -0.648 1.00 12.13 H new ATOM 0 HA LEU A 48 -0.406 -7.474 -1.790 1.00 0.31 H new ATOM 0 HB2 LEU A 48 -1.384 -7.490 -3.986 1.00 23.03 H new ATOM 0 HB3 LEU A 48 -1.041 -9.114 -3.426 1.00 23.03 H new ATOM 0 HG LEU A 48 -2.972 -9.193 -4.733 1.00 51.24 H new ATOM 0 HD11 LEU A 48 -4.737 -10.068 -3.258 1.00 2.13 H new ATOM 0 HD12 LEU A 48 -3.111 -10.679 -2.869 1.00 2.13 H new ATOM 0 HD13 LEU A 48 -3.852 -9.416 -1.858 1.00 2.13 H new ATOM 0 HD21 LEU A 48 -5.071 -7.946 -4.302 1.00 70.34 H new ATOM 0 HD22 LEU A 48 -4.223 -7.009 -3.048 1.00 70.34 H new ATOM 0 HD23 LEU A 48 -3.703 -6.898 -4.746 1.00 70.34 H new ATOM 663 N LEU A 49 -1.696 -5.363 -2.052 1.00 62.12 N ATOM 664 CA LEU A 49 -2.308 -4.084 -1.911 1.00 12.44 C ATOM 665 C LEU A 49 -2.441 -3.400 -3.249 1.00 3.30 C ATOM 666 O LEU A 49 -1.600 -3.588 -4.147 1.00 34.44 O ATOM 667 CB LEU A 49 -1.570 -3.214 -0.862 1.00 0.25 C ATOM 668 CG LEU A 49 -0.021 -3.149 -0.906 1.00 40.01 C ATOM 669 CD1 LEU A 49 0.498 -2.357 -2.096 1.00 22.10 C ATOM 670 CD2 LEU A 49 0.529 -2.585 0.398 1.00 72.55 C ATOM 0 H LEU A 49 -0.815 -5.350 -2.565 1.00 62.12 H new ATOM 0 HA LEU A 49 -3.319 -4.229 -1.529 1.00 12.44 H new ATOM 0 HB2 LEU A 49 -1.946 -2.195 -0.954 1.00 0.25 H new ATOM 0 HB3 LEU A 49 -1.858 -3.572 0.126 1.00 0.25 H new ATOM 0 HG LEU A 49 0.336 -4.172 -1.029 1.00 40.01 H new ATOM 0 HD11 LEU A 49 1.588 -2.344 -2.077 1.00 22.10 H new ATOM 0 HD12 LEU A 49 0.157 -2.823 -3.020 1.00 22.10 H new ATOM 0 HD13 LEU A 49 0.122 -1.335 -2.045 1.00 22.10 H new ATOM 0 HD21 LEU A 49 1.617 -2.547 0.348 1.00 72.55 H new ATOM 0 HD22 LEU A 49 0.138 -1.580 0.553 1.00 72.55 H new ATOM 0 HD23 LEU A 49 0.226 -3.224 1.227 1.00 72.55 H new ATOM 682 N VAL A 50 -3.506 -2.665 -3.411 1.00 30.15 N ATOM 683 CA VAL A 50 -3.745 -1.927 -4.623 1.00 22.32 C ATOM 684 C VAL A 50 -4.119 -0.497 -4.277 1.00 4.10 C ATOM 685 O VAL A 50 -4.788 -0.241 -3.266 1.00 22.15 O ATOM 686 CB VAL A 50 -4.855 -2.568 -5.548 1.00 61.22 C ATOM 687 CG1 VAL A 50 -4.482 -3.974 -5.982 1.00 2.10 C ATOM 688 CG2 VAL A 50 -6.221 -2.580 -4.885 1.00 5.23 C ATOM 0 H VAL A 50 -4.235 -2.560 -2.706 1.00 30.15 H new ATOM 0 HA VAL A 50 -2.819 -1.955 -5.197 1.00 22.32 H new ATOM 0 HB VAL A 50 -4.913 -1.933 -6.432 1.00 61.22 H new ATOM 0 HG11 VAL A 50 -5.270 -4.380 -6.616 1.00 2.10 H new ATOM 0 HG12 VAL A 50 -3.546 -3.946 -6.539 1.00 2.10 H new ATOM 0 HG13 VAL A 50 -4.362 -4.607 -5.102 1.00 2.10 H new ATOM 0 HG21 VAL A 50 -6.949 -3.030 -5.560 1.00 5.23 H new ATOM 0 HG22 VAL A 50 -6.173 -3.161 -3.964 1.00 5.23 H new ATOM 0 HG23 VAL A 50 -6.523 -1.558 -4.655 1.00 5.23 H new ATOM 698 N VAL A 51 -3.659 0.426 -5.062 1.00 71.23 N ATOM 699 CA VAL A 51 -4.010 1.815 -4.865 1.00 13.13 C ATOM 700 C VAL A 51 -5.195 2.117 -5.730 1.00 74.21 C ATOM 701 O VAL A 51 -5.121 2.025 -6.957 1.00 21.13 O ATOM 702 CB VAL A 51 -2.830 2.774 -5.175 1.00 3.53 C ATOM 703 CG1 VAL A 51 -3.238 4.228 -4.976 1.00 13.00 C ATOM 704 CG2 VAL A 51 -1.648 2.445 -4.281 1.00 54.43 C ATOM 0 H VAL A 51 -3.036 0.251 -5.851 1.00 71.23 H new ATOM 0 HA VAL A 51 -4.254 1.977 -3.815 1.00 13.13 H new ATOM 0 HB VAL A 51 -2.547 2.638 -6.219 1.00 3.53 H new ATOM 0 HG11 VAL A 51 -2.392 4.877 -5.200 1.00 13.00 H new ATOM 0 HG12 VAL A 51 -4.066 4.468 -5.643 1.00 13.00 H new ATOM 0 HG13 VAL A 51 -3.548 4.381 -3.942 1.00 13.00 H new ATOM 0 HG21 VAL A 51 -0.823 3.122 -4.504 1.00 54.43 H new ATOM 0 HG22 VAL A 51 -1.939 2.559 -3.237 1.00 54.43 H new ATOM 0 HG23 VAL A 51 -1.332 1.417 -4.459 1.00 54.43 H new ATOM 714 N LYS A 52 -6.288 2.441 -5.090 1.00 34.12 N ATOM 715 CA LYS A 52 -7.529 2.657 -5.781 1.00 21.33 C ATOM 716 C LYS A 52 -7.540 4.070 -6.334 1.00 22.02 C ATOM 717 O LYS A 52 -7.975 4.315 -7.462 1.00 21.11 O ATOM 718 CB LYS A 52 -8.705 2.439 -4.809 1.00 11.55 C ATOM 719 CG LYS A 52 -9.942 1.774 -5.420 1.00 32.22 C ATOM 720 CD LYS A 52 -10.567 2.577 -6.549 1.00 4.23 C ATOM 721 CE LYS A 52 -11.752 1.841 -7.158 1.00 10.14 C ATOM 722 NZ LYS A 52 -11.368 0.533 -7.745 1.00 40.02 N ATOM 0 H LYS A 52 -6.342 2.562 -4.079 1.00 34.12 H new ATOM 0 HA LYS A 52 -7.632 1.951 -6.605 1.00 21.33 H new ATOM 0 HB2 LYS A 52 -8.358 1.828 -3.976 1.00 11.55 H new ATOM 0 HB3 LYS A 52 -8.998 3.404 -4.396 1.00 11.55 H new ATOM 0 HG2 LYS A 52 -9.667 0.788 -5.795 1.00 32.22 H new ATOM 0 HG3 LYS A 52 -10.686 1.621 -4.638 1.00 32.22 H new ATOM 0 HD2 LYS A 52 -10.893 3.547 -6.172 1.00 4.23 H new ATOM 0 HD3 LYS A 52 -9.820 2.769 -7.319 1.00 4.23 H new ATOM 0 HE2 LYS A 52 -12.510 1.683 -6.391 1.00 10.14 H new ATOM 0 HE3 LYS A 52 -12.204 2.463 -7.930 1.00 10.14 H new ATOM 0 HZ1 LYS A 52 -12.126 0.198 -8.373 1.00 40.02 H new ATOM 0 HZ2 LYS A 52 -10.489 0.642 -8.290 1.00 40.02 H new ATOM 0 HZ3 LYS A 52 -11.219 -0.159 -6.983 1.00 40.02 H new ATOM 736 N ARG A 53 -7.015 4.984 -5.560 1.00 62.44 N ATOM 737 CA ARG A 53 -6.996 6.365 -5.941 1.00 61.41 C ATOM 738 C ARG A 53 -5.699 6.958 -5.484 1.00 4.53 C ATOM 739 O ARG A 53 -5.411 6.943 -4.289 1.00 62.45 O ATOM 740 CB ARG A 53 -8.178 7.110 -5.288 1.00 0.31 C ATOM 741 CG ARG A 53 -8.318 8.577 -5.701 1.00 54.42 C ATOM 742 CD ARG A 53 -8.548 8.710 -7.196 1.00 72.14 C ATOM 743 NE ARG A 53 -9.736 7.979 -7.628 1.00 43.41 N ATOM 744 CZ ARG A 53 -9.865 7.317 -8.776 1.00 60.33 C ATOM 745 NH1 ARG A 53 -8.840 7.230 -9.622 1.00 14.53 N ATOM 746 NH2 ARG A 53 -11.008 6.709 -9.057 1.00 40.20 N ATOM 0 H ARG A 53 -6.591 4.790 -4.653 1.00 62.44 H new ATOM 0 HA ARG A 53 -7.090 6.457 -7.023 1.00 61.41 H new ATOM 0 HB2 ARG A 53 -9.101 6.587 -5.537 1.00 0.31 H new ATOM 0 HB3 ARG A 53 -8.066 7.061 -4.205 1.00 0.31 H new ATOM 0 HG2 ARG A 53 -9.149 9.031 -5.161 1.00 54.42 H new ATOM 0 HG3 ARG A 53 -7.418 9.124 -5.419 1.00 54.42 H new ATOM 0 HD2 ARG A 53 -8.655 9.763 -7.455 1.00 72.14 H new ATOM 0 HD3 ARG A 53 -7.676 8.337 -7.733 1.00 72.14 H new ATOM 0 HE ARG A 53 -10.536 7.975 -6.996 1.00 43.41 H new ATOM 0 HH11 ARG A 53 -7.950 7.672 -9.392 1.00 14.53 H new ATOM 0 HH12 ARG A 53 -8.945 6.721 -10.500 1.00 14.53 H new ATOM 0 HH21 ARG A 53 -11.783 6.750 -8.395 1.00 40.20 H new ATOM 0 HH22 ARG A 53 -11.113 6.200 -9.935 1.00 40.20 H new ATOM 760 N GLY A 54 -4.893 7.411 -6.413 1.00 72.42 N ATOM 761 CA GLY A 54 -3.662 8.030 -6.043 1.00 61.41 C ATOM 762 C GLY A 54 -2.545 7.831 -7.046 1.00 51.30 C ATOM 763 O GLY A 54 -2.206 6.690 -7.375 1.00 25.55 O ATOM 0 H GLY A 54 -5.071 7.360 -7.416 1.00 72.42 H new ATOM 0 HA2 GLY A 54 -3.830 9.099 -5.910 1.00 61.41 H new ATOM 0 HA3 GLY A 54 -3.344 7.635 -5.078 1.00 61.41 H new ATOM 767 N PRO A 55 -1.920 8.938 -7.534 1.00 70.41 N ATOM 768 CA PRO A 55 -0.732 8.890 -8.437 1.00 3.54 C ATOM 769 C PRO A 55 0.491 8.335 -7.689 1.00 71.33 C ATOM 770 O PRO A 55 1.547 8.072 -8.262 1.00 0.33 O ATOM 771 CB PRO A 55 -0.499 10.367 -8.806 1.00 55.31 C ATOM 772 CG PRO A 55 -1.773 11.058 -8.467 1.00 54.41 C ATOM 773 CD PRO A 55 -2.330 10.332 -7.284 1.00 11.22 C ATOM 0 HA PRO A 55 -0.886 8.248 -9.305 1.00 3.54 H new ATOM 0 HB2 PRO A 55 0.337 10.786 -8.246 1.00 55.31 H new ATOM 0 HB3 PRO A 55 -0.261 10.476 -9.864 1.00 55.31 H new ATOM 0 HG2 PRO A 55 -1.598 12.108 -8.234 1.00 54.41 H new ATOM 0 HG3 PRO A 55 -2.468 11.029 -9.306 1.00 54.41 H new ATOM 0 HD2 PRO A 55 -1.922 10.712 -6.347 1.00 11.22 H new ATOM 0 HD3 PRO A 55 -3.414 10.430 -7.223 1.00 11.22 H new ATOM 781 N ASN A 56 0.302 8.196 -6.387 1.00 2.45 N ATOM 782 CA ASN A 56 1.250 7.643 -5.415 1.00 62.45 C ATOM 783 C ASN A 56 1.784 6.279 -5.874 1.00 72.13 C ATOM 784 O ASN A 56 2.865 5.869 -5.473 1.00 60.45 O ATOM 785 CB ASN A 56 0.528 7.452 -4.056 1.00 11.01 C ATOM 786 CG ASN A 56 -0.037 8.742 -3.462 1.00 61.41 C ATOM 787 OD1 ASN A 56 -0.378 9.670 -4.175 1.00 70.14 O ATOM 788 ND2 ASN A 56 -0.177 8.793 -2.163 1.00 33.31 N ATOM 0 H ASN A 56 -0.572 8.483 -5.946 1.00 2.45 H new ATOM 0 HA ASN A 56 2.086 8.337 -5.321 1.00 62.45 H new ATOM 0 HB2 ASN A 56 -0.285 6.738 -4.186 1.00 11.01 H new ATOM 0 HB3 ASN A 56 1.227 7.013 -3.344 1.00 11.01 H new ATOM 0 HD21 ASN A 56 -0.579 9.622 -1.726 1.00 33.31 H new ATOM 0 HD22 ASN A 56 0.116 8.004 -1.587 1.00 33.31 H new ATOM 795 N ALA A 57 0.987 5.575 -6.684 1.00 32.13 N ATOM 796 CA ALA A 57 1.369 4.297 -7.277 1.00 73.12 C ATOM 797 C ALA A 57 0.387 3.938 -8.377 1.00 21.21 C ATOM 798 O ALA A 57 0.749 3.864 -9.548 1.00 23.31 O ATOM 799 CB ALA A 57 1.441 3.178 -6.238 1.00 64.12 C ATOM 0 H ALA A 57 0.051 5.882 -6.947 1.00 32.13 H new ATOM 0 HA ALA A 57 2.369 4.405 -7.696 1.00 73.12 H new ATOM 0 HB1 ALA A 57 1.729 2.247 -6.726 1.00 64.12 H new ATOM 0 HB2 ALA A 57 2.180 3.433 -5.479 1.00 64.12 H new ATOM 0 HB3 ALA A 57 0.465 3.055 -5.768 1.00 64.12 H new ATOM 805 N GLY A 58 -0.880 3.765 -7.990 1.00 30.45 N ATOM 806 CA GLY A 58 -1.927 3.398 -8.939 1.00 45.42 C ATOM 807 C GLY A 58 -1.650 2.060 -9.595 1.00 25.21 C ATOM 808 O GLY A 58 -1.795 1.905 -10.817 1.00 21.25 O ATOM 0 H GLY A 58 -1.202 3.874 -7.028 1.00 30.45 H new ATOM 0 HA2 GLY A 58 -2.887 3.358 -8.424 1.00 45.42 H new ATOM 0 HA3 GLY A 58 -2.009 4.168 -9.706 1.00 45.42 H new ATOM 812 N ALA A 59 -1.254 1.101 -8.792 1.00 50.31 N ATOM 813 CA ALA A 59 -0.874 -0.197 -9.268 1.00 34.14 C ATOM 814 C ALA A 59 -1.149 -1.215 -8.187 1.00 44.43 C ATOM 815 O ALA A 59 -1.758 -0.876 -7.151 1.00 3.01 O ATOM 816 CB ALA A 59 0.604 -0.199 -9.630 1.00 74.43 C ATOM 0 H ALA A 59 -1.188 1.207 -7.780 1.00 50.31 H new ATOM 0 HA ALA A 59 -1.450 -0.450 -10.158 1.00 34.14 H new ATOM 0 HB1 ALA A 59 0.889 -1.187 -9.991 1.00 74.43 H new ATOM 0 HB2 ALA A 59 0.789 0.540 -10.410 1.00 74.43 H new ATOM 0 HB3 ALA A 59 1.195 0.049 -8.748 1.00 74.43 H new ATOM 822 N ARG A 60 -0.697 -2.426 -8.409 1.00 12.45 N ATOM 823 CA ARG A 60 -0.873 -3.506 -7.474 1.00 44.42 C ATOM 824 C ARG A 60 0.486 -4.020 -7.044 1.00 50.35 C ATOM 825 O ARG A 60 1.399 -4.136 -7.870 1.00 45.30 O ATOM 826 CB ARG A 60 -1.695 -4.640 -8.103 1.00 1.02 C ATOM 827 CG ARG A 60 -1.114 -5.217 -9.394 1.00 53.15 C ATOM 828 CD ARG A 60 -1.875 -6.449 -9.847 1.00 50.31 C ATOM 829 NE ARG A 60 -1.399 -6.960 -11.142 1.00 44.13 N ATOM 830 CZ ARG A 60 -1.144 -8.247 -11.435 1.00 60.44 C ATOM 831 NH1 ARG A 60 -1.184 -9.185 -10.487 1.00 44.14 N ATOM 832 NH2 ARG A 60 -0.840 -8.583 -12.680 1.00 62.43 N ATOM 0 H ARG A 60 -0.191 -2.690 -9.254 1.00 12.45 H new ATOM 0 HA ARG A 60 -1.416 -3.138 -6.603 1.00 44.42 H new ATOM 0 HB2 ARG A 60 -1.793 -5.445 -7.375 1.00 1.02 H new ATOM 0 HB3 ARG A 60 -2.700 -4.270 -8.307 1.00 1.02 H new ATOM 0 HG2 ARG A 60 -1.146 -4.460 -10.178 1.00 53.15 H new ATOM 0 HG3 ARG A 60 -0.066 -5.472 -9.240 1.00 53.15 H new ATOM 0 HD2 ARG A 60 -1.777 -7.230 -9.093 1.00 50.31 H new ATOM 0 HD3 ARG A 60 -2.936 -6.210 -9.922 1.00 50.31 H new ATOM 0 HE ARG A 60 -1.249 -6.276 -11.884 1.00 44.13 H new ATOM 0 HH11 ARG A 60 -1.410 -8.929 -9.526 1.00 44.14 H new ATOM 0 HH12 ARG A 60 -0.988 -10.158 -10.723 1.00 44.14 H new ATOM 0 HH21 ARG A 60 -0.801 -7.868 -13.406 1.00 62.43 H new ATOM 0 HH22 ARG A 60 -0.645 -9.557 -12.912 1.00 62.43 H new ATOM 846 N PHE A 61 0.638 -4.305 -5.787 1.00 73.43 N ATOM 847 CA PHE A 61 1.891 -4.813 -5.288 1.00 32.41 C ATOM 848 C PHE A 61 1.659 -5.931 -4.283 1.00 62.40 C ATOM 849 O PHE A 61 0.847 -5.795 -3.355 1.00 72.24 O ATOM 850 CB PHE A 61 2.733 -3.676 -4.674 1.00 30.43 C ATOM 851 CG PHE A 61 4.064 -4.111 -4.118 1.00 15.45 C ATOM 852 CD1 PHE A 61 5.091 -4.483 -4.964 1.00 52.25 C ATOM 853 CD2 PHE A 61 4.280 -4.156 -2.747 1.00 23.32 C ATOM 854 CE1 PHE A 61 6.305 -4.893 -4.461 1.00 51.13 C ATOM 855 CE2 PHE A 61 5.495 -4.567 -2.238 1.00 24.44 C ATOM 856 CZ PHE A 61 6.508 -4.935 -3.096 1.00 13.35 C ATOM 0 H PHE A 61 -0.090 -4.196 -5.081 1.00 73.43 H new ATOM 0 HA PHE A 61 2.450 -5.230 -6.125 1.00 32.41 H new ATOM 0 HB2 PHE A 61 2.903 -2.916 -5.436 1.00 30.43 H new ATOM 0 HB3 PHE A 61 2.158 -3.205 -3.877 1.00 30.43 H new ATOM 0 HD1 PHE A 61 4.940 -4.452 -6.033 1.00 52.25 H new ATOM 0 HD2 PHE A 61 3.489 -3.866 -2.072 1.00 23.32 H new ATOM 0 HE1 PHE A 61 7.099 -5.182 -5.134 1.00 51.13 H new ATOM 0 HE2 PHE A 61 5.651 -4.600 -1.170 1.00 24.44 H new ATOM 0 HZ PHE A 61 7.461 -5.256 -2.701 1.00 13.35 H new ATOM 866 N LEU A 62 2.337 -7.035 -4.497 1.00 74.45 N ATOM 867 CA LEU A 62 2.293 -8.167 -3.601 1.00 44.53 C ATOM 868 C LEU A 62 3.420 -8.000 -2.599 1.00 14.25 C ATOM 869 O LEU A 62 4.554 -7.730 -2.987 1.00 54.13 O ATOM 870 CB LEU A 62 2.465 -9.476 -4.397 1.00 33.34 C ATOM 871 CG LEU A 62 2.450 -10.787 -3.593 1.00 74.34 C ATOM 872 CD1 LEU A 62 1.114 -10.991 -2.893 1.00 74.23 C ATOM 873 CD2 LEU A 62 2.758 -11.967 -4.499 1.00 21.22 C ATOM 0 H LEU A 62 2.941 -7.174 -5.307 1.00 74.45 H new ATOM 0 HA LEU A 62 1.334 -8.215 -3.085 1.00 44.53 H new ATOM 0 HB2 LEU A 62 1.671 -9.526 -5.143 1.00 33.34 H new ATOM 0 HB3 LEU A 62 3.409 -9.422 -4.939 1.00 33.34 H new ATOM 0 HG LEU A 62 3.223 -10.719 -2.827 1.00 74.34 H new ATOM 0 HD11 LEU A 62 1.135 -11.926 -2.333 1.00 74.23 H new ATOM 0 HD12 LEU A 62 0.932 -10.163 -2.208 1.00 74.23 H new ATOM 0 HD13 LEU A 62 0.317 -11.031 -3.635 1.00 74.23 H new ATOM 0 HD21 LEU A 62 2.744 -12.887 -3.915 1.00 21.22 H new ATOM 0 HD22 LEU A 62 2.008 -12.026 -5.288 1.00 21.22 H new ATOM 0 HD23 LEU A 62 3.744 -11.836 -4.945 1.00 21.22 H new ATOM 885 N LEU A 63 3.111 -8.118 -1.332 1.00 72.10 N ATOM 886 CA LEU A 63 4.100 -7.906 -0.296 1.00 35.41 C ATOM 887 C LEU A 63 5.121 -9.026 -0.212 1.00 4.13 C ATOM 888 O LEU A 63 4.779 -10.186 0.010 1.00 13.54 O ATOM 889 CB LEU A 63 3.447 -7.686 1.066 1.00 24.05 C ATOM 890 CG LEU A 63 2.602 -6.425 1.226 1.00 43.24 C ATOM 891 CD1 LEU A 63 2.054 -6.354 2.629 1.00 60.40 C ATOM 892 CD2 LEU A 63 3.422 -5.177 0.920 1.00 21.54 C ATOM 0 H LEU A 63 2.181 -8.360 -0.989 1.00 72.10 H new ATOM 0 HA LEU A 63 4.636 -7.000 -0.580 1.00 35.41 H new ATOM 0 HB2 LEU A 63 2.816 -8.548 1.284 1.00 24.05 H new ATOM 0 HB3 LEU A 63 4.233 -7.667 1.821 1.00 24.05 H new ATOM 0 HG LEU A 63 1.776 -6.470 0.517 1.00 43.24 H new ATOM 0 HD11 LEU A 63 1.451 -5.452 2.739 1.00 60.40 H new ATOM 0 HD12 LEU A 63 1.435 -7.230 2.823 1.00 60.40 H new ATOM 0 HD13 LEU A 63 2.879 -6.328 3.341 1.00 60.40 H new ATOM 0 HD21 LEU A 63 2.797 -4.292 1.041 1.00 21.54 H new ATOM 0 HD22 LEU A 63 4.268 -5.120 1.605 1.00 21.54 H new ATOM 0 HD23 LEU A 63 3.788 -5.225 -0.106 1.00 21.54 H new ATOM 904 N ASP A 64 6.361 -8.656 -0.404 1.00 14.24 N ATOM 905 CA ASP A 64 7.496 -9.558 -0.279 1.00 43.24 C ATOM 906 C ASP A 64 8.707 -8.819 0.255 1.00 4.33 C ATOM 907 O ASP A 64 9.463 -9.363 1.069 1.00 73.35 O ATOM 908 CB ASP A 64 7.825 -10.334 -1.584 1.00 71.34 C ATOM 909 CG ASP A 64 7.918 -9.489 -2.849 1.00 53.23 C ATOM 910 OD1 ASP A 64 8.592 -8.445 -2.863 1.00 4.52 O ATOM 911 OD2 ASP A 64 7.339 -9.903 -3.881 1.00 51.43 O ATOM 0 H ASP A 64 6.624 -7.703 -0.657 1.00 14.24 H new ATOM 0 HA ASP A 64 7.206 -10.322 0.442 1.00 43.24 H new ATOM 0 HB2 ASP A 64 8.773 -10.855 -1.446 1.00 71.34 H new ATOM 0 HB3 ASP A 64 7.061 -11.097 -1.734 1.00 71.34 H new ATOM 916 N GLN A 65 8.889 -7.595 -0.226 1.00 45.43 N ATOM 917 CA GLN A 65 9.920 -6.675 0.254 1.00 5.54 C ATOM 918 C GLN A 65 9.703 -6.361 1.733 1.00 31.21 C ATOM 919 O GLN A 65 8.712 -5.716 2.070 1.00 23.13 O ATOM 920 CB GLN A 65 9.861 -5.373 -0.546 1.00 12.54 C ATOM 921 CG GLN A 65 10.137 -5.555 -2.021 1.00 3.23 C ATOM 922 CD GLN A 65 10.026 -4.279 -2.843 1.00 15.25 C ATOM 923 OE1 GLN A 65 9.673 -4.323 -4.025 1.00 71.11 O ATOM 924 NE2 GLN A 65 10.339 -3.157 -2.257 1.00 74.41 N ATOM 0 H GLN A 65 8.316 -7.205 -0.974 1.00 45.43 H new ATOM 0 HA GLN A 65 10.894 -7.146 0.125 1.00 5.54 H new ATOM 0 HB2 GLN A 65 8.875 -4.925 -0.422 1.00 12.54 H new ATOM 0 HB3 GLN A 65 10.585 -4.670 -0.134 1.00 12.54 H new ATOM 0 HG2 GLN A 65 11.139 -5.965 -2.143 1.00 3.23 H new ATOM 0 HG3 GLN A 65 9.440 -6.292 -2.420 1.00 3.23 H new ATOM 0 HE21 GLN A 65 10.627 -3.156 -1.278 1.00 74.41 H new ATOM 0 HE22 GLN A 65 10.296 -2.281 -2.777 1.00 74.41 H new ATOM 933 N PRO A 66 10.636 -6.793 2.624 1.00 60.12 N ATOM 934 CA PRO A 66 10.490 -6.630 4.079 1.00 53.02 C ATOM 935 C PRO A 66 10.221 -5.187 4.500 1.00 40.24 C ATOM 936 O PRO A 66 9.372 -4.926 5.366 1.00 24.51 O ATOM 937 CB PRO A 66 11.819 -7.132 4.668 1.00 20.45 C ATOM 938 CG PRO A 66 12.743 -7.312 3.508 1.00 71.00 C ATOM 939 CD PRO A 66 11.893 -7.483 2.282 1.00 4.53 C ATOM 0 HA PRO A 66 9.626 -7.187 4.441 1.00 53.02 H new ATOM 0 HB2 PRO A 66 12.225 -6.415 5.382 1.00 20.45 H new ATOM 0 HB3 PRO A 66 11.678 -8.071 5.204 1.00 20.45 H new ATOM 0 HG2 PRO A 66 13.400 -6.449 3.403 1.00 71.00 H new ATOM 0 HG3 PRO A 66 13.382 -8.182 3.657 1.00 71.00 H new ATOM 0 HD2 PRO A 66 12.365 -7.042 1.404 1.00 4.53 H new ATOM 0 HD3 PRO A 66 11.723 -8.536 2.057 1.00 4.53 H new ATOM 947 N THR A 67 10.906 -4.261 3.882 1.00 14.24 N ATOM 948 CA THR A 67 10.695 -2.885 4.177 1.00 32.32 C ATOM 949 C THR A 67 10.243 -2.153 2.923 1.00 44.14 C ATOM 950 O THR A 67 11.025 -1.942 1.986 1.00 44.42 O ATOM 951 CB THR A 67 11.963 -2.206 4.753 1.00 11.11 C ATOM 952 OG1 THR A 67 12.428 -2.926 5.904 1.00 72.03 O ATOM 953 CG2 THR A 67 11.654 -0.772 5.166 1.00 51.31 C ATOM 0 H THR A 67 11.614 -4.444 3.171 1.00 14.24 H new ATOM 0 HA THR A 67 9.920 -2.830 4.941 1.00 32.32 H new ATOM 0 HB THR A 67 12.731 -2.207 3.980 1.00 11.11 H new ATOM 0 HG1 THR A 67 13.231 -2.491 6.260 1.00 72.03 H new ATOM 0 HG21 THR A 67 12.554 -0.307 5.569 1.00 51.31 H new ATOM 0 HG22 THR A 67 11.313 -0.209 4.298 1.00 51.31 H new ATOM 0 HG23 THR A 67 10.874 -0.773 5.927 1.00 51.31 H new ATOM 961 N THR A 68 8.989 -1.826 2.877 1.00 34.02 N ATOM 962 CA THR A 68 8.472 -1.044 1.804 1.00 61.54 C ATOM 963 C THR A 68 8.195 0.362 2.357 1.00 14.11 C ATOM 964 O THR A 68 7.367 0.547 3.247 1.00 12.54 O ATOM 965 CB THR A 68 7.189 -1.689 1.225 1.00 51.34 C ATOM 966 OG1 THR A 68 7.471 -3.056 0.860 1.00 25.15 O ATOM 967 CG2 THR A 68 6.707 -0.933 -0.009 1.00 52.25 C ATOM 0 H THR A 68 8.300 -2.093 3.580 1.00 34.02 H new ATOM 0 HA THR A 68 9.188 -0.988 0.984 1.00 61.54 H new ATOM 0 HB THR A 68 6.408 -1.650 1.984 1.00 51.34 H new ATOM 0 HG1 THR A 68 6.662 -3.471 0.494 1.00 25.15 H new ATOM 0 HG21 THR A 68 5.805 -1.406 -0.396 1.00 52.25 H new ATOM 0 HG22 THR A 68 6.488 0.100 0.260 1.00 52.25 H new ATOM 0 HG23 THR A 68 7.483 -0.952 -0.774 1.00 52.25 H new ATOM 975 N THR A 69 8.927 1.312 1.880 1.00 14.22 N ATOM 976 CA THR A 69 8.843 2.658 2.359 1.00 30.52 C ATOM 977 C THR A 69 7.968 3.535 1.473 1.00 43.53 C ATOM 978 O THR A 69 8.078 3.503 0.234 1.00 32.13 O ATOM 979 CB THR A 69 10.253 3.224 2.422 1.00 3.42 C ATOM 980 OG1 THR A 69 10.980 2.693 1.302 1.00 71.04 O ATOM 981 CG2 THR A 69 10.946 2.833 3.718 1.00 25.34 C ATOM 0 H THR A 69 9.611 1.177 1.136 1.00 14.22 H new ATOM 0 HA THR A 69 8.379 2.650 3.345 1.00 30.52 H new ATOM 0 HB THR A 69 10.216 4.313 2.388 1.00 3.42 H new ATOM 0 HG1 THR A 69 11.857 3.127 1.246 1.00 71.04 H new ATOM 0 HG21 THR A 69 11.952 3.252 3.734 1.00 25.34 H new ATOM 0 HG22 THR A 69 10.379 3.219 4.565 1.00 25.34 H new ATOM 0 HG23 THR A 69 11.005 1.747 3.786 1.00 25.34 H new ATOM 989 N ALA A 70 7.097 4.290 2.105 1.00 53.20 N ATOM 990 CA ALA A 70 6.253 5.228 1.427 1.00 53.12 C ATOM 991 C ALA A 70 6.613 6.633 1.872 1.00 72.52 C ATOM 992 O ALA A 70 6.570 6.958 3.079 1.00 22.23 O ATOM 993 CB ALA A 70 4.795 4.936 1.721 1.00 53.53 C ATOM 0 H ALA A 70 6.959 4.264 3.115 1.00 53.20 H new ATOM 0 HA ALA A 70 6.405 5.140 0.351 1.00 53.12 H new ATOM 0 HB1 ALA A 70 4.167 5.658 1.199 1.00 53.53 H new ATOM 0 HB2 ALA A 70 4.550 3.929 1.382 1.00 53.53 H new ATOM 0 HB3 ALA A 70 4.618 5.011 2.794 1.00 53.53 H new ATOM 999 N GLY A 71 7.005 7.442 0.933 1.00 33.54 N ATOM 1000 CA GLY A 71 7.349 8.792 1.219 1.00 73.50 C ATOM 1001 C GLY A 71 8.039 9.403 0.047 1.00 40.31 C ATOM 1002 O GLY A 71 7.899 8.911 -1.076 1.00 41.42 O ATOM 0 H GLY A 71 7.093 7.180 -0.049 1.00 33.54 H new ATOM 0 HA2 GLY A 71 6.451 9.361 1.460 1.00 73.50 H new ATOM 0 HA3 GLY A 71 7.997 8.833 2.095 1.00 73.50 H new ATOM 1006 N ARG A 72 8.750 10.469 0.279 1.00 44.22 N ATOM 1007 CA ARG A 72 9.548 11.066 -0.753 1.00 30.23 C ATOM 1008 C ARG A 72 10.943 11.351 -0.214 1.00 3.35 C ATOM 1009 O ARG A 72 11.186 12.385 0.390 1.00 62.22 O ATOM 1010 CB ARG A 72 8.901 12.343 -1.339 1.00 34.30 C ATOM 1011 CG ARG A 72 9.718 12.968 -2.473 1.00 0.13 C ATOM 1012 CD ARG A 72 9.818 12.020 -3.662 1.00 1.21 C ATOM 1013 NE ARG A 72 10.874 12.401 -4.606 1.00 50.42 N ATOM 1014 CZ ARG A 72 11.026 11.877 -5.838 1.00 2.22 C ATOM 1015 NH1 ARG A 72 10.043 11.176 -6.398 1.00 2.21 N ATOM 1016 NH2 ARG A 72 12.134 12.117 -6.535 1.00 43.14 N ATOM 0 H ARG A 72 8.793 10.945 1.180 1.00 44.22 H new ATOM 0 HA ARG A 72 9.617 10.357 -1.578 1.00 30.23 H new ATOM 0 HB2 ARG A 72 7.905 12.101 -1.709 1.00 34.30 H new ATOM 0 HB3 ARG A 72 8.776 13.077 -0.543 1.00 34.30 H new ATOM 0 HG2 ARG A 72 9.254 13.903 -2.787 1.00 0.13 H new ATOM 0 HG3 ARG A 72 10.718 13.213 -2.114 1.00 0.13 H new ATOM 0 HD2 ARG A 72 10.008 11.010 -3.300 1.00 1.21 H new ATOM 0 HD3 ARG A 72 8.861 11.997 -4.184 1.00 1.21 H new ATOM 0 HE ARG A 72 11.541 13.113 -4.309 1.00 50.42 H new ATOM 0 HH11 ARG A 72 9.168 11.033 -5.894 1.00 2.21 H new ATOM 0 HH12 ARG A 72 10.165 10.782 -7.331 1.00 2.21 H new ATOM 0 HH21 ARG A 72 12.871 12.699 -6.137 1.00 43.14 H new ATOM 0 HH22 ARG A 72 12.246 11.719 -7.467 1.00 43.14 H new ATOM 1030 N HIS A 73 11.810 10.387 -0.351 1.00 42.33 N ATOM 1031 CA HIS A 73 13.197 10.488 0.057 1.00 30.00 C ATOM 1032 C HIS A 73 13.977 9.383 -0.666 1.00 25.34 C ATOM 1033 O HIS A 73 13.344 8.493 -1.232 1.00 61.00 O ATOM 1034 CB HIS A 73 13.352 10.457 1.630 1.00 13.11 C ATOM 1035 CG HIS A 73 12.738 9.304 2.358 1.00 2.35 C ATOM 1036 ND1 HIS A 73 13.451 8.397 3.106 1.00 10.02 N ATOM 1037 CD2 HIS A 73 11.446 8.955 2.491 1.00 51.34 C ATOM 1038 CE1 HIS A 73 12.584 7.543 3.656 1.00 63.52 C ATOM 1039 NE2 HIS A 73 11.346 7.844 3.309 1.00 35.13 N ATOM 0 H HIS A 73 11.573 9.483 -0.759 1.00 42.33 H new ATOM 0 HA HIS A 73 13.614 11.453 -0.231 1.00 30.00 H new ATOM 0 HB2 HIS A 73 14.416 10.475 1.864 1.00 13.11 H new ATOM 0 HB3 HIS A 73 12.922 11.375 2.029 1.00 13.11 H new ATOM 0 HD2 HIS A 73 10.613 9.465 2.029 1.00 51.34 H new ATOM 0 HE1 HIS A 73 12.858 6.718 4.297 1.00 63.52 H new ATOM 0 HE2 HIS A 73 10.493 7.358 3.586 1.00 35.13 H new ATOM 1047 N PRO A 74 15.335 9.423 -0.696 1.00 21.32 N ATOM 1048 CA PRO A 74 16.162 8.447 -1.445 1.00 52.03 C ATOM 1049 C PRO A 74 15.799 6.964 -1.236 1.00 20.54 C ATOM 1050 O PRO A 74 15.854 6.170 -2.185 1.00 21.34 O ATOM 1051 CB PRO A 74 17.595 8.707 -0.926 1.00 21.41 C ATOM 1052 CG PRO A 74 17.448 9.700 0.185 1.00 13.15 C ATOM 1053 CD PRO A 74 16.201 10.463 -0.115 1.00 72.33 C ATOM 0 HA PRO A 74 16.016 8.596 -2.515 1.00 52.03 H new ATOM 0 HB2 PRO A 74 18.056 7.786 -0.570 1.00 21.41 H new ATOM 0 HB3 PRO A 74 18.234 9.097 -1.718 1.00 21.41 H new ATOM 0 HG2 PRO A 74 17.377 9.199 1.151 1.00 13.15 H new ATOM 0 HG3 PRO A 74 18.311 10.364 0.233 1.00 13.15 H new ATOM 0 HD2 PRO A 74 15.765 10.901 0.783 1.00 72.33 H new ATOM 0 HD3 PRO A 74 16.381 11.280 -0.813 1.00 72.33 H new ATOM 1061 N GLU A 75 15.389 6.585 -0.041 1.00 34.14 N ATOM 1062 CA GLU A 75 15.133 5.180 0.207 1.00 62.03 C ATOM 1063 C GLU A 75 13.647 4.805 0.128 1.00 1.21 C ATOM 1064 O GLU A 75 13.268 3.721 0.574 1.00 35.55 O ATOM 1065 CB GLU A 75 15.750 4.712 1.525 1.00 61.43 C ATOM 1066 CG GLU A 75 15.154 5.318 2.771 1.00 24.42 C ATOM 1067 CD GLU A 75 15.839 4.825 4.015 1.00 51.41 C ATOM 1068 OE1 GLU A 75 15.486 3.745 4.524 1.00 12.01 O ATOM 1069 OE2 GLU A 75 16.753 5.512 4.508 1.00 0.05 O ATOM 0 H GLU A 75 15.230 7.208 0.751 1.00 34.14 H new ATOM 0 HA GLU A 75 15.626 4.648 -0.606 1.00 62.03 H new ATOM 0 HB2 GLU A 75 15.653 3.628 1.587 1.00 61.43 H new ATOM 0 HB3 GLU A 75 16.817 4.936 1.507 1.00 61.43 H new ATOM 0 HG2 GLU A 75 15.231 6.404 2.720 1.00 24.42 H new ATOM 0 HG3 GLU A 75 14.092 5.076 2.821 1.00 24.42 H new ATOM 1076 N SER A 76 12.818 5.675 -0.429 1.00 0.05 N ATOM 1077 CA SER A 76 11.409 5.354 -0.616 1.00 10.13 C ATOM 1078 C SER A 76 11.260 4.349 -1.745 1.00 13.31 C ATOM 1079 O SER A 76 11.877 4.509 -2.797 1.00 73.50 O ATOM 1080 CB SER A 76 10.622 6.608 -0.973 1.00 10.14 C ATOM 1081 OG SER A 76 10.814 7.607 -0.005 1.00 75.34 O ATOM 0 H SER A 76 13.092 6.601 -0.757 1.00 0.05 H new ATOM 0 HA SER A 76 11.024 4.936 0.314 1.00 10.13 H new ATOM 0 HB2 SER A 76 10.937 6.976 -1.950 1.00 10.14 H new ATOM 0 HB3 SER A 76 9.561 6.368 -1.050 1.00 10.14 H new ATOM 0 HG SER A 76 10.047 7.623 0.605 1.00 75.34 H new ATOM 1087 N ASP A 77 10.479 3.316 -1.529 1.00 70.41 N ATOM 1088 CA ASP A 77 10.240 2.363 -2.588 1.00 22.32 C ATOM 1089 C ASP A 77 9.199 2.926 -3.506 1.00 32.31 C ATOM 1090 O ASP A 77 9.437 3.100 -4.693 1.00 72.31 O ATOM 1091 CB ASP A 77 9.792 0.997 -2.075 1.00 61.42 C ATOM 1092 CG ASP A 77 9.682 -0.012 -3.211 1.00 22.03 C ATOM 1093 OD1 ASP A 77 8.616 -0.141 -3.823 1.00 62.22 O ATOM 1094 OD2 ASP A 77 10.690 -0.703 -3.499 1.00 22.02 O ATOM 0 H ASP A 77 10.006 3.116 -0.648 1.00 70.41 H new ATOM 0 HA ASP A 77 11.183 2.202 -3.111 1.00 22.32 H new ATOM 0 HB2 ASP A 77 10.502 0.635 -1.331 1.00 61.42 H new ATOM 0 HB3 ASP A 77 8.828 1.092 -1.576 1.00 61.42 H new ATOM 1099 N ILE A 78 8.060 3.262 -2.943 1.00 44.53 N ATOM 1100 CA ILE A 78 7.002 3.860 -3.706 1.00 22.12 C ATOM 1101 C ILE A 78 7.049 5.363 -3.526 1.00 24.02 C ATOM 1102 O ILE A 78 7.228 5.868 -2.400 1.00 22.00 O ATOM 1103 CB ILE A 78 5.586 3.300 -3.350 1.00 14.44 C ATOM 1104 CG1 ILE A 78 5.264 3.450 -1.852 1.00 12.34 C ATOM 1105 CG2 ILE A 78 5.461 1.844 -3.789 1.00 24.12 C ATOM 1106 CD1 ILE A 78 3.867 2.990 -1.470 1.00 4.10 C ATOM 0 H ILE A 78 7.848 3.128 -1.954 1.00 44.53 H new ATOM 0 HA ILE A 78 7.165 3.601 -4.752 1.00 22.12 H new ATOM 0 HB ILE A 78 4.853 3.895 -3.896 1.00 14.44 H new ATOM 0 HG12 ILE A 78 5.993 2.880 -1.276 1.00 12.34 H new ATOM 0 HG13 ILE A 78 5.381 4.496 -1.569 1.00 12.34 H new ATOM 0 HG21 ILE A 78 4.469 1.471 -3.533 1.00 24.12 H new ATOM 0 HG22 ILE A 78 5.608 1.775 -4.867 1.00 24.12 H new ATOM 0 HG23 ILE A 78 6.216 1.245 -3.281 1.00 24.12 H new ATOM 0 HD11 ILE A 78 3.719 3.128 -0.399 1.00 4.10 H new ATOM 0 HD12 ILE A 78 3.129 3.576 -2.017 1.00 4.10 H new ATOM 0 HD13 ILE A 78 3.750 1.935 -1.719 1.00 4.10 H new ATOM 1118 N PHE A 79 6.929 6.071 -4.607 1.00 20.31 N ATOM 1119 CA PHE A 79 7.013 7.497 -4.569 1.00 14.31 C ATOM 1120 C PHE A 79 5.643 8.111 -4.704 1.00 52.31 C ATOM 1121 O PHE A 79 4.963 7.962 -5.720 1.00 42.15 O ATOM 1122 CB PHE A 79 7.968 8.015 -5.645 1.00 45.00 C ATOM 1123 CG PHE A 79 9.398 7.588 -5.441 1.00 21.34 C ATOM 1124 CD1 PHE A 79 10.233 8.317 -4.612 1.00 14.33 C ATOM 1125 CD2 PHE A 79 9.903 6.470 -6.078 1.00 73.03 C ATOM 1126 CE1 PHE A 79 11.546 7.944 -4.421 1.00 72.43 C ATOM 1127 CE2 PHE A 79 11.215 6.087 -5.891 1.00 11.30 C ATOM 1128 CZ PHE A 79 12.038 6.827 -5.061 1.00 63.11 C ATOM 0 H PHE A 79 6.771 5.679 -5.535 1.00 20.31 H new ATOM 0 HA PHE A 79 7.418 7.794 -3.602 1.00 14.31 H new ATOM 0 HB2 PHE A 79 7.629 7.664 -6.619 1.00 45.00 H new ATOM 0 HB3 PHE A 79 7.922 9.104 -5.665 1.00 45.00 H new ATOM 0 HD1 PHE A 79 9.850 9.191 -4.107 1.00 14.33 H new ATOM 0 HD2 PHE A 79 9.264 5.891 -6.728 1.00 73.03 H new ATOM 0 HE1 PHE A 79 12.186 8.524 -3.773 1.00 72.43 H new ATOM 0 HE2 PHE A 79 11.599 5.211 -6.392 1.00 11.30 H new ATOM 0 HZ PHE A 79 13.066 6.529 -4.915 1.00 63.11 H new ATOM 1138 N LEU A 80 5.250 8.798 -3.675 1.00 11.30 N ATOM 1139 CA LEU A 80 3.969 9.412 -3.603 1.00 31.34 C ATOM 1140 C LEU A 80 3.960 10.738 -4.328 1.00 72.21 C ATOM 1141 O LEU A 80 4.562 11.723 -3.862 1.00 4.31 O ATOM 1142 CB LEU A 80 3.497 9.586 -2.137 1.00 15.35 C ATOM 1143 CG LEU A 80 3.089 8.307 -1.353 1.00 72.31 C ATOM 1144 CD1 LEU A 80 4.243 7.341 -1.162 1.00 74.52 C ATOM 1145 CD2 LEU A 80 2.477 8.672 -0.008 1.00 70.22 C ATOM 0 H LEU A 80 5.827 8.948 -2.847 1.00 11.30 H new ATOM 0 HA LEU A 80 3.264 8.745 -4.099 1.00 31.34 H new ATOM 0 HB2 LEU A 80 4.297 10.078 -1.583 1.00 15.35 H new ATOM 0 HB3 LEU A 80 2.645 10.265 -2.137 1.00 15.35 H new ATOM 0 HG LEU A 80 2.342 7.795 -1.960 1.00 72.31 H new ATOM 0 HD11 LEU A 80 3.898 6.467 -0.608 1.00 74.52 H new ATOM 0 HD12 LEU A 80 4.620 7.028 -2.135 1.00 74.52 H new ATOM 0 HD13 LEU A 80 5.040 7.832 -0.605 1.00 74.52 H new ATOM 0 HD21 LEU A 80 2.199 7.762 0.524 1.00 70.22 H new ATOM 0 HD22 LEU A 80 3.203 9.230 0.583 1.00 70.22 H new ATOM 0 HD23 LEU A 80 1.590 9.285 -0.166 1.00 70.22 H new ATOM 1157 N ASP A 81 3.328 10.775 -5.487 1.00 12.34 N ATOM 1158 CA ASP A 81 3.206 12.021 -6.222 1.00 75.34 C ATOM 1159 C ASP A 81 2.007 12.797 -5.718 1.00 10.54 C ATOM 1160 O ASP A 81 0.947 12.841 -6.332 1.00 43.31 O ATOM 1161 CB ASP A 81 3.145 11.821 -7.748 1.00 41.42 C ATOM 1162 CG ASP A 81 3.161 13.144 -8.511 1.00 12.42 C ATOM 1163 OD1 ASP A 81 4.247 13.748 -8.636 1.00 54.31 O ATOM 1164 OD2 ASP A 81 2.099 13.606 -9.004 1.00 4.40 O ATOM 0 H ASP A 81 2.896 9.967 -5.936 1.00 12.34 H new ATOM 0 HA ASP A 81 4.112 12.598 -6.038 1.00 75.34 H new ATOM 0 HB2 ASP A 81 3.991 11.212 -8.066 1.00 41.42 H new ATOM 0 HB3 ASP A 81 2.241 11.269 -8.003 1.00 41.42 H new ATOM 1169 N ASP A 82 2.152 13.269 -4.522 1.00 44.20 N ATOM 1170 CA ASP A 82 1.170 14.109 -3.863 1.00 21.41 C ATOM 1171 C ASP A 82 1.903 15.059 -2.934 1.00 70.32 C ATOM 1172 O ASP A 82 3.082 14.842 -2.641 1.00 13.30 O ATOM 1173 CB ASP A 82 0.135 13.260 -3.096 1.00 14.44 C ATOM 1174 CG ASP A 82 -0.889 14.106 -2.369 1.00 13.54 C ATOM 1175 OD1 ASP A 82 -1.635 14.866 -3.014 1.00 45.45 O ATOM 1176 OD2 ASP A 82 -0.897 14.092 -1.142 1.00 64.53 O ATOM 0 H ASP A 82 2.976 13.083 -3.950 1.00 44.20 H new ATOM 0 HA ASP A 82 0.615 14.680 -4.607 1.00 21.41 H new ATOM 0 HB2 ASP A 82 -0.376 12.598 -3.795 1.00 14.44 H new ATOM 0 HB3 ASP A 82 0.653 12.625 -2.377 1.00 14.44 H new ATOM 1181 N VAL A 83 1.246 16.099 -2.487 1.00 31.45 N ATOM 1182 CA VAL A 83 1.884 17.100 -1.660 1.00 63.32 C ATOM 1183 C VAL A 83 1.665 16.814 -0.147 1.00 51.42 C ATOM 1184 O VAL A 83 2.274 17.452 0.717 1.00 44.31 O ATOM 1185 CB VAL A 83 1.379 18.531 -2.044 1.00 54.35 C ATOM 1186 CG1 VAL A 83 -0.081 18.742 -1.677 1.00 45.40 C ATOM 1187 CG2 VAL A 83 2.268 19.630 -1.475 1.00 32.43 C ATOM 0 H VAL A 83 0.261 16.278 -2.682 1.00 31.45 H new ATOM 0 HA VAL A 83 2.957 17.054 -1.845 1.00 63.32 H new ATOM 0 HB VAL A 83 1.448 18.599 -3.130 1.00 54.35 H new ATOM 0 HG11 VAL A 83 -0.386 19.749 -1.962 1.00 45.40 H new ATOM 0 HG12 VAL A 83 -0.697 18.013 -2.203 1.00 45.40 H new ATOM 0 HG13 VAL A 83 -0.208 18.616 -0.602 1.00 45.40 H new ATOM 0 HG21 VAL A 83 1.876 20.604 -1.769 1.00 32.43 H new ATOM 0 HG22 VAL A 83 2.284 19.559 -0.387 1.00 32.43 H new ATOM 0 HG23 VAL A 83 3.281 19.515 -1.861 1.00 32.43 H new ATOM 1197 N THR A 84 0.849 15.826 0.172 1.00 35.12 N ATOM 1198 CA THR A 84 0.540 15.516 1.566 1.00 74.43 C ATOM 1199 C THR A 84 1.523 14.450 2.109 1.00 50.13 C ATOM 1200 O THR A 84 1.320 13.878 3.180 1.00 11.14 O ATOM 1201 CB THR A 84 -0.906 14.972 1.674 1.00 22.45 C ATOM 1202 OG1 THR A 84 -1.737 15.659 0.726 1.00 35.34 O ATOM 1203 CG2 THR A 84 -1.481 15.194 3.061 1.00 25.40 C ATOM 0 H THR A 84 0.387 15.223 -0.509 1.00 35.12 H new ATOM 0 HA THR A 84 0.636 16.428 2.154 1.00 74.43 H new ATOM 0 HB THR A 84 -0.880 13.901 1.472 1.00 22.45 H new ATOM 0 HG1 THR A 84 -1.814 15.123 -0.091 1.00 35.34 H new ATOM 0 HG21 THR A 84 -2.497 14.800 3.101 1.00 25.40 H new ATOM 0 HG22 THR A 84 -0.863 14.680 3.797 1.00 25.40 H new ATOM 0 HG23 THR A 84 -1.497 16.261 3.282 1.00 25.40 H new ATOM 1211 N VAL A 85 2.588 14.210 1.388 1.00 25.54 N ATOM 1212 CA VAL A 85 3.537 13.208 1.798 1.00 61.42 C ATOM 1213 C VAL A 85 4.782 13.843 2.421 1.00 70.34 C ATOM 1214 O VAL A 85 5.332 14.835 1.901 1.00 22.20 O ATOM 1215 CB VAL A 85 3.924 12.250 0.631 1.00 3.22 C ATOM 1216 CG1 VAL A 85 4.578 12.991 -0.520 1.00 42.05 C ATOM 1217 CG2 VAL A 85 4.820 11.136 1.124 1.00 23.50 C ATOM 0 H VAL A 85 2.819 14.692 0.519 1.00 25.54 H new ATOM 0 HA VAL A 85 3.046 12.603 2.561 1.00 61.42 H new ATOM 0 HB VAL A 85 2.999 11.813 0.254 1.00 3.22 H new ATOM 0 HG11 VAL A 85 4.831 12.285 -1.311 1.00 42.05 H new ATOM 0 HG12 VAL A 85 3.888 13.740 -0.909 1.00 42.05 H new ATOM 0 HG13 VAL A 85 5.485 13.482 -0.168 1.00 42.05 H new ATOM 0 HG21 VAL A 85 5.077 10.480 0.292 1.00 23.50 H new ATOM 0 HG22 VAL A 85 5.731 11.561 1.545 1.00 23.50 H new ATOM 0 HG23 VAL A 85 4.299 10.562 1.891 1.00 23.50 H new ATOM 1227 N SER A 86 5.183 13.319 3.533 1.00 51.42 N ATOM 1228 CA SER A 86 6.368 13.755 4.197 1.00 32.33 C ATOM 1229 C SER A 86 7.499 12.740 3.922 1.00 34.31 C ATOM 1230 O SER A 86 7.262 11.668 3.337 1.00 24.40 O ATOM 1231 CB SER A 86 6.074 13.837 5.698 1.00 0.31 C ATOM 1232 OG SER A 86 4.915 14.638 5.942 1.00 12.54 O ATOM 0 H SER A 86 4.690 12.566 4.012 1.00 51.42 H new ATOM 0 HA SER A 86 6.681 14.734 3.835 1.00 32.33 H new ATOM 0 HB2 SER A 86 5.921 12.835 6.099 1.00 0.31 H new ATOM 0 HB3 SER A 86 6.932 14.261 6.219 1.00 0.31 H new ATOM 0 HG SER A 86 4.742 14.678 6.906 1.00 12.54 H new ATOM 1238 N ARG A 87 8.710 13.082 4.285 1.00 64.41 N ATOM 1239 CA ARG A 87 9.805 12.148 4.193 1.00 11.43 C ATOM 1240 C ARG A 87 9.640 11.177 5.328 1.00 22.43 C ATOM 1241 O ARG A 87 9.372 11.609 6.450 1.00 44.02 O ATOM 1242 CB ARG A 87 11.131 12.876 4.296 1.00 22.21 C ATOM 1243 CG ARG A 87 11.350 13.867 3.178 1.00 22.44 C ATOM 1244 CD ARG A 87 12.619 14.650 3.380 1.00 71.43 C ATOM 1245 NE ARG A 87 12.561 15.459 4.589 1.00 72.34 N ATOM 1246 CZ ARG A 87 13.594 15.712 5.395 1.00 72.54 C ATOM 1247 NH1 ARG A 87 14.755 15.081 5.220 1.00 65.21 N ATOM 1248 NH2 ARG A 87 13.449 16.551 6.402 1.00 31.12 N ATOM 0 H ARG A 87 8.963 14.001 4.647 1.00 64.41 H new ATOM 0 HA ARG A 87 9.799 11.628 3.235 1.00 11.43 H new ATOM 0 HB2 ARG A 87 11.179 13.399 5.251 1.00 22.21 H new ATOM 0 HB3 ARG A 87 11.941 12.146 4.291 1.00 22.21 H new ATOM 0 HG2 ARG A 87 11.394 13.339 2.225 1.00 22.44 H new ATOM 0 HG3 ARG A 87 10.503 14.551 3.125 1.00 22.44 H new ATOM 0 HD2 ARG A 87 13.465 13.965 3.440 1.00 71.43 H new ATOM 0 HD3 ARG A 87 12.791 15.294 2.518 1.00 71.43 H new ATOM 0 HE ARG A 87 11.659 15.865 4.840 1.00 72.34 H new ATOM 0 HH11 ARG A 87 14.857 14.401 4.467 1.00 65.21 H new ATOM 0 HH12 ARG A 87 15.541 15.278 5.839 1.00 65.21 H new ATOM 0 HH21 ARG A 87 12.549 17.004 6.563 1.00 31.12 H new ATOM 0 HH22 ARG A 87 14.236 16.747 7.020 1.00 31.12 H new ATOM 1262 N ARG A 88 9.796 9.882 5.045 1.00 11.25 N ATOM 1263 CA ARG A 88 9.493 8.813 5.992 1.00 3.12 C ATOM 1264 C ARG A 88 8.103 8.986 6.587 1.00 52.32 C ATOM 1265 O ARG A 88 7.918 9.419 7.712 1.00 41.31 O ATOM 1266 CB ARG A 88 10.667 8.453 6.992 1.00 74.34 C ATOM 1267 CG ARG A 88 11.328 9.609 7.780 1.00 65.11 C ATOM 1268 CD ARG A 88 10.589 9.977 9.062 1.00 4.10 C ATOM 1269 NE ARG A 88 10.625 8.884 10.047 1.00 64.52 N ATOM 1270 CZ ARG A 88 10.320 9.002 11.351 1.00 40.11 C ATOM 1271 NH1 ARG A 88 9.955 10.173 11.850 1.00 44.25 N ATOM 1272 NH2 ARG A 88 10.387 7.938 12.153 1.00 4.54 N ATOM 0 H ARG A 88 10.139 9.546 4.145 1.00 11.25 H new ATOM 0 HA ARG A 88 9.439 7.881 5.429 1.00 3.12 H new ATOM 0 HB2 ARG A 88 10.282 7.733 7.714 1.00 74.34 H new ATOM 0 HB3 ARG A 88 11.447 7.947 6.423 1.00 74.34 H new ATOM 0 HG2 ARG A 88 12.352 9.329 8.029 1.00 65.11 H new ATOM 0 HG3 ARG A 88 11.385 10.488 7.139 1.00 65.11 H new ATOM 0 HD2 ARG A 88 11.036 10.872 9.495 1.00 4.10 H new ATOM 0 HD3 ARG A 88 9.553 10.221 8.827 1.00 4.10 H new ATOM 0 HE ARG A 88 10.904 7.962 9.713 1.00 64.52 H new ATOM 0 HH11 ARG A 88 9.904 10.992 11.244 1.00 44.25 H new ATOM 0 HH12 ARG A 88 9.725 10.256 12.840 1.00 44.25 H new ATOM 0 HH21 ARG A 88 10.670 7.033 11.777 1.00 4.54 H new ATOM 0 HH22 ARG A 88 10.155 8.029 13.142 1.00 4.54 H new ATOM 1286 N HIS A 89 7.127 8.732 5.741 1.00 51.15 N ATOM 1287 CA HIS A 89 5.746 8.969 6.060 1.00 43.33 C ATOM 1288 C HIS A 89 5.106 7.685 6.574 1.00 35.30 C ATOM 1289 O HIS A 89 4.642 7.608 7.719 1.00 72.21 O ATOM 1290 CB HIS A 89 5.028 9.496 4.794 1.00 34.11 C ATOM 1291 CG HIS A 89 3.621 9.983 5.001 1.00 21.15 C ATOM 1292 ND1 HIS A 89 3.316 11.320 4.969 1.00 11.12 N ATOM 1293 CD2 HIS A 89 2.491 9.278 5.207 1.00 40.22 C ATOM 1294 CE1 HIS A 89 2.006 11.392 5.158 1.00 12.02 C ATOM 1295 NE2 HIS A 89 1.468 10.181 5.310 1.00 54.51 N ATOM 0 H HIS A 89 7.277 8.352 4.806 1.00 51.15 H new ATOM 0 HA HIS A 89 5.659 9.717 6.848 1.00 43.33 H new ATOM 0 HB2 HIS A 89 5.618 10.312 4.376 1.00 34.11 H new ATOM 0 HB3 HIS A 89 5.012 8.700 4.049 1.00 34.11 H new ATOM 0 HD2 HIS A 89 2.408 8.203 5.277 1.00 40.22 H new ATOM 0 HE1 HIS A 89 1.445 12.315 5.185 1.00 12.02 H new ATOM 0 HE2 HIS A 89 0.484 9.969 5.472 1.00 54.51 H new ATOM 1303 N ALA A 90 5.110 6.679 5.758 1.00 63.24 N ATOM 1304 CA ALA A 90 4.521 5.436 6.132 1.00 43.41 C ATOM 1305 C ALA A 90 5.481 4.330 5.841 1.00 2.32 C ATOM 1306 O ALA A 90 6.031 4.238 4.731 1.00 62.55 O ATOM 1307 CB ALA A 90 3.198 5.216 5.406 1.00 62.40 C ATOM 0 H ALA A 90 5.518 6.696 4.823 1.00 63.24 H new ATOM 0 HA ALA A 90 4.305 5.451 7.200 1.00 43.41 H new ATOM 0 HB1 ALA A 90 2.771 4.260 5.710 1.00 62.40 H new ATOM 0 HB2 ALA A 90 2.506 6.020 5.659 1.00 62.40 H new ATOM 0 HB3 ALA A 90 3.370 5.210 4.330 1.00 62.40 H new ATOM 1313 N GLU A 91 5.735 3.528 6.813 1.00 23.24 N ATOM 1314 CA GLU A 91 6.604 2.421 6.614 1.00 52.41 C ATOM 1315 C GLU A 91 5.800 1.154 6.652 1.00 20.31 C ATOM 1316 O GLU A 91 5.041 0.906 7.598 1.00 61.00 O ATOM 1317 CB GLU A 91 7.711 2.384 7.667 1.00 72.54 C ATOM 1318 CG GLU A 91 8.589 3.624 7.687 1.00 21.34 C ATOM 1319 CD GLU A 91 9.750 3.480 8.632 1.00 13.42 C ATOM 1320 OE1 GLU A 91 10.786 2.931 8.230 1.00 43.13 O ATOM 1321 OE2 GLU A 91 9.659 3.892 9.809 1.00 12.45 O ATOM 0 H GLU A 91 5.354 3.617 7.755 1.00 23.24 H new ATOM 0 HA GLU A 91 7.085 2.523 5.641 1.00 52.41 H new ATOM 0 HB2 GLU A 91 7.258 2.256 8.650 1.00 72.54 H new ATOM 0 HB3 GLU A 91 8.338 1.510 7.489 1.00 72.54 H new ATOM 0 HG2 GLU A 91 8.962 3.819 6.682 1.00 21.34 H new ATOM 0 HG3 GLU A 91 7.990 4.487 7.978 1.00 21.34 H new ATOM 1328 N PHE A 92 5.947 0.361 5.641 1.00 32.42 N ATOM 1329 CA PHE A 92 5.284 -0.896 5.574 1.00 21.11 C ATOM 1330 C PHE A 92 6.300 -1.964 5.873 1.00 31.01 C ATOM 1331 O PHE A 92 7.249 -2.171 5.109 1.00 72.53 O ATOM 1332 CB PHE A 92 4.648 -1.120 4.194 1.00 63.23 C ATOM 1333 CG PHE A 92 3.555 -0.141 3.830 1.00 74.14 C ATOM 1334 CD1 PHE A 92 3.853 1.042 3.171 1.00 12.14 C ATOM 1335 CD2 PHE A 92 2.234 -0.414 4.139 1.00 44.32 C ATOM 1336 CE1 PHE A 92 2.848 1.931 2.833 1.00 1.12 C ATOM 1337 CE2 PHE A 92 1.228 0.470 3.802 1.00 53.34 C ATOM 1338 CZ PHE A 92 1.537 1.645 3.148 1.00 11.54 C ATOM 0 H PHE A 92 6.535 0.570 4.834 1.00 32.42 H new ATOM 0 HA PHE A 92 4.473 -0.927 6.302 1.00 21.11 H new ATOM 0 HB2 PHE A 92 5.430 -1.067 3.437 1.00 63.23 H new ATOM 0 HB3 PHE A 92 4.238 -2.129 4.159 1.00 63.23 H new ATOM 0 HD1 PHE A 92 4.878 1.271 2.919 1.00 12.14 H new ATOM 0 HD2 PHE A 92 1.986 -1.332 4.651 1.00 44.32 H new ATOM 0 HE1 PHE A 92 3.091 2.851 2.321 1.00 1.12 H new ATOM 0 HE2 PHE A 92 0.202 0.242 4.050 1.00 53.34 H new ATOM 0 HZ PHE A 92 0.753 2.339 2.883 1.00 11.54 H new ATOM 1348 N ARG A 93 6.122 -2.601 6.978 1.00 30.23 N ATOM 1349 CA ARG A 93 7.014 -3.616 7.439 1.00 12.02 C ATOM 1350 C ARG A 93 6.346 -4.949 7.311 1.00 73.32 C ATOM 1351 O ARG A 93 5.373 -5.245 8.008 1.00 41.23 O ATOM 1352 CB ARG A 93 7.370 -3.336 8.896 1.00 21.03 C ATOM 1353 CG ARG A 93 8.412 -2.245 9.082 1.00 12.35 C ATOM 1354 CD ARG A 93 8.361 -1.630 10.478 1.00 54.13 C ATOM 1355 NE ARG A 93 8.098 -2.607 11.554 1.00 51.42 N ATOM 1356 CZ ARG A 93 9.005 -3.302 12.247 1.00 14.52 C ATOM 1357 NH1 ARG A 93 10.292 -3.262 11.914 1.00 64.40 N ATOM 1358 NH2 ARG A 93 8.599 -4.033 13.282 1.00 75.42 N ATOM 0 H ARG A 93 5.335 -2.429 7.603 1.00 30.23 H new ATOM 0 HA ARG A 93 7.927 -3.620 6.843 1.00 12.02 H new ATOM 0 HB2 ARG A 93 6.464 -3.053 9.432 1.00 21.03 H new ATOM 0 HB3 ARG A 93 7.737 -4.255 9.352 1.00 21.03 H new ATOM 0 HG2 ARG A 93 9.405 -2.659 8.906 1.00 12.35 H new ATOM 0 HG3 ARG A 93 8.255 -1.465 8.337 1.00 12.35 H new ATOM 0 HD2 ARG A 93 9.308 -1.130 10.679 1.00 54.13 H new ATOM 0 HD3 ARG A 93 7.586 -0.864 10.499 1.00 54.13 H new ATOM 0 HE ARG A 93 7.120 -2.768 11.794 1.00 51.42 H new ATOM 0 HH11 ARG A 93 10.596 -2.696 11.122 1.00 64.40 H new ATOM 0 HH12 ARG A 93 10.975 -3.797 12.451 1.00 64.40 H new ATOM 0 HH21 ARG A 93 7.611 -4.056 13.534 1.00 75.42 H new ATOM 0 HH22 ARG A 93 9.276 -4.571 13.824 1.00 75.42 H new ATOM 1372 N ILE A 94 6.857 -5.755 6.461 1.00 54.01 N ATOM 1373 CA ILE A 94 6.272 -7.025 6.229 1.00 31.22 C ATOM 1374 C ILE A 94 7.315 -8.103 6.345 1.00 12.34 C ATOM 1375 O ILE A 94 8.380 -8.043 5.748 1.00 61.15 O ATOM 1376 CB ILE A 94 5.438 -7.055 4.881 1.00 12.43 C ATOM 1377 CG1 ILE A 94 4.765 -8.437 4.566 1.00 3.13 C ATOM 1378 CG2 ILE A 94 6.250 -6.555 3.704 1.00 64.12 C ATOM 1379 CD1 ILE A 94 5.675 -9.519 3.989 1.00 43.51 C ATOM 0 H ILE A 94 7.690 -5.558 5.906 1.00 54.01 H new ATOM 0 HA ILE A 94 5.534 -7.229 7.005 1.00 31.22 H new ATOM 0 HB ILE A 94 4.613 -6.362 5.047 1.00 12.43 H new ATOM 0 HG12 ILE A 94 4.321 -8.818 5.486 1.00 3.13 H new ATOM 0 HG13 ILE A 94 3.948 -8.267 3.864 1.00 3.13 H new ATOM 0 HG21 ILE A 94 5.642 -6.592 2.800 1.00 64.12 H new ATOM 0 HG22 ILE A 94 6.564 -5.528 3.889 1.00 64.12 H new ATOM 0 HG23 ILE A 94 7.130 -7.185 3.575 1.00 64.12 H new ATOM 0 HD11 ILE A 94 5.096 -10.426 3.814 1.00 43.51 H new ATOM 0 HD12 ILE A 94 6.100 -9.172 3.047 1.00 43.51 H new ATOM 0 HD13 ILE A 94 6.479 -9.732 4.694 1.00 43.51 H new ATOM 1391 N ASN A 95 7.030 -9.007 7.189 1.00 1.42 N ATOM 1392 CA ASN A 95 7.843 -10.157 7.444 1.00 63.41 C ATOM 1393 C ASN A 95 7.090 -11.349 6.910 1.00 51.31 C ATOM 1394 O ASN A 95 5.866 -11.315 6.883 1.00 35.22 O ATOM 1395 CB ASN A 95 8.105 -10.335 8.946 1.00 20.15 C ATOM 1396 CG ASN A 95 9.072 -11.475 9.230 1.00 13.32 C ATOM 1397 OD1 ASN A 95 9.971 -11.752 8.445 1.00 14.51 O ATOM 1398 ND2 ASN A 95 8.880 -12.158 10.322 1.00 45.41 N ATOM 0 H ASN A 95 6.184 -8.980 7.759 1.00 1.42 H new ATOM 0 HA ASN A 95 8.814 -10.045 6.961 1.00 63.41 H new ATOM 0 HB2 ASN A 95 8.508 -9.409 9.355 1.00 20.15 H new ATOM 0 HB3 ASN A 95 7.161 -10.525 9.458 1.00 20.15 H new ATOM 0 HD21 ASN A 95 9.487 -12.948 10.543 1.00 45.41 H new ATOM 0 HD22 ASN A 95 8.123 -11.903 10.956 1.00 45.41 H new ATOM 1405 N GLU A 96 7.797 -12.351 6.429 1.00 35.22 N ATOM 1406 CA GLU A 96 7.206 -13.591 5.866 1.00 71.55 C ATOM 1407 C GLU A 96 6.007 -14.159 6.687 1.00 62.01 C ATOM 1408 O GLU A 96 5.136 -14.824 6.126 1.00 72.33 O ATOM 1409 CB GLU A 96 8.303 -14.648 5.701 1.00 62.43 C ATOM 1410 CG GLU A 96 9.052 -14.976 6.989 1.00 73.22 C ATOM 1411 CD GLU A 96 10.300 -15.775 6.741 1.00 11.23 C ATOM 1412 OE1 GLU A 96 10.243 -17.026 6.712 1.00 42.32 O ATOM 1413 OE2 GLU A 96 11.374 -15.158 6.557 1.00 31.51 O ATOM 0 H GLU A 96 8.817 -12.346 6.409 1.00 35.22 H new ATOM 0 HA GLU A 96 6.786 -13.325 4.896 1.00 71.55 H new ATOM 0 HB2 GLU A 96 7.856 -15.562 5.311 1.00 62.43 H new ATOM 0 HB3 GLU A 96 9.019 -14.300 4.956 1.00 62.43 H new ATOM 0 HG2 GLU A 96 9.313 -14.049 7.500 1.00 73.22 H new ATOM 0 HG3 GLU A 96 8.394 -15.533 7.656 1.00 73.22 H new ATOM 1420 N GLY A 97 5.963 -13.879 7.991 1.00 2.23 N ATOM 1421 CA GLY A 97 4.877 -14.352 8.805 1.00 13.23 C ATOM 1422 C GLY A 97 4.217 -13.256 9.636 1.00 4.41 C ATOM 1423 O GLY A 97 3.606 -13.558 10.663 1.00 5.21 O ATOM 0 H GLY A 97 6.666 -13.332 8.488 1.00 2.23 H new ATOM 0 HA2 GLY A 97 4.126 -14.812 8.163 1.00 13.23 H new ATOM 0 HA3 GLY A 97 5.246 -15.131 9.473 1.00 13.23 H new ATOM 1427 N GLU A 98 4.329 -11.990 9.206 1.00 13.14 N ATOM 1428 CA GLU A 98 3.717 -10.866 9.941 1.00 14.41 C ATOM 1429 C GLU A 98 3.679 -9.603 9.073 1.00 32.33 C ATOM 1430 O GLU A 98 4.594 -9.332 8.325 1.00 21.22 O ATOM 1431 CB GLU A 98 4.463 -10.583 11.270 1.00 33.11 C ATOM 1432 CG GLU A 98 3.838 -9.485 12.135 1.00 73.04 C ATOM 1433 CD GLU A 98 2.402 -9.788 12.515 1.00 52.21 C ATOM 1434 OE1 GLU A 98 1.509 -9.635 11.661 1.00 14.42 O ATOM 1435 OE2 GLU A 98 2.151 -10.199 13.674 1.00 51.31 O ATOM 0 H GLU A 98 4.832 -11.718 8.362 1.00 13.14 H new ATOM 0 HA GLU A 98 2.694 -11.154 10.184 1.00 14.41 H new ATOM 0 HB2 GLU A 98 4.504 -11.504 11.851 1.00 33.11 H new ATOM 0 HB3 GLU A 98 5.492 -10.304 11.041 1.00 33.11 H new ATOM 0 HG2 GLU A 98 4.431 -9.360 13.041 1.00 73.04 H new ATOM 0 HG3 GLU A 98 3.875 -8.538 11.596 1.00 73.04 H new ATOM 1442 N PHE A 99 2.648 -8.833 9.214 1.00 24.30 N ATOM 1443 CA PHE A 99 2.463 -7.634 8.418 1.00 14.51 C ATOM 1444 C PHE A 99 2.087 -6.423 9.279 1.00 4.34 C ATOM 1445 O PHE A 99 1.026 -6.372 9.901 1.00 71.41 O ATOM 1446 CB PHE A 99 1.495 -7.878 7.238 1.00 61.42 C ATOM 1447 CG PHE A 99 0.380 -8.863 7.513 1.00 31.15 C ATOM 1448 CD1 PHE A 99 -0.673 -8.545 8.343 1.00 33.32 C ATOM 1449 CD2 PHE A 99 0.399 -10.115 6.917 1.00 43.23 C ATOM 1450 CE1 PHE A 99 -1.683 -9.451 8.577 1.00 72.11 C ATOM 1451 CE2 PHE A 99 -0.610 -11.027 7.148 1.00 4.54 C ATOM 1452 CZ PHE A 99 -1.652 -10.694 7.980 1.00 3.31 C ATOM 0 H PHE A 99 1.900 -9.008 9.885 1.00 24.30 H new ATOM 0 HA PHE A 99 3.424 -7.383 7.970 1.00 14.51 H new ATOM 0 HB2 PHE A 99 1.053 -6.925 6.948 1.00 61.42 H new ATOM 0 HB3 PHE A 99 2.071 -8.235 6.384 1.00 61.42 H new ATOM 0 HD1 PHE A 99 -0.706 -7.574 8.815 1.00 33.32 H new ATOM 0 HD2 PHE A 99 1.216 -10.380 6.262 1.00 43.23 H new ATOM 0 HE1 PHE A 99 -2.502 -9.188 9.230 1.00 72.11 H new ATOM 0 HE2 PHE A 99 -0.581 -11.998 6.677 1.00 4.54 H new ATOM 0 HZ PHE A 99 -2.445 -11.404 8.166 1.00 3.31 H new ATOM 1462 N GLU A 100 2.961 -5.446 9.290 1.00 0.41 N ATOM 1463 CA GLU A 100 2.834 -4.295 10.170 1.00 50.12 C ATOM 1464 C GLU A 100 2.984 -2.963 9.391 1.00 64.43 C ATOM 1465 O GLU A 100 3.871 -2.815 8.559 1.00 22.55 O ATOM 1466 CB GLU A 100 3.925 -4.420 11.224 1.00 60.41 C ATOM 1467 CG GLU A 100 3.895 -3.405 12.337 1.00 20.02 C ATOM 1468 CD GLU A 100 5.040 -3.622 13.278 1.00 13.25 C ATOM 1469 OE1 GLU A 100 5.026 -4.603 14.035 1.00 43.43 O ATOM 1470 OE2 GLU A 100 6.006 -2.842 13.245 1.00 31.43 O ATOM 0 H GLU A 100 3.785 -5.421 8.690 1.00 0.41 H new ATOM 0 HA GLU A 100 1.844 -4.279 10.626 1.00 50.12 H new ATOM 0 HB2 GLU A 100 3.862 -5.415 11.666 1.00 60.41 H new ATOM 0 HB3 GLU A 100 4.892 -4.353 10.726 1.00 60.41 H new ATOM 0 HG2 GLU A 100 3.945 -2.399 11.921 1.00 20.02 H new ATOM 0 HG3 GLU A 100 2.952 -3.479 12.879 1.00 20.02 H new ATOM 1477 N VAL A 101 2.118 -2.016 9.665 1.00 64.32 N ATOM 1478 CA VAL A 101 2.170 -0.709 9.032 1.00 73.04 C ATOM 1479 C VAL A 101 2.439 0.366 10.094 1.00 4.30 C ATOM 1480 O VAL A 101 1.785 0.405 11.141 1.00 35.14 O ATOM 1481 CB VAL A 101 0.874 -0.396 8.198 1.00 64.54 C ATOM 1482 CG1 VAL A 101 -0.393 -0.483 9.040 1.00 25.12 C ATOM 1483 CG2 VAL A 101 0.974 0.966 7.513 1.00 41.55 C ATOM 0 H VAL A 101 1.355 -2.125 10.333 1.00 64.32 H new ATOM 0 HA VAL A 101 2.991 -0.709 8.315 1.00 73.04 H new ATOM 0 HB VAL A 101 0.804 -1.166 7.429 1.00 64.54 H new ATOM 0 HG11 VAL A 101 -1.259 -0.258 8.418 1.00 25.12 H new ATOM 0 HG12 VAL A 101 -0.490 -1.489 9.448 1.00 25.12 H new ATOM 0 HG13 VAL A 101 -0.337 0.236 9.857 1.00 25.12 H new ATOM 0 HG21 VAL A 101 0.064 1.155 6.944 1.00 41.55 H new ATOM 0 HG22 VAL A 101 1.099 1.744 8.266 1.00 41.55 H new ATOM 0 HG23 VAL A 101 1.831 0.972 6.839 1.00 41.55 H new ATOM 1493 N VAL A 102 3.426 1.186 9.851 1.00 14.02 N ATOM 1494 CA VAL A 102 3.844 2.192 10.807 1.00 53.33 C ATOM 1495 C VAL A 102 3.688 3.606 10.221 1.00 53.43 C ATOM 1496 O VAL A 102 4.135 3.871 9.097 1.00 15.24 O ATOM 1497 CB VAL A 102 5.330 1.956 11.223 1.00 23.33 C ATOM 1498 CG1 VAL A 102 5.795 2.986 12.229 1.00 62.32 C ATOM 1499 CG2 VAL A 102 5.522 0.553 11.787 1.00 4.20 C ATOM 0 H VAL A 102 3.967 1.180 8.986 1.00 14.02 H new ATOM 0 HA VAL A 102 3.205 2.108 11.686 1.00 53.33 H new ATOM 0 HB VAL A 102 5.937 2.060 10.324 1.00 23.33 H new ATOM 0 HG11 VAL A 102 6.834 2.791 12.496 1.00 62.32 H new ATOM 0 HG12 VAL A 102 5.713 3.982 11.794 1.00 62.32 H new ATOM 0 HG13 VAL A 102 5.174 2.928 13.123 1.00 62.32 H new ATOM 0 HG21 VAL A 102 6.566 0.414 12.069 1.00 4.20 H new ATOM 0 HG22 VAL A 102 4.888 0.424 12.665 1.00 4.20 H new ATOM 0 HG23 VAL A 102 5.249 -0.183 11.031 1.00 4.20 H new ATOM 1509 N ASP A 103 3.058 4.493 10.975 1.00 73.20 N ATOM 1510 CA ASP A 103 2.898 5.890 10.567 1.00 73.43 C ATOM 1511 C ASP A 103 3.897 6.744 11.281 1.00 75.44 C ATOM 1512 O ASP A 103 3.887 6.843 12.513 1.00 11.25 O ATOM 1513 CB ASP A 103 1.494 6.430 10.848 1.00 15.41 C ATOM 1514 CG ASP A 103 1.390 7.937 10.582 1.00 74.55 C ATOM 1515 OD1 ASP A 103 1.626 8.374 9.437 1.00 65.12 O ATOM 1516 OD2 ASP A 103 1.033 8.704 11.504 1.00 71.42 O ATOM 0 H ASP A 103 2.644 4.273 11.881 1.00 73.20 H new ATOM 0 HA ASP A 103 3.059 5.925 9.489 1.00 73.43 H new ATOM 0 HB2 ASP A 103 0.772 5.902 10.225 1.00 15.41 H new ATOM 0 HB3 ASP A 103 1.229 6.227 11.886 1.00 15.41 H new ATOM 1521 N VAL A 104 4.784 7.317 10.535 1.00 60.32 N ATOM 1522 CA VAL A 104 5.783 8.197 11.087 1.00 42.13 C ATOM 1523 C VAL A 104 5.723 9.573 10.451 1.00 40.31 C ATOM 1524 O VAL A 104 6.431 10.508 10.854 1.00 41.40 O ATOM 1525 CB VAL A 104 7.202 7.591 11.027 1.00 34.04 C ATOM 1526 CG1 VAL A 104 7.341 6.522 12.088 1.00 24.31 C ATOM 1527 CG2 VAL A 104 7.480 6.981 9.660 1.00 61.33 C ATOM 0 H VAL A 104 4.844 7.194 9.524 1.00 60.32 H new ATOM 0 HA VAL A 104 5.549 8.318 12.145 1.00 42.13 H new ATOM 0 HB VAL A 104 7.922 8.390 11.203 1.00 34.04 H new ATOM 0 HG11 VAL A 104 8.343 6.095 12.045 1.00 24.31 H new ATOM 0 HG12 VAL A 104 7.176 6.962 13.072 1.00 24.31 H new ATOM 0 HG13 VAL A 104 6.604 5.738 11.913 1.00 24.31 H new ATOM 0 HG21 VAL A 104 8.486 6.562 9.646 1.00 61.33 H new ATOM 0 HG22 VAL A 104 6.755 6.192 9.460 1.00 61.33 H new ATOM 0 HG23 VAL A 104 7.398 7.752 8.894 1.00 61.33 H new ATOM 1537 N GLY A 105 4.821 9.713 9.510 1.00 12.22 N ATOM 1538 CA GLY A 105 4.593 10.965 8.859 1.00 4.41 C ATOM 1539 C GLY A 105 3.390 11.618 9.449 1.00 21.31 C ATOM 1540 O GLY A 105 2.599 12.250 8.745 1.00 54.44 O ATOM 0 H GLY A 105 4.226 8.954 9.178 1.00 12.22 H new ATOM 0 HA2 GLY A 105 5.464 11.611 8.973 1.00 4.41 H new ATOM 0 HA3 GLY A 105 4.449 10.810 7.790 1.00 4.41 H new ATOM 1544 N SER A 106 3.282 11.497 10.769 1.00 23.11 N ATOM 1545 CA SER A 106 2.169 11.966 11.585 1.00 25.54 C ATOM 1546 C SER A 106 1.991 13.502 11.560 1.00 54.34 C ATOM 1547 O SER A 106 1.161 14.058 12.286 1.00 21.42 O ATOM 1548 CB SER A 106 2.397 11.470 12.996 1.00 2.41 C ATOM 1549 OG SER A 106 2.702 10.078 12.973 1.00 35.41 O ATOM 0 H SER A 106 4.007 11.045 11.326 1.00 23.11 H new ATOM 0 HA SER A 106 1.242 11.568 11.172 1.00 25.54 H new ATOM 0 HB2 SER A 106 3.214 12.023 13.459 1.00 2.41 H new ATOM 0 HB3 SER A 106 1.509 11.647 13.602 1.00 2.41 H new ATOM 0 HG SER A 106 2.201 9.645 12.250 1.00 35.41 H new ATOM 1555 N LEU A 107 2.786 14.172 10.752 1.00 53.52 N ATOM 1556 CA LEU A 107 2.618 15.587 10.494 1.00 71.40 C ATOM 1557 C LEU A 107 1.338 15.735 9.694 1.00 3.21 C ATOM 1558 O LEU A 107 0.521 16.617 9.936 1.00 45.14 O ATOM 1559 CB LEU A 107 3.798 16.156 9.664 1.00 33.44 C ATOM 1560 CG LEU A 107 5.212 16.175 10.299 1.00 50.33 C ATOM 1561 CD1 LEU A 107 5.211 16.882 11.640 1.00 71.24 C ATOM 1562 CD2 LEU A 107 5.829 14.781 10.401 1.00 2.30 C ATOM 0 H LEU A 107 3.569 13.749 10.254 1.00 53.52 H new ATOM 0 HA LEU A 107 2.583 16.133 11.437 1.00 71.40 H new ATOM 0 HB2 LEU A 107 3.858 15.583 8.739 1.00 33.44 H new ATOM 0 HB3 LEU A 107 3.545 17.180 9.389 1.00 33.44 H new ATOM 0 HG LEU A 107 5.847 16.747 9.623 1.00 50.33 H new ATOM 0 HD11 LEU A 107 6.219 16.876 12.055 1.00 71.24 H new ATOM 0 HD12 LEU A 107 4.879 17.912 11.508 1.00 71.24 H new ATOM 0 HD13 LEU A 107 4.534 16.367 12.322 1.00 71.24 H new ATOM 0 HD21 LEU A 107 6.818 14.853 10.853 1.00 2.30 H new ATOM 0 HD22 LEU A 107 5.194 14.146 11.019 1.00 2.30 H new ATOM 0 HD23 LEU A 107 5.916 14.348 9.405 1.00 2.30 H new ATOM 1574 N ASN A 108 1.176 14.816 8.765 1.00 13.33 N ATOM 1575 CA ASN A 108 0.005 14.748 7.922 1.00 55.25 C ATOM 1576 C ASN A 108 -0.793 13.527 8.314 1.00 30.45 C ATOM 1577 O ASN A 108 -2.017 13.575 8.406 1.00 23.32 O ATOM 1578 CB ASN A 108 0.407 14.696 6.450 1.00 31.32 C ATOM 1579 CG ASN A 108 1.075 15.979 5.980 1.00 70.12 C ATOM 1580 OD1 ASN A 108 0.743 17.075 6.426 1.00 41.21 O ATOM 1581 ND2 ASN A 108 2.027 15.854 5.097 1.00 43.35 N ATOM 0 H ASN A 108 1.863 14.087 8.573 1.00 13.33 H new ATOM 0 HA ASN A 108 -0.607 15.640 8.058 1.00 55.25 H new ATOM 0 HB2 ASN A 108 1.086 13.858 6.292 1.00 31.32 H new ATOM 0 HB3 ASN A 108 -0.478 14.508 5.842 1.00 31.32 H new ATOM 0 HD21 ASN A 108 2.519 16.680 4.757 1.00 43.35 H new ATOM 0 HD22 ASN A 108 2.279 14.930 4.746 1.00 43.35 H new ATOM 1588 N GLY A 109 -0.091 12.440 8.570 1.00 74.20 N ATOM 1589 CA GLY A 109 -0.707 11.251 9.094 1.00 63.44 C ATOM 1590 C GLY A 109 -1.155 10.238 8.067 1.00 72.15 C ATOM 1591 O GLY A 109 -1.765 10.575 7.042 1.00 52.34 O ATOM 0 H GLY A 109 0.915 12.363 8.420 1.00 74.20 H new ATOM 0 HA2 GLY A 109 -0.003 10.767 9.771 1.00 63.44 H new ATOM 0 HA3 GLY A 109 -1.572 11.544 9.689 1.00 63.44 H new ATOM 1595 N THR A 110 -0.786 9.021 8.312 1.00 11.33 N ATOM 1596 CA THR A 110 -1.292 7.894 7.594 1.00 33.43 C ATOM 1597 C THR A 110 -2.457 7.358 8.422 1.00 24.53 C ATOM 1598 O THR A 110 -2.364 7.286 9.658 1.00 50.23 O ATOM 1599 CB THR A 110 -0.211 6.802 7.490 1.00 70.33 C ATOM 1600 OG1 THR A 110 1.005 7.391 7.035 1.00 35.40 O ATOM 1601 CG2 THR A 110 -0.631 5.699 6.528 1.00 32.55 C ATOM 0 H THR A 110 -0.108 8.777 9.034 1.00 11.33 H new ATOM 0 HA THR A 110 -1.594 8.174 6.585 1.00 33.43 H new ATOM 0 HB THR A 110 -0.072 6.358 8.476 1.00 70.33 H new ATOM 0 HG1 THR A 110 1.392 7.937 7.751 1.00 35.40 H new ATOM 0 HG21 THR A 110 0.153 4.943 6.476 1.00 32.55 H new ATOM 0 HG22 THR A 110 -1.555 5.240 6.881 1.00 32.55 H new ATOM 0 HG23 THR A 110 -0.792 6.123 5.537 1.00 32.55 H new ATOM 1609 N TYR A 111 -3.542 7.038 7.794 1.00 45.11 N ATOM 1610 CA TYR A 111 -4.685 6.571 8.527 1.00 61.13 C ATOM 1611 C TYR A 111 -5.009 5.171 8.115 1.00 45.03 C ATOM 1612 O TYR A 111 -5.034 4.863 6.926 1.00 3.45 O ATOM 1613 CB TYR A 111 -5.919 7.442 8.245 1.00 24.42 C ATOM 1614 CG TYR A 111 -5.731 8.919 8.483 1.00 30.24 C ATOM 1615 CD1 TYR A 111 -5.958 9.470 9.729 1.00 34.20 C ATOM 1616 CD2 TYR A 111 -5.344 9.764 7.449 1.00 70.23 C ATOM 1617 CE1 TYR A 111 -5.802 10.820 9.945 1.00 50.42 C ATOM 1618 CE2 TYR A 111 -5.191 11.115 7.656 1.00 44.45 C ATOM 1619 CZ TYR A 111 -5.420 11.638 8.906 1.00 42.52 C ATOM 1620 OH TYR A 111 -5.278 12.994 9.120 1.00 11.50 O ATOM 0 H TYR A 111 -3.666 7.089 6.783 1.00 45.11 H new ATOM 0 HA TYR A 111 -4.440 6.620 9.588 1.00 61.13 H new ATOM 0 HB2 TYR A 111 -6.220 7.293 7.208 1.00 24.42 H new ATOM 0 HB3 TYR A 111 -6.741 7.092 8.869 1.00 24.42 H new ATOM 0 HD1 TYR A 111 -6.262 8.832 10.546 1.00 34.20 H new ATOM 0 HD2 TYR A 111 -5.161 9.353 6.467 1.00 70.23 H new ATOM 0 HE1 TYR A 111 -5.979 11.236 10.926 1.00 50.42 H new ATOM 0 HE2 TYR A 111 -4.893 11.760 6.842 1.00 44.45 H new ATOM 0 HH TYR A 111 -5.002 13.430 8.287 1.00 11.50 H new ATOM 1630 N VAL A 112 -5.258 4.330 9.063 1.00 50.33 N ATOM 1631 CA VAL A 112 -5.735 3.023 8.751 1.00 53.11 C ATOM 1632 C VAL A 112 -7.222 3.033 8.976 1.00 21.24 C ATOM 1633 O VAL A 112 -7.698 3.181 10.095 1.00 1.03 O ATOM 1634 CB VAL A 112 -4.989 1.879 9.525 1.00 51.33 C ATOM 1635 CG1 VAL A 112 -3.543 1.791 9.062 1.00 73.22 C ATOM 1636 CG2 VAL A 112 -5.028 2.082 11.035 1.00 73.41 C ATOM 0 H VAL A 112 -5.140 4.523 10.058 1.00 50.33 H new ATOM 0 HA VAL A 112 -5.519 2.788 7.709 1.00 53.11 H new ATOM 0 HB VAL A 112 -5.510 0.948 9.301 1.00 51.33 H new ATOM 0 HG11 VAL A 112 -3.035 0.994 9.605 1.00 73.22 H new ATOM 0 HG12 VAL A 112 -3.515 1.576 7.994 1.00 73.22 H new ATOM 0 HG13 VAL A 112 -3.041 2.739 9.255 1.00 73.22 H new ATOM 0 HG21 VAL A 112 -4.499 1.265 11.526 1.00 73.41 H new ATOM 0 HG22 VAL A 112 -4.549 3.028 11.287 1.00 73.41 H new ATOM 0 HG23 VAL A 112 -6.064 2.098 11.373 1.00 73.41 H new ATOM 1646 N ASN A 113 -7.932 2.946 7.890 1.00 21.03 N ATOM 1647 CA ASN A 113 -9.375 3.116 7.799 1.00 4.44 C ATOM 1648 C ASN A 113 -9.724 4.571 8.112 1.00 22.22 C ATOM 1649 O ASN A 113 -9.883 5.392 7.206 1.00 25.21 O ATOM 1650 CB ASN A 113 -10.157 2.148 8.697 1.00 21.11 C ATOM 1651 CG ASN A 113 -11.590 2.043 8.272 1.00 30.34 C ATOM 1652 OD1 ASN A 113 -12.457 2.808 8.715 1.00 22.20 O ATOM 1653 ND2 ASN A 113 -11.856 1.086 7.419 1.00 44.25 N ATOM 0 H ASN A 113 -7.507 2.743 6.985 1.00 21.03 H new ATOM 0 HA ASN A 113 -9.678 2.872 6.781 1.00 4.44 H new ATOM 0 HB2 ASN A 113 -9.693 1.162 8.663 1.00 21.11 H new ATOM 0 HB3 ASN A 113 -10.107 2.488 9.731 1.00 21.11 H new ATOM 0 HD21 ASN A 113 -12.812 0.946 7.091 1.00 44.25 H new ATOM 0 HD22 ASN A 113 -11.107 0.480 7.082 1.00 44.25 H new ATOM 1660 N ARG A 114 -9.751 4.886 9.393 1.00 4.11 N ATOM 1661 CA ARG A 114 -9.993 6.232 9.914 1.00 73.13 C ATOM 1662 C ARG A 114 -9.224 6.410 11.207 1.00 21.21 C ATOM 1663 O ARG A 114 -9.449 7.368 11.956 1.00 62.35 O ATOM 1664 CB ARG A 114 -11.481 6.492 10.194 1.00 10.41 C ATOM 1665 CG ARG A 114 -12.361 6.622 8.970 1.00 31.04 C ATOM 1666 CD ARG A 114 -13.724 7.168 9.346 1.00 11.00 C ATOM 1667 NE ARG A 114 -13.621 8.507 9.968 1.00 24.12 N ATOM 1668 CZ ARG A 114 -14.648 9.337 10.193 1.00 44.34 C ATOM 1669 NH1 ARG A 114 -15.876 9.035 9.761 1.00 65.23 N ATOM 1670 NH2 ARG A 114 -14.437 10.486 10.829 1.00 44.20 N ATOM 0 H ARG A 114 -9.601 4.195 10.129 1.00 4.11 H new ATOM 0 HA ARG A 114 -9.662 6.940 9.154 1.00 73.13 H new ATOM 0 HB2 ARG A 114 -11.864 5.679 10.811 1.00 10.41 H new ATOM 0 HB3 ARG A 114 -11.568 7.406 10.781 1.00 10.41 H new ATOM 0 HG2 ARG A 114 -11.887 7.282 8.244 1.00 31.04 H new ATOM 0 HG3 ARG A 114 -12.473 5.649 8.491 1.00 31.04 H new ATOM 0 HD2 ARG A 114 -14.351 7.226 8.457 1.00 11.00 H new ATOM 0 HD3 ARG A 114 -14.214 6.482 10.037 1.00 11.00 H new ATOM 0 HE ARG A 114 -12.693 8.823 10.248 1.00 24.12 H new ATOM 0 HH11 ARG A 114 -16.039 8.165 9.254 1.00 65.23 H new ATOM 0 HH12 ARG A 114 -16.651 9.675 9.938 1.00 65.23 H new ATOM 0 HH21 ARG A 114 -13.498 10.731 11.142 1.00 44.20 H new ATOM 0 HH22 ARG A 114 -15.215 11.123 11.004 1.00 44.20 H new ATOM 1684 N GLU A 115 -8.311 5.497 11.448 1.00 50.12 N ATOM 1685 CA GLU A 115 -7.548 5.449 12.667 1.00 14.25 C ATOM 1686 C GLU A 115 -6.141 6.002 12.437 1.00 62.34 C ATOM 1687 O GLU A 115 -5.366 5.423 11.658 1.00 33.03 O ATOM 1688 CB GLU A 115 -7.417 3.993 13.118 1.00 22.13 C ATOM 1689 CG GLU A 115 -8.722 3.264 13.376 1.00 71.21 C ATOM 1690 CD GLU A 115 -9.508 3.862 14.502 1.00 2.33 C ATOM 1691 OE1 GLU A 115 -9.126 3.677 15.675 1.00 34.13 O ATOM 1692 OE2 GLU A 115 -10.534 4.512 14.245 1.00 71.22 O ATOM 0 H GLU A 115 -8.076 4.755 10.788 1.00 50.12 H new ATOM 0 HA GLU A 115 -8.059 6.047 13.422 1.00 14.25 H new ATOM 0 HB2 GLU A 115 -6.860 3.445 12.358 1.00 22.13 H new ATOM 0 HB3 GLU A 115 -6.821 3.967 14.030 1.00 22.13 H new ATOM 0 HG2 GLU A 115 -9.326 3.279 12.469 1.00 71.21 H new ATOM 0 HG3 GLU A 115 -8.511 2.219 13.601 1.00 71.21 H new ATOM 1699 N PRO A 116 -5.799 7.130 13.047 1.00 42.22 N ATOM 1700 CA PRO A 116 -4.452 7.655 13.009 1.00 41.41 C ATOM 1701 C PRO A 116 -3.617 6.982 14.108 1.00 61.05 C ATOM 1702 O PRO A 116 -3.667 7.381 15.278 1.00 70.31 O ATOM 1703 CB PRO A 116 -4.631 9.159 13.304 1.00 63.43 C ATOM 1704 CG PRO A 116 -6.102 9.360 13.556 1.00 51.33 C ATOM 1705 CD PRO A 116 -6.685 8.000 13.820 1.00 3.12 C ATOM 0 HA PRO A 116 -3.941 7.479 12.062 1.00 41.41 H new ATOM 0 HB2 PRO A 116 -4.042 9.459 14.171 1.00 63.43 H new ATOM 0 HB3 PRO A 116 -4.293 9.765 12.463 1.00 63.43 H new ATOM 0 HG2 PRO A 116 -6.262 10.021 14.407 1.00 51.33 H new ATOM 0 HG3 PRO A 116 -6.582 9.826 12.696 1.00 51.33 H new ATOM 0 HD2 PRO A 116 -6.675 7.752 14.881 1.00 3.12 H new ATOM 0 HD3 PRO A 116 -7.720 7.928 13.485 1.00 3.12 H new ATOM 1713 N ARG A 117 -2.911 5.931 13.746 1.00 62.31 N ATOM 1714 CA ARG A 117 -2.176 5.146 14.721 1.00 24.21 C ATOM 1715 C ARG A 117 -0.710 5.111 14.396 1.00 33.25 C ATOM 1716 O ARG A 117 -0.332 5.098 13.228 1.00 72.33 O ATOM 1717 CB ARG A 117 -2.733 3.720 14.806 1.00 43.23 C ATOM 1718 CG ARG A 117 -4.196 3.670 15.186 1.00 72.05 C ATOM 1719 CD ARG A 117 -4.698 2.256 15.345 1.00 30.31 C ATOM 1720 NE ARG A 117 -6.123 2.237 15.691 1.00 33.24 N ATOM 1721 CZ ARG A 117 -6.833 1.154 16.035 1.00 51.42 C ATOM 1722 NH1 ARG A 117 -6.235 -0.018 16.211 1.00 33.42 N ATOM 1723 NH2 ARG A 117 -8.133 1.262 16.240 1.00 64.23 N ATOM 0 H ARG A 117 -2.829 5.599 12.785 1.00 62.31 H new ATOM 0 HA ARG A 117 -2.300 5.627 15.691 1.00 24.21 H new ATOM 0 HB2 ARG A 117 -2.598 3.227 13.843 1.00 43.23 H new ATOM 0 HB3 ARG A 117 -2.155 3.155 15.538 1.00 43.23 H new ATOM 0 HG2 ARG A 117 -4.346 4.213 16.119 1.00 72.05 H new ATOM 0 HG3 ARG A 117 -4.785 4.179 14.423 1.00 72.05 H new ATOM 0 HD2 ARG A 117 -4.538 1.704 14.419 1.00 30.31 H new ATOM 0 HD3 ARG A 117 -4.125 1.749 16.121 1.00 30.31 H new ATOM 0 HE ARG A 117 -6.618 3.128 15.668 1.00 33.24 H new ATOM 0 HH11 ARG A 117 -5.226 -0.100 16.084 1.00 33.42 H new ATOM 0 HH12 ARG A 117 -6.784 -0.837 16.473 1.00 33.42 H new ATOM 0 HH21 ARG A 117 -8.592 2.167 16.136 1.00 64.23 H new ATOM 0 HH22 ARG A 117 -8.678 0.441 16.502 1.00 64.23 H new ATOM 1737 N ASN A 118 0.100 5.076 15.437 1.00 32.41 N ATOM 1738 CA ASN A 118 1.559 5.084 15.322 1.00 41.14 C ATOM 1739 C ASN A 118 2.053 3.810 14.659 1.00 22.43 C ATOM 1740 O ASN A 118 2.958 3.839 13.818 1.00 14.34 O ATOM 1741 CB ASN A 118 2.224 5.247 16.702 1.00 24.44 C ATOM 1742 CG ASN A 118 1.938 6.585 17.392 1.00 52.04 C ATOM 1743 OD1 ASN A 118 0.876 7.200 17.210 1.00 60.42 O ATOM 1744 ND2 ASN A 118 2.862 7.032 18.196 1.00 73.11 N ATOM 0 H ASN A 118 -0.233 5.041 16.400 1.00 32.41 H new ATOM 0 HA ASN A 118 1.836 5.936 14.701 1.00 41.14 H new ATOM 0 HB2 ASN A 118 1.887 4.439 17.351 1.00 24.44 H new ATOM 0 HB3 ASN A 118 3.302 5.135 16.587 1.00 24.44 H new ATOM 0 HD21 ASN A 118 2.722 7.910 18.696 1.00 73.11 H new ATOM 0 HD22 ASN A 118 3.725 6.504 18.325 1.00 73.11 H new ATOM 1751 N ALA A 119 1.475 2.694 15.046 1.00 32.32 N ATOM 1752 CA ALA A 119 1.771 1.427 14.428 1.00 23.45 C ATOM 1753 C ALA A 119 0.544 0.565 14.505 1.00 11.04 C ATOM 1754 O ALA A 119 -0.163 0.570 15.521 1.00 1.54 O ATOM 1755 CB ALA A 119 2.944 0.738 15.117 1.00 2.20 C ATOM 0 H ALA A 119 0.787 2.643 15.798 1.00 32.32 H new ATOM 0 HA ALA A 119 2.054 1.590 13.388 1.00 23.45 H new ATOM 0 HB1 ALA A 119 3.144 -0.216 14.628 1.00 2.20 H new ATOM 0 HB2 ALA A 119 3.828 1.372 15.051 1.00 2.20 H new ATOM 0 HB3 ALA A 119 2.700 0.565 16.165 1.00 2.20 H new ATOM 1761 N GLN A 120 0.268 -0.133 13.454 1.00 4.40 N ATOM 1762 CA GLN A 120 -0.876 -0.994 13.371 1.00 75.35 C ATOM 1763 C GLN A 120 -0.516 -2.271 12.633 1.00 0.42 C ATOM 1764 O GLN A 120 0.380 -2.271 11.791 1.00 11.30 O ATOM 1765 CB GLN A 120 -2.063 -0.258 12.697 1.00 53.13 C ATOM 1766 CG GLN A 120 -3.339 -1.098 12.506 1.00 64.53 C ATOM 1767 CD GLN A 120 -3.957 -1.619 13.803 1.00 10.40 C ATOM 1768 OE1 GLN A 120 -3.278 -1.867 14.794 1.00 74.34 O ATOM 1769 NE2 GLN A 120 -5.238 -1.808 13.792 1.00 62.51 N ATOM 0 H GLN A 120 0.840 -0.124 12.609 1.00 4.40 H new ATOM 0 HA GLN A 120 -1.190 -1.267 14.378 1.00 75.35 H new ATOM 0 HB2 GLN A 120 -2.312 0.618 13.295 1.00 53.13 H new ATOM 0 HB3 GLN A 120 -1.737 0.104 11.722 1.00 53.13 H new ATOM 0 HG2 GLN A 120 -4.080 -0.495 11.982 1.00 64.53 H new ATOM 0 HG3 GLN A 120 -3.107 -1.947 11.863 1.00 64.53 H new ATOM 0 HE21 GLN A 120 -5.778 -1.593 12.954 1.00 62.51 H new ATOM 0 HE22 GLN A 120 -5.707 -2.172 14.622 1.00 62.51 H new ATOM 1778 N VAL A 121 -1.175 -3.343 12.961 1.00 62.42 N ATOM 1779 CA VAL A 121 -0.999 -4.578 12.225 1.00 13.31 C ATOM 1780 C VAL A 121 -1.842 -4.427 10.971 1.00 41.01 C ATOM 1781 O VAL A 121 -2.977 -3.939 11.054 1.00 15.14 O ATOM 1782 CB VAL A 121 -1.499 -5.806 13.043 1.00 70.12 C ATOM 1783 CG1 VAL A 121 -1.316 -7.106 12.265 1.00 20.44 C ATOM 1784 CG2 VAL A 121 -0.780 -5.887 14.375 1.00 32.11 C ATOM 0 H VAL A 121 -1.841 -3.396 13.732 1.00 62.42 H new ATOM 0 HA VAL A 121 0.055 -4.751 12.006 1.00 13.31 H new ATOM 0 HB VAL A 121 -2.565 -5.670 13.225 1.00 70.12 H new ATOM 0 HG11 VAL A 121 -1.675 -7.942 12.865 1.00 20.44 H new ATOM 0 HG12 VAL A 121 -1.883 -7.056 11.335 1.00 20.44 H new ATOM 0 HG13 VAL A 121 -0.259 -7.249 12.039 1.00 20.44 H new ATOM 0 HG21 VAL A 121 -1.142 -6.751 14.932 1.00 32.11 H new ATOM 0 HG22 VAL A 121 0.292 -5.989 14.204 1.00 32.11 H new ATOM 0 HG23 VAL A 121 -0.972 -4.980 14.948 1.00 32.11 H new ATOM 1794 N MET A 122 -1.285 -4.778 9.820 1.00 51.15 N ATOM 1795 CA MET A 122 -1.992 -4.602 8.552 1.00 21.12 C ATOM 1796 C MET A 122 -3.258 -5.414 8.563 1.00 0.32 C ATOM 1797 O MET A 122 -3.233 -6.607 8.835 1.00 43.22 O ATOM 1798 CB MET A 122 -1.147 -5.014 7.340 1.00 61.10 C ATOM 1799 CG MET A 122 0.153 -4.255 7.151 1.00 34.30 C ATOM 1800 SD MET A 122 1.028 -4.792 5.666 1.00 32.53 S ATOM 1801 CE MET A 122 2.561 -3.890 5.810 1.00 63.45 C ATOM 0 H MET A 122 -0.353 -5.184 9.734 1.00 51.15 H new ATOM 0 HA MET A 122 -2.212 -3.539 8.456 1.00 21.12 H new ATOM 0 HB2 MET A 122 -0.916 -6.076 7.426 1.00 61.10 H new ATOM 0 HB3 MET A 122 -1.751 -4.891 6.441 1.00 61.10 H new ATOM 0 HG2 MET A 122 -0.055 -3.187 7.085 1.00 34.30 H new ATOM 0 HG3 MET A 122 0.791 -4.402 8.023 1.00 34.30 H new ATOM 0 HE1 MET A 122 3.093 -3.922 4.859 1.00 63.45 H new ATOM 0 HE2 MET A 122 2.350 -2.853 6.073 1.00 63.45 H new ATOM 0 HE3 MET A 122 3.178 -4.343 6.586 1.00 63.45 H new ATOM 1811 N GLN A 123 -4.356 -4.778 8.292 1.00 2.04 N ATOM 1812 CA GLN A 123 -5.600 -5.458 8.305 1.00 4.32 C ATOM 1813 C GLN A 123 -6.071 -5.698 6.901 1.00 3.14 C ATOM 1814 O GLN A 123 -6.083 -4.789 6.062 1.00 42.12 O ATOM 1815 CB GLN A 123 -6.637 -4.717 9.152 1.00 22.40 C ATOM 1816 CG GLN A 123 -7.981 -5.420 9.222 1.00 33.34 C ATOM 1817 CD GLN A 123 -8.846 -4.907 10.336 1.00 55.23 C ATOM 1818 OE1 GLN A 123 -8.789 -5.406 11.456 1.00 32.11 O ATOM 1819 NE2 GLN A 123 -9.624 -3.915 10.077 1.00 25.14 N ATOM 0 H GLN A 123 -4.409 -3.786 8.059 1.00 2.04 H new ATOM 0 HA GLN A 123 -5.462 -6.430 8.778 1.00 4.32 H new ATOM 0 HB2 GLN A 123 -6.248 -4.595 10.163 1.00 22.40 H new ATOM 0 HB3 GLN A 123 -6.781 -3.717 8.742 1.00 22.40 H new ATOM 0 HG2 GLN A 123 -8.503 -5.292 8.274 1.00 33.34 H new ATOM 0 HG3 GLN A 123 -7.820 -6.490 9.356 1.00 33.34 H new ATOM 0 HE21 GLN A 123 -9.651 -3.520 9.137 1.00 25.14 H new ATOM 0 HE22 GLN A 123 -10.213 -3.524 10.812 1.00 25.14 H new ATOM 1828 N THR A 124 -6.436 -6.917 6.651 1.00 33.01 N ATOM 1829 CA THR A 124 -6.868 -7.355 5.376 1.00 63.30 C ATOM 1830 C THR A 124 -8.292 -6.921 5.152 1.00 14.34 C ATOM 1831 O THR A 124 -9.121 -7.043 6.054 1.00 50.44 O ATOM 1832 CB THR A 124 -6.780 -8.880 5.328 1.00 22.21 C ATOM 1833 OG1 THR A 124 -7.385 -9.412 6.517 1.00 74.14 O ATOM 1834 CG2 THR A 124 -5.332 -9.343 5.248 1.00 20.52 C ATOM 0 H THR A 124 -6.439 -7.653 7.357 1.00 33.01 H new ATOM 0 HA THR A 124 -6.238 -6.923 4.598 1.00 63.30 H new ATOM 0 HB THR A 124 -7.301 -9.236 4.439 1.00 22.21 H new ATOM 0 HG1 THR A 124 -8.205 -8.914 6.718 1.00 74.14 H new ATOM 0 HG21 THR A 124 -5.300 -10.432 5.215 1.00 20.52 H new ATOM 0 HG22 THR A 124 -4.870 -8.939 4.347 1.00 20.52 H new ATOM 0 HG23 THR A 124 -4.788 -8.990 6.124 1.00 20.52 H new ATOM 1842 N GLY A 125 -8.544 -6.344 4.004 1.00 13.43 N ATOM 1843 CA GLY A 125 -9.863 -5.901 3.670 1.00 74.50 C ATOM 1844 C GLY A 125 -10.115 -4.533 4.220 1.00 34.30 C ATOM 1845 O GLY A 125 -11.267 -4.131 4.425 1.00 41.14 O ATOM 0 H GLY A 125 -7.843 -6.172 3.283 1.00 13.43 H new ATOM 0 HA2 GLY A 125 -9.986 -5.891 2.587 1.00 74.50 H new ATOM 0 HA3 GLY A 125 -10.599 -6.600 4.068 1.00 74.50 H new ATOM 1849 N ASP A 126 -9.050 -3.803 4.467 1.00 63.14 N ATOM 1850 CA ASP A 126 -9.190 -2.492 5.029 1.00 71.00 C ATOM 1851 C ASP A 126 -8.514 -1.468 4.123 1.00 23.40 C ATOM 1852 O ASP A 126 -7.773 -1.837 3.192 1.00 11.10 O ATOM 1853 CB ASP A 126 -8.639 -2.426 6.457 1.00 40.24 C ATOM 1854 CG ASP A 126 -9.425 -1.456 7.314 1.00 41.12 C ATOM 1855 OD1 ASP A 126 -9.522 -0.283 6.960 1.00 64.01 O ATOM 1856 OD2 ASP A 126 -9.986 -1.882 8.349 1.00 24.44 O ATOM 0 H ASP A 126 -8.090 -4.097 4.287 1.00 63.14 H new ATOM 0 HA ASP A 126 -10.252 -2.256 5.093 1.00 71.00 H new ATOM 0 HB2 ASP A 126 -8.672 -3.418 6.906 1.00 40.24 H new ATOM 0 HB3 ASP A 126 -7.592 -2.123 6.430 1.00 40.24 H new ATOM 1861 N GLU A 127 -8.719 -0.222 4.422 1.00 20.34 N ATOM 1862 CA GLU A 127 -8.331 0.868 3.574 1.00 32.23 C ATOM 1863 C GLU A 127 -7.322 1.770 4.292 1.00 43.30 C ATOM 1864 O GLU A 127 -7.599 2.306 5.343 1.00 64.51 O ATOM 1865 CB GLU A 127 -9.611 1.622 3.230 1.00 30.32 C ATOM 1866 CG GLU A 127 -9.475 2.788 2.293 1.00 61.44 C ATOM 1867 CD GLU A 127 -10.821 3.395 2.011 1.00 24.40 C ATOM 1868 OE1 GLU A 127 -11.263 4.267 2.778 1.00 74.44 O ATOM 1869 OE2 GLU A 127 -11.463 2.995 1.025 1.00 3.05 O ATOM 0 H GLU A 127 -9.173 0.075 5.286 1.00 20.34 H new ATOM 0 HA GLU A 127 -7.840 0.516 2.667 1.00 32.23 H new ATOM 0 HB2 GLU A 127 -10.316 0.915 2.793 1.00 30.32 H new ATOM 0 HB3 GLU A 127 -10.054 1.981 4.159 1.00 30.32 H new ATOM 0 HG2 GLU A 127 -8.815 3.538 2.729 1.00 61.44 H new ATOM 0 HG3 GLU A 127 -9.014 2.461 1.361 1.00 61.44 H new ATOM 1876 N ILE A 128 -6.170 1.927 3.721 1.00 62.24 N ATOM 1877 CA ILE A 128 -5.116 2.723 4.301 1.00 33.20 C ATOM 1878 C ILE A 128 -4.985 4.040 3.533 1.00 74.42 C ATOM 1879 O ILE A 128 -4.698 4.048 2.336 1.00 42.51 O ATOM 1880 CB ILE A 128 -3.756 1.959 4.269 1.00 33.32 C ATOM 1881 CG1 ILE A 128 -3.888 0.603 4.994 1.00 73.22 C ATOM 1882 CG2 ILE A 128 -2.646 2.801 4.907 1.00 4.42 C ATOM 1883 CD1 ILE A 128 -2.634 -0.253 4.961 1.00 12.05 C ATOM 0 H ILE A 128 -5.924 1.503 2.826 1.00 62.24 H new ATOM 0 HA ILE A 128 -5.371 2.926 5.341 1.00 33.20 H new ATOM 0 HB ILE A 128 -3.489 1.775 3.228 1.00 33.32 H new ATOM 0 HG12 ILE A 128 -4.161 0.786 6.033 1.00 73.22 H new ATOM 0 HG13 ILE A 128 -4.707 0.043 4.544 1.00 73.22 H new ATOM 0 HG21 ILE A 128 -1.706 2.249 4.874 1.00 4.42 H new ATOM 0 HG22 ILE A 128 -2.537 3.736 4.358 1.00 4.42 H new ATOM 0 HG23 ILE A 128 -2.904 3.017 5.944 1.00 4.42 H new ATOM 0 HD11 ILE A 128 -2.816 -1.186 5.494 1.00 12.05 H new ATOM 0 HD12 ILE A 128 -2.370 -0.471 3.926 1.00 12.05 H new ATOM 0 HD13 ILE A 128 -1.815 0.283 5.439 1.00 12.05 H new ATOM 1895 N GLN A 129 -5.205 5.130 4.213 1.00 74.43 N ATOM 1896 CA GLN A 129 -5.110 6.435 3.612 1.00 21.00 C ATOM 1897 C GLN A 129 -3.726 7.008 3.863 1.00 53.22 C ATOM 1898 O GLN A 129 -3.344 7.277 5.010 1.00 23.44 O ATOM 1899 CB GLN A 129 -6.184 7.386 4.164 1.00 14.03 C ATOM 1900 CG GLN A 129 -6.136 8.790 3.559 1.00 22.14 C ATOM 1901 CD GLN A 129 -7.158 9.741 4.160 1.00 11.24 C ATOM 1902 OE1 GLN A 129 -8.245 9.333 4.590 1.00 55.31 O ATOM 1903 NE2 GLN A 129 -6.817 11.004 4.216 1.00 12.32 N ATOM 0 H GLN A 129 -5.456 5.141 5.202 1.00 74.43 H new ATOM 0 HA GLN A 129 -5.277 6.333 2.540 1.00 21.00 H new ATOM 0 HB2 GLN A 129 -7.168 6.954 3.979 1.00 14.03 H new ATOM 0 HB3 GLN A 129 -6.067 7.462 5.245 1.00 14.03 H new ATOM 0 HG2 GLN A 129 -5.138 9.205 3.700 1.00 22.14 H new ATOM 0 HG3 GLN A 129 -6.303 8.720 2.484 1.00 22.14 H new ATOM 0 HE21 GLN A 129 -5.913 11.305 3.852 1.00 12.32 H new ATOM 0 HE22 GLN A 129 -7.455 11.687 4.624 1.00 12.32 H new ATOM 1912 N ILE A 130 -2.984 7.175 2.811 1.00 14.03 N ATOM 1913 CA ILE A 130 -1.669 7.737 2.880 1.00 53.41 C ATOM 1914 C ILE A 130 -1.733 9.207 2.480 1.00 5.14 C ATOM 1915 O ILE A 130 -1.788 9.573 1.278 1.00 43.41 O ATOM 1916 CB ILE A 130 -0.627 6.936 2.024 1.00 45.33 C ATOM 1917 CG1 ILE A 130 -1.164 6.638 0.600 1.00 53.10 C ATOM 1918 CG2 ILE A 130 -0.233 5.646 2.739 1.00 44.53 C ATOM 1919 CD1 ILE A 130 -0.209 5.856 -0.287 1.00 73.40 C ATOM 0 H ILE A 130 -3.278 6.922 1.868 1.00 14.03 H new ATOM 0 HA ILE A 130 -1.314 7.664 3.908 1.00 53.41 H new ATOM 0 HB ILE A 130 0.261 7.557 1.911 1.00 45.33 H new ATOM 0 HG12 ILE A 130 -2.097 6.080 0.687 1.00 53.10 H new ATOM 0 HG13 ILE A 130 -1.402 7.583 0.111 1.00 53.10 H new ATOM 0 HG21 ILE A 130 0.491 5.101 2.133 1.00 44.53 H new ATOM 0 HG22 ILE A 130 0.211 5.886 3.705 1.00 44.53 H new ATOM 0 HG23 ILE A 130 -1.119 5.029 2.890 1.00 44.53 H new ATOM 0 HD11 ILE A 130 -0.668 5.694 -1.262 1.00 73.40 H new ATOM 0 HD12 ILE A 130 0.716 6.419 -0.410 1.00 73.40 H new ATOM 0 HD13 ILE A 130 0.011 4.893 0.175 1.00 73.40 H new ATOM 1931 N GLY A 131 -1.788 10.050 3.497 1.00 12.13 N ATOM 1932 CA GLY A 131 -1.910 11.466 3.301 1.00 24.02 C ATOM 1933 C GLY A 131 -3.308 11.835 2.841 1.00 43.25 C ATOM 1934 O GLY A 131 -4.198 12.114 3.656 1.00 3.21 O ATOM 0 H GLY A 131 -1.749 9.763 4.475 1.00 12.13 H new ATOM 0 HA2 GLY A 131 -1.681 11.986 4.231 1.00 24.02 H new ATOM 0 HA3 GLY A 131 -1.181 11.798 2.562 1.00 24.02 H new ATOM 1938 N LYS A 132 -3.511 11.795 1.555 1.00 53.24 N ATOM 1939 CA LYS A 132 -4.786 12.124 0.960 1.00 63.34 C ATOM 1940 C LYS A 132 -5.336 10.932 0.180 1.00 24.15 C ATOM 1941 O LYS A 132 -6.538 10.706 0.140 1.00 33.34 O ATOM 1942 CB LYS A 132 -4.629 13.322 0.011 1.00 32.52 C ATOM 1943 CG LYS A 132 -5.914 13.728 -0.700 1.00 73.12 C ATOM 1944 CD LYS A 132 -5.650 14.797 -1.731 1.00 2.52 C ATOM 1945 CE LYS A 132 -6.909 15.164 -2.487 1.00 14.51 C ATOM 1946 NZ LYS A 132 -6.645 16.176 -3.528 1.00 40.21 N ATOM 0 H LYS A 132 -2.794 11.532 0.880 1.00 53.24 H new ATOM 0 HA LYS A 132 -5.482 12.379 1.759 1.00 63.34 H new ATOM 0 HB2 LYS A 132 -4.256 14.175 0.579 1.00 32.52 H new ATOM 0 HB3 LYS A 132 -3.873 13.082 -0.737 1.00 32.52 H new ATOM 0 HG2 LYS A 132 -6.358 12.856 -1.181 1.00 73.12 H new ATOM 0 HG3 LYS A 132 -6.637 14.093 0.029 1.00 73.12 H new ATOM 0 HD2 LYS A 132 -5.247 15.684 -1.242 1.00 2.52 H new ATOM 0 HD3 LYS A 132 -4.892 14.448 -2.432 1.00 2.52 H new ATOM 0 HE2 LYS A 132 -7.331 14.270 -2.947 1.00 14.51 H new ATOM 0 HE3 LYS A 132 -7.654 15.546 -1.789 1.00 14.51 H new ATOM 0 HZ1 LYS A 132 -7.530 16.402 -4.025 1.00 40.21 H new ATOM 0 HZ2 LYS A 132 -6.266 17.038 -3.086 1.00 40.21 H new ATOM 0 HZ3 LYS A 132 -5.953 15.802 -4.208 1.00 40.21 H new ATOM 1960 N PHE A 133 -4.450 10.158 -0.399 1.00 5.51 N ATOM 1961 CA PHE A 133 -4.854 9.087 -1.285 1.00 33.42 C ATOM 1962 C PHE A 133 -4.931 7.786 -0.551 1.00 30.04 C ATOM 1963 O PHE A 133 -4.346 7.647 0.518 1.00 44.50 O ATOM 1964 CB PHE A 133 -3.936 9.026 -2.490 1.00 54.51 C ATOM 1965 CG PHE A 133 -4.068 10.247 -3.360 1.00 43.22 C ATOM 1966 CD1 PHE A 133 -5.200 10.431 -4.134 1.00 62.11 C ATOM 1967 CD2 PHE A 133 -3.074 11.204 -3.406 1.00 60.11 C ATOM 1968 CE1 PHE A 133 -5.338 11.545 -4.935 1.00 40.43 C ATOM 1969 CE2 PHE A 133 -3.208 12.319 -4.207 1.00 52.43 C ATOM 1970 CZ PHE A 133 -4.339 12.490 -4.970 1.00 52.12 C ATOM 0 H PHE A 133 -3.442 10.248 -0.274 1.00 5.51 H new ATOM 0 HA PHE A 133 -5.858 9.292 -1.656 1.00 33.42 H new ATOM 0 HB2 PHE A 133 -2.903 8.929 -2.155 1.00 54.51 H new ATOM 0 HB3 PHE A 133 -4.166 8.136 -3.076 1.00 54.51 H new ATOM 0 HD1 PHE A 133 -5.987 9.692 -4.111 1.00 62.11 H new ATOM 0 HD2 PHE A 133 -2.183 11.078 -2.809 1.00 60.11 H new ATOM 0 HE1 PHE A 133 -6.228 11.675 -5.533 1.00 40.43 H new ATOM 0 HE2 PHE A 133 -2.422 13.060 -4.235 1.00 52.43 H new ATOM 0 HZ PHE A 133 -4.443 13.364 -5.595 1.00 52.12 H new ATOM 1980 N ARG A 134 -5.627 6.821 -1.097 1.00 13.12 N ATOM 1981 CA ARG A 134 -5.873 5.631 -0.344 1.00 4.10 C ATOM 1982 C ARG A 134 -5.577 4.352 -1.094 1.00 52.22 C ATOM 1983 O ARG A 134 -5.824 4.216 -2.312 1.00 44.15 O ATOM 1984 CB ARG A 134 -7.272 5.645 0.284 1.00 11.04 C ATOM 1985 CG ARG A 134 -8.441 5.659 -0.688 1.00 41.31 C ATOM 1986 CD ARG A 134 -9.719 5.953 0.067 1.00 10.03 C ATOM 1987 NE ARG A 134 -10.933 5.726 -0.718 1.00 44.54 N ATOM 1988 CZ ARG A 134 -12.119 6.291 -0.448 1.00 52.45 C ATOM 1989 NH1 ARG A 134 -12.209 7.269 0.452 1.00 33.35 N ATOM 1990 NH2 ARG A 134 -13.212 5.879 -1.079 1.00 44.14 N ATOM 0 H ARG A 134 -6.022 6.838 -2.037 1.00 13.12 H new ATOM 0 HA ARG A 134 -5.149 5.637 0.471 1.00 4.10 H new ATOM 0 HB2 ARG A 134 -7.369 4.769 0.925 1.00 11.04 H new ATOM 0 HB3 ARG A 134 -7.350 6.521 0.928 1.00 11.04 H new ATOM 0 HG2 ARG A 134 -8.279 6.413 -1.458 1.00 41.31 H new ATOM 0 HG3 ARG A 134 -8.518 4.697 -1.195 1.00 41.31 H new ATOM 0 HD2 ARG A 134 -9.754 5.330 0.961 1.00 10.03 H new ATOM 0 HD3 ARG A 134 -9.702 6.990 0.402 1.00 10.03 H new ATOM 0 HE ARG A 134 -10.873 5.099 -1.520 1.00 44.54 H new ATOM 0 HH11 ARG A 134 -11.373 7.592 0.940 1.00 33.35 H new ATOM 0 HH12 ARG A 134 -13.114 7.695 0.653 1.00 33.35 H new ATOM 0 HH21 ARG A 134 -13.151 5.132 -1.770 1.00 44.14 H new ATOM 0 HH22 ARG A 134 -14.113 6.310 -0.872 1.00 44.14 H new ATOM 2004 N LEU A 135 -5.040 3.446 -0.350 1.00 71.54 N ATOM 2005 CA LEU A 135 -4.608 2.162 -0.782 1.00 71.31 C ATOM 2006 C LEU A 135 -5.433 1.129 -0.037 1.00 52.23 C ATOM 2007 O LEU A 135 -5.716 1.304 1.130 1.00 2.51 O ATOM 2008 CB LEU A 135 -3.083 2.078 -0.456 1.00 71.03 C ATOM 2009 CG LEU A 135 -2.334 0.735 -0.574 1.00 11.51 C ATOM 2010 CD1 LEU A 135 -0.843 1.015 -0.674 1.00 23.50 C ATOM 2011 CD2 LEU A 135 -2.572 -0.126 0.668 1.00 52.14 C ATOM 0 H LEU A 135 -4.881 3.595 0.646 1.00 71.54 H new ATOM 0 HA LEU A 135 -4.745 1.983 -1.848 1.00 71.31 H new ATOM 0 HB2 LEU A 135 -2.574 2.789 -1.107 1.00 71.03 H new ATOM 0 HB3 LEU A 135 -2.952 2.432 0.567 1.00 71.03 H new ATOM 0 HG LEU A 135 -2.698 0.207 -1.456 1.00 11.51 H new ATOM 0 HD11 LEU A 135 -0.301 0.073 -0.758 1.00 23.50 H new ATOM 0 HD12 LEU A 135 -0.646 1.627 -1.554 1.00 23.50 H new ATOM 0 HD13 LEU A 135 -0.512 1.546 0.218 1.00 23.50 H new ATOM 0 HD21 LEU A 135 -2.035 -1.069 0.565 1.00 52.14 H new ATOM 0 HD22 LEU A 135 -2.212 0.402 1.551 1.00 52.14 H new ATOM 0 HD23 LEU A 135 -3.638 -0.325 0.774 1.00 52.14 H new ATOM 2023 N VAL A 136 -5.833 0.089 -0.691 1.00 64.20 N ATOM 2024 CA VAL A 136 -6.603 -0.935 -0.041 1.00 61.22 C ATOM 2025 C VAL A 136 -5.816 -2.245 -0.029 1.00 72.51 C ATOM 2026 O VAL A 136 -5.228 -2.649 -1.047 1.00 61.33 O ATOM 2027 CB VAL A 136 -8.047 -1.077 -0.649 1.00 71.52 C ATOM 2028 CG1 VAL A 136 -8.020 -1.351 -2.139 1.00 54.23 C ATOM 2029 CG2 VAL A 136 -8.866 -2.132 0.083 1.00 74.24 C ATOM 0 H VAL A 136 -5.642 -0.080 -1.679 1.00 64.20 H new ATOM 0 HA VAL A 136 -6.769 -0.642 0.996 1.00 61.22 H new ATOM 0 HB VAL A 136 -8.536 -0.114 -0.506 1.00 71.52 H new ATOM 0 HG11 VAL A 136 -9.041 -1.441 -2.511 1.00 54.23 H new ATOM 0 HG12 VAL A 136 -7.518 -0.530 -2.651 1.00 54.23 H new ATOM 0 HG13 VAL A 136 -7.482 -2.280 -2.328 1.00 54.23 H new ATOM 0 HG21 VAL A 136 -9.857 -2.200 -0.367 1.00 74.24 H new ATOM 0 HG22 VAL A 136 -8.366 -3.098 0.008 1.00 74.24 H new ATOM 0 HG23 VAL A 136 -8.962 -1.854 1.133 1.00 74.24 H new ATOM 2039 N PHE A 137 -5.758 -2.857 1.125 1.00 71.22 N ATOM 2040 CA PHE A 137 -4.984 -4.063 1.347 1.00 65.23 C ATOM 2041 C PHE A 137 -5.925 -5.260 1.373 1.00 11.51 C ATOM 2042 O PHE A 137 -6.821 -5.327 2.213 1.00 74.34 O ATOM 2043 CB PHE A 137 -4.224 -3.905 2.681 1.00 20.32 C ATOM 2044 CG PHE A 137 -3.356 -5.061 3.103 1.00 41.32 C ATOM 2045 CD1 PHE A 137 -2.218 -5.391 2.396 1.00 73.23 C ATOM 2046 CD2 PHE A 137 -3.664 -5.789 4.235 1.00 73.54 C ATOM 2047 CE1 PHE A 137 -1.410 -6.426 2.806 1.00 12.42 C ATOM 2048 CE2 PHE A 137 -2.860 -6.829 4.650 1.00 12.21 C ATOM 2049 CZ PHE A 137 -1.731 -7.147 3.937 1.00 24.31 C ATOM 0 H PHE A 137 -6.254 -2.530 1.955 1.00 71.22 H new ATOM 0 HA PHE A 137 -4.261 -4.225 0.548 1.00 65.23 H new ATOM 0 HB2 PHE A 137 -3.598 -3.016 2.613 1.00 20.32 H new ATOM 0 HB3 PHE A 137 -4.954 -3.721 3.469 1.00 20.32 H new ATOM 0 HD1 PHE A 137 -1.959 -4.830 1.510 1.00 73.23 H new ATOM 0 HD2 PHE A 137 -4.548 -5.540 4.804 1.00 73.54 H new ATOM 0 HE1 PHE A 137 -0.523 -6.674 2.242 1.00 12.42 H new ATOM 0 HE2 PHE A 137 -3.118 -7.393 5.534 1.00 12.21 H new ATOM 0 HZ PHE A 137 -1.096 -7.959 4.260 1.00 24.31 H new ATOM 2059 N LEU A 138 -5.740 -6.190 0.461 1.00 0.10 N ATOM 2060 CA LEU A 138 -6.641 -7.324 0.351 1.00 40.25 C ATOM 2061 C LEU A 138 -5.937 -8.616 0.679 1.00 22.40 C ATOM 2062 O LEU A 138 -4.742 -8.778 0.402 1.00 64.11 O ATOM 2063 CB LEU A 138 -7.265 -7.458 -1.063 1.00 30.34 C ATOM 2064 CG LEU A 138 -8.141 -6.308 -1.600 1.00 14.55 C ATOM 2065 CD1 LEU A 138 -9.182 -5.858 -0.586 1.00 22.25 C ATOM 2066 CD2 LEU A 138 -7.309 -5.143 -2.122 1.00 32.34 C ATOM 0 H LEU A 138 -4.976 -6.186 -0.215 1.00 0.10 H new ATOM 0 HA LEU A 138 -7.438 -7.135 1.070 1.00 40.25 H new ATOM 0 HB2 LEU A 138 -6.450 -7.610 -1.770 1.00 30.34 H new ATOM 0 HB3 LEU A 138 -7.869 -8.365 -1.073 1.00 30.34 H new ATOM 0 HG LEU A 138 -8.687 -6.708 -2.454 1.00 14.55 H new ATOM 0 HD11 LEU A 138 -9.775 -5.047 -1.009 1.00 22.25 H new ATOM 0 HD12 LEU A 138 -9.836 -6.695 -0.340 1.00 22.25 H new ATOM 0 HD13 LEU A 138 -8.683 -5.509 0.318 1.00 22.25 H new ATOM 0 HD21 LEU A 138 -7.971 -4.359 -2.489 1.00 32.34 H new ATOM 0 HD22 LEU A 138 -6.690 -4.748 -1.316 1.00 32.34 H new ATOM 0 HD23 LEU A 138 -6.670 -5.488 -2.935 1.00 32.34 H new ATOM 2078 N ALA A 139 -6.675 -9.538 1.257 1.00 74.53 N ATOM 2079 CA ALA A 139 -6.161 -10.853 1.538 1.00 31.13 C ATOM 2080 C ALA A 139 -6.261 -11.666 0.276 1.00 63.12 C ATOM 2081 O ALA A 139 -7.359 -11.863 -0.265 1.00 22.11 O ATOM 2082 CB ALA A 139 -6.934 -11.523 2.663 1.00 51.03 C ATOM 0 H ALA A 139 -7.644 -9.395 1.543 1.00 74.53 H new ATOM 0 HA ALA A 139 -5.124 -10.778 1.865 1.00 31.13 H new ATOM 0 HB1 ALA A 139 -6.520 -12.514 2.849 1.00 51.03 H new ATOM 0 HB2 ALA A 139 -6.855 -10.921 3.568 1.00 51.03 H new ATOM 0 HB3 ALA A 139 -7.982 -11.615 2.379 1.00 51.03 H new ATOM 2088 N GLY A 140 -5.141 -12.096 -0.211 1.00 50.24 N ATOM 2089 CA GLY A 140 -5.115 -12.838 -1.430 1.00 31.32 C ATOM 2090 C GLY A 140 -5.161 -14.323 -1.184 1.00 4.23 C ATOM 2091 O GLY A 140 -5.960 -14.799 -0.355 1.00 21.11 O ATOM 0 H GLY A 140 -4.229 -11.945 0.219 1.00 50.24 H new ATOM 0 HA2 GLY A 140 -5.962 -12.546 -2.051 1.00 31.32 H new ATOM 0 HA3 GLY A 140 -4.211 -12.590 -1.987 1.00 31.32 H new ATOM 2095 N PRO A 141 -4.339 -15.091 -1.883 1.00 34.41 N ATOM 2096 CA PRO A 141 -4.294 -16.522 -1.724 1.00 41.21 C ATOM 2097 C PRO A 141 -3.513 -16.939 -0.498 1.00 13.24 C ATOM 2098 O PRO A 141 -2.377 -16.486 -0.277 1.00 61.31 O ATOM 2099 CB PRO A 141 -3.561 -17.020 -2.973 1.00 5.41 C ATOM 2100 CG PRO A 141 -3.324 -15.814 -3.827 1.00 11.43 C ATOM 2101 CD PRO A 141 -3.391 -14.638 -2.911 1.00 12.42 C ATOM 0 HA PRO A 141 -5.297 -16.931 -1.604 1.00 41.21 H new ATOM 0 HB2 PRO A 141 -2.619 -17.499 -2.706 1.00 5.41 H new ATOM 0 HB3 PRO A 141 -4.157 -17.762 -3.504 1.00 5.41 H new ATOM 0 HG2 PRO A 141 -2.353 -15.870 -4.319 1.00 11.43 H new ATOM 0 HG3 PRO A 141 -4.076 -15.739 -4.613 1.00 11.43 H new ATOM 0 HD2 PRO A 141 -2.416 -14.398 -2.487 1.00 12.42 H new ATOM 0 HD3 PRO A 141 -3.745 -13.744 -3.424 1.00 12.42 H new ATOM 2109 N ALA A 142 -4.108 -17.779 0.299 1.00 40.33 N ATOM 2110 CA ALA A 142 -3.408 -18.351 1.394 1.00 42.50 C ATOM 2111 C ALA A 142 -2.857 -19.639 0.866 1.00 45.52 C ATOM 2112 O ALA A 142 -3.571 -20.643 0.727 1.00 4.53 O ATOM 2113 CB ALA A 142 -4.338 -18.585 2.585 1.00 23.31 C ATOM 0 H ALA A 142 -5.078 -18.079 0.204 1.00 40.33 H new ATOM 0 HA ALA A 142 -2.620 -17.695 1.765 1.00 42.50 H new ATOM 0 HB1 ALA A 142 -3.773 -19.024 3.407 1.00 23.31 H new ATOM 0 HB2 ALA A 142 -4.766 -17.635 2.905 1.00 23.31 H new ATOM 0 HB3 ALA A 142 -5.139 -19.264 2.293 1.00 23.31 H new ATOM 2119 N GLU A 143 -1.615 -19.624 0.570 1.00 53.43 N ATOM 2120 CA GLU A 143 -1.007 -20.694 -0.123 1.00 21.23 C ATOM 2121 C GLU A 143 0.267 -21.063 0.581 1.00 33.45 C ATOM 2122 O GLU A 143 1.312 -20.461 0.290 1.00 37.73 O ATOM 2123 CB GLU A 143 -0.763 -20.237 -1.562 1.00 73.43 C ATOM 2124 CG GLU A 143 -0.170 -21.266 -2.491 1.00 43.34 C ATOM 2125 CD GLU A 143 0.086 -20.684 -3.844 1.00 61.23 C ATOM 2126 OE1 GLU A 143 1.131 -20.011 -4.030 1.00 64.32 O ATOM 2127 OE2 GLU A 143 -0.746 -20.860 -4.753 1.00 21.13 O ATOM 2128 OXT GLU A 143 0.213 -21.928 1.467 1.00 37.73 O ATOM 0 H GLU A 143 -0.982 -18.859 0.804 1.00 53.43 H new ATOM 0 HA GLU A 143 -1.639 -21.582 -0.143 1.00 21.23 H new ATOM 0 HB2 GLU A 143 -1.712 -19.902 -1.981 1.00 73.43 H new ATOM 0 HB3 GLU A 143 -0.101 -19.372 -1.540 1.00 73.43 H new ATOM 0 HG2 GLU A 143 0.762 -21.645 -2.072 1.00 43.34 H new ATOM 0 HG3 GLU A 143 -0.848 -22.115 -2.579 1.00 43.34 H new TER 2135 GLU A 143