USER MOD reduce.3.24.130724 H: found=0, std=0, add=1141, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1137 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 53 ASN : amide:sc= 0.331 K(o=0.8,f=-0.12) USER MOD Set 1.2: A 99 THR OG1 : rot -52:sc= 0.471 USER MOD Set 2.1: A 80 SER OG : rot -168:sc= 1.53 USER MOD Set 2.2: A 101 THR OG1 : rot 125:sc= 0.918 USER MOD Set 3.1: A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 75 MET CE :methyl -168:sc= 0 (180deg=-0.0363) USER MOD Set 4.1: A 55 SER OG : rot 180:sc= 0.709 USER MOD Set 4.2: A 57 GLN : amide:sc= 0.802 K(o=1.5,f=0.6) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 152:sc= 1.31 (180deg=0.552) USER MOD Single : A 3 HIS : no HD1:sc= -0.19 X(o=-0.19,f=-0.00081) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HE2:sc= 0.133 K(o=0.13,f=-1.7) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.6) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -3.82! K(o=-3.8!,f=-0.83) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -32:sc= 0.543 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00308 USER MOD Single : A 48 TYR OH : rot -24:sc=9.23e-05 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 44:sc= 0.0115 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 106:sc= 0.962 USER MOD Single : A 70 THR OG1 : rot 90:sc= 1.24 USER MOD Single : A 71 SER OG : rot 14:sc= 0.607 USER MOD Single : A 76 THR OG1 : rot 92:sc= 1.25 USER MOD Single : A 77 THR OG1 : rot -51:sc= 0.837 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0549 USER MOD Single : A 79 HIS : no HE2:sc= -0.166 X(o=-0.17,f=-0.5) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl -174:sc= 0 (180deg=-0.0607) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -1.21 K(o=-1.2,f=-0.067) USER MOD Single : A 108 HIS : no HE2:sc= 1 K(o=1,f=-3.5!) USER MOD Single : A 110 MET CE :methyl 164:sc= -0.0451 (180deg=-0.375) USER MOD Single : A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc=7.87e-05 USER MOD Single : A 125 ASN : amide:sc=-0.000426 X(o=-0.00043,f=-0.07) USER MOD Single : A 127 THR OG1 : rot 180:sc= -0.0142 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot 180:sc=-0.00117 USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 ASN : amide:sc= 0.516 K(o=0.52,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.555 65.844 -14.261 1.00 64.49 N ATOM 2 CA MET A 1 -10.687 66.206 -15.401 1.00 64.56 C ATOM 3 C MET A 1 -10.373 64.971 -16.241 1.00 63.64 C ATOM 4 O MET A 1 -11.017 64.757 -17.268 1.00 63.78 O ATOM 5 CB MET A 1 -9.411 66.959 -14.976 1.00 64.94 C ATOM 6 CG MET A 1 -9.700 68.307 -14.301 1.00 65.77 C ATOM 7 SD MET A 1 -10.312 68.209 -12.594 1.00 66.28 S ATOM 8 CE MET A 1 -8.780 67.816 -11.701 1.00 66.43 C ATOM 0 H1 MET A 1 -11.388 66.504 -13.474 1.00 64.49 H new ATOM 0 H2 MET A 1 -12.552 65.898 -14.553 1.00 64.49 H new ATOM 0 H3 MET A 1 -11.337 64.875 -13.952 1.00 64.49 H new ATOM 0 HA MET A 1 -11.243 66.911 -16.020 1.00 64.56 H new ATOM 0 HB2 MET A 1 -8.838 66.333 -14.292 1.00 64.94 H new ATOM 0 HB3 MET A 1 -8.786 67.126 -15.853 1.00 64.94 H new ATOM 0 HG2 MET A 1 -8.786 68.901 -14.308 1.00 65.77 H new ATOM 0 HG3 MET A 1 -10.434 68.845 -14.902 1.00 65.77 H new ATOM 0 HE1 MET A 1 -8.993 67.724 -10.636 1.00 66.43 H new ATOM 0 HE2 MET A 1 -8.373 66.875 -12.073 1.00 66.43 H new ATOM 0 HE3 MET A 1 -8.053 68.613 -11.858 1.00 66.43 H new ATOM 20 N GLY A 2 -9.391 64.167 -15.805 1.00 62.78 N ATOM 21 CA GLY A 2 -8.933 62.944 -16.470 1.00 61.89 C ATOM 22 C GLY A 2 -7.444 62.696 -16.229 1.00 61.09 C ATOM 23 O GLY A 2 -6.600 63.264 -16.910 1.00 61.53 O ATOM 0 H GLY A 2 -8.876 64.361 -14.946 1.00 62.78 H new ATOM 0 HA2 GLY A 2 -9.508 62.093 -16.104 1.00 61.89 H new ATOM 0 HA3 GLY A 2 -9.121 63.019 -17.541 1.00 61.89 H new ATOM 27 N HIS A 3 -7.115 61.832 -15.274 1.00 59.96 N ATOM 28 CA HIS A 3 -5.770 61.304 -15.045 1.00 59.05 C ATOM 29 C HIS A 3 -5.977 59.833 -14.673 1.00 57.75 C ATOM 30 O HIS A 3 -6.747 59.554 -13.758 1.00 57.45 O ATOM 31 CB HIS A 3 -5.081 62.106 -13.923 1.00 59.19 C ATOM 32 CG HIS A 3 -3.610 61.807 -13.717 1.00 58.98 C ATOM 33 ND1 HIS A 3 -2.604 62.747 -13.642 1.00 59.17 N ATOM 34 CD2 HIS A 3 -3.025 60.585 -13.495 1.00 58.65 C ATOM 35 CE1 HIS A 3 -1.447 62.100 -13.406 1.00 58.97 C ATOM 36 NE2 HIS A 3 -1.647 60.770 -13.317 1.00 58.65 N ATOM 0 H HIS A 3 -7.801 61.466 -14.613 1.00 59.96 H new ATOM 0 HA HIS A 3 -5.120 61.389 -15.916 1.00 59.05 H new ATOM 0 HB2 HIS A 3 -5.191 63.169 -14.139 1.00 59.19 H new ATOM 0 HB3 HIS A 3 -5.607 61.915 -12.988 1.00 59.19 H new ATOM 0 HD2 HIS A 3 -3.542 59.637 -13.463 1.00 58.65 H new ATOM 0 HE1 HIS A 3 -0.486 62.583 -13.302 1.00 58.97 H new ATOM 0 HE2 HIS A 3 -0.943 60.050 -13.154 1.00 58.65 H new ATOM 44 N THR A 4 -5.368 58.886 -15.395 1.00 57.04 N ATOM 45 CA THR A 4 -5.696 57.459 -15.269 1.00 55.85 C ATOM 46 C THR A 4 -4.561 56.601 -15.791 1.00 55.08 C ATOM 47 O THR A 4 -3.919 56.944 -16.779 1.00 55.61 O ATOM 48 CB THR A 4 -7.047 57.151 -15.931 1.00 55.98 C ATOM 49 OG1 THR A 4 -7.398 55.819 -15.633 1.00 55.41 O ATOM 50 CG2 THR A 4 -7.067 57.313 -17.453 1.00 56.40 C ATOM 0 H THR A 4 -4.638 59.084 -16.079 1.00 57.04 H new ATOM 0 HA THR A 4 -5.809 57.209 -14.214 1.00 55.85 H new ATOM 0 HB THR A 4 -7.751 57.880 -15.530 1.00 55.98 H new ATOM 0 HG1 THR A 4 -8.260 55.607 -16.048 1.00 55.41 H new ATOM 0 HG21 THR A 4 -8.061 57.074 -17.831 1.00 56.40 H new ATOM 0 HG22 THR A 4 -6.817 58.342 -17.713 1.00 56.40 H new ATOM 0 HG23 THR A 4 -6.337 56.638 -17.900 1.00 56.40 H new ATOM 58 N MET A 5 -4.285 55.498 -15.097 1.00 53.90 N ATOM 59 CA MET A 5 -3.144 54.619 -15.367 1.00 53.07 C ATOM 60 C MET A 5 -3.332 53.264 -14.662 1.00 51.78 C ATOM 61 O MET A 5 -3.022 53.163 -13.467 1.00 51.27 O ATOM 62 CB MET A 5 -1.829 55.311 -14.951 1.00 53.09 C ATOM 63 CG MET A 5 -0.600 54.576 -15.497 1.00 52.84 C ATOM 64 SD MET A 5 0.954 55.356 -15.003 1.00 53.14 S ATOM 65 CE MET A 5 2.079 54.503 -16.135 1.00 53.19 C ATOM 0 H MET A 5 -4.859 55.182 -14.315 1.00 53.90 H new ATOM 0 HA MET A 5 -3.087 54.422 -16.438 1.00 53.07 H new ATOM 0 HB2 MET A 5 -1.829 56.339 -15.314 1.00 53.09 H new ATOM 0 HB3 MET A 5 -1.771 55.357 -13.864 1.00 53.09 H new ATOM 0 HG2 MET A 5 -0.612 53.544 -15.145 1.00 52.84 H new ATOM 0 HG3 MET A 5 -0.655 54.542 -16.585 1.00 52.84 H new ATOM 0 HE1 MET A 5 3.096 54.859 -15.974 1.00 53.19 H new ATOM 0 HE2 MET A 5 2.037 53.430 -15.950 1.00 53.19 H new ATOM 0 HE3 MET A 5 1.782 54.706 -17.164 1.00 53.19 H new ATOM 75 N PRO A 6 -3.867 52.244 -15.366 1.00 51.32 N ATOM 76 CA PRO A 6 -3.921 50.878 -14.871 1.00 50.13 C ATOM 77 C PRO A 6 -2.566 50.195 -15.100 1.00 49.29 C ATOM 78 O PRO A 6 -1.975 50.301 -16.178 1.00 49.72 O ATOM 79 CB PRO A 6 -5.041 50.204 -15.666 1.00 50.24 C ATOM 80 CG PRO A 6 -5.002 50.922 -17.015 1.00 51.21 C ATOM 81 CD PRO A 6 -4.535 52.337 -16.662 1.00 52.03 C ATOM 0 HA PRO A 6 -4.120 50.821 -13.801 1.00 50.13 H new ATOM 0 HB2 PRO A 6 -4.867 49.134 -15.776 1.00 50.24 H new ATOM 0 HB3 PRO A 6 -6.008 50.322 -15.176 1.00 50.24 H new ATOM 0 HG2 PRO A 6 -4.315 50.435 -17.708 1.00 51.21 H new ATOM 0 HG3 PRO A 6 -5.982 50.931 -17.492 1.00 51.21 H new ATOM 0 HD2 PRO A 6 -3.855 52.722 -17.422 1.00 52.03 H new ATOM 0 HD3 PRO A 6 -5.380 53.023 -16.614 1.00 52.03 H new ATOM 89 N ALA A 7 -2.086 49.471 -14.088 1.00 48.17 N ATOM 90 CA ALA A 7 -0.819 48.740 -14.118 1.00 47.27 C ATOM 91 C ALA A 7 -0.942 47.453 -13.291 1.00 45.99 C ATOM 92 O ALA A 7 -1.274 47.509 -12.105 1.00 45.65 O ATOM 93 CB ALA A 7 0.301 49.651 -13.588 1.00 47.25 C ATOM 0 H ALA A 7 -2.581 49.374 -13.201 1.00 48.17 H new ATOM 0 HA ALA A 7 -0.573 48.453 -15.140 1.00 47.27 H new ATOM 0 HB1 ALA A 7 1.248 49.112 -13.608 1.00 47.25 H new ATOM 0 HB2 ALA A 7 0.376 50.539 -14.216 1.00 47.25 H new ATOM 0 HB3 ALA A 7 0.074 49.949 -12.564 1.00 47.25 H new ATOM 99 N HIS A 8 -0.706 46.300 -13.923 1.00 45.35 N ATOM 100 CA HIS A 8 -1.015 44.989 -13.337 1.00 44.16 C ATOM 101 C HIS A 8 -0.115 43.851 -13.884 1.00 43.56 C ATOM 102 O HIS A 8 -0.495 42.677 -13.853 1.00 43.66 O ATOM 103 CB HIS A 8 -2.520 44.717 -13.536 1.00 44.31 C ATOM 104 CG HIS A 8 -3.089 43.805 -12.488 1.00 43.76 C ATOM 105 ND1 HIS A 8 -2.811 42.469 -12.337 1.00 43.50 N ATOM 106 CD2 HIS A 8 -3.919 44.163 -11.465 1.00 43.54 C ATOM 107 CE1 HIS A 8 -3.457 42.025 -11.248 1.00 43.12 C ATOM 108 NE2 HIS A 8 -4.143 43.025 -10.677 1.00 43.12 N ATOM 0 H HIS A 8 -0.295 46.247 -14.855 1.00 45.35 H new ATOM 0 HA HIS A 8 -0.791 45.011 -12.270 1.00 44.16 H new ATOM 0 HB2 HIS A 8 -3.061 45.663 -13.520 1.00 44.31 H new ATOM 0 HB3 HIS A 8 -2.678 44.276 -14.520 1.00 44.31 H new ATOM 0 HD1 HIS A 8 -2.216 41.910 -12.948 1.00 43.50 H new ATOM 0 HD2 HIS A 8 -4.330 45.147 -11.293 1.00 43.54 H new ATOM 0 HE1 HIS A 8 -3.428 41.009 -10.884 1.00 43.12 H new ATOM 116 N THR A 9 1.065 44.191 -14.417 1.00 43.06 N ATOM 117 CA THR A 9 2.038 43.235 -14.962 1.00 42.54 C ATOM 118 C THR A 9 2.757 42.521 -13.801 1.00 41.48 C ATOM 119 O THR A 9 3.416 43.211 -13.022 1.00 41.37 O ATOM 120 CB THR A 9 3.030 43.968 -15.872 1.00 42.84 C ATOM 121 OG1 THR A 9 2.298 44.648 -16.874 1.00 42.92 O ATOM 122 CG2 THR A 9 4.013 43.009 -16.548 1.00 42.60 C ATOM 0 H THR A 9 1.377 45.160 -14.483 1.00 43.06 H new ATOM 0 HA THR A 9 1.527 42.482 -15.562 1.00 42.54 H new ATOM 0 HB THR A 9 3.608 44.658 -15.257 1.00 42.84 H new ATOM 0 HG1 THR A 9 2.918 45.125 -17.465 1.00 42.92 H new ATOM 0 HG21 THR A 9 4.695 43.575 -17.182 1.00 42.60 H new ATOM 0 HG22 THR A 9 4.583 42.476 -15.787 1.00 42.60 H new ATOM 0 HG23 THR A 9 3.462 42.292 -17.157 1.00 42.60 H new ATOM 130 N PRO A 10 2.631 41.184 -13.657 1.00 40.80 N ATOM 131 CA PRO A 10 3.172 40.442 -12.520 1.00 39.80 C ATOM 132 C PRO A 10 4.687 40.184 -12.659 1.00 39.22 C ATOM 133 O PRO A 10 5.222 40.300 -13.765 1.00 39.45 O ATOM 134 CB PRO A 10 2.381 39.126 -12.503 1.00 39.44 C ATOM 135 CG PRO A 10 2.091 38.879 -13.980 1.00 40.07 C ATOM 136 CD PRO A 10 1.867 40.290 -14.519 1.00 41.06 C ATOM 0 HA PRO A 10 3.067 41.002 -11.591 1.00 39.80 H new ATOM 0 HB2 PRO A 10 2.960 38.313 -12.064 1.00 39.44 H new ATOM 0 HB3 PRO A 10 1.464 39.214 -11.921 1.00 39.44 H new ATOM 0 HG2 PRO A 10 2.924 38.383 -14.479 1.00 40.07 H new ATOM 0 HG3 PRO A 10 1.213 38.248 -14.120 1.00 40.07 H new ATOM 0 HD2 PRO A 10 2.201 40.368 -15.554 1.00 41.06 H new ATOM 0 HD3 PRO A 10 0.808 40.548 -14.505 1.00 41.06 H new ATOM 144 N PRO A 11 5.378 39.771 -11.574 1.00 38.56 N ATOM 145 CA PRO A 11 6.784 39.358 -11.598 1.00 38.04 C ATOM 146 C PRO A 11 6.924 37.966 -12.243 1.00 37.39 C ATOM 147 O PRO A 11 7.152 36.955 -11.578 1.00 37.33 O ATOM 148 CB PRO A 11 7.242 39.421 -10.135 1.00 37.76 C ATOM 149 CG PRO A 11 5.971 39.082 -9.359 1.00 37.72 C ATOM 150 CD PRO A 11 4.867 39.713 -10.207 1.00 38.42 C ATOM 0 HA PRO A 11 7.416 40.002 -12.209 1.00 38.04 H new ATOM 0 HB2 PRO A 11 8.041 38.708 -9.932 1.00 37.76 H new ATOM 0 HB3 PRO A 11 7.622 40.409 -9.874 1.00 37.76 H new ATOM 0 HG2 PRO A 11 5.836 38.005 -9.258 1.00 37.72 H new ATOM 0 HG3 PRO A 11 5.992 39.497 -8.351 1.00 37.72 H new ATOM 0 HD2 PRO A 11 3.954 39.120 -10.159 1.00 38.42 H new ATOM 0 HD3 PRO A 11 4.619 40.710 -9.842 1.00 38.42 H new ATOM 158 N ALA A 12 6.750 37.915 -13.569 1.00 37.00 N ATOM 159 CA ALA A 12 6.627 36.694 -14.365 1.00 36.42 C ATOM 160 C ALA A 12 7.973 35.960 -14.564 1.00 35.89 C ATOM 161 O ALA A 12 8.582 36.025 -15.636 1.00 36.36 O ATOM 162 CB ALA A 12 5.945 37.074 -15.687 1.00 36.84 C ATOM 0 H ALA A 12 6.689 38.760 -14.137 1.00 37.00 H new ATOM 0 HA ALA A 12 6.016 35.966 -13.831 1.00 36.42 H new ATOM 0 HB1 ALA A 12 5.836 36.185 -16.309 1.00 36.84 H new ATOM 0 HB2 ALA A 12 4.961 37.496 -15.481 1.00 36.84 H new ATOM 0 HB3 ALA A 12 6.553 37.811 -16.211 1.00 36.84 H new ATOM 168 N GLN A 13 8.440 35.264 -13.521 1.00 35.02 N ATOM 169 CA GLN A 13 9.736 34.577 -13.486 1.00 34.55 C ATOM 170 C GLN A 13 9.804 33.537 -12.343 1.00 33.60 C ATOM 171 O GLN A 13 10.790 33.494 -11.609 1.00 34.05 O ATOM 172 CB GLN A 13 10.859 35.648 -13.434 1.00 34.98 C ATOM 173 CG GLN A 13 12.282 35.106 -13.684 1.00 35.51 C ATOM 174 CD GLN A 13 13.202 36.142 -14.329 1.00 36.55 C ATOM 175 OE1 GLN A 13 13.702 35.957 -15.428 1.00 37.05 O ATOM 176 NE2 GLN A 13 13.430 37.291 -13.718 1.00 37.04 N ATOM 0 H GLN A 13 7.912 35.160 -12.654 1.00 35.02 H new ATOM 0 HA GLN A 13 9.877 33.989 -14.393 1.00 34.55 H new ATOM 0 HB2 GLN A 13 10.643 36.417 -14.176 1.00 34.98 H new ATOM 0 HB3 GLN A 13 10.836 36.131 -12.457 1.00 34.98 H new ATOM 0 HG2 GLN A 13 12.714 34.781 -12.738 1.00 35.51 H new ATOM 0 HG3 GLN A 13 12.224 34.227 -14.326 1.00 35.51 H new ATOM 0 HE21 GLN A 13 13.024 37.470 -12.800 1.00 37.04 H new ATOM 0 HE22 GLN A 13 14.012 37.999 -14.165 1.00 37.04 H new ATOM 185 N THR A 14 8.756 32.714 -12.149 1.00 32.37 N ATOM 186 CA THR A 14 8.672 31.736 -11.044 1.00 31.36 C ATOM 187 C THR A 14 7.729 30.580 -11.377 1.00 30.18 C ATOM 188 O THR A 14 6.707 30.773 -12.034 1.00 30.04 O ATOM 189 CB THR A 14 8.299 32.439 -9.729 1.00 31.28 C ATOM 190 OG1 THR A 14 8.281 31.496 -8.677 1.00 30.88 O ATOM 191 CG2 THR A 14 6.937 33.143 -9.769 1.00 30.82 C ATOM 0 H THR A 14 7.938 32.708 -12.758 1.00 32.37 H new ATOM 0 HA THR A 14 9.658 31.291 -10.909 1.00 31.36 H new ATOM 0 HB THR A 14 9.057 33.206 -9.571 1.00 31.28 H new ATOM 0 HG1 THR A 14 8.045 31.945 -7.839 1.00 30.88 H new ATOM 0 HG21 THR A 14 6.743 33.616 -8.806 1.00 30.82 H new ATOM 0 HG22 THR A 14 6.943 33.902 -10.551 1.00 30.82 H new ATOM 0 HG23 THR A 14 6.156 32.412 -9.978 1.00 30.82 H new ATOM 199 N ALA A 15 8.088 29.377 -10.921 1.00 29.46 N ATOM 200 CA ALA A 15 7.370 28.118 -11.147 1.00 28.40 C ATOM 201 C ALA A 15 7.922 27.021 -10.207 1.00 27.73 C ATOM 202 O ALA A 15 9.064 26.593 -10.420 1.00 28.14 O ATOM 203 CB ALA A 15 7.507 27.708 -12.628 1.00 28.78 C ATOM 0 H ALA A 15 8.928 29.247 -10.357 1.00 29.46 H new ATOM 0 HA ALA A 15 6.312 28.250 -10.923 1.00 28.40 H new ATOM 0 HB1 ALA A 15 6.974 26.772 -12.797 1.00 28.78 H new ATOM 0 HB2 ALA A 15 7.083 28.487 -13.262 1.00 28.78 H new ATOM 0 HB3 ALA A 15 8.561 27.574 -12.873 1.00 28.78 H new ATOM 209 N PRO A 16 7.162 26.576 -9.181 1.00 26.88 N ATOM 210 CA PRO A 16 7.601 25.526 -8.268 1.00 26.34 C ATOM 211 C PRO A 16 7.453 24.147 -8.926 1.00 25.62 C ATOM 212 O PRO A 16 8.446 23.544 -9.313 1.00 26.16 O ATOM 213 CB PRO A 16 6.763 25.715 -6.997 1.00 25.97 C ATOM 214 CG PRO A 16 5.472 26.374 -7.484 1.00 25.78 C ATOM 215 CD PRO A 16 5.908 27.167 -8.718 1.00 26.62 C ATOM 0 HA PRO A 16 8.659 25.588 -8.015 1.00 26.34 H new ATOM 0 HB2 PRO A 16 6.562 24.761 -6.509 1.00 25.97 H new ATOM 0 HB3 PRO A 16 7.279 26.343 -6.271 1.00 25.97 H new ATOM 0 HG2 PRO A 16 4.714 25.632 -7.733 1.00 25.78 H new ATOM 0 HG3 PRO A 16 5.043 27.024 -6.722 1.00 25.78 H new ATOM 0 HD2 PRO A 16 5.147 27.118 -9.497 1.00 26.62 H new ATOM 0 HD3 PRO A 16 6.045 28.220 -8.472 1.00 26.62 H new ATOM 223 N ALA A 17 6.215 23.658 -9.073 1.00 24.52 N ATOM 224 CA ALA A 17 5.860 22.377 -9.693 1.00 23.82 C ATOM 225 C ALA A 17 4.365 22.389 -10.080 1.00 22.55 C ATOM 226 O ALA A 17 3.596 21.539 -9.634 1.00 22.37 O ATOM 227 CB ALA A 17 6.223 21.240 -8.719 1.00 24.02 C ATOM 0 H ALA A 17 5.395 24.170 -8.747 1.00 24.52 H new ATOM 0 HA ALA A 17 6.421 22.213 -10.613 1.00 23.82 H new ATOM 0 HB1 ALA A 17 5.964 20.281 -9.167 1.00 24.02 H new ATOM 0 HB2 ALA A 17 7.293 21.267 -8.511 1.00 24.02 H new ATOM 0 HB3 ALA A 17 5.669 21.367 -7.789 1.00 24.02 H new ATOM 233 N ALA A 18 3.947 23.447 -10.795 1.00 21.80 N ATOM 234 CA ALA A 18 2.556 23.854 -11.072 1.00 20.59 C ATOM 235 C ALA A 18 1.759 24.237 -9.795 1.00 19.22 C ATOM 236 O ALA A 18 2.159 23.928 -8.674 1.00 19.39 O ATOM 237 CB ALA A 18 1.842 22.794 -11.932 1.00 20.85 C ATOM 0 H ALA A 18 4.617 24.085 -11.225 1.00 21.80 H new ATOM 0 HA ALA A 18 2.600 24.776 -11.652 1.00 20.59 H new ATOM 0 HB1 ALA A 18 0.818 23.112 -12.125 1.00 20.85 H new ATOM 0 HB2 ALA A 18 2.370 22.677 -12.878 1.00 20.85 H new ATOM 0 HB3 ALA A 18 1.832 21.842 -11.402 1.00 20.85 H new ATOM 243 N GLN A 19 0.631 24.937 -9.955 1.00 18.07 N ATOM 244 CA GLN A 19 -0.169 25.470 -8.840 1.00 16.86 C ATOM 245 C GLN A 19 -1.573 25.838 -9.344 1.00 15.73 C ATOM 246 O GLN A 19 -1.885 27.002 -9.589 1.00 15.70 O ATOM 247 CB GLN A 19 0.600 26.629 -8.147 1.00 17.26 C ATOM 248 CG GLN A 19 0.162 26.955 -6.700 1.00 16.93 C ATOM 249 CD GLN A 19 1.206 27.799 -5.934 1.00 17.58 C ATOM 250 OE1 GLN A 19 2.242 28.180 -6.451 1.00 18.13 O ATOM 251 NE2 GLN A 19 1.012 28.121 -4.675 1.00 17.81 N ATOM 0 H GLN A 19 0.241 25.154 -10.872 1.00 18.07 H new ATOM 0 HA GLN A 19 -0.319 24.716 -8.067 1.00 16.86 H new ATOM 0 HB2 GLN A 19 1.662 26.382 -8.139 1.00 17.26 H new ATOM 0 HB3 GLN A 19 0.487 27.528 -8.752 1.00 17.26 H new ATOM 0 HG2 GLN A 19 -0.786 27.493 -6.725 1.00 16.93 H new ATOM 0 HG3 GLN A 19 -0.013 26.025 -6.160 1.00 16.93 H new ATOM 0 HE21 GLN A 19 0.160 27.825 -4.198 1.00 17.81 H new ATOM 0 HE22 GLN A 19 1.713 28.667 -4.174 1.00 17.81 H new ATOM 260 N LYS A 20 -2.436 24.832 -9.535 1.00 15.03 N ATOM 261 CA LYS A 20 -3.851 24.983 -9.926 1.00 14.07 C ATOM 262 C LYS A 20 -4.717 23.870 -9.294 1.00 13.14 C ATOM 263 O LYS A 20 -4.203 22.789 -9.017 1.00 13.36 O ATOM 264 CB LYS A 20 -3.977 25.038 -11.467 1.00 14.75 C ATOM 265 CG LYS A 20 -3.795 23.679 -12.177 1.00 15.33 C ATOM 266 CD LYS A 20 -3.838 23.796 -13.710 1.00 16.79 C ATOM 267 CE LYS A 20 -2.514 24.331 -14.261 1.00 17.94 C ATOM 268 NZ LYS A 20 -2.584 24.650 -15.707 1.00 19.40 N ATOM 0 H LYS A 20 -2.163 23.856 -9.419 1.00 15.03 H new ATOM 0 HA LYS A 20 -4.232 25.928 -9.539 1.00 14.07 H new ATOM 0 HB2 LYS A 20 -4.958 25.439 -11.724 1.00 14.75 H new ATOM 0 HB3 LYS A 20 -3.236 25.737 -11.854 1.00 14.75 H new ATOM 0 HG2 LYS A 20 -2.842 23.243 -11.877 1.00 15.33 H new ATOM 0 HG3 LYS A 20 -4.577 22.995 -11.847 1.00 15.33 H new ATOM 0 HD2 LYS A 20 -4.049 22.820 -14.146 1.00 16.79 H new ATOM 0 HD3 LYS A 20 -4.652 24.459 -14.004 1.00 16.79 H new ATOM 0 HE2 LYS A 20 -2.231 25.227 -13.709 1.00 17.94 H new ATOM 0 HE3 LYS A 20 -1.730 23.592 -14.093 1.00 17.94 H new ATOM 0 HZ1 LYS A 20 -1.662 25.008 -16.029 1.00 19.40 H new ATOM 0 HZ2 LYS A 20 -2.827 23.791 -16.241 1.00 19.40 H new ATOM 0 HZ3 LYS A 20 -3.312 25.375 -15.868 1.00 19.40 H new ATOM 282 N ALA A 21 -6.005 24.137 -9.054 1.00 12.37 N ATOM 283 CA ALA A 21 -6.937 23.222 -8.380 1.00 11.55 C ATOM 284 C ALA A 21 -8.362 23.307 -8.961 1.00 11.00 C ATOM 285 O ALA A 21 -8.670 24.236 -9.714 1.00 11.28 O ATOM 286 CB ALA A 21 -6.913 23.546 -6.879 1.00 11.45 C ATOM 0 H ALA A 21 -6.441 25.017 -9.329 1.00 12.37 H new ATOM 0 HA ALA A 21 -6.619 22.193 -8.544 1.00 11.55 H new ATOM 0 HB1 ALA A 21 -7.597 22.881 -6.352 1.00 11.45 H new ATOM 0 HB2 ALA A 21 -5.903 23.408 -6.493 1.00 11.45 H new ATOM 0 HB3 ALA A 21 -7.222 24.580 -6.725 1.00 11.45 H new ATOM 292 N GLY A 22 -9.202 22.332 -8.595 1.00 10.52 N ATOM 293 CA GLY A 22 -10.589 22.187 -9.047 1.00 10.15 C ATOM 294 C GLY A 22 -11.012 20.719 -9.169 1.00 9.50 C ATOM 295 O GLY A 22 -10.276 19.923 -9.755 1.00 9.89 O ATOM 0 H GLY A 22 -8.922 21.593 -7.950 1.00 10.52 H new ATOM 0 HA2 GLY A 22 -11.252 22.697 -8.347 1.00 10.15 H new ATOM 0 HA3 GLY A 22 -10.707 22.678 -10.013 1.00 10.15 H new ATOM 299 N ALA A 23 -12.196 20.414 -8.614 1.00 8.81 N ATOM 300 CA ALA A 23 -12.829 19.096 -8.419 1.00 8.17 C ATOM 301 C ALA A 23 -12.285 18.339 -7.182 1.00 7.28 C ATOM 302 O ALA A 23 -11.202 18.646 -6.682 1.00 7.54 O ATOM 303 CB ALA A 23 -12.785 18.254 -9.706 1.00 9.01 C ATOM 0 H ALA A 23 -12.795 21.157 -8.254 1.00 8.81 H new ATOM 0 HA ALA A 23 -13.880 19.281 -8.198 1.00 8.17 H new ATOM 0 HB1 ALA A 23 -13.260 17.290 -9.526 1.00 9.01 H new ATOM 0 HB2 ALA A 23 -13.316 18.777 -10.501 1.00 9.01 H new ATOM 0 HB3 ALA A 23 -11.748 18.098 -10.003 1.00 9.01 H new ATOM 309 N GLN A 24 -13.051 17.351 -6.699 1.00 6.85 N ATOM 310 CA GLN A 24 -12.774 16.524 -5.509 1.00 6.61 C ATOM 311 C GLN A 24 -13.817 15.411 -5.312 1.00 6.28 C ATOM 312 O GLN A 24 -13.455 14.281 -4.981 1.00 6.82 O ATOM 313 CB GLN A 24 -12.608 17.366 -4.212 1.00 6.96 C ATOM 314 CG GLN A 24 -13.820 18.186 -3.719 1.00 7.65 C ATOM 315 CD GLN A 24 -14.111 19.427 -4.559 1.00 8.21 C ATOM 316 OE1 GLN A 24 -14.811 19.378 -5.558 1.00 8.41 O ATOM 317 NE2 GLN A 24 -13.577 20.572 -4.196 1.00 9.04 N ATOM 0 H GLN A 24 -13.928 17.091 -7.150 1.00 6.85 H new ATOM 0 HA GLN A 24 -11.814 16.046 -5.706 1.00 6.61 H new ATOM 0 HB2 GLN A 24 -12.315 16.689 -3.410 1.00 6.96 H new ATOM 0 HB3 GLN A 24 -11.778 18.056 -4.366 1.00 6.96 H new ATOM 0 HG2 GLN A 24 -14.702 17.546 -3.717 1.00 7.65 H new ATOM 0 HG3 GLN A 24 -13.644 18.491 -2.687 1.00 7.65 H new ATOM 0 HE21 GLN A 24 -12.991 20.620 -3.362 1.00 9.04 H new ATOM 0 HE22 GLN A 24 -13.749 21.412 -4.748 1.00 9.04 H new ATOM 326 N ALA A 25 -15.110 15.692 -5.517 1.00 5.79 N ATOM 327 CA ALA A 25 -16.175 14.691 -5.440 1.00 5.65 C ATOM 328 C ALA A 25 -16.347 13.993 -6.800 1.00 5.18 C ATOM 329 O ALA A 25 -16.818 14.611 -7.751 1.00 5.63 O ATOM 330 CB ALA A 25 -17.465 15.378 -4.965 1.00 6.54 C ATOM 0 H ALA A 25 -15.446 16.628 -5.742 1.00 5.79 H new ATOM 0 HA ALA A 25 -15.918 13.914 -4.720 1.00 5.65 H new ATOM 0 HB1 ALA A 25 -18.267 14.643 -4.903 1.00 6.54 H new ATOM 0 HB2 ALA A 25 -17.301 15.820 -3.982 1.00 6.54 H new ATOM 0 HB3 ALA A 25 -17.743 16.159 -5.672 1.00 6.54 H new ATOM 336 N LEU A 26 -15.921 12.729 -6.901 1.00 4.71 N ATOM 337 CA LEU A 26 -15.895 11.955 -8.150 1.00 4.60 C ATOM 338 C LEU A 26 -16.360 10.500 -7.931 1.00 4.37 C ATOM 339 O LEU A 26 -16.249 9.981 -6.808 1.00 4.12 O ATOM 340 CB LEU A 26 -14.458 11.998 -8.715 1.00 4.79 C ATOM 341 CG LEU A 26 -14.016 13.357 -9.300 1.00 5.61 C ATOM 342 CD1 LEU A 26 -12.520 13.298 -9.649 1.00 6.34 C ATOM 343 CD2 LEU A 26 -14.809 13.730 -10.562 1.00 6.65 C ATOM 0 H LEU A 26 -15.576 12.202 -6.098 1.00 4.71 H new ATOM 0 HA LEU A 26 -16.591 12.397 -8.863 1.00 4.60 H new ATOM 0 HB2 LEU A 26 -13.765 11.721 -7.920 1.00 4.79 H new ATOM 0 HB3 LEU A 26 -14.369 11.240 -9.494 1.00 4.79 H new ATOM 0 HG LEU A 26 -14.209 14.119 -8.545 1.00 5.61 H new ATOM 0 HD11 LEU A 26 -12.205 14.256 -10.062 1.00 6.34 H new ATOM 0 HD12 LEU A 26 -11.944 13.084 -8.748 1.00 6.34 H new ATOM 0 HD13 LEU A 26 -12.349 12.512 -10.384 1.00 6.34 H new ATOM 0 HD21 LEU A 26 -14.463 14.693 -10.937 1.00 6.65 H new ATOM 0 HD22 LEU A 26 -14.657 12.967 -11.326 1.00 6.65 H new ATOM 0 HD23 LEU A 26 -15.870 13.795 -10.319 1.00 6.65 H new ATOM 355 N PRO A 27 -16.852 9.807 -8.979 1.00 4.88 N ATOM 356 CA PRO A 27 -17.277 8.407 -8.911 1.00 5.06 C ATOM 357 C PRO A 27 -16.056 7.468 -8.855 1.00 4.37 C ATOM 358 O PRO A 27 -15.701 6.815 -9.830 1.00 4.93 O ATOM 359 CB PRO A 27 -18.175 8.206 -10.142 1.00 6.29 C ATOM 360 CG PRO A 27 -17.598 9.178 -11.167 1.00 6.54 C ATOM 361 CD PRO A 27 -17.127 10.349 -10.307 1.00 5.78 C ATOM 0 HA PRO A 27 -17.833 8.166 -8.005 1.00 5.06 H new ATOM 0 HB2 PRO A 27 -18.140 7.177 -10.501 1.00 6.29 H new ATOM 0 HB3 PRO A 27 -19.218 8.431 -9.919 1.00 6.29 H new ATOM 0 HG2 PRO A 27 -16.776 8.732 -11.727 1.00 6.54 H new ATOM 0 HG3 PRO A 27 -18.348 9.488 -11.895 1.00 6.54 H new ATOM 0 HD2 PRO A 27 -16.233 10.807 -10.731 1.00 5.78 H new ATOM 0 HD3 PRO A 27 -17.890 11.126 -10.258 1.00 5.78 H new ATOM 369 N VAL A 28 -15.387 7.435 -7.702 1.00 3.48 N ATOM 370 CA VAL A 28 -14.111 6.746 -7.432 1.00 2.86 C ATOM 371 C VAL A 28 -13.862 6.775 -5.917 1.00 2.74 C ATOM 372 O VAL A 28 -14.335 7.693 -5.241 1.00 3.22 O ATOM 373 CB VAL A 28 -12.938 7.398 -8.220 1.00 2.78 C ATOM 374 CG1 VAL A 28 -12.695 8.859 -7.800 1.00 3.21 C ATOM 375 CG2 VAL A 28 -11.598 6.649 -8.125 1.00 3.29 C ATOM 0 H VAL A 28 -15.739 7.917 -6.875 1.00 3.48 H new ATOM 0 HA VAL A 28 -14.169 5.712 -7.772 1.00 2.86 H new ATOM 0 HB VAL A 28 -13.277 7.345 -9.255 1.00 2.78 H new ATOM 0 HG11 VAL A 28 -11.867 9.271 -8.377 1.00 3.21 H new ATOM 0 HG12 VAL A 28 -13.595 9.446 -7.986 1.00 3.21 H new ATOM 0 HG13 VAL A 28 -12.451 8.897 -6.738 1.00 3.21 H new ATOM 0 HG21 VAL A 28 -10.843 7.179 -8.706 1.00 3.29 H new ATOM 0 HG22 VAL A 28 -11.283 6.597 -7.083 1.00 3.29 H new ATOM 0 HG23 VAL A 28 -11.717 5.640 -8.519 1.00 3.29 H new ATOM 385 N THR A 29 -13.125 5.809 -5.363 1.00 2.60 N ATOM 386 CA THR A 29 -12.790 5.762 -3.932 1.00 2.65 C ATOM 387 C THR A 29 -11.351 5.313 -3.744 1.00 2.47 C ATOM 388 O THR A 29 -10.943 4.257 -4.219 1.00 2.62 O ATOM 389 CB THR A 29 -13.728 4.816 -3.182 1.00 2.96 C ATOM 390 OG1 THR A 29 -15.060 5.099 -3.543 1.00 3.48 O ATOM 391 CG2 THR A 29 -13.620 4.946 -1.660 1.00 3.49 C ATOM 0 H THR A 29 -12.740 5.030 -5.897 1.00 2.60 H new ATOM 0 HA THR A 29 -12.910 6.766 -3.524 1.00 2.65 H new ATOM 0 HB THR A 29 -13.435 3.803 -3.459 1.00 2.96 H new ATOM 0 HG1 THR A 29 -15.664 4.493 -3.065 1.00 3.48 H new ATOM 0 HG21 THR A 29 -14.310 4.249 -1.185 1.00 3.49 H new ATOM 0 HG22 THR A 29 -12.601 4.718 -1.347 1.00 3.49 H new ATOM 0 HG23 THR A 29 -13.871 5.964 -1.363 1.00 3.49 H new ATOM 399 N VAL A 30 -10.619 6.147 -3.020 1.00 2.84 N ATOM 400 CA VAL A 30 -9.210 5.985 -2.628 1.00 3.06 C ATOM 401 C VAL A 30 -9.122 5.229 -1.296 1.00 2.37 C ATOM 402 O VAL A 30 -10.000 5.368 -0.446 1.00 2.62 O ATOM 403 CB VAL A 30 -8.495 7.361 -2.573 1.00 4.35 C ATOM 404 CG1 VAL A 30 -9.079 8.317 -1.517 1.00 5.13 C ATOM 405 CG2 VAL A 30 -6.978 7.225 -2.383 1.00 5.45 C ATOM 0 H VAL A 30 -11.013 7.017 -2.662 1.00 2.84 H new ATOM 0 HA VAL A 30 -8.692 5.390 -3.380 1.00 3.06 H new ATOM 0 HB VAL A 30 -8.682 7.808 -3.549 1.00 4.35 H new ATOM 0 HG11 VAL A 30 -8.530 9.259 -1.535 1.00 5.13 H new ATOM 0 HG12 VAL A 30 -10.130 8.505 -1.738 1.00 5.13 H new ATOM 0 HG13 VAL A 30 -8.991 7.865 -0.529 1.00 5.13 H new ATOM 0 HG21 VAL A 30 -6.525 8.216 -2.351 1.00 5.45 H new ATOM 0 HG22 VAL A 30 -6.774 6.702 -1.449 1.00 5.45 H new ATOM 0 HG23 VAL A 30 -6.556 6.660 -3.214 1.00 5.45 H new ATOM 415 N GLN A 31 -8.064 4.444 -1.091 1.00 2.05 N ATOM 416 CA GLN A 31 -7.813 3.803 0.199 1.00 1.87 C ATOM 417 C GLN A 31 -7.463 4.792 1.327 1.00 2.12 C ATOM 418 O GLN A 31 -6.852 5.830 1.098 1.00 3.50 O ATOM 419 CB GLN A 31 -6.702 2.748 0.075 1.00 2.08 C ATOM 420 CG GLN A 31 -5.312 3.281 -0.342 1.00 2.32 C ATOM 421 CD GLN A 31 -5.123 3.410 -1.852 1.00 2.07 C ATOM 422 OE1 GLN A 31 -5.001 4.491 -2.397 1.00 2.88 O ATOM 423 NE2 GLN A 31 -5.129 2.330 -2.597 1.00 1.84 N ATOM 0 H GLN A 31 -7.365 4.237 -1.805 1.00 2.05 H new ATOM 0 HA GLN A 31 -8.753 3.327 0.478 1.00 1.87 H new ATOM 0 HB2 GLN A 31 -6.602 2.238 1.033 1.00 2.08 H new ATOM 0 HB3 GLN A 31 -7.017 2.000 -0.653 1.00 2.08 H new ATOM 0 HG2 GLN A 31 -5.156 4.257 0.118 1.00 2.32 H new ATOM 0 HG3 GLN A 31 -4.545 2.615 0.054 1.00 2.32 H new ATOM 0 HE21 GLN A 31 -5.230 1.412 -2.164 1.00 1.84 H new ATOM 0 HE22 GLN A 31 -5.033 2.408 -3.609 1.00 1.84 H new ATOM 432 N GLY A 32 -7.723 4.375 2.573 1.00 1.50 N ATOM 433 CA GLY A 32 -7.203 4.993 3.807 1.00 1.64 C ATOM 434 C GLY A 32 -5.883 4.367 4.281 1.00 1.53 C ATOM 435 O GLY A 32 -5.622 4.342 5.479 1.00 2.22 O ATOM 0 H GLY A 32 -8.322 3.570 2.760 1.00 1.50 H new ATOM 0 HA2 GLY A 32 -7.053 6.059 3.638 1.00 1.64 H new ATOM 0 HA3 GLY A 32 -7.948 4.898 4.597 1.00 1.64 H new ATOM 439 N ALA A 33 -5.106 3.824 3.328 1.00 1.09 N ATOM 440 CA ALA A 33 -3.856 3.048 3.439 1.00 1.03 C ATOM 441 C ALA A 33 -3.559 2.410 4.817 1.00 0.99 C ATOM 442 O ALA A 33 -2.791 2.947 5.613 1.00 1.43 O ATOM 443 CB ALA A 33 -2.709 3.928 2.922 1.00 1.34 C ATOM 0 H ALA A 33 -5.368 3.930 2.348 1.00 1.09 H new ATOM 0 HA ALA A 33 -3.975 2.159 2.819 1.00 1.03 H new ATOM 0 HB1 ALA A 33 -1.770 3.380 2.992 1.00 1.34 H new ATOM 0 HB2 ALA A 33 -2.896 4.196 1.882 1.00 1.34 H new ATOM 0 HB3 ALA A 33 -2.646 4.834 3.524 1.00 1.34 H new ATOM 449 N THR A 34 -4.151 1.242 5.087 1.00 0.89 N ATOM 450 CA THR A 34 -4.189 0.643 6.427 1.00 0.84 C ATOM 451 C THR A 34 -2.985 -0.253 6.710 1.00 0.79 C ATOM 452 O THR A 34 -2.740 -1.216 5.984 1.00 0.98 O ATOM 453 CB THR A 34 -5.478 -0.155 6.609 1.00 0.98 C ATOM 454 OG1 THR A 34 -6.554 0.529 5.996 1.00 1.45 O ATOM 455 CG2 THR A 34 -5.823 -0.325 8.083 1.00 1.27 C ATOM 0 H THR A 34 -4.621 0.681 4.377 1.00 0.89 H new ATOM 0 HA THR A 34 -4.154 1.466 7.141 1.00 0.84 H new ATOM 0 HB THR A 34 -5.322 -1.134 6.155 1.00 0.98 H new ATOM 0 HG1 THR A 34 -7.379 0.013 6.113 1.00 1.45 H new ATOM 0 HG21 THR A 34 -6.746 -0.897 8.177 1.00 1.27 H new ATOM 0 HG22 THR A 34 -5.015 -0.855 8.587 1.00 1.27 H new ATOM 0 HG23 THR A 34 -5.956 0.655 8.541 1.00 1.27 H new ATOM 463 N VAL A 35 -2.308 0.020 7.823 1.00 0.65 N ATOM 464 CA VAL A 35 -1.223 -0.801 8.399 1.00 0.62 C ATOM 465 C VAL A 35 -1.824 -1.879 9.317 1.00 0.68 C ATOM 466 O VAL A 35 -2.850 -1.643 9.953 1.00 0.76 O ATOM 467 CB VAL A 35 -0.213 0.091 9.168 1.00 0.62 C ATOM 468 CG1 VAL A 35 0.924 -0.711 9.827 1.00 1.04 C ATOM 469 CG2 VAL A 35 0.429 1.150 8.255 1.00 0.83 C ATOM 0 H VAL A 35 -2.502 0.853 8.379 1.00 0.65 H new ATOM 0 HA VAL A 35 -0.679 -1.294 7.593 1.00 0.62 H new ATOM 0 HB VAL A 35 -0.807 0.571 9.946 1.00 0.62 H new ATOM 0 HG11 VAL A 35 1.596 -0.029 10.348 1.00 1.04 H new ATOM 0 HG12 VAL A 35 0.503 -1.421 10.539 1.00 1.04 H new ATOM 0 HG13 VAL A 35 1.479 -1.252 9.061 1.00 1.04 H new ATOM 0 HG21 VAL A 35 1.129 1.753 8.833 1.00 0.83 H new ATOM 0 HG22 VAL A 35 0.961 0.655 7.442 1.00 0.83 H new ATOM 0 HG23 VAL A 35 -0.348 1.793 7.842 1.00 0.83 H new ATOM 479 N ALA A 36 -1.211 -3.063 9.424 1.00 0.76 N ATOM 480 CA ALA A 36 -1.771 -4.199 10.173 1.00 1.11 C ATOM 481 C ALA A 36 -1.719 -4.093 11.710 1.00 1.68 C ATOM 482 O ALA A 36 -2.547 -4.685 12.396 1.00 3.69 O ATOM 483 CB ALA A 36 -1.036 -5.457 9.702 1.00 1.11 C ATOM 0 H ALA A 36 -0.309 -3.263 8.993 1.00 0.76 H new ATOM 0 HA ALA A 36 -2.839 -4.222 9.957 1.00 1.11 H new ATOM 0 HB1 ALA A 36 -1.423 -6.325 10.235 1.00 1.11 H new ATOM 0 HB2 ALA A 36 -1.191 -5.590 8.631 1.00 1.11 H new ATOM 0 HB3 ALA A 36 0.030 -5.353 9.904 1.00 1.11 H new ATOM 489 N ALA A 37 -0.732 -3.343 12.202 1.00 0.92 N ATOM 490 CA ALA A 37 -0.225 -3.173 13.589 1.00 0.98 C ATOM 491 C ALA A 37 0.890 -4.182 13.921 1.00 1.24 C ATOM 492 O ALA A 37 0.893 -5.274 13.364 1.00 1.68 O ATOM 493 CB ALA A 37 -1.334 -3.285 14.653 1.00 1.26 C ATOM 0 H ALA A 37 -0.191 -2.760 11.564 1.00 0.92 H new ATOM 0 HA ALA A 37 0.179 -2.161 13.621 1.00 0.98 H new ATOM 0 HB1 ALA A 37 -0.902 -3.152 15.645 1.00 1.26 H new ATOM 0 HB2 ALA A 37 -2.085 -2.514 14.478 1.00 1.26 H new ATOM 0 HB3 ALA A 37 -1.801 -4.268 14.590 1.00 1.26 H new ATOM 499 N VAL A 38 1.773 -3.844 14.876 1.00 1.15 N ATOM 500 CA VAL A 38 2.668 -4.788 15.594 1.00 1.13 C ATOM 501 C VAL A 38 3.092 -4.232 16.972 1.00 1.19 C ATOM 502 O VAL A 38 3.254 -3.017 17.104 1.00 1.32 O ATOM 503 CB VAL A 38 3.966 -5.192 14.838 1.00 1.27 C ATOM 504 CG1 VAL A 38 3.744 -5.996 13.550 1.00 2.06 C ATOM 505 CG2 VAL A 38 4.878 -3.992 14.554 1.00 2.27 C ATOM 0 H VAL A 38 1.893 -2.879 15.184 1.00 1.15 H new ATOM 0 HA VAL A 38 2.052 -5.682 15.688 1.00 1.13 H new ATOM 0 HB VAL A 38 4.465 -5.864 15.536 1.00 1.27 H new ATOM 0 HG11 VAL A 38 4.707 -6.230 13.096 1.00 2.06 H new ATOM 0 HG12 VAL A 38 3.219 -6.922 13.785 1.00 2.06 H new ATOM 0 HG13 VAL A 38 3.147 -5.408 12.852 1.00 2.06 H new ATOM 0 HG21 VAL A 38 5.769 -4.330 14.025 1.00 2.27 H new ATOM 0 HG22 VAL A 38 4.344 -3.267 13.940 1.00 2.27 H new ATOM 0 HG23 VAL A 38 5.170 -3.526 15.495 1.00 2.27 H new ATOM 515 N PRO A 39 3.308 -5.096 17.989 1.00 1.21 N ATOM 516 CA PRO A 39 3.813 -4.702 19.306 1.00 1.37 C ATOM 517 C PRO A 39 5.328 -4.373 19.309 1.00 1.41 C ATOM 518 O PRO A 39 6.044 -4.758 18.385 1.00 1.36 O ATOM 519 CB PRO A 39 3.451 -5.863 20.243 1.00 1.44 C ATOM 520 CG PRO A 39 3.345 -7.082 19.335 1.00 1.35 C ATOM 521 CD PRO A 39 2.915 -6.502 17.990 1.00 1.19 C ATOM 0 HA PRO A 39 3.358 -3.768 19.636 1.00 1.37 H new ATOM 0 HB2 PRO A 39 4.214 -6.006 21.008 1.00 1.44 H new ATOM 0 HB3 PRO A 39 2.511 -5.674 20.762 1.00 1.44 H new ATOM 0 HG2 PRO A 39 4.297 -7.607 19.258 1.00 1.35 H new ATOM 0 HG3 PRO A 39 2.616 -7.799 19.712 1.00 1.35 H new ATOM 0 HD2 PRO A 39 3.392 -7.037 17.169 1.00 1.19 H new ATOM 0 HD3 PRO A 39 1.838 -6.602 17.853 1.00 1.19 H new ATOM 529 N PRO A 40 5.839 -3.653 20.334 1.00 1.61 N ATOM 530 CA PRO A 40 7.130 -2.949 20.300 1.00 1.73 C ATOM 531 C PRO A 40 8.407 -3.785 20.122 1.00 1.88 C ATOM 532 O PRO A 40 9.442 -3.207 19.804 1.00 3.18 O ATOM 533 CB PRO A 40 7.198 -2.123 21.593 1.00 1.98 C ATOM 534 CG PRO A 40 6.128 -2.721 22.501 1.00 2.03 C ATOM 535 CD PRO A 40 5.090 -3.217 21.506 1.00 1.81 C ATOM 0 HA PRO A 40 7.133 -2.357 19.385 1.00 1.73 H new ATOM 0 HB2 PRO A 40 8.185 -2.187 22.051 1.00 1.98 H new ATOM 0 HB3 PRO A 40 7.005 -1.068 21.398 1.00 1.98 H new ATOM 0 HG2 PRO A 40 6.523 -3.532 23.114 1.00 2.03 H new ATOM 0 HG3 PRO A 40 5.714 -1.979 23.183 1.00 2.03 H new ATOM 0 HD2 PRO A 40 4.507 -4.037 21.925 1.00 1.81 H new ATOM 0 HD3 PRO A 40 4.386 -2.426 21.248 1.00 1.81 H new ATOM 543 N SER A 41 8.382 -5.109 20.302 1.00 1.75 N ATOM 544 CA SER A 41 9.567 -5.947 20.021 1.00 1.86 C ATOM 545 C SER A 41 9.806 -6.225 18.519 1.00 1.74 C ATOM 546 O SER A 41 10.867 -6.750 18.174 1.00 1.93 O ATOM 547 CB SER A 41 9.495 -7.283 20.778 1.00 2.18 C ATOM 548 OG SER A 41 10.738 -7.971 20.702 1.00 2.56 O ATOM 0 H SER A 41 7.568 -5.625 20.637 1.00 1.75 H new ATOM 0 HA SER A 41 10.414 -5.359 20.374 1.00 1.86 H new ATOM 0 HB2 SER A 41 9.237 -7.102 21.821 1.00 2.18 H new ATOM 0 HB3 SER A 41 8.704 -7.903 20.357 1.00 2.18 H new ATOM 0 HG SER A 41 11.172 -7.768 19.847 1.00 2.56 H new ATOM 554 N ILE A 42 8.846 -5.923 17.634 1.00 1.54 N ATOM 555 CA ILE A 42 8.945 -6.155 16.191 1.00 1.48 C ATOM 556 C ILE A 42 9.120 -4.814 15.468 1.00 1.35 C ATOM 557 O ILE A 42 8.225 -3.972 15.429 1.00 1.58 O ATOM 558 CB ILE A 42 7.729 -6.940 15.648 1.00 1.60 C ATOM 559 CG1 ILE A 42 7.380 -8.212 16.457 1.00 1.98 C ATOM 560 CG2 ILE A 42 8.035 -7.393 14.205 1.00 1.77 C ATOM 561 CD1 ILE A 42 6.520 -7.984 17.702 1.00 2.72 C ATOM 0 H ILE A 42 7.960 -5.501 17.911 1.00 1.54 H new ATOM 0 HA ILE A 42 9.820 -6.776 15.999 1.00 1.48 H new ATOM 0 HB ILE A 42 6.880 -6.260 15.716 1.00 1.60 H new ATOM 0 HG12 ILE A 42 6.860 -8.908 15.800 1.00 1.98 H new ATOM 0 HG13 ILE A 42 8.309 -8.694 16.761 1.00 1.98 H new ATOM 0 HG21 ILE A 42 7.184 -7.948 13.810 1.00 1.77 H new ATOM 0 HG22 ILE A 42 8.219 -6.519 13.581 1.00 1.77 H new ATOM 0 HG23 ILE A 42 8.918 -8.032 14.204 1.00 1.77 H new ATOM 0 HD11 ILE A 42 6.334 -8.938 18.195 1.00 2.72 H new ATOM 0 HD12 ILE A 42 7.042 -7.317 18.388 1.00 2.72 H new ATOM 0 HD13 ILE A 42 5.571 -7.534 17.411 1.00 2.72 H new ATOM 573 N ARG A 43 10.299 -4.636 14.875 1.00 1.37 N ATOM 574 CA ARG A 43 10.688 -3.479 14.066 1.00 1.37 C ATOM 575 C ARG A 43 10.312 -3.648 12.579 1.00 1.25 C ATOM 576 O ARG A 43 10.984 -3.079 11.725 1.00 1.32 O ATOM 577 CB ARG A 43 12.185 -3.202 14.299 1.00 1.61 C ATOM 578 CG ARG A 43 13.121 -4.361 13.919 1.00 2.19 C ATOM 579 CD ARG A 43 14.573 -3.968 14.199 1.00 2.70 C ATOM 580 NE ARG A 43 15.470 -5.104 13.950 1.00 3.47 N ATOM 581 CZ ARG A 43 16.754 -5.179 14.272 1.00 4.06 C ATOM 582 NH1 ARG A 43 17.388 -4.229 14.927 1.00 4.12 N ATOM 583 NH2 ARG A 43 17.404 -6.271 13.946 1.00 4.98 N ATOM 0 H ARG A 43 11.046 -5.327 14.948 1.00 1.37 H new ATOM 0 HA ARG A 43 10.124 -2.602 14.383 1.00 1.37 H new ATOM 0 HB2 ARG A 43 12.471 -2.320 13.726 1.00 1.61 H new ATOM 0 HB3 ARG A 43 12.336 -2.961 15.351 1.00 1.61 H new ATOM 0 HG2 ARG A 43 12.860 -5.253 14.488 1.00 2.19 H new ATOM 0 HG3 ARG A 43 12.999 -4.609 12.865 1.00 2.19 H new ATOM 0 HD2 ARG A 43 14.857 -3.127 13.566 1.00 2.70 H new ATOM 0 HD3 ARG A 43 14.674 -3.637 15.233 1.00 2.70 H new ATOM 0 HE ARG A 43 15.065 -5.916 13.483 1.00 3.47 H new ATOM 0 HH11 ARG A 43 16.890 -3.386 15.211 1.00 4.12 H new ATOM 0 HH12 ARG A 43 18.377 -4.336 15.150 1.00 4.12 H new ATOM 0 HH21 ARG A 43 16.920 -7.027 13.461 1.00 4.98 H new ATOM 0 HH22 ARG A 43 18.393 -6.364 14.178 1.00 4.98 H new ATOM 597 N ASP A 44 9.260 -4.397 12.264 1.00 1.20 N ATOM 598 CA ASP A 44 8.756 -4.612 10.910 1.00 1.25 C ATOM 599 C ASP A 44 7.226 -4.687 11.012 1.00 1.15 C ATOM 600 O ASP A 44 6.698 -5.392 11.874 1.00 1.16 O ATOM 601 CB ASP A 44 9.281 -5.931 10.303 1.00 1.41 C ATOM 602 CG ASP A 44 10.806 -6.111 10.225 1.00 1.54 C ATOM 603 OD1 ASP A 44 11.494 -5.203 9.655 1.00 2.60 O ATOM 604 OD2 ASP A 44 11.257 -7.193 10.634 1.00 1.78 O ATOM 0 H ASP A 44 8.714 -4.890 12.971 1.00 1.20 H new ATOM 0 HA ASP A 44 9.091 -3.800 10.265 1.00 1.25 H new ATOM 0 HB2 ASP A 44 8.873 -6.757 10.886 1.00 1.41 H new ATOM 0 HB3 ASP A 44 8.878 -6.023 9.294 1.00 1.41 H new ATOM 609 N THR A 45 6.506 -4.009 10.121 1.00 1.15 N ATOM 610 CA THR A 45 5.045 -4.124 9.991 1.00 1.04 C ATOM 611 C THR A 45 4.683 -4.074 8.519 1.00 0.98 C ATOM 612 O THR A 45 5.540 -3.780 7.689 1.00 1.13 O ATOM 613 CB THR A 45 4.315 -3.080 10.847 1.00 1.13 C ATOM 614 OG1 THR A 45 2.945 -3.423 10.910 1.00 2.23 O ATOM 615 CG2 THR A 45 4.429 -1.650 10.317 1.00 1.71 C ATOM 0 H THR A 45 6.921 -3.354 9.458 1.00 1.15 H new ATOM 0 HA THR A 45 4.707 -5.083 10.384 1.00 1.04 H new ATOM 0 HB THR A 45 4.792 -3.094 11.827 1.00 1.13 H new ATOM 0 HG1 THR A 45 2.468 -2.764 11.456 1.00 2.23 H new ATOM 0 HG21 THR A 45 3.887 -0.973 10.977 1.00 1.71 H new ATOM 0 HG22 THR A 45 5.479 -1.358 10.280 1.00 1.71 H new ATOM 0 HG23 THR A 45 4.003 -1.598 9.315 1.00 1.71 H new ATOM 623 N ALA A 46 3.436 -4.369 8.171 1.00 0.93 N ATOM 624 CA ALA A 46 2.964 -4.460 6.794 1.00 0.93 C ATOM 625 C ALA A 46 1.595 -3.795 6.620 1.00 0.74 C ATOM 626 O ALA A 46 0.757 -3.835 7.520 1.00 0.85 O ATOM 627 CB ALA A 46 2.931 -5.938 6.385 1.00 1.22 C ATOM 0 H ALA A 46 2.705 -4.557 8.857 1.00 0.93 H new ATOM 0 HA ALA A 46 3.649 -3.919 6.141 1.00 0.93 H new ATOM 0 HB1 ALA A 46 2.580 -6.023 5.357 1.00 1.22 H new ATOM 0 HB2 ALA A 46 3.933 -6.359 6.462 1.00 1.22 H new ATOM 0 HB3 ALA A 46 2.256 -6.483 7.045 1.00 1.22 H new ATOM 633 N ALA A 47 1.374 -3.198 5.450 1.00 0.81 N ATOM 634 CA ALA A 47 0.134 -2.526 5.080 1.00 0.75 C ATOM 635 C ALA A 47 -0.538 -3.195 3.875 1.00 0.84 C ATOM 636 O ALA A 47 0.107 -3.842 3.042 1.00 1.06 O ATOM 637 CB ALA A 47 0.432 -1.040 4.840 1.00 0.85 C ATOM 0 H ALA A 47 2.077 -3.169 4.711 1.00 0.81 H new ATOM 0 HA ALA A 47 -0.584 -2.610 5.896 1.00 0.75 H new ATOM 0 HB1 ALA A 47 -0.487 -0.525 4.562 1.00 0.85 H new ATOM 0 HB2 ALA A 47 0.835 -0.598 5.751 1.00 0.85 H new ATOM 0 HB3 ALA A 47 1.161 -0.940 4.036 1.00 0.85 H new ATOM 643 N TYR A 48 -1.854 -3.019 3.800 1.00 0.86 N ATOM 644 CA TYR A 48 -2.759 -3.563 2.789 1.00 0.97 C ATOM 645 C TYR A 48 -3.883 -2.564 2.465 1.00 0.99 C ATOM 646 O TYR A 48 -4.208 -1.694 3.274 1.00 1.18 O ATOM 647 CB TYR A 48 -3.312 -4.920 3.262 1.00 1.61 C ATOM 648 CG TYR A 48 -3.673 -5.054 4.740 1.00 1.25 C ATOM 649 CD1 TYR A 48 -4.633 -4.217 5.351 1.00 2.65 C ATOM 650 CD2 TYR A 48 -3.056 -6.058 5.511 1.00 2.09 C ATOM 651 CE1 TYR A 48 -4.949 -4.361 6.719 1.00 3.77 C ATOM 652 CE2 TYR A 48 -3.386 -6.224 6.868 1.00 2.63 C ATOM 653 CZ TYR A 48 -4.337 -5.381 7.482 1.00 3.36 C ATOM 654 OH TYR A 48 -4.654 -5.564 8.796 1.00 4.59 O ATOM 0 H TYR A 48 -2.351 -2.455 4.489 1.00 0.86 H new ATOM 0 HA TYR A 48 -2.206 -3.728 1.864 1.00 0.97 H new ATOM 0 HB2 TYR A 48 -4.203 -5.144 2.676 1.00 1.61 H new ATOM 0 HB3 TYR A 48 -2.574 -5.686 3.025 1.00 1.61 H new ATOM 0 HD1 TYR A 48 -5.131 -3.459 4.765 1.00 2.65 H new ATOM 0 HD2 TYR A 48 -2.322 -6.707 5.056 1.00 2.09 H new ATOM 0 HE1 TYR A 48 -5.659 -3.692 7.183 1.00 3.77 H new ATOM 0 HE2 TYR A 48 -2.908 -7.002 7.445 1.00 2.63 H new ATOM 0 HH TYR A 48 -4.996 -4.725 9.170 1.00 4.59 H new ATOM 664 N MET A 49 -4.477 -2.654 1.274 1.00 1.00 N ATOM 665 CA MET A 49 -5.383 -1.632 0.738 1.00 1.23 C ATOM 666 C MET A 49 -5.999 -2.004 -0.612 1.00 1.06 C ATOM 667 O MET A 49 -5.464 -2.817 -1.364 1.00 1.07 O ATOM 668 CB MET A 49 -4.685 -0.259 0.658 1.00 1.56 C ATOM 669 CG MET A 49 -3.364 -0.257 -0.123 1.00 2.35 C ATOM 670 SD MET A 49 -2.196 1.031 0.384 1.00 3.33 S ATOM 671 CE MET A 49 -1.490 0.226 1.847 1.00 4.57 C ATOM 0 H MET A 49 -4.342 -3.446 0.646 1.00 1.00 H new ATOM 0 HA MET A 49 -6.211 -1.571 1.444 1.00 1.23 H new ATOM 0 HB2 MET A 49 -5.367 0.454 0.194 1.00 1.56 H new ATOM 0 HB3 MET A 49 -4.493 0.096 1.671 1.00 1.56 H new ATOM 0 HG2 MET A 49 -2.886 -1.230 -0.007 1.00 2.35 H new ATOM 0 HG3 MET A 49 -3.583 -0.134 -1.184 1.00 2.35 H new ATOM 0 HE1 MET A 49 -0.742 0.879 2.297 1.00 4.57 H new ATOM 0 HE2 MET A 49 -2.281 0.028 2.570 1.00 4.57 H new ATOM 0 HE3 MET A 49 -1.022 -0.714 1.555 1.00 4.57 H new ATOM 681 N THR A 50 -7.124 -1.358 -0.925 1.00 1.12 N ATOM 682 CA THR A 50 -7.962 -1.604 -2.110 1.00 1.07 C ATOM 683 C THR A 50 -8.060 -0.339 -2.961 1.00 1.27 C ATOM 684 O THR A 50 -7.365 0.638 -2.692 1.00 2.16 O ATOM 685 CB THR A 50 -9.367 -2.073 -1.676 1.00 1.34 C ATOM 686 OG1 THR A 50 -9.364 -2.554 -0.352 1.00 2.18 O ATOM 687 CG2 THR A 50 -9.876 -3.213 -2.562 1.00 1.65 C ATOM 0 H THR A 50 -7.496 -0.614 -0.335 1.00 1.12 H new ATOM 0 HA THR A 50 -7.502 -2.389 -2.711 1.00 1.07 H new ATOM 0 HB THR A 50 -10.014 -1.200 -1.765 1.00 1.34 H new ATOM 0 HG1 THR A 50 -10.268 -2.842 -0.106 1.00 2.18 H new ATOM 0 HG21 THR A 50 -10.868 -3.518 -2.228 1.00 1.65 H new ATOM 0 HG22 THR A 50 -9.930 -2.874 -3.596 1.00 1.65 H new ATOM 0 HG23 THR A 50 -9.193 -4.060 -2.493 1.00 1.65 H new ATOM 695 N LEU A 51 -8.969 -0.325 -3.937 1.00 1.31 N ATOM 696 CA LEU A 51 -9.400 0.839 -4.723 1.00 1.37 C ATOM 697 C LEU A 51 -10.826 0.558 -5.238 1.00 1.33 C ATOM 698 O LEU A 51 -11.254 -0.594 -5.237 1.00 2.00 O ATOM 699 CB LEU A 51 -8.360 1.058 -5.859 1.00 1.82 C ATOM 700 CG LEU A 51 -8.055 2.485 -6.369 1.00 2.59 C ATOM 701 CD1 LEU A 51 -9.181 3.139 -7.180 1.00 3.55 C ATOM 702 CD2 LEU A 51 -7.607 3.417 -5.237 1.00 3.31 C ATOM 0 H LEU A 51 -9.455 -1.176 -4.219 1.00 1.31 H new ATOM 0 HA LEU A 51 -9.441 1.759 -4.139 1.00 1.37 H new ATOM 0 HB2 LEU A 51 -7.417 0.627 -5.522 1.00 1.82 H new ATOM 0 HB3 LEU A 51 -8.690 0.472 -6.717 1.00 1.82 H new ATOM 0 HG LEU A 51 -7.229 2.342 -7.066 1.00 2.59 H new ATOM 0 HD11 LEU A 51 -8.872 4.136 -7.493 1.00 3.55 H new ATOM 0 HD12 LEU A 51 -9.395 2.533 -8.060 1.00 3.55 H new ATOM 0 HD13 LEU A 51 -10.077 3.213 -6.564 1.00 3.55 H new ATOM 0 HD21 LEU A 51 -7.403 4.409 -5.641 1.00 3.31 H new ATOM 0 HD22 LEU A 51 -8.396 3.485 -4.488 1.00 3.31 H new ATOM 0 HD23 LEU A 51 -6.702 3.021 -4.776 1.00 3.31 H new ATOM 714 N THR A 52 -11.538 1.577 -5.724 1.00 1.43 N ATOM 715 CA THR A 52 -12.750 1.439 -6.557 1.00 1.69 C ATOM 716 C THR A 52 -12.794 2.595 -7.539 1.00 1.81 C ATOM 717 O THR A 52 -12.594 3.731 -7.149 1.00 2.19 O ATOM 718 CB THR A 52 -14.008 1.336 -5.665 1.00 2.26 C ATOM 719 OG1 THR A 52 -14.380 -0.018 -5.606 1.00 2.25 O ATOM 720 CG2 THR A 52 -15.244 2.085 -6.166 1.00 3.08 C ATOM 0 H THR A 52 -11.287 2.550 -5.548 1.00 1.43 H new ATOM 0 HA THR A 52 -12.724 0.515 -7.135 1.00 1.69 H new ATOM 0 HB THR A 52 -13.723 1.785 -4.714 1.00 2.26 H new ATOM 0 HG1 THR A 52 -13.583 -0.571 -5.468 1.00 2.25 H new ATOM 0 HG21 THR A 52 -16.065 1.943 -5.463 1.00 3.08 H new ATOM 0 HG22 THR A 52 -15.017 3.148 -6.249 1.00 3.08 H new ATOM 0 HG23 THR A 52 -15.532 1.698 -7.143 1.00 3.08 H new ATOM 728 N ASN A 53 -13.058 2.331 -8.815 1.00 1.81 N ATOM 729 CA ASN A 53 -13.219 3.336 -9.875 1.00 2.10 C ATOM 730 C ASN A 53 -14.583 3.133 -10.553 1.00 2.53 C ATOM 731 O ASN A 53 -14.751 2.236 -11.374 1.00 3.17 O ATOM 732 CB ASN A 53 -12.054 3.245 -10.883 1.00 2.22 C ATOM 733 CG ASN A 53 -11.809 1.865 -11.480 1.00 2.02 C ATOM 734 OD1 ASN A 53 -11.306 0.953 -10.836 1.00 3.18 O ATOM 735 ND2 ASN A 53 -12.141 1.684 -12.739 1.00 2.23 N ATOM 0 H ASN A 53 -13.171 1.377 -9.158 1.00 1.81 H new ATOM 0 HA ASN A 53 -13.192 4.338 -9.448 1.00 2.10 H new ATOM 0 HB2 ASN A 53 -12.245 3.945 -11.697 1.00 2.22 H new ATOM 0 HB3 ASN A 53 -11.141 3.574 -10.387 1.00 2.22 H new ATOM 0 HD21 ASN A 53 -11.980 0.780 -13.184 1.00 2.23 H new ATOM 0 HD22 ASN A 53 -12.560 2.447 -13.271 1.00 2.23 H new ATOM 742 N LYS A 54 -15.590 3.943 -10.220 1.00 2.31 N ATOM 743 CA LYS A 54 -16.981 3.726 -10.670 1.00 2.53 C ATOM 744 C LYS A 54 -17.257 4.336 -12.067 1.00 2.59 C ATOM 745 O LYS A 54 -18.314 4.901 -12.335 1.00 2.97 O ATOM 746 CB LYS A 54 -17.955 4.127 -9.541 1.00 3.02 C ATOM 747 CG LYS A 54 -19.295 3.369 -9.619 1.00 3.42 C ATOM 748 CD LYS A 54 -20.197 3.658 -8.408 1.00 4.00 C ATOM 749 CE LYS A 54 -21.466 2.790 -8.470 1.00 4.68 C ATOM 750 NZ LYS A 54 -22.400 3.053 -7.347 1.00 5.11 N ATOM 0 H LYS A 54 -15.472 4.768 -9.632 1.00 2.31 H new ATOM 0 HA LYS A 54 -17.156 2.665 -10.848 1.00 2.53 H new ATOM 0 HB2 LYS A 54 -17.487 3.932 -8.576 1.00 3.02 H new ATOM 0 HB3 LYS A 54 -18.144 5.199 -9.593 1.00 3.02 H new ATOM 0 HG2 LYS A 54 -19.817 3.650 -10.534 1.00 3.42 H new ATOM 0 HG3 LYS A 54 -19.102 2.298 -9.679 1.00 3.42 H new ATOM 0 HD2 LYS A 54 -19.654 3.456 -7.485 1.00 4.00 H new ATOM 0 HD3 LYS A 54 -20.470 4.713 -8.392 1.00 4.00 H new ATOM 0 HE2 LYS A 54 -21.980 2.973 -9.414 1.00 4.68 H new ATOM 0 HE3 LYS A 54 -21.181 1.738 -8.461 1.00 4.68 H new ATOM 0 HZ1 LYS A 54 -23.236 2.441 -7.440 1.00 5.11 H new ATOM 0 HZ2 LYS A 54 -21.923 2.853 -6.445 1.00 5.11 H new ATOM 0 HZ3 LYS A 54 -22.697 4.050 -7.368 1.00 5.11 H new ATOM 764 N SER A 55 -16.298 4.180 -12.987 1.00 2.45 N ATOM 765 CA SER A 55 -16.355 4.494 -14.426 1.00 2.69 C ATOM 766 C SER A 55 -15.085 3.988 -15.146 1.00 2.60 C ATOM 767 O SER A 55 -14.116 3.605 -14.481 1.00 2.80 O ATOM 768 CB SER A 55 -16.539 6.002 -14.706 1.00 3.31 C ATOM 769 OG SER A 55 -15.395 6.766 -14.367 1.00 4.82 O ATOM 0 H SER A 55 -15.388 3.801 -12.727 1.00 2.45 H new ATOM 0 HA SER A 55 -17.233 3.978 -14.815 1.00 2.69 H new ATOM 0 HB2 SER A 55 -16.767 6.146 -15.762 1.00 3.31 H new ATOM 0 HB3 SER A 55 -17.396 6.370 -14.142 1.00 3.31 H new ATOM 0 HG SER A 55 -15.563 7.711 -14.564 1.00 4.82 H new ATOM 775 N ASP A 56 -15.075 4.047 -16.484 1.00 2.86 N ATOM 776 CA ASP A 56 -13.979 3.698 -17.389 1.00 2.94 C ATOM 777 C ASP A 56 -12.774 4.655 -17.284 1.00 3.01 C ATOM 778 O ASP A 56 -12.171 5.016 -18.289 1.00 3.60 O ATOM 779 CB ASP A 56 -14.527 3.660 -18.825 1.00 3.35 C ATOM 780 CG ASP A 56 -15.758 2.781 -19.003 1.00 3.62 C ATOM 781 OD1 ASP A 56 -16.825 3.150 -18.472 1.00 3.53 O ATOM 782 OD2 ASP A 56 -15.670 1.753 -19.703 1.00 4.81 O ATOM 0 H ASP A 56 -15.897 4.364 -16.998 1.00 2.86 H new ATOM 0 HA ASP A 56 -13.599 2.719 -17.098 1.00 2.94 H new ATOM 0 HB2 ASP A 56 -14.772 4.676 -19.135 1.00 3.35 H new ATOM 0 HB3 ASP A 56 -13.742 3.304 -19.492 1.00 3.35 H new ATOM 787 N GLN A 57 -12.444 5.137 -16.087 1.00 2.56 N ATOM 788 CA GLN A 57 -11.370 6.098 -15.827 1.00 2.68 C ATOM 789 C GLN A 57 -10.025 5.385 -15.592 1.00 2.78 C ATOM 790 O GLN A 57 -9.914 4.586 -14.659 1.00 3.02 O ATOM 791 CB GLN A 57 -11.752 7.015 -14.639 1.00 2.78 C ATOM 792 CG GLN A 57 -12.057 6.280 -13.317 1.00 3.18 C ATOM 793 CD GLN A 57 -12.542 7.187 -12.199 1.00 3.32 C ATOM 794 OE1 GLN A 57 -11.755 7.701 -11.417 1.00 4.09 O ATOM 795 NE2 GLN A 57 -13.835 7.383 -12.051 1.00 3.42 N ATOM 0 H GLN A 57 -12.936 4.859 -15.238 1.00 2.56 H new ATOM 0 HA GLN A 57 -11.243 6.725 -16.710 1.00 2.68 H new ATOM 0 HB2 GLN A 57 -10.937 7.718 -14.466 1.00 2.78 H new ATOM 0 HB3 GLN A 57 -12.626 7.603 -14.920 1.00 2.78 H new ATOM 0 HG2 GLN A 57 -12.812 5.517 -13.504 1.00 3.18 H new ATOM 0 HG3 GLN A 57 -11.157 5.763 -12.986 1.00 3.18 H new ATOM 0 HE21 GLN A 57 -14.493 6.955 -12.702 1.00 3.42 H new ATOM 0 HE22 GLN A 57 -14.179 7.963 -11.285 1.00 3.42 H new ATOM 804 N PRO A 58 -8.978 5.671 -16.392 1.00 2.76 N ATOM 805 CA PRO A 58 -7.612 5.315 -16.048 1.00 2.84 C ATOM 806 C PRO A 58 -6.970 6.445 -15.224 1.00 2.59 C ATOM 807 O PRO A 58 -6.592 7.494 -15.747 1.00 3.01 O ATOM 808 CB PRO A 58 -6.917 5.079 -17.388 1.00 3.11 C ATOM 809 CG PRO A 58 -7.621 6.052 -18.337 1.00 3.03 C ATOM 810 CD PRO A 58 -9.027 6.218 -17.745 1.00 2.82 C ATOM 0 HA PRO A 58 -7.539 4.425 -15.424 1.00 2.84 H new ATOM 0 HB2 PRO A 58 -5.848 5.283 -17.326 1.00 3.11 H new ATOM 0 HB3 PRO A 58 -7.026 4.046 -17.720 1.00 3.11 H new ATOM 0 HG2 PRO A 58 -7.097 7.006 -18.388 1.00 3.03 H new ATOM 0 HG3 PRO A 58 -7.662 5.657 -19.352 1.00 3.03 H new ATOM 0 HD2 PRO A 58 -9.319 7.268 -17.728 1.00 2.82 H new ATOM 0 HD3 PRO A 58 -9.766 5.692 -18.349 1.00 2.82 H new ATOM 818 N ILE A 59 -6.833 6.210 -13.916 1.00 2.06 N ATOM 819 CA ILE A 59 -5.951 6.975 -13.020 1.00 1.98 C ATOM 820 C ILE A 59 -4.568 6.307 -12.965 1.00 1.98 C ATOM 821 O ILE A 59 -4.481 5.080 -12.912 1.00 2.31 O ATOM 822 CB ILE A 59 -6.602 7.154 -11.622 1.00 2.11 C ATOM 823 CG1 ILE A 59 -5.746 7.994 -10.645 1.00 3.25 C ATOM 824 CG2 ILE A 59 -6.940 5.815 -10.937 1.00 2.98 C ATOM 825 CD1 ILE A 59 -5.470 9.426 -11.121 1.00 4.38 C ATOM 0 H ILE A 59 -7.342 5.467 -13.437 1.00 2.06 H new ATOM 0 HA ILE A 59 -5.809 7.982 -13.413 1.00 1.98 H new ATOM 0 HB ILE A 59 -7.524 7.694 -11.837 1.00 2.11 H new ATOM 0 HG12 ILE A 59 -6.251 8.035 -9.680 1.00 3.25 H new ATOM 0 HG13 ILE A 59 -4.795 7.487 -10.485 1.00 3.25 H new ATOM 0 HG21 ILE A 59 -7.392 6.008 -9.964 1.00 2.98 H new ATOM 0 HG22 ILE A 59 -7.640 5.255 -11.558 1.00 2.98 H new ATOM 0 HG23 ILE A 59 -6.028 5.234 -10.804 1.00 2.98 H new ATOM 0 HD11 ILE A 59 -4.864 9.946 -10.379 1.00 4.38 H new ATOM 0 HD12 ILE A 59 -4.935 9.397 -12.070 1.00 4.38 H new ATOM 0 HD13 ILE A 59 -6.414 9.954 -11.253 1.00 4.38 H new ATOM 837 N LYS A 60 -3.488 7.099 -12.981 1.00 1.90 N ATOM 838 CA LYS A 60 -2.093 6.623 -13.009 1.00 2.13 C ATOM 839 C LYS A 60 -1.310 6.978 -11.738 1.00 1.64 C ATOM 840 O LYS A 60 -1.288 8.139 -11.339 1.00 1.47 O ATOM 841 CB LYS A 60 -1.405 7.135 -14.287 1.00 2.89 C ATOM 842 CG LYS A 60 -1.252 8.671 -14.388 1.00 3.70 C ATOM 843 CD LYS A 60 -0.744 9.115 -15.769 1.00 4.72 C ATOM 844 CE LYS A 60 -0.484 10.631 -15.791 1.00 5.80 C ATOM 845 NZ LYS A 60 0.049 11.077 -17.105 1.00 6.63 N ATOM 0 H LYS A 60 -3.559 8.116 -12.975 1.00 1.90 H new ATOM 0 HA LYS A 60 -2.107 5.533 -13.030 1.00 2.13 H new ATOM 0 HB2 LYS A 60 -0.415 6.683 -14.352 1.00 2.89 H new ATOM 0 HB3 LYS A 60 -1.972 6.786 -15.150 1.00 2.89 H new ATOM 0 HG2 LYS A 60 -2.213 9.144 -14.187 1.00 3.70 H new ATOM 0 HG3 LYS A 60 -0.560 9.017 -13.620 1.00 3.70 H new ATOM 0 HD2 LYS A 60 0.174 8.580 -16.014 1.00 4.72 H new ATOM 0 HD3 LYS A 60 -1.477 8.856 -16.532 1.00 4.72 H new ATOM 0 HE2 LYS A 60 -1.411 11.163 -15.574 1.00 5.80 H new ATOM 0 HE3 LYS A 60 0.224 10.891 -15.004 1.00 5.80 H new ATOM 0 HZ1 LYS A 60 0.212 12.104 -17.083 1.00 6.63 H new ATOM 0 HZ2 LYS A 60 0.946 10.588 -17.300 1.00 6.63 H new ATOM 0 HZ3 LYS A 60 -0.638 10.852 -17.853 1.00 6.63 H new ATOM 859 N LEU A 61 -0.622 6.016 -11.107 1.00 1.77 N ATOM 860 CA LEU A 61 -0.024 6.185 -9.771 1.00 1.39 C ATOM 861 C LEU A 61 0.926 5.018 -9.456 1.00 1.26 C ATOM 862 O LEU A 61 0.717 3.894 -9.917 1.00 1.73 O ATOM 863 CB LEU A 61 -1.158 6.427 -8.736 1.00 1.57 C ATOM 864 CG LEU A 61 -0.809 7.067 -7.372 1.00 1.73 C ATOM 865 CD1 LEU A 61 -2.062 7.794 -6.851 1.00 2.23 C ATOM 866 CD2 LEU A 61 -0.322 6.071 -6.315 1.00 3.03 C ATOM 0 H LEU A 61 -0.463 5.093 -11.510 1.00 1.77 H new ATOM 0 HA LEU A 61 0.613 7.069 -9.727 1.00 1.39 H new ATOM 0 HB2 LEU A 61 -1.908 7.058 -9.212 1.00 1.57 H new ATOM 0 HB3 LEU A 61 -1.631 5.465 -8.536 1.00 1.57 H new ATOM 0 HG LEU A 61 0.024 7.750 -7.541 1.00 1.73 H new ATOM 0 HD11 LEU A 61 -1.841 8.255 -5.888 1.00 2.23 H new ATOM 0 HD12 LEU A 61 -2.358 8.565 -7.563 1.00 2.23 H new ATOM 0 HD13 LEU A 61 -2.875 7.078 -6.733 1.00 2.23 H new ATOM 0 HD21 LEU A 61 -0.099 6.602 -5.390 1.00 3.03 H new ATOM 0 HD22 LEU A 61 -1.098 5.329 -6.129 1.00 3.03 H new ATOM 0 HD23 LEU A 61 0.579 5.572 -6.673 1.00 3.03 H new ATOM 878 N VAL A 62 2.002 5.310 -8.719 1.00 1.05 N ATOM 879 CA VAL A 62 3.150 4.396 -8.545 1.00 1.19 C ATOM 880 C VAL A 62 2.947 3.383 -7.397 1.00 1.15 C ATOM 881 O VAL A 62 3.330 2.222 -7.527 1.00 1.69 O ATOM 882 CB VAL A 62 4.476 5.191 -8.390 1.00 1.63 C ATOM 883 CG1 VAL A 62 4.614 6.261 -9.491 1.00 2.54 C ATOM 884 CG2 VAL A 62 4.650 5.852 -7.009 1.00 2.78 C ATOM 0 H VAL A 62 2.108 6.193 -8.220 1.00 1.05 H new ATOM 0 HA VAL A 62 3.219 3.801 -9.455 1.00 1.19 H new ATOM 0 HB VAL A 62 5.267 4.448 -8.490 1.00 1.63 H new ATOM 0 HG11 VAL A 62 5.551 6.802 -9.358 1.00 2.54 H new ATOM 0 HG12 VAL A 62 4.609 5.780 -10.469 1.00 2.54 H new ATOM 0 HG13 VAL A 62 3.780 6.959 -9.426 1.00 2.54 H new ATOM 0 HG21 VAL A 62 5.599 6.388 -6.979 1.00 2.78 H new ATOM 0 HG22 VAL A 62 3.833 6.552 -6.835 1.00 2.78 H new ATOM 0 HG23 VAL A 62 4.642 5.085 -6.235 1.00 2.78 H new ATOM 894 N GLY A 63 2.286 3.802 -6.310 1.00 1.13 N ATOM 895 CA GLY A 63 1.895 2.983 -5.157 1.00 1.20 C ATOM 896 C GLY A 63 1.845 3.805 -3.868 1.00 0.87 C ATOM 897 O GLY A 63 1.882 5.034 -3.914 1.00 0.90 O ATOM 0 H GLY A 63 1.994 4.774 -6.207 1.00 1.13 H new ATOM 0 HA2 GLY A 63 0.918 2.537 -5.342 1.00 1.20 H new ATOM 0 HA3 GLY A 63 2.602 2.162 -5.038 1.00 1.20 H new ATOM 901 N ALA A 64 1.754 3.124 -2.724 1.00 1.03 N ATOM 902 CA ALA A 64 1.830 3.739 -1.396 1.00 1.07 C ATOM 903 C ALA A 64 3.261 3.675 -0.832 1.00 0.98 C ATOM 904 O ALA A 64 3.940 2.661 -0.977 1.00 1.06 O ATOM 905 CB ALA A 64 0.829 3.027 -0.476 1.00 1.41 C ATOM 0 H ALA A 64 1.623 2.113 -2.693 1.00 1.03 H new ATOM 0 HA ALA A 64 1.572 4.796 -1.464 1.00 1.07 H new ATOM 0 HB1 ALA A 64 0.870 3.471 0.519 1.00 1.41 H new ATOM 0 HB2 ALA A 64 -0.177 3.135 -0.880 1.00 1.41 H new ATOM 0 HB3 ALA A 64 1.082 1.969 -0.412 1.00 1.41 H new ATOM 911 N ALA A 65 3.715 4.744 -0.170 1.00 1.11 N ATOM 912 CA ALA A 65 5.077 4.875 0.368 1.00 1.16 C ATOM 913 C ALA A 65 5.123 5.596 1.733 1.00 1.12 C ATOM 914 O ALA A 65 4.140 6.225 2.133 1.00 1.14 O ATOM 915 CB ALA A 65 5.917 5.614 -0.688 1.00 1.55 C ATOM 0 H ALA A 65 3.134 5.562 0.012 1.00 1.11 H new ATOM 0 HA ALA A 65 5.483 3.882 0.563 1.00 1.16 H new ATOM 0 HB1 ALA A 65 6.938 5.731 -0.324 1.00 1.55 H new ATOM 0 HB2 ALA A 65 5.925 5.039 -1.614 1.00 1.55 H new ATOM 0 HB3 ALA A 65 5.484 6.597 -0.875 1.00 1.55 H new ATOM 921 N THR A 66 6.272 5.526 2.429 1.00 1.14 N ATOM 922 CA THR A 66 6.526 6.172 3.735 1.00 1.19 C ATOM 923 C THR A 66 8.033 6.199 4.049 1.00 1.21 C ATOM 924 O THR A 66 8.712 5.246 3.666 1.00 1.27 O ATOM 925 CB THR A 66 5.728 5.471 4.848 1.00 1.25 C ATOM 926 OG1 THR A 66 5.907 6.169 6.051 1.00 1.58 O ATOM 927 CG2 THR A 66 6.148 4.024 5.103 1.00 1.30 C ATOM 0 H THR A 66 7.078 5.001 2.089 1.00 1.14 H new ATOM 0 HA THR A 66 6.185 7.206 3.683 1.00 1.19 H new ATOM 0 HB THR A 66 4.692 5.464 4.509 1.00 1.25 H new ATOM 0 HG1 THR A 66 5.094 6.676 6.259 1.00 1.58 H new ATOM 0 HG21 THR A 66 5.537 3.603 5.902 1.00 1.30 H new ATOM 0 HG22 THR A 66 6.010 3.439 4.194 1.00 1.30 H new ATOM 0 HG23 THR A 66 7.198 3.996 5.396 1.00 1.30 H new ATOM 935 N PRO A 67 8.561 7.236 4.736 1.00 1.27 N ATOM 936 CA PRO A 67 9.967 7.327 5.140 1.00 1.29 C ATOM 937 C PRO A 67 10.262 6.748 6.540 1.00 1.17 C ATOM 938 O PRO A 67 11.377 6.898 7.029 1.00 1.29 O ATOM 939 CB PRO A 67 10.274 8.830 5.073 1.00 1.49 C ATOM 940 CG PRO A 67 8.964 9.456 5.549 1.00 1.54 C ATOM 941 CD PRO A 67 7.907 8.523 4.958 1.00 1.45 C ATOM 0 HA PRO A 67 10.599 6.725 4.487 1.00 1.29 H new ATOM 0 HB2 PRO A 67 11.111 9.102 5.716 1.00 1.49 H new ATOM 0 HB3 PRO A 67 10.532 9.147 4.062 1.00 1.49 H new ATOM 0 HG2 PRO A 67 8.906 9.495 6.637 1.00 1.54 H new ATOM 0 HG3 PRO A 67 8.849 10.478 5.187 1.00 1.54 H new ATOM 0 HD2 PRO A 67 7.062 8.416 5.638 1.00 1.45 H new ATOM 0 HD3 PRO A 67 7.515 8.924 4.023 1.00 1.45 H new ATOM 949 N LEU A 68 9.291 6.118 7.223 1.00 1.07 N ATOM 950 CA LEU A 68 9.439 5.616 8.609 1.00 1.10 C ATOM 951 C LEU A 68 10.233 4.291 8.727 1.00 1.07 C ATOM 952 O LEU A 68 10.685 3.923 9.818 1.00 1.22 O ATOM 953 CB LEU A 68 8.026 5.462 9.223 1.00 1.22 C ATOM 954 CG LEU A 68 7.409 6.723 9.874 1.00 1.50 C ATOM 955 CD1 LEU A 68 8.155 7.108 11.162 1.00 2.75 C ATOM 956 CD2 LEU A 68 7.343 7.940 8.938 1.00 2.25 C ATOM 0 H LEU A 68 8.368 5.939 6.827 1.00 1.07 H new ATOM 0 HA LEU A 68 10.032 6.347 9.158 1.00 1.10 H new ATOM 0 HB2 LEU A 68 7.350 5.119 8.440 1.00 1.22 H new ATOM 0 HB3 LEU A 68 8.066 4.675 9.977 1.00 1.22 H new ATOM 0 HG LEU A 68 6.381 6.445 10.109 1.00 1.50 H new ATOM 0 HD11 LEU A 68 7.698 7.997 11.595 1.00 2.75 H new ATOM 0 HD12 LEU A 68 8.097 6.286 11.875 1.00 2.75 H new ATOM 0 HD13 LEU A 68 9.200 7.314 10.930 1.00 2.75 H new ATOM 0 HD21 LEU A 68 6.899 8.783 9.468 1.00 2.25 H new ATOM 0 HD22 LEU A 68 8.349 8.205 8.614 1.00 2.25 H new ATOM 0 HD23 LEU A 68 6.734 7.697 8.067 1.00 2.25 H new ATOM 968 N ALA A 69 10.403 3.591 7.604 1.00 1.07 N ATOM 969 CA ALA A 69 11.212 2.388 7.470 1.00 1.12 C ATOM 970 C ALA A 69 12.596 2.727 6.914 1.00 1.19 C ATOM 971 O ALA A 69 12.729 3.607 6.064 1.00 1.42 O ATOM 972 CB ALA A 69 10.456 1.413 6.558 1.00 1.28 C ATOM 0 H ALA A 69 9.959 3.863 6.727 1.00 1.07 H new ATOM 0 HA ALA A 69 11.373 1.924 8.443 1.00 1.12 H new ATOM 0 HB1 ALA A 69 11.039 0.500 6.439 1.00 1.28 H new ATOM 0 HB2 ALA A 69 9.491 1.172 7.004 1.00 1.28 H new ATOM 0 HB3 ALA A 69 10.300 1.874 5.583 1.00 1.28 H new ATOM 978 N THR A 70 13.617 1.966 7.325 1.00 1.14 N ATOM 979 CA THR A 70 14.946 1.980 6.687 1.00 1.18 C ATOM 980 C THR A 70 14.872 1.352 5.293 1.00 1.08 C ATOM 981 O THR A 70 15.658 1.678 4.413 1.00 1.20 O ATOM 982 CB THR A 70 15.998 1.281 7.560 1.00 1.34 C ATOM 983 OG1 THR A 70 15.947 1.797 8.870 1.00 1.53 O ATOM 984 CG2 THR A 70 17.425 1.498 7.054 1.00 1.86 C ATOM 0 H THR A 70 13.548 1.320 8.111 1.00 1.14 H new ATOM 0 HA THR A 70 15.260 3.018 6.579 1.00 1.18 H new ATOM 0 HB THR A 70 15.764 0.217 7.526 1.00 1.34 H new ATOM 0 HG1 THR A 70 15.312 1.274 9.403 1.00 1.53 H new ATOM 0 HG21 THR A 70 18.126 0.981 7.710 1.00 1.86 H new ATOM 0 HG22 THR A 70 17.516 1.103 6.042 1.00 1.86 H new ATOM 0 HG23 THR A 70 17.651 2.564 7.049 1.00 1.86 H new ATOM 992 N SER A 71 13.901 0.477 5.038 1.00 1.00 N ATOM 993 CA SER A 71 13.628 -0.065 3.700 1.00 0.99 C ATOM 994 C SER A 71 12.132 -0.370 3.505 1.00 0.88 C ATOM 995 O SER A 71 11.695 -1.500 3.757 1.00 0.93 O ATOM 996 CB SER A 71 14.494 -1.308 3.461 1.00 1.11 C ATOM 997 OG SER A 71 15.852 -0.938 3.278 1.00 1.85 O ATOM 0 H SER A 71 13.274 0.118 5.758 1.00 1.00 H new ATOM 0 HA SER A 71 13.889 0.690 2.959 1.00 0.99 H new ATOM 0 HB2 SER A 71 14.407 -1.988 4.308 1.00 1.11 H new ATOM 0 HB3 SER A 71 14.135 -1.845 2.583 1.00 1.11 H new ATOM 0 HG SER A 71 15.978 -0.008 3.560 1.00 1.85 H new ATOM 1003 N PRO A 72 11.322 0.623 3.068 1.00 0.92 N ATOM 1004 CA PRO A 72 9.965 0.372 2.606 1.00 0.92 C ATOM 1005 C PRO A 72 10.048 -0.474 1.333 1.00 0.99 C ATOM 1006 O PRO A 72 10.766 -0.140 0.395 1.00 1.18 O ATOM 1007 CB PRO A 72 9.328 1.747 2.384 1.00 1.10 C ATOM 1008 CG PRO A 72 10.522 2.637 2.050 1.00 1.22 C ATOM 1009 CD PRO A 72 11.660 2.032 2.873 1.00 1.10 C ATOM 0 HA PRO A 72 9.351 -0.184 3.315 1.00 0.92 H new ATOM 0 HB2 PRO A 72 8.601 1.727 1.572 1.00 1.10 H new ATOM 0 HB3 PRO A 72 8.803 2.095 3.273 1.00 1.10 H new ATOM 0 HG2 PRO A 72 10.747 2.623 0.984 1.00 1.22 H new ATOM 0 HG3 PRO A 72 10.337 3.676 2.324 1.00 1.22 H new ATOM 0 HD2 PRO A 72 12.613 2.135 2.354 1.00 1.10 H new ATOM 0 HD3 PRO A 72 11.762 2.543 3.830 1.00 1.10 H new ATOM 1017 N MET A 73 9.338 -1.597 1.342 1.00 0.94 N ATOM 1018 CA MET A 73 9.500 -2.721 0.424 1.00 0.94 C ATOM 1019 C MET A 73 8.106 -3.118 -0.049 1.00 0.85 C ATOM 1020 O MET A 73 7.250 -3.415 0.777 1.00 1.00 O ATOM 1021 CB MET A 73 10.181 -3.841 1.226 1.00 1.06 C ATOM 1022 CG MET A 73 10.335 -5.169 0.480 1.00 1.07 C ATOM 1023 SD MET A 73 11.459 -5.165 -0.937 1.00 2.32 S ATOM 1024 CE MET A 73 11.494 -6.955 -1.208 1.00 2.59 C ATOM 0 H MET A 73 8.596 -1.757 2.024 1.00 0.94 H new ATOM 0 HA MET A 73 10.107 -2.492 -0.452 1.00 0.94 H new ATOM 0 HB2 MET A 73 11.169 -3.498 1.534 1.00 1.06 H new ATOM 0 HB3 MET A 73 9.607 -4.017 2.136 1.00 1.06 H new ATOM 0 HG2 MET A 73 10.680 -5.922 1.189 1.00 1.07 H new ATOM 0 HG3 MET A 73 9.350 -5.484 0.135 1.00 1.07 H new ATOM 0 HE1 MET A 73 12.142 -7.182 -2.054 1.00 2.59 H new ATOM 0 HE2 MET A 73 11.875 -7.451 -0.315 1.00 2.59 H new ATOM 0 HE3 MET A 73 10.485 -7.311 -1.418 1.00 2.59 H new ATOM 1034 N LEU A 74 7.843 -3.089 -1.357 1.00 0.88 N ATOM 1035 CA LEU A 74 6.472 -3.020 -1.870 1.00 1.02 C ATOM 1036 C LEU A 74 6.264 -3.795 -3.173 1.00 1.24 C ATOM 1037 O LEU A 74 6.842 -3.479 -4.216 1.00 1.70 O ATOM 1038 CB LEU A 74 6.021 -1.538 -1.943 1.00 1.58 C ATOM 1039 CG LEU A 74 6.670 -0.592 -2.986 1.00 1.62 C ATOM 1040 CD1 LEU A 74 6.032 0.795 -2.845 1.00 2.91 C ATOM 1041 CD2 LEU A 74 8.193 -0.440 -2.855 1.00 2.34 C ATOM 0 H LEU A 74 8.561 -3.112 -2.081 1.00 0.88 H new ATOM 0 HA LEU A 74 5.819 -3.536 -1.166 1.00 1.02 H new ATOM 0 HB2 LEU A 74 4.946 -1.532 -2.122 1.00 1.58 H new ATOM 0 HB3 LEU A 74 6.183 -1.099 -0.959 1.00 1.58 H new ATOM 0 HG LEU A 74 6.490 -1.044 -3.962 1.00 1.62 H new ATOM 0 HD11 LEU A 74 6.476 1.475 -3.571 1.00 2.91 H new ATOM 0 HD12 LEU A 74 4.959 0.722 -3.025 1.00 2.91 H new ATOM 0 HD13 LEU A 74 6.206 1.175 -1.838 1.00 2.91 H new ATOM 0 HD21 LEU A 74 8.558 0.239 -3.625 1.00 2.34 H new ATOM 0 HD22 LEU A 74 8.435 -0.037 -1.871 1.00 2.34 H new ATOM 0 HD23 LEU A 74 8.668 -1.414 -2.975 1.00 2.34 H new ATOM 1053 N MET A 75 5.360 -4.775 -3.123 1.00 1.20 N ATOM 1054 CA MET A 75 4.807 -5.490 -4.274 1.00 1.84 C ATOM 1055 C MET A 75 3.283 -5.663 -4.111 1.00 1.90 C ATOM 1056 O MET A 75 2.700 -5.280 -3.101 1.00 2.17 O ATOM 1057 CB MET A 75 5.528 -6.844 -4.447 1.00 2.23 C ATOM 1058 CG MET A 75 6.983 -6.652 -4.903 1.00 3.33 C ATOM 1059 SD MET A 75 8.213 -6.734 -3.574 1.00 3.65 S ATOM 1060 CE MET A 75 9.480 -5.659 -4.281 1.00 5.74 C ATOM 0 H MET A 75 4.976 -5.107 -2.238 1.00 1.20 H new ATOM 0 HA MET A 75 4.973 -4.908 -5.181 1.00 1.84 H new ATOM 0 HB2 MET A 75 5.510 -7.390 -3.504 1.00 2.23 H new ATOM 0 HB3 MET A 75 4.994 -7.451 -5.177 1.00 2.23 H new ATOM 0 HG2 MET A 75 7.220 -7.414 -5.646 1.00 3.33 H new ATOM 0 HG3 MET A 75 7.069 -5.685 -5.399 1.00 3.33 H new ATOM 0 HE1 MET A 75 10.401 -5.756 -3.706 1.00 5.74 H new ATOM 0 HE2 MET A 75 9.666 -5.947 -5.316 1.00 5.74 H new ATOM 0 HE3 MET A 75 9.139 -4.624 -4.248 1.00 5.74 H new ATOM 1070 N THR A 76 2.660 -6.284 -5.112 1.00 1.95 N ATOM 1071 CA THR A 76 1.448 -7.105 -5.069 1.00 1.79 C ATOM 1072 C THR A 76 1.202 -7.579 -6.484 1.00 2.37 C ATOM 1073 O THR A 76 1.498 -6.865 -7.439 1.00 3.40 O ATOM 1074 CB THR A 76 0.205 -6.415 -4.498 1.00 2.64 C ATOM 1075 OG1 THR A 76 -0.696 -7.436 -4.150 1.00 3.66 O ATOM 1076 CG2 THR A 76 -0.488 -5.454 -5.468 1.00 3.49 C ATOM 0 H THR A 76 3.024 -6.220 -6.063 1.00 1.95 H new ATOM 0 HA THR A 76 1.620 -7.925 -4.372 1.00 1.79 H new ATOM 0 HB THR A 76 0.520 -5.803 -3.653 1.00 2.64 H new ATOM 0 HG1 THR A 76 -0.561 -7.685 -3.212 1.00 3.66 H new ATOM 0 HG21 THR A 76 -1.357 -5.010 -4.982 1.00 3.49 H new ATOM 0 HG22 THR A 76 0.207 -4.666 -5.758 1.00 3.49 H new ATOM 0 HG23 THR A 76 -0.808 -6.000 -6.355 1.00 3.49 H new ATOM 1084 N THR A 77 0.674 -8.786 -6.641 1.00 1.94 N ATOM 1085 CA THR A 77 0.216 -9.332 -7.920 1.00 2.72 C ATOM 1086 C THR A 77 -0.502 -10.644 -7.643 1.00 1.85 C ATOM 1087 O THR A 77 -0.087 -11.401 -6.769 1.00 2.39 O ATOM 1088 CB THR A 77 1.317 -9.541 -8.981 1.00 3.96 C ATOM 1089 OG1 THR A 77 2.545 -8.896 -8.738 1.00 4.73 O ATOM 1090 CG2 THR A 77 0.829 -9.065 -10.345 1.00 5.95 C ATOM 0 H THR A 77 0.547 -9.433 -5.863 1.00 1.94 H new ATOM 0 HA THR A 77 -0.446 -8.586 -8.360 1.00 2.72 H new ATOM 0 HB THR A 77 1.508 -10.613 -8.940 1.00 3.96 H new ATOM 0 HG1 THR A 77 2.384 -7.950 -8.537 1.00 4.73 H new ATOM 0 HG21 THR A 77 1.614 -9.217 -11.086 1.00 5.95 H new ATOM 0 HG22 THR A 77 -0.056 -9.632 -10.633 1.00 5.95 H new ATOM 0 HG23 THR A 77 0.580 -8.005 -10.293 1.00 5.95 H new ATOM 1098 N THR A 78 -1.577 -10.874 -8.391 1.00 2.32 N ATOM 1099 CA THR A 78 -2.596 -11.926 -8.252 1.00 2.28 C ATOM 1100 C THR A 78 -3.692 -11.591 -9.254 1.00 2.50 C ATOM 1101 O THR A 78 -3.703 -10.483 -9.789 1.00 3.68 O ATOM 1102 CB THR A 78 -3.111 -12.057 -6.803 1.00 3.88 C ATOM 1103 OG1 THR A 78 -4.060 -13.088 -6.772 1.00 4.24 O ATOM 1104 CG2 THR A 78 -3.760 -10.779 -6.264 1.00 5.85 C ATOM 0 H THR A 78 -1.782 -10.273 -9.189 1.00 2.32 H new ATOM 0 HA THR A 78 -2.178 -12.910 -8.467 1.00 2.28 H new ATOM 0 HB THR A 78 -2.249 -12.264 -6.169 1.00 3.88 H new ATOM 0 HG1 THR A 78 -4.401 -13.191 -5.859 1.00 4.24 H new ATOM 0 HG21 THR A 78 -4.098 -10.946 -5.241 1.00 5.85 H new ATOM 0 HG22 THR A 78 -3.032 -9.968 -6.278 1.00 5.85 H new ATOM 0 HG23 THR A 78 -4.613 -10.512 -6.889 1.00 5.85 H new ATOM 1112 N HIS A 79 -4.612 -12.506 -9.527 1.00 2.46 N ATOM 1113 CA HIS A 79 -5.750 -12.178 -10.385 1.00 3.17 C ATOM 1114 C HIS A 79 -6.690 -11.206 -9.638 1.00 3.48 C ATOM 1115 O HIS A 79 -7.481 -11.597 -8.782 1.00 4.74 O ATOM 1116 CB HIS A 79 -6.460 -13.441 -10.907 1.00 4.39 C ATOM 1117 CG HIS A 79 -7.333 -13.218 -12.129 1.00 5.32 C ATOM 1118 ND1 HIS A 79 -7.753 -14.188 -13.019 1.00 6.44 N ATOM 1119 CD2 HIS A 79 -7.838 -12.027 -12.591 1.00 6.20 C ATOM 1120 CE1 HIS A 79 -8.474 -13.590 -13.985 1.00 7.58 C ATOM 1121 NE2 HIS A 79 -8.560 -12.264 -13.768 1.00 7.61 N ATOM 0 H HIS A 79 -4.598 -13.464 -9.177 1.00 2.46 H new ATOM 0 HA HIS A 79 -5.393 -11.670 -11.281 1.00 3.17 H new ATOM 0 HB2 HIS A 79 -5.707 -14.192 -11.147 1.00 4.39 H new ATOM 0 HB3 HIS A 79 -7.076 -13.852 -10.107 1.00 4.39 H new ATOM 0 HD1 HIS A 79 -7.551 -15.186 -12.955 1.00 6.44 H new ATOM 0 HD2 HIS A 79 -7.701 -11.064 -12.123 1.00 6.20 H new ATOM 0 HE1 HIS A 79 -8.923 -14.104 -14.822 1.00 7.58 H new ATOM 1129 N SER A 80 -6.577 -9.909 -9.943 1.00 2.86 N ATOM 1130 CA SER A 80 -7.534 -8.888 -9.476 1.00 3.44 C ATOM 1131 C SER A 80 -8.783 -8.882 -10.375 1.00 3.55 C ATOM 1132 O SER A 80 -9.828 -9.431 -10.009 1.00 4.85 O ATOM 1133 CB SER A 80 -6.854 -7.503 -9.417 1.00 3.67 C ATOM 1134 OG SER A 80 -7.731 -6.531 -8.852 1.00 5.09 O ATOM 0 H SER A 80 -5.823 -9.533 -10.519 1.00 2.86 H new ATOM 0 HA SER A 80 -7.859 -9.133 -8.465 1.00 3.44 H new ATOM 0 HB2 SER A 80 -5.942 -7.566 -8.823 1.00 3.67 H new ATOM 0 HB3 SER A 80 -6.560 -7.194 -10.420 1.00 3.67 H new ATOM 0 HG SER A 80 -7.363 -5.634 -8.998 1.00 5.09 H new ATOM 1140 N GLY A 81 -8.653 -8.305 -11.582 1.00 2.75 N ATOM 1141 CA GLY A 81 -9.733 -8.152 -12.559 1.00 3.11 C ATOM 1142 C GLY A 81 -9.228 -7.989 -13.993 1.00 2.93 C ATOM 1143 O GLY A 81 -9.470 -6.953 -14.605 1.00 3.58 O ATOM 0 H GLY A 81 -7.766 -7.923 -11.910 1.00 2.75 H new ATOM 0 HA2 GLY A 81 -10.387 -9.022 -12.508 1.00 3.11 H new ATOM 0 HA3 GLY A 81 -10.336 -7.284 -12.292 1.00 3.11 H new ATOM 1147 N GLY A 82 -8.531 -9.008 -14.518 1.00 2.87 N ATOM 1148 CA GLY A 82 -8.069 -9.069 -15.914 1.00 3.14 C ATOM 1149 C GLY A 82 -6.561 -8.865 -16.087 1.00 2.92 C ATOM 1150 O GLY A 82 -6.055 -9.012 -17.200 1.00 3.32 O ATOM 0 H GLY A 82 -8.267 -9.829 -13.974 1.00 2.87 H new ATOM 0 HA2 GLY A 82 -8.344 -10.037 -16.334 1.00 3.14 H new ATOM 0 HA3 GLY A 82 -8.595 -8.310 -16.492 1.00 3.14 H new ATOM 1154 N MET A 83 -5.859 -8.585 -14.982 1.00 2.50 N ATOM 1155 CA MET A 83 -4.404 -8.569 -14.834 1.00 2.37 C ATOM 1156 C MET A 83 -3.990 -9.518 -13.696 1.00 2.30 C ATOM 1157 O MET A 83 -4.755 -9.678 -12.737 1.00 2.55 O ATOM 1158 CB MET A 83 -3.949 -7.118 -14.573 1.00 2.31 C ATOM 1159 CG MET A 83 -2.429 -6.944 -14.449 1.00 2.75 C ATOM 1160 SD MET A 83 -1.500 -7.412 -15.929 1.00 4.13 S ATOM 1161 CE MET A 83 0.178 -7.125 -15.310 1.00 4.80 C ATOM 0 H MET A 83 -6.329 -8.347 -14.108 1.00 2.50 H new ATOM 0 HA MET A 83 -3.919 -8.921 -15.744 1.00 2.37 H new ATOM 0 HB2 MET A 83 -4.310 -6.485 -15.384 1.00 2.31 H new ATOM 0 HB3 MET A 83 -4.419 -6.762 -13.657 1.00 2.31 H new ATOM 0 HG2 MET A 83 -2.213 -5.902 -14.214 1.00 2.75 H new ATOM 0 HG3 MET A 83 -2.075 -7.541 -13.609 1.00 2.75 H new ATOM 0 HE1 MET A 83 0.900 -7.362 -16.092 1.00 4.80 H new ATOM 0 HE2 MET A 83 0.286 -6.079 -15.022 1.00 4.80 H new ATOM 0 HE3 MET A 83 0.360 -7.761 -14.444 1.00 4.80 H new ATOM 1171 N ALA A 84 -2.802 -10.134 -13.795 1.00 2.23 N ATOM 1172 CA ALA A 84 -2.334 -11.169 -12.865 1.00 2.33 C ATOM 1173 C ALA A 84 -0.794 -11.309 -12.829 1.00 2.53 C ATOM 1174 O ALA A 84 -0.098 -10.666 -13.603 1.00 2.71 O ATOM 1175 CB ALA A 84 -3.029 -12.500 -13.208 1.00 2.83 C ATOM 0 H ALA A 84 -2.131 -9.923 -14.534 1.00 2.23 H new ATOM 0 HA ALA A 84 -2.608 -10.866 -11.854 1.00 2.33 H new ATOM 0 HB1 ALA A 84 -2.688 -13.276 -12.522 1.00 2.83 H new ATOM 0 HB2 ALA A 84 -4.108 -12.382 -13.114 1.00 2.83 H new ATOM 0 HB3 ALA A 84 -2.783 -12.786 -14.231 1.00 2.83 H new ATOM 1181 N GLY A 85 -0.262 -12.140 -11.919 1.00 2.75 N ATOM 1182 CA GLY A 85 1.167 -12.424 -11.742 1.00 3.17 C ATOM 1183 C GLY A 85 1.477 -12.918 -10.326 1.00 3.31 C ATOM 1184 O GLY A 85 0.623 -13.534 -9.682 1.00 3.98 O ATOM 0 H GLY A 85 -0.844 -12.654 -11.258 1.00 2.75 H new ATOM 0 HA2 GLY A 85 1.481 -13.176 -12.466 1.00 3.17 H new ATOM 0 HA3 GLY A 85 1.745 -11.523 -11.947 1.00 3.17 H new ATOM 1188 N MET A 86 2.689 -12.610 -9.854 1.00 3.13 N ATOM 1189 CA MET A 86 3.146 -12.720 -8.454 1.00 3.35 C ATOM 1190 C MET A 86 4.440 -11.909 -8.241 1.00 2.99 C ATOM 1191 O MET A 86 5.393 -12.079 -9.003 1.00 3.48 O ATOM 1192 CB MET A 86 3.347 -14.203 -8.071 1.00 4.62 C ATOM 1193 CG MET A 86 3.865 -14.399 -6.639 1.00 5.93 C ATOM 1194 SD MET A 86 4.142 -16.130 -6.202 1.00 7.19 S ATOM 1195 CE MET A 86 5.023 -15.881 -4.637 1.00 8.47 C ATOM 0 H MET A 86 3.423 -12.257 -10.468 1.00 3.13 H new ATOM 0 HA MET A 86 2.379 -12.302 -7.801 1.00 3.35 H new ATOM 0 HB2 MET A 86 2.400 -14.731 -8.182 1.00 4.62 H new ATOM 0 HB3 MET A 86 4.049 -14.659 -8.769 1.00 4.62 H new ATOM 0 HG2 MET A 86 4.799 -13.849 -6.521 1.00 5.93 H new ATOM 0 HG3 MET A 86 3.149 -13.966 -5.940 1.00 5.93 H new ATOM 0 HE1 MET A 86 5.283 -16.849 -4.208 1.00 8.47 H new ATOM 0 HE2 MET A 86 5.933 -15.309 -4.819 1.00 8.47 H new ATOM 0 HE3 MET A 86 4.384 -15.336 -3.943 1.00 8.47 H new ATOM 1205 N LYS A 87 4.500 -11.086 -7.184 1.00 2.71 N ATOM 1206 CA LYS A 87 5.750 -10.522 -6.640 1.00 2.68 C ATOM 1207 C LYS A 87 6.530 -9.630 -7.644 1.00 2.03 C ATOM 1208 O LYS A 87 7.744 -9.752 -7.769 1.00 2.18 O ATOM 1209 CB LYS A 87 6.558 -11.694 -6.010 1.00 3.90 C ATOM 1210 CG LYS A 87 7.927 -11.431 -5.345 1.00 4.40 C ATOM 1211 CD LYS A 87 8.038 -10.103 -4.582 1.00 5.48 C ATOM 1212 CE LYS A 87 9.139 -10.135 -3.522 1.00 6.76 C ATOM 1213 NZ LYS A 87 10.488 -10.011 -4.121 1.00 7.45 N ATOM 0 H LYS A 87 3.669 -10.787 -6.673 1.00 2.71 H new ATOM 0 HA LYS A 87 5.526 -9.800 -5.854 1.00 2.68 H new ATOM 0 HB2 LYS A 87 5.919 -12.159 -5.259 1.00 3.90 H new ATOM 0 HB3 LYS A 87 6.718 -12.434 -6.795 1.00 3.90 H new ATOM 0 HG2 LYS A 87 8.141 -12.247 -4.655 1.00 4.40 H new ATOM 0 HG3 LYS A 87 8.698 -11.455 -6.115 1.00 4.40 H new ATOM 0 HD2 LYS A 87 8.239 -9.297 -5.287 1.00 5.48 H new ATOM 0 HD3 LYS A 87 7.084 -9.879 -4.105 1.00 5.48 H new ATOM 0 HE2 LYS A 87 8.982 -9.324 -2.811 1.00 6.76 H new ATOM 0 HE3 LYS A 87 9.075 -11.067 -2.961 1.00 6.76 H new ATOM 0 HZ1 LYS A 87 11.206 -10.037 -3.369 1.00 7.45 H new ATOM 0 HZ2 LYS A 87 10.649 -10.799 -4.780 1.00 7.45 H new ATOM 0 HZ3 LYS A 87 10.558 -9.110 -4.635 1.00 7.45 H new ATOM 1227 N MET A 88 5.869 -8.667 -8.308 1.00 2.61 N ATOM 1228 CA MET A 88 6.530 -7.699 -9.217 1.00 3.10 C ATOM 1229 C MET A 88 5.882 -6.303 -9.185 1.00 2.91 C ATOM 1230 O MET A 88 5.023 -6.017 -10.011 1.00 3.90 O ATOM 1231 CB MET A 88 6.544 -8.231 -10.671 1.00 4.56 C ATOM 1232 CG MET A 88 7.316 -9.539 -10.880 1.00 5.45 C ATOM 1233 SD MET A 88 7.590 -9.990 -12.615 1.00 6.89 S ATOM 1234 CE MET A 88 5.880 -10.258 -13.156 1.00 8.65 C ATOM 0 H MET A 88 4.861 -8.533 -8.234 1.00 2.61 H new ATOM 0 HA MET A 88 7.552 -7.593 -8.853 1.00 3.10 H new ATOM 0 HB2 MET A 88 5.514 -8.379 -10.997 1.00 4.56 H new ATOM 0 HB3 MET A 88 6.975 -7.466 -11.317 1.00 4.56 H new ATOM 0 HG2 MET A 88 8.283 -9.457 -10.383 1.00 5.45 H new ATOM 0 HG3 MET A 88 6.773 -10.347 -10.390 1.00 5.45 H new ATOM 0 HE1 MET A 88 5.877 -10.646 -14.175 1.00 8.65 H new ATOM 0 HE2 MET A 88 5.397 -10.976 -12.493 1.00 8.65 H new ATOM 0 HE3 MET A 88 5.337 -9.314 -13.126 1.00 8.65 H new ATOM 1244 N VAL A 89 6.319 -5.435 -8.250 1.00 2.11 N ATOM 1245 CA VAL A 89 5.832 -4.041 -8.050 1.00 1.86 C ATOM 1246 C VAL A 89 4.383 -4.064 -7.497 1.00 1.60 C ATOM 1247 O VAL A 89 3.751 -5.116 -7.587 1.00 2.28 O ATOM 1248 CB VAL A 89 5.978 -3.174 -9.342 1.00 2.36 C ATOM 1249 CG1 VAL A 89 5.699 -1.680 -9.110 1.00 2.57 C ATOM 1250 CG2 VAL A 89 7.416 -3.268 -9.900 1.00 2.98 C ATOM 0 H VAL A 89 7.049 -5.689 -7.584 1.00 2.11 H new ATOM 0 HA VAL A 89 6.464 -3.555 -7.307 1.00 1.86 H new ATOM 0 HB VAL A 89 5.240 -3.575 -10.036 1.00 2.36 H new ATOM 0 HG11 VAL A 89 5.818 -1.138 -10.048 1.00 2.57 H new ATOM 0 HG12 VAL A 89 4.680 -1.553 -8.744 1.00 2.57 H new ATOM 0 HG13 VAL A 89 6.401 -1.289 -8.373 1.00 2.57 H new ATOM 0 HG21 VAL A 89 7.498 -2.658 -10.799 1.00 2.98 H new ATOM 0 HG22 VAL A 89 8.121 -2.907 -9.151 1.00 2.98 H new ATOM 0 HG23 VAL A 89 7.645 -4.306 -10.143 1.00 2.98 H new ATOM 1260 N PRO A 90 3.846 -3.025 -6.816 1.00 1.20 N ATOM 1261 CA PRO A 90 2.429 -2.989 -6.456 1.00 1.35 C ATOM 1262 C PRO A 90 1.560 -2.326 -7.513 1.00 1.65 C ATOM 1263 O PRO A 90 0.420 -2.736 -7.688 1.00 3.31 O ATOM 1264 CB PRO A 90 2.308 -2.176 -5.167 1.00 1.44 C ATOM 1265 CG PRO A 90 3.744 -1.864 -4.760 1.00 1.62 C ATOM 1266 CD PRO A 90 4.543 -1.998 -6.056 1.00 1.23 C ATOM 0 HA PRO A 90 2.082 -4.017 -6.349 1.00 1.35 H new ATOM 0 HB2 PRO A 90 1.736 -1.262 -5.329 1.00 1.44 H new ATOM 0 HB3 PRO A 90 1.792 -2.741 -4.391 1.00 1.44 H new ATOM 0 HG2 PRO A 90 3.830 -0.861 -4.342 1.00 1.62 H new ATOM 0 HG3 PRO A 90 4.101 -2.558 -3.999 1.00 1.62 H new ATOM 0 HD2 PRO A 90 4.574 -1.055 -6.601 1.00 1.23 H new ATOM 0 HD3 PRO A 90 5.575 -2.285 -5.857 1.00 1.23 H new ATOM 1274 N TRP A 91 2.092 -1.247 -8.109 1.00 1.31 N ATOM 1275 CA TRP A 91 1.391 -0.187 -8.837 1.00 1.46 C ATOM 1276 C TRP A 91 0.183 0.437 -8.102 1.00 1.86 C ATOM 1277 O TRP A 91 -0.326 -0.041 -7.089 1.00 2.43 O ATOM 1278 CB TRP A 91 1.103 -0.614 -10.294 1.00 1.77 C ATOM 1279 CG TRP A 91 0.395 -1.916 -10.529 1.00 1.98 C ATOM 1280 CD1 TRP A 91 -0.911 -2.182 -10.282 1.00 1.85 C ATOM 1281 CD2 TRP A 91 0.973 -3.175 -10.999 1.00 2.71 C ATOM 1282 NE1 TRP A 91 -1.166 -3.515 -10.536 1.00 2.39 N ATOM 1283 CE2 TRP A 91 -0.055 -4.164 -11.031 1.00 3.00 C ATOM 1284 CE3 TRP A 91 2.268 -3.595 -11.373 1.00 3.31 C ATOM 1285 CZ2 TRP A 91 0.175 -5.481 -11.462 1.00 3.86 C ATOM 1286 CZ3 TRP A 91 2.511 -4.912 -11.808 1.00 4.15 C ATOM 1287 CH2 TRP A 91 1.469 -5.851 -11.867 1.00 4.44 C ATOM 0 H TRP A 91 3.099 -1.084 -8.091 1.00 1.31 H new ATOM 0 HA TRP A 91 2.082 0.655 -8.879 1.00 1.46 H new ATOM 0 HB2 TRP A 91 0.512 0.174 -10.760 1.00 1.77 H new ATOM 0 HB3 TRP A 91 2.055 -0.654 -10.823 1.00 1.77 H new ATOM 0 HD1 TRP A 91 -1.640 -1.462 -9.939 1.00 1.85 H new ATOM 0 HE1 TRP A 91 -2.067 -3.965 -10.377 1.00 2.39 H new ATOM 0 HE3 TRP A 91 3.087 -2.893 -11.325 1.00 3.31 H new ATOM 0 HZ2 TRP A 91 -0.631 -6.199 -11.482 1.00 3.86 H new ATOM 0 HZ3 TRP A 91 3.509 -5.203 -12.099 1.00 4.15 H new ATOM 0 HH2 TRP A 91 1.661 -6.853 -12.222 1.00 4.44 H new ATOM 1298 N LEU A 92 -0.300 1.550 -8.658 1.00 2.06 N ATOM 1299 CA LEU A 92 -1.672 2.034 -8.514 1.00 2.69 C ATOM 1300 C LEU A 92 -2.128 2.733 -9.810 1.00 2.21 C ATOM 1301 O LEU A 92 -2.958 3.636 -9.777 1.00 2.89 O ATOM 1302 CB LEU A 92 -1.821 2.878 -7.228 1.00 4.22 C ATOM 1303 CG LEU A 92 -3.304 3.045 -6.809 1.00 5.09 C ATOM 1304 CD1 LEU A 92 -3.519 2.563 -5.369 1.00 6.60 C ATOM 1305 CD2 LEU A 92 -3.868 4.476 -6.845 1.00 6.17 C ATOM 0 H LEU A 92 0.274 2.159 -9.241 1.00 2.06 H new ATOM 0 HA LEU A 92 -2.356 1.196 -8.380 1.00 2.69 H new ATOM 0 HB2 LEU A 92 -1.267 2.404 -6.418 1.00 4.22 H new ATOM 0 HB3 LEU A 92 -1.377 3.861 -7.386 1.00 4.22 H new ATOM 0 HG LEU A 92 -3.828 2.454 -7.560 1.00 5.09 H new ATOM 0 HD11 LEU A 92 -4.567 2.689 -5.096 1.00 6.60 H new ATOM 0 HD12 LEU A 92 -3.249 1.510 -5.294 1.00 6.60 H new ATOM 0 HD13 LEU A 92 -2.895 3.147 -4.693 1.00 6.60 H new ATOM 0 HD21 LEU A 92 -4.912 4.464 -6.532 1.00 6.17 H new ATOM 0 HD22 LEU A 92 -3.294 5.110 -6.170 1.00 6.17 H new ATOM 0 HD23 LEU A 92 -3.798 4.869 -7.859 1.00 6.17 H new ATOM 1317 N THR A 93 -1.602 2.310 -10.970 1.00 2.05 N ATOM 1318 CA THR A 93 -2.170 2.655 -12.277 1.00 2.49 C ATOM 1319 C THR A 93 -3.311 1.685 -12.558 1.00 2.19 C ATOM 1320 O THR A 93 -3.154 0.470 -12.453 1.00 2.47 O ATOM 1321 CB THR A 93 -1.088 2.734 -13.364 1.00 3.67 C ATOM 1322 OG1 THR A 93 -1.610 3.451 -14.458 1.00 4.18 O ATOM 1323 CG2 THR A 93 -0.540 1.397 -13.864 1.00 4.83 C ATOM 0 H THR A 93 -0.772 1.720 -11.025 1.00 2.05 H new ATOM 0 HA THR A 93 -2.591 3.661 -12.276 1.00 2.49 H new ATOM 0 HB THR A 93 -0.238 3.228 -12.894 1.00 3.67 H new ATOM 0 HG1 THR A 93 -0.931 3.513 -15.162 1.00 4.18 H new ATOM 0 HG21 THR A 93 0.216 1.577 -14.628 1.00 4.83 H new ATOM 0 HG22 THR A 93 -0.093 0.853 -13.032 1.00 4.83 H new ATOM 0 HG23 THR A 93 -1.352 0.807 -14.289 1.00 4.83 H new ATOM 1331 N ILE A 94 -4.498 2.219 -12.828 1.00 2.02 N ATOM 1332 CA ILE A 94 -5.722 1.427 -13.011 1.00 1.88 C ATOM 1333 C ILE A 94 -6.022 1.321 -14.518 1.00 2.06 C ATOM 1334 O ILE A 94 -6.255 2.356 -15.145 1.00 2.39 O ATOM 1335 CB ILE A 94 -6.890 2.039 -12.185 1.00 2.17 C ATOM 1336 CG1 ILE A 94 -6.907 1.555 -10.714 1.00 2.95 C ATOM 1337 CG2 ILE A 94 -8.280 1.695 -12.753 1.00 3.12 C ATOM 1338 CD1 ILE A 94 -5.691 1.943 -9.872 1.00 4.57 C ATOM 0 H ILE A 94 -4.645 3.223 -12.928 1.00 2.02 H new ATOM 0 HA ILE A 94 -5.590 0.414 -12.632 1.00 1.88 H new ATOM 0 HB ILE A 94 -6.702 3.111 -12.243 1.00 2.17 H new ATOM 0 HG12 ILE A 94 -7.801 1.951 -10.231 1.00 2.95 H new ATOM 0 HG13 ILE A 94 -6.997 0.469 -10.710 1.00 2.95 H new ATOM 0 HG21 ILE A 94 -9.050 2.152 -12.131 1.00 3.12 H new ATOM 0 HG22 ILE A 94 -8.362 2.076 -13.771 1.00 3.12 H new ATOM 0 HG23 ILE A 94 -8.413 0.613 -12.759 1.00 3.12 H new ATOM 0 HD11 ILE A 94 -5.809 1.553 -8.861 1.00 4.57 H new ATOM 0 HD12 ILE A 94 -4.790 1.524 -10.320 1.00 4.57 H new ATOM 0 HD13 ILE A 94 -5.606 3.029 -9.834 1.00 4.57 H new ATOM 1350 N PRO A 95 -6.102 0.105 -15.105 1.00 2.30 N ATOM 1351 CA PRO A 95 -6.553 -0.104 -16.482 1.00 2.82 C ATOM 1352 C PRO A 95 -8.092 -0.062 -16.563 1.00 2.62 C ATOM 1353 O PRO A 95 -8.751 -1.026 -16.938 1.00 3.12 O ATOM 1354 CB PRO A 95 -5.927 -1.436 -16.904 1.00 3.49 C ATOM 1355 CG PRO A 95 -5.916 -2.232 -15.601 1.00 3.23 C ATOM 1356 CD PRO A 95 -5.666 -1.164 -14.534 1.00 2.55 C ATOM 0 HA PRO A 95 -6.237 0.681 -17.169 1.00 2.82 H new ATOM 0 HB2 PRO A 95 -6.514 -1.932 -17.676 1.00 3.49 H new ATOM 0 HB3 PRO A 95 -4.922 -1.302 -17.305 1.00 3.49 H new ATOM 0 HG2 PRO A 95 -6.862 -2.749 -15.438 1.00 3.23 H new ATOM 0 HG3 PRO A 95 -5.134 -2.991 -15.601 1.00 3.23 H new ATOM 0 HD2 PRO A 95 -6.220 -1.390 -13.623 1.00 2.55 H new ATOM 0 HD3 PRO A 95 -4.611 -1.125 -14.264 1.00 2.55 H new ATOM 1364 N ALA A 96 -8.651 1.074 -16.136 1.00 2.45 N ATOM 1365 CA ALA A 96 -10.039 1.545 -16.268 1.00 2.50 C ATOM 1366 C ALA A 96 -11.203 0.674 -15.779 1.00 2.30 C ATOM 1367 O ALA A 96 -12.351 1.106 -15.794 1.00 2.91 O ATOM 1368 CB ALA A 96 -10.229 2.054 -17.706 1.00 2.90 C ATOM 0 H ALA A 96 -8.086 1.760 -15.637 1.00 2.45 H new ATOM 0 HA ALA A 96 -10.125 2.334 -15.521 1.00 2.50 H new ATOM 0 HB1 ALA A 96 -11.251 2.410 -17.834 1.00 2.90 H new ATOM 0 HB2 ALA A 96 -9.533 2.871 -17.898 1.00 2.90 H new ATOM 0 HB3 ALA A 96 -10.038 1.242 -18.408 1.00 2.90 H new ATOM 1374 N ARG A 97 -10.913 -0.525 -15.291 1.00 2.41 N ATOM 1375 CA ARG A 97 -11.878 -1.524 -14.823 1.00 2.22 C ATOM 1376 C ARG A 97 -11.218 -2.554 -13.888 1.00 1.98 C ATOM 1377 O ARG A 97 -11.899 -3.405 -13.325 1.00 2.17 O ATOM 1378 CB ARG A 97 -12.453 -2.169 -16.104 1.00 2.42 C ATOM 1379 CG ARG A 97 -13.554 -3.229 -15.942 1.00 2.40 C ATOM 1380 CD ARG A 97 -14.086 -3.618 -17.330 1.00 2.72 C ATOM 1381 NE ARG A 97 -15.110 -4.673 -17.244 1.00 3.00 N ATOM 1382 CZ ARG A 97 -15.971 -5.031 -18.190 1.00 3.62 C ATOM 1383 NH1 ARG A 97 -16.010 -4.457 -19.373 1.00 4.28 N ATOM 1384 NH2 ARG A 97 -16.832 -5.988 -17.928 1.00 4.24 N ATOM 0 H ARG A 97 -9.949 -0.848 -15.204 1.00 2.41 H new ATOM 0 HA ARG A 97 -12.670 -1.075 -14.223 1.00 2.22 H new ATOM 0 HB2 ARG A 97 -12.847 -1.371 -16.733 1.00 2.42 H new ATOM 0 HB3 ARG A 97 -11.627 -2.625 -16.649 1.00 2.42 H new ATOM 0 HG2 ARG A 97 -13.158 -4.107 -15.431 1.00 2.40 H new ATOM 0 HG3 ARG A 97 -14.363 -2.839 -15.325 1.00 2.40 H new ATOM 0 HD2 ARG A 97 -14.509 -2.739 -17.817 1.00 2.72 H new ATOM 0 HD3 ARG A 97 -13.260 -3.962 -17.953 1.00 2.72 H new ATOM 0 HE ARG A 97 -15.164 -5.184 -16.363 1.00 3.00 H new ATOM 0 HH11 ARG A 97 -15.361 -3.703 -19.595 1.00 4.28 H new ATOM 0 HH12 ARG A 97 -16.690 -4.766 -20.068 1.00 4.28 H new ATOM 0 HH21 ARG A 97 -16.830 -6.440 -17.013 1.00 4.24 H new ATOM 0 HH22 ARG A 97 -17.503 -6.279 -18.639 1.00 4.24 H new ATOM 1398 N GLY A 98 -9.880 -2.495 -13.759 1.00 1.94 N ATOM 1399 CA GLY A 98 -9.079 -3.641 -13.285 1.00 1.90 C ATOM 1400 C GLY A 98 -8.732 -3.589 -11.798 1.00 2.02 C ATOM 1401 O GLY A 98 -8.489 -4.639 -11.207 1.00 3.14 O ATOM 0 H GLY A 98 -9.329 -1.665 -13.977 1.00 1.94 H new ATOM 0 HA2 GLY A 98 -9.627 -4.561 -13.487 1.00 1.90 H new ATOM 0 HA3 GLY A 98 -8.155 -3.687 -13.861 1.00 1.90 H new ATOM 1405 N THR A 99 -8.711 -2.360 -11.262 1.00 1.97 N ATOM 1406 CA THR A 99 -8.739 -1.987 -9.839 1.00 2.05 C ATOM 1407 C THR A 99 -7.538 -2.508 -9.057 1.00 1.65 C ATOM 1408 O THR A 99 -7.263 -3.707 -8.974 1.00 1.68 O ATOM 1409 CB THR A 99 -10.083 -2.415 -9.236 1.00 2.50 C ATOM 1410 OG1 THR A 99 -11.106 -1.893 -10.057 1.00 3.44 O ATOM 1411 CG2 THR A 99 -10.307 -1.862 -7.832 1.00 3.21 C ATOM 0 H THR A 99 -8.671 -1.535 -11.860 1.00 1.97 H new ATOM 0 HA THR A 99 -8.653 -0.903 -9.763 1.00 2.05 H new ATOM 0 HB THR A 99 -10.088 -3.503 -9.178 1.00 2.50 H new ATOM 0 HG1 THR A 99 -10.969 -0.930 -10.178 1.00 3.44 H new ATOM 0 HG21 THR A 99 -11.274 -2.199 -7.458 1.00 3.21 H new ATOM 0 HG22 THR A 99 -9.518 -2.219 -7.170 1.00 3.21 H new ATOM 0 HG23 THR A 99 -10.289 -0.773 -7.863 1.00 3.21 H new ATOM 1419 N LEU A 100 -6.791 -1.591 -8.445 1.00 1.61 N ATOM 1420 CA LEU A 100 -5.693 -1.953 -7.563 1.00 1.48 C ATOM 1421 C LEU A 100 -6.191 -2.716 -6.320 1.00 1.18 C ATOM 1422 O LEU A 100 -6.947 -2.203 -5.494 1.00 1.25 O ATOM 1423 CB LEU A 100 -4.868 -0.701 -7.261 1.00 2.03 C ATOM 1424 CG LEU A 100 -3.622 -0.895 -6.382 1.00 3.19 C ATOM 1425 CD1 LEU A 100 -3.939 -0.924 -4.877 1.00 4.43 C ATOM 1426 CD2 LEU A 100 -2.746 -2.099 -6.763 1.00 4.43 C ATOM 0 H LEU A 100 -6.931 -0.586 -8.548 1.00 1.61 H new ATOM 0 HA LEU A 100 -5.026 -2.661 -8.055 1.00 1.48 H new ATOM 0 HB2 LEU A 100 -4.552 -0.264 -8.208 1.00 2.03 H new ATOM 0 HB3 LEU A 100 -5.518 0.027 -6.775 1.00 2.03 H new ATOM 0 HG LEU A 100 -3.032 -0.003 -6.591 1.00 3.19 H new ATOM 0 HD11 LEU A 100 -3.016 -1.064 -4.313 1.00 4.43 H new ATOM 0 HD12 LEU A 100 -4.404 0.018 -4.585 1.00 4.43 H new ATOM 0 HD13 LEU A 100 -4.622 -1.747 -4.665 1.00 4.43 H new ATOM 0 HD21 LEU A 100 -1.892 -2.155 -6.088 1.00 4.43 H new ATOM 0 HD22 LEU A 100 -3.332 -3.015 -6.684 1.00 4.43 H new ATOM 0 HD23 LEU A 100 -2.392 -1.982 -7.787 1.00 4.43 H new ATOM 1438 N THR A 101 -5.703 -3.952 -6.236 1.00 1.19 N ATOM 1439 CA THR A 101 -5.856 -4.946 -5.177 1.00 1.35 C ATOM 1440 C THR A 101 -4.476 -5.097 -4.563 1.00 1.18 C ATOM 1441 O THR A 101 -3.588 -5.588 -5.248 1.00 1.81 O ATOM 1442 CB THR A 101 -6.324 -6.236 -5.874 1.00 2.20 C ATOM 1443 OG1 THR A 101 -7.709 -6.092 -6.070 1.00 2.88 O ATOM 1444 CG2 THR A 101 -6.139 -7.567 -5.142 1.00 2.91 C ATOM 0 H THR A 101 -5.127 -4.321 -6.993 1.00 1.19 H new ATOM 0 HA THR A 101 -6.572 -4.687 -4.397 1.00 1.35 H new ATOM 0 HB THR A 101 -5.696 -6.315 -6.762 1.00 2.20 H new ATOM 0 HG1 THR A 101 -7.920 -6.214 -7.019 1.00 2.88 H new ATOM 0 HG21 THR A 101 -6.517 -8.379 -5.763 1.00 2.91 H new ATOM 0 HG22 THR A 101 -5.080 -7.727 -4.941 1.00 2.91 H new ATOM 0 HG23 THR A 101 -6.688 -7.544 -4.201 1.00 2.91 H new ATOM 1452 N LEU A 102 -4.270 -4.654 -3.320 1.00 0.99 N ATOM 1453 CA LEU A 102 -2.979 -4.667 -2.621 1.00 1.33 C ATOM 1454 C LEU A 102 -3.157 -5.322 -1.241 1.00 1.08 C ATOM 1455 O LEU A 102 -3.177 -4.670 -0.202 1.00 1.20 O ATOM 1456 CB LEU A 102 -2.424 -3.216 -2.649 1.00 2.04 C ATOM 1457 CG LEU A 102 -1.191 -2.865 -1.792 1.00 2.92 C ATOM 1458 CD1 LEU A 102 -0.044 -3.853 -1.969 1.00 4.06 C ATOM 1459 CD2 LEU A 102 -0.677 -1.463 -2.160 1.00 3.58 C ATOM 0 H LEU A 102 -5.022 -4.263 -2.752 1.00 0.99 H new ATOM 0 HA LEU A 102 -2.219 -5.283 -3.102 1.00 1.33 H new ATOM 0 HB2 LEU A 102 -2.182 -2.977 -3.685 1.00 2.04 H new ATOM 0 HB3 LEU A 102 -3.233 -2.550 -2.349 1.00 2.04 H new ATOM 0 HG LEU A 102 -1.518 -2.906 -0.753 1.00 2.92 H new ATOM 0 HD11 LEU A 102 0.795 -3.553 -1.341 1.00 4.06 H new ATOM 0 HD12 LEU A 102 -0.375 -4.851 -1.680 1.00 4.06 H new ATOM 0 HD13 LEU A 102 0.270 -3.863 -3.013 1.00 4.06 H new ATOM 0 HD21 LEU A 102 0.194 -1.223 -1.550 1.00 3.58 H new ATOM 0 HD22 LEU A 102 -0.399 -1.442 -3.214 1.00 3.58 H new ATOM 0 HD23 LEU A 102 -1.461 -0.728 -1.977 1.00 3.58 H new ATOM 1471 N GLN A 103 -3.319 -6.648 -1.230 1.00 0.97 N ATOM 1472 CA GLN A 103 -3.458 -7.477 -0.024 1.00 1.00 C ATOM 1473 C GLN A 103 -2.676 -8.780 -0.207 1.00 1.15 C ATOM 1474 O GLN A 103 -2.357 -9.149 -1.336 1.00 1.29 O ATOM 1475 CB GLN A 103 -4.929 -7.857 0.267 1.00 1.22 C ATOM 1476 CG GLN A 103 -5.900 -6.674 0.470 1.00 1.71 C ATOM 1477 CD GLN A 103 -6.840 -6.386 -0.703 1.00 1.84 C ATOM 1478 OE1 GLN A 103 -7.986 -6.021 -0.516 1.00 2.34 O ATOM 1479 NE2 GLN A 103 -6.425 -6.548 -1.936 1.00 2.86 N ATOM 0 H GLN A 103 -3.359 -7.195 -2.090 1.00 0.97 H new ATOM 0 HA GLN A 103 -3.075 -6.887 0.809 1.00 1.00 H new ATOM 0 HB2 GLN A 103 -5.297 -8.467 -0.558 1.00 1.22 H new ATOM 0 HB3 GLN A 103 -4.954 -8.480 1.161 1.00 1.22 H new ATOM 0 HG2 GLN A 103 -6.503 -6.869 1.357 1.00 1.71 H new ATOM 0 HG3 GLN A 103 -5.315 -5.777 0.673 1.00 1.71 H new ATOM 0 HE21 GLN A 103 -5.469 -6.853 -2.116 1.00 2.86 H new ATOM 0 HE22 GLN A 103 -7.059 -6.369 -2.715 1.00 2.86 H new ATOM 1488 N ARG A 104 -2.497 -9.532 0.888 1.00 1.35 N ATOM 1489 CA ARG A 104 -1.852 -10.855 0.960 1.00 1.67 C ATOM 1490 C ARG A 104 -2.429 -11.958 0.049 1.00 1.88 C ATOM 1491 O ARG A 104 -2.013 -13.108 0.150 1.00 2.23 O ATOM 1492 CB ARG A 104 -1.795 -11.311 2.436 1.00 1.83 C ATOM 1493 CG ARG A 104 -3.137 -11.436 3.190 1.00 2.74 C ATOM 1494 CD ARG A 104 -4.059 -12.589 2.747 1.00 3.96 C ATOM 1495 NE ARG A 104 -5.277 -12.118 2.049 1.00 5.48 N ATOM 1496 CZ ARG A 104 -6.435 -11.784 2.611 1.00 6.77 C ATOM 1497 NH1 ARG A 104 -6.602 -11.694 3.913 1.00 6.79 N ATOM 1498 NH2 ARG A 104 -7.464 -11.522 1.844 1.00 8.51 N ATOM 0 H ARG A 104 -2.817 -9.216 1.803 1.00 1.35 H new ATOM 0 HA ARG A 104 -0.851 -10.710 0.553 1.00 1.67 H new ATOM 0 HB2 ARG A 104 -1.297 -12.280 2.471 1.00 1.83 H new ATOM 0 HB3 ARG A 104 -1.165 -10.609 2.982 1.00 1.83 H new ATOM 0 HG2 ARG A 104 -2.924 -11.556 4.252 1.00 2.74 H new ATOM 0 HG3 ARG A 104 -3.682 -10.499 3.078 1.00 2.74 H new ATOM 0 HD2 ARG A 104 -3.505 -13.258 2.088 1.00 3.96 H new ATOM 0 HD3 ARG A 104 -4.350 -13.171 3.621 1.00 3.96 H new ATOM 0 HE ARG A 104 -5.222 -12.042 1.033 1.00 5.48 H new ATOM 0 HH11 ARG A 104 -5.822 -11.885 4.542 1.00 6.79 H new ATOM 0 HH12 ARG A 104 -7.512 -11.434 4.294 1.00 6.79 H new ATOM 0 HH21 ARG A 104 -7.371 -11.576 0.830 1.00 8.51 H new ATOM 0 HH22 ARG A 104 -8.359 -11.264 2.261 1.00 8.51 H new ATOM 1512 N ASP A 105 -3.369 -11.644 -0.848 1.00 1.93 N ATOM 1513 CA ASP A 105 -3.893 -12.539 -1.887 1.00 2.19 C ATOM 1514 C ASP A 105 -2.818 -12.957 -2.905 1.00 2.00 C ATOM 1515 O ASP A 105 -2.984 -13.954 -3.607 1.00 2.21 O ATOM 1516 CB ASP A 105 -5.079 -11.876 -2.600 1.00 2.70 C ATOM 1517 CG ASP A 105 -6.384 -12.108 -1.844 1.00 2.98 C ATOM 1518 OD1 ASP A 105 -6.444 -11.757 -0.646 1.00 3.22 O ATOM 1519 OD2 ASP A 105 -7.344 -12.639 -2.447 1.00 3.77 O ATOM 0 H ASP A 105 -3.804 -10.722 -0.872 1.00 1.93 H new ATOM 0 HA ASP A 105 -4.228 -13.450 -1.392 1.00 2.19 H new ATOM 0 HB2 ASP A 105 -4.897 -10.805 -2.694 1.00 2.70 H new ATOM 0 HB3 ASP A 105 -5.167 -12.274 -3.611 1.00 2.70 H new ATOM 1524 N GLY A 106 -1.706 -12.218 -2.951 1.00 1.96 N ATOM 1525 CA GLY A 106 -0.424 -12.708 -3.460 1.00 2.48 C ATOM 1526 C GLY A 106 0.734 -12.256 -2.578 1.00 3.08 C ATOM 1527 O GLY A 106 1.551 -13.070 -2.149 1.00 4.18 O ATOM 0 H GLY A 106 -1.671 -11.250 -2.631 1.00 1.96 H new ATOM 0 HA2 GLY A 106 -0.442 -13.797 -3.509 1.00 2.48 H new ATOM 0 HA3 GLY A 106 -0.272 -12.346 -4.477 1.00 2.48 H new ATOM 1531 N ASP A 107 0.760 -10.955 -2.280 1.00 2.74 N ATOM 1532 CA ASP A 107 1.842 -10.198 -1.633 1.00 3.44 C ATOM 1533 C ASP A 107 1.381 -8.738 -1.411 1.00 2.44 C ATOM 1534 O ASP A 107 0.336 -8.349 -1.928 1.00 2.32 O ATOM 1535 CB ASP A 107 3.116 -10.262 -2.502 1.00 4.90 C ATOM 1536 CG ASP A 107 4.395 -9.884 -1.748 1.00 6.34 C ATOM 1537 OD1 ASP A 107 4.312 -9.524 -0.545 1.00 6.93 O ATOM 1538 OD2 ASP A 107 5.458 -9.974 -2.389 1.00 7.29 O ATOM 0 H ASP A 107 -0.034 -10.354 -2.500 1.00 2.74 H new ATOM 0 HA ASP A 107 2.077 -10.635 -0.663 1.00 3.44 H new ATOM 0 HB2 ASP A 107 3.224 -11.271 -2.899 1.00 4.90 H new ATOM 0 HB3 ASP A 107 2.997 -9.594 -3.355 1.00 4.90 H new ATOM 1543 N HIS A 108 2.137 -7.905 -0.693 1.00 2.03 N ATOM 1544 CA HIS A 108 1.774 -6.516 -0.377 1.00 1.23 C ATOM 1545 C HIS A 108 2.992 -5.628 -0.008 1.00 1.11 C ATOM 1546 O HIS A 108 4.051 -5.751 -0.629 1.00 1.15 O ATOM 1547 CB HIS A 108 0.558 -6.489 0.586 1.00 1.11 C ATOM 1548 CG HIS A 108 0.722 -7.170 1.926 1.00 1.84 C ATOM 1549 ND1 HIS A 108 0.523 -6.599 3.165 1.00 3.46 N ATOM 1550 CD2 HIS A 108 0.899 -8.512 2.136 1.00 2.27 C ATOM 1551 CE1 HIS A 108 0.586 -7.569 4.089 1.00 4.02 C ATOM 1552 NE2 HIS A 108 0.804 -8.755 3.503 1.00 3.16 N ATOM 0 H HIS A 108 3.039 -8.180 -0.305 1.00 2.03 H new ATOM 0 HA HIS A 108 1.426 -6.017 -1.281 1.00 1.23 H new ATOM 0 HB2 HIS A 108 0.293 -5.447 0.767 1.00 1.11 H new ATOM 0 HB3 HIS A 108 -0.288 -6.949 0.075 1.00 1.11 H new ATOM 0 HD1 HIS A 108 0.357 -5.609 3.347 1.00 3.46 H new ATOM 0 HD2 HIS A 108 1.081 -9.254 1.372 1.00 2.27 H new ATOM 0 HE1 HIS A 108 0.477 -7.417 5.153 1.00 4.02 H new ATOM 1560 N VAL A 109 2.854 -4.685 0.934 1.00 1.14 N ATOM 1561 CA VAL A 109 3.909 -3.713 1.273 1.00 0.93 C ATOM 1562 C VAL A 109 4.332 -3.856 2.742 1.00 0.89 C ATOM 1563 O VAL A 109 3.492 -3.808 3.640 1.00 1.00 O ATOM 1564 CB VAL A 109 3.517 -2.267 0.867 1.00 0.97 C ATOM 1565 CG1 VAL A 109 2.084 -1.882 1.271 1.00 2.08 C ATOM 1566 CG2 VAL A 109 4.482 -1.212 1.443 1.00 1.50 C ATOM 0 H VAL A 109 2.004 -4.572 1.487 1.00 1.14 H new ATOM 0 HA VAL A 109 4.794 -3.942 0.679 1.00 0.93 H new ATOM 0 HB VAL A 109 3.582 -2.271 -0.221 1.00 0.97 H new ATOM 0 HG11 VAL A 109 1.880 -0.859 0.956 1.00 2.08 H new ATOM 0 HG12 VAL A 109 1.377 -2.558 0.791 1.00 2.08 H new ATOM 0 HG13 VAL A 109 1.979 -1.956 2.353 1.00 2.08 H new ATOM 0 HG21 VAL A 109 4.163 -0.218 1.130 1.00 1.50 H new ATOM 0 HG22 VAL A 109 4.476 -1.269 2.532 1.00 1.50 H new ATOM 0 HG23 VAL A 109 5.490 -1.402 1.076 1.00 1.50 H new ATOM 1576 N MET A 110 5.634 -4.056 2.964 1.00 0.87 N ATOM 1577 CA MET A 110 6.315 -4.166 4.260 1.00 0.94 C ATOM 1578 C MET A 110 7.149 -2.919 4.560 1.00 0.86 C ATOM 1579 O MET A 110 7.836 -2.364 3.702 1.00 0.91 O ATOM 1580 CB MET A 110 7.253 -5.382 4.281 1.00 1.23 C ATOM 1581 CG MET A 110 6.515 -6.723 4.300 1.00 1.30 C ATOM 1582 SD MET A 110 7.607 -8.172 4.373 1.00 1.75 S ATOM 1583 CE MET A 110 8.341 -7.944 6.018 1.00 2.42 C ATOM 0 H MET A 110 6.288 -4.152 2.187 1.00 0.87 H new ATOM 0 HA MET A 110 5.538 -4.276 5.016 1.00 0.94 H new ATOM 0 HB2 MET A 110 7.901 -5.346 3.406 1.00 1.23 H new ATOM 0 HB3 MET A 110 7.897 -5.319 5.158 1.00 1.23 H new ATOM 0 HG2 MET A 110 5.844 -6.744 5.159 1.00 1.30 H new ATOM 0 HG3 MET A 110 5.893 -6.795 3.408 1.00 1.30 H new ATOM 0 HE1 MET A 110 8.809 -8.874 6.339 1.00 2.42 H new ATOM 0 HE2 MET A 110 9.092 -7.155 5.975 1.00 2.42 H new ATOM 0 HE3 MET A 110 7.563 -7.665 6.728 1.00 2.42 H new ATOM 1593 N LEU A 111 7.112 -2.494 5.815 1.00 0.89 N ATOM 1594 CA LEU A 111 7.846 -1.358 6.342 1.00 0.90 C ATOM 1595 C LEU A 111 9.041 -1.906 7.127 1.00 0.97 C ATOM 1596 O LEU A 111 9.063 -1.900 8.355 1.00 1.25 O ATOM 1597 CB LEU A 111 6.857 -0.499 7.154 1.00 0.96 C ATOM 1598 CG LEU A 111 5.604 -0.024 6.383 1.00 0.97 C ATOM 1599 CD1 LEU A 111 4.823 0.978 7.247 1.00 2.35 C ATOM 1600 CD2 LEU A 111 5.963 0.619 5.033 1.00 2.11 C ATOM 0 H LEU A 111 6.542 -2.955 6.524 1.00 0.89 H new ATOM 0 HA LEU A 111 8.260 -0.700 5.578 1.00 0.90 H new ATOM 0 HB2 LEU A 111 6.533 -1.072 8.023 1.00 0.96 H new ATOM 0 HB3 LEU A 111 7.386 0.377 7.529 1.00 0.96 H new ATOM 0 HG LEU A 111 4.990 -0.899 6.173 1.00 0.97 H new ATOM 0 HD11 LEU A 111 3.939 1.314 6.705 1.00 2.35 H new ATOM 0 HD12 LEU A 111 4.518 0.497 8.176 1.00 2.35 H new ATOM 0 HD13 LEU A 111 5.457 1.835 7.474 1.00 2.35 H new ATOM 0 HD21 LEU A 111 5.051 0.937 4.528 1.00 2.11 H new ATOM 0 HD22 LEU A 111 6.605 1.484 5.201 1.00 2.11 H new ATOM 0 HD23 LEU A 111 6.488 -0.107 4.412 1.00 2.11 H new ATOM 1612 N MET A 112 9.989 -2.489 6.382 1.00 0.77 N ATOM 1613 CA MET A 112 11.061 -3.329 6.916 1.00 0.78 C ATOM 1614 C MET A 112 12.227 -2.476 7.424 1.00 0.92 C ATOM 1615 O MET A 112 12.578 -1.434 6.857 1.00 0.94 O ATOM 1616 CB MET A 112 11.503 -4.345 5.844 1.00 0.82 C ATOM 1617 CG MET A 112 12.339 -5.489 6.433 1.00 1.07 C ATOM 1618 SD MET A 112 12.828 -6.771 5.246 1.00 1.91 S ATOM 1619 CE MET A 112 13.628 -7.902 6.412 1.00 2.21 C ATOM 0 H MET A 112 10.030 -2.385 5.368 1.00 0.77 H new ATOM 0 HA MET A 112 10.689 -3.886 7.776 1.00 0.78 H new ATOM 0 HB2 MET A 112 10.622 -4.758 5.353 1.00 0.82 H new ATOM 0 HB3 MET A 112 12.084 -3.831 5.078 1.00 0.82 H new ATOM 0 HG2 MET A 112 13.239 -5.068 6.881 1.00 1.07 H new ATOM 0 HG3 MET A 112 11.771 -5.957 7.237 1.00 1.07 H new ATOM 0 HE1 MET A 112 14.005 -8.772 5.874 1.00 2.21 H new ATOM 0 HE2 MET A 112 14.457 -7.392 6.903 1.00 2.21 H new ATOM 0 HE3 MET A 112 12.905 -8.223 7.161 1.00 2.21 H new ATOM 1629 N GLY A 113 12.824 -2.887 8.542 1.00 1.14 N ATOM 1630 CA GLY A 113 13.861 -2.094 9.213 1.00 1.41 C ATOM 1631 C GLY A 113 13.275 -0.811 9.806 1.00 1.51 C ATOM 1632 O GLY A 113 13.865 0.262 9.665 1.00 1.84 O ATOM 0 H GLY A 113 12.608 -3.769 9.007 1.00 1.14 H new ATOM 0 HA2 GLY A 113 14.322 -2.686 10.003 1.00 1.41 H new ATOM 0 HA3 GLY A 113 14.648 -1.843 8.502 1.00 1.41 H new ATOM 1636 N LEU A 114 12.093 -0.889 10.419 1.00 1.41 N ATOM 1637 CA LEU A 114 11.485 0.203 11.172 1.00 1.58 C ATOM 1638 C LEU A 114 12.278 0.497 12.461 1.00 1.83 C ATOM 1639 O LEU A 114 13.212 -0.207 12.843 1.00 2.69 O ATOM 1640 CB LEU A 114 10.014 -0.161 11.467 1.00 1.69 C ATOM 1641 CG LEU A 114 9.066 1.053 11.463 1.00 2.06 C ATOM 1642 CD1 LEU A 114 8.503 1.326 10.065 1.00 2.81 C ATOM 1643 CD2 LEU A 114 7.907 0.806 12.431 1.00 2.65 C ATOM 0 H LEU A 114 11.521 -1.733 10.404 1.00 1.41 H new ATOM 0 HA LEU A 114 11.510 1.119 10.582 1.00 1.58 H new ATOM 0 HB2 LEU A 114 9.671 -0.882 10.725 1.00 1.69 H new ATOM 0 HB3 LEU A 114 9.958 -0.652 12.438 1.00 1.69 H new ATOM 0 HG LEU A 114 9.641 1.924 11.776 1.00 2.06 H new ATOM 0 HD11 LEU A 114 7.839 2.189 10.102 1.00 2.81 H new ATOM 0 HD12 LEU A 114 9.323 1.528 9.376 1.00 2.81 H new ATOM 0 HD13 LEU A 114 7.946 0.455 9.720 1.00 2.81 H new ATOM 0 HD21 LEU A 114 7.239 1.667 12.425 1.00 2.65 H new ATOM 0 HD22 LEU A 114 7.357 -0.082 12.121 1.00 2.65 H new ATOM 0 HD23 LEU A 114 8.299 0.657 13.437 1.00 2.65 H new ATOM 1655 N LYS A 115 11.898 1.577 13.143 1.00 1.57 N ATOM 1656 CA LYS A 115 12.644 2.143 14.274 1.00 2.04 C ATOM 1657 C LYS A 115 11.829 2.215 15.583 1.00 2.29 C ATOM 1658 O LYS A 115 12.417 2.230 16.661 1.00 2.93 O ATOM 1659 CB LYS A 115 13.175 3.520 13.827 1.00 2.18 C ATOM 1660 CG LYS A 115 14.049 3.368 12.565 1.00 3.15 C ATOM 1661 CD LYS A 115 14.864 4.616 12.213 1.00 3.38 C ATOM 1662 CE LYS A 115 14.003 5.637 11.465 1.00 3.24 C ATOM 1663 NZ LYS A 115 14.775 6.863 11.164 1.00 4.09 N ATOM 0 H LYS A 115 11.047 2.095 12.923 1.00 1.57 H new ATOM 0 HA LYS A 115 13.471 1.480 14.528 1.00 2.04 H new ATOM 0 HB2 LYS A 115 12.341 4.191 13.622 1.00 2.18 H new ATOM 0 HB3 LYS A 115 13.758 3.972 14.630 1.00 2.18 H new ATOM 0 HG2 LYS A 115 14.731 2.530 12.708 1.00 3.15 H new ATOM 0 HG3 LYS A 115 13.408 3.116 11.720 1.00 3.15 H new ATOM 0 HD2 LYS A 115 15.260 5.066 13.124 1.00 3.38 H new ATOM 0 HD3 LYS A 115 15.719 4.335 11.598 1.00 3.38 H new ATOM 0 HE2 LYS A 115 13.635 5.198 10.538 1.00 3.24 H new ATOM 0 HE3 LYS A 115 13.130 5.891 12.066 1.00 3.24 H new ATOM 0 HZ1 LYS A 115 14.169 7.539 10.657 1.00 4.09 H new ATOM 0 HZ2 LYS A 115 15.105 7.292 12.052 1.00 4.09 H new ATOM 0 HZ3 LYS A 115 15.594 6.620 10.571 1.00 4.09 H new ATOM 1677 N ARG A 116 10.489 2.219 15.487 1.00 2.08 N ATOM 1678 CA ARG A 116 9.516 2.142 16.590 1.00 2.46 C ATOM 1679 C ARG A 116 8.109 1.973 15.974 1.00 1.67 C ATOM 1680 O ARG A 116 7.752 2.818 15.150 1.00 1.62 O ATOM 1681 CB ARG A 116 9.607 3.392 17.502 1.00 3.43 C ATOM 1682 CG ARG A 116 9.438 3.050 18.993 1.00 4.84 C ATOM 1683 CD ARG A 116 9.635 4.303 19.861 1.00 5.44 C ATOM 1684 NE ARG A 116 9.588 3.987 21.307 1.00 6.47 N ATOM 1685 CZ ARG A 116 9.239 4.820 22.285 1.00 6.94 C ATOM 1686 NH1 ARG A 116 8.909 6.073 22.045 1.00 6.63 N ATOM 1687 NH2 ARG A 116 9.172 4.394 23.530 1.00 8.12 N ATOM 0 H ARG A 116 10.027 2.280 14.580 1.00 2.08 H new ATOM 0 HA ARG A 116 9.734 1.286 17.229 1.00 2.46 H new ATOM 0 HB2 ARG A 116 10.571 3.878 17.351 1.00 3.43 H new ATOM 0 HB3 ARG A 116 8.840 4.108 17.208 1.00 3.43 H new ATOM 0 HG2 ARG A 116 8.446 2.634 19.166 1.00 4.84 H new ATOM 0 HG3 ARG A 116 10.159 2.285 19.280 1.00 4.84 H new ATOM 0 HD2 ARG A 116 10.593 4.764 19.621 1.00 5.44 H new ATOM 0 HD3 ARG A 116 8.862 5.034 19.624 1.00 5.44 H new ATOM 0 HE ARG A 116 9.848 3.039 21.580 1.00 6.47 H new ATOM 0 HH11 ARG A 116 8.917 6.428 21.089 1.00 6.63 H new ATOM 0 HH12 ARG A 116 8.646 6.688 22.815 1.00 6.63 H new ATOM 0 HH21 ARG A 116 9.388 3.421 23.749 1.00 8.12 H new ATOM 0 HH22 ARG A 116 8.904 5.037 24.275 1.00 8.12 H new ATOM 1701 N PRO A 117 7.370 0.883 16.267 1.00 2.02 N ATOM 1702 CA PRO A 117 6.119 0.556 15.581 1.00 2.12 C ATOM 1703 C PRO A 117 4.907 1.260 16.199 1.00 1.66 C ATOM 1704 O PRO A 117 5.007 1.864 17.269 1.00 1.98 O ATOM 1705 CB PRO A 117 5.992 -0.964 15.676 1.00 3.47 C ATOM 1706 CG PRO A 117 6.619 -1.253 17.034 1.00 3.96 C ATOM 1707 CD PRO A 117 7.772 -0.249 17.092 1.00 3.22 C ATOM 0 HA PRO A 117 6.141 0.901 14.547 1.00 2.12 H new ATOM 0 HB2 PRO A 117 4.953 -1.290 15.629 1.00 3.47 H new ATOM 0 HB3 PRO A 117 6.521 -1.468 14.867 1.00 3.47 H new ATOM 0 HG2 PRO A 117 5.910 -1.103 17.848 1.00 3.96 H new ATOM 0 HG3 PRO A 117 6.973 -2.281 17.106 1.00 3.96 H new ATOM 0 HD2 PRO A 117 7.962 0.066 18.118 1.00 3.22 H new ATOM 0 HD3 PRO A 117 8.694 -0.694 16.719 1.00 3.22 H new ATOM 1715 N LEU A 118 3.773 1.173 15.490 1.00 1.51 N ATOM 1716 CA LEU A 118 2.500 1.808 15.817 1.00 1.19 C ATOM 1717 C LEU A 118 1.351 0.782 15.910 1.00 1.45 C ATOM 1718 O LEU A 118 1.408 -0.321 15.356 1.00 1.94 O ATOM 1719 CB LEU A 118 2.196 2.917 14.784 1.00 1.36 C ATOM 1720 CG LEU A 118 3.368 3.910 14.560 1.00 1.94 C ATOM 1721 CD1 LEU A 118 4.225 3.524 13.338 1.00 2.79 C ATOM 1722 CD2 LEU A 118 2.858 5.345 14.376 1.00 2.41 C ATOM 0 H LEU A 118 3.722 0.628 14.629 1.00 1.51 H new ATOM 0 HA LEU A 118 2.582 2.262 16.805 1.00 1.19 H new ATOM 0 HB2 LEU A 118 1.940 2.452 13.832 1.00 1.36 H new ATOM 0 HB3 LEU A 118 1.319 3.474 15.112 1.00 1.36 H new ATOM 0 HG LEU A 118 3.987 3.857 15.455 1.00 1.94 H new ATOM 0 HD11 LEU A 118 5.033 4.245 13.218 1.00 2.79 H new ATOM 0 HD12 LEU A 118 4.645 2.530 13.488 1.00 2.79 H new ATOM 0 HD13 LEU A 118 3.603 3.524 12.443 1.00 2.79 H new ATOM 0 HD21 LEU A 118 3.704 6.015 14.221 1.00 2.41 H new ATOM 0 HD22 LEU A 118 2.198 5.388 13.510 1.00 2.41 H new ATOM 0 HD23 LEU A 118 2.309 5.653 15.266 1.00 2.41 H new ATOM 1734 N LYS A 119 0.304 1.161 16.643 1.00 1.37 N ATOM 1735 CA LYS A 119 -0.852 0.326 17.012 1.00 1.57 C ATOM 1736 C LYS A 119 -2.162 0.878 16.416 1.00 1.07 C ATOM 1737 O LYS A 119 -2.231 2.050 16.057 1.00 1.05 O ATOM 1738 CB LYS A 119 -0.896 0.276 18.552 1.00 2.18 C ATOM 1739 CG LYS A 119 -1.037 1.670 19.191 1.00 2.26 C ATOM 1740 CD LYS A 119 -1.096 1.578 20.714 1.00 2.51 C ATOM 1741 CE LYS A 119 -1.286 2.984 21.295 1.00 3.55 C ATOM 1742 NZ LYS A 119 -1.691 2.919 22.715 1.00 3.97 N ATOM 0 H LYS A 119 0.230 2.107 17.018 1.00 1.37 H new ATOM 0 HA LYS A 119 -0.747 -0.679 16.604 1.00 1.57 H new ATOM 0 HB2 LYS A 119 -1.732 -0.349 18.867 1.00 2.18 H new ATOM 0 HB3 LYS A 119 0.013 -0.198 18.922 1.00 2.18 H new ATOM 0 HG2 LYS A 119 -0.195 2.295 18.895 1.00 2.26 H new ATOM 0 HG3 LYS A 119 -1.940 2.154 18.818 1.00 2.26 H new ATOM 0 HD2 LYS A 119 -1.918 0.931 21.020 1.00 2.51 H new ATOM 0 HD3 LYS A 119 -0.179 1.133 21.100 1.00 2.51 H new ATOM 0 HE2 LYS A 119 -0.358 3.548 21.203 1.00 3.55 H new ATOM 0 HE3 LYS A 119 -2.042 3.519 20.721 1.00 3.55 H new ATOM 0 HZ1 LYS A 119 -1.813 3.883 23.086 1.00 3.97 H new ATOM 0 HZ2 LYS A 119 -2.589 2.400 22.797 1.00 3.97 H new ATOM 0 HZ3 LYS A 119 -0.956 2.428 23.263 1.00 3.97 H new ATOM 1756 N VAL A 120 -3.220 0.064 16.344 1.00 1.24 N ATOM 1757 CA VAL A 120 -4.483 0.334 15.583 1.00 1.27 C ATOM 1758 C VAL A 120 -4.916 1.822 15.565 1.00 1.54 C ATOM 1759 O VAL A 120 -4.827 2.546 14.570 1.00 2.73 O ATOM 1760 CB VAL A 120 -5.621 -0.624 16.030 1.00 1.48 C ATOM 1761 CG1 VAL A 120 -5.659 -0.934 17.537 1.00 1.64 C ATOM 1762 CG2 VAL A 120 -7.034 -0.189 15.589 1.00 2.57 C ATOM 0 H VAL A 120 -3.240 -0.836 16.824 1.00 1.24 H new ATOM 0 HA VAL A 120 -4.257 0.117 14.539 1.00 1.27 H new ATOM 0 HB VAL A 120 -5.349 -1.536 15.499 1.00 1.48 H new ATOM 0 HG11 VAL A 120 -6.487 -1.610 17.749 1.00 1.64 H new ATOM 0 HG12 VAL A 120 -4.722 -1.404 17.836 1.00 1.64 H new ATOM 0 HG13 VAL A 120 -5.795 -0.008 18.096 1.00 1.64 H new ATOM 0 HG21 VAL A 120 -7.766 -0.915 15.944 1.00 2.57 H new ATOM 0 HG22 VAL A 120 -7.261 0.790 16.010 1.00 2.57 H new ATOM 0 HG23 VAL A 120 -7.075 -0.135 14.501 1.00 2.57 H new ATOM 1772 N GLY A 121 -5.338 2.297 16.727 1.00 1.26 N ATOM 1773 CA GLY A 121 -5.894 3.634 16.991 1.00 1.83 C ATOM 1774 C GLY A 121 -4.894 4.764 16.907 1.00 1.98 C ATOM 1775 O GLY A 121 -5.234 5.879 17.287 1.00 2.37 O ATOM 0 H GLY A 121 -5.303 1.728 17.573 1.00 1.26 H new ATOM 0 HA2 GLY A 121 -6.697 3.825 16.280 1.00 1.83 H new ATOM 0 HA3 GLY A 121 -6.341 3.636 17.985 1.00 1.83 H new ATOM 1779 N GLU A 122 -3.707 4.531 16.393 1.00 1.70 N ATOM 1780 CA GLU A 122 -2.691 5.564 16.096 1.00 1.62 C ATOM 1781 C GLU A 122 -2.603 5.806 14.566 1.00 1.53 C ATOM 1782 O GLU A 122 -2.938 4.957 13.725 1.00 1.54 O ATOM 1783 CB GLU A 122 -1.343 5.046 16.654 1.00 1.61 C ATOM 1784 CG GLU A 122 -0.267 6.113 16.721 1.00 1.59 C ATOM 1785 CD GLU A 122 0.906 5.776 17.632 1.00 1.78 C ATOM 1786 OE1 GLU A 122 1.204 4.594 17.972 1.00 2.60 O ATOM 1787 OE2 GLU A 122 1.568 6.748 17.999 1.00 2.16 O ATOM 0 H GLU A 122 -3.394 3.590 16.155 1.00 1.70 H new ATOM 0 HA GLU A 122 -2.952 6.516 16.557 1.00 1.62 H new ATOM 0 HB2 GLU A 122 -1.504 4.640 17.653 1.00 1.61 H new ATOM 0 HB3 GLU A 122 -0.991 4.225 16.029 1.00 1.61 H new ATOM 0 HG2 GLU A 122 0.112 6.292 15.715 1.00 1.59 H new ATOM 0 HG3 GLU A 122 -0.719 7.045 17.062 1.00 1.59 H new ATOM 1794 N THR A 123 -2.152 7.000 14.184 1.00 1.57 N ATOM 1795 CA THR A 123 -2.044 7.493 12.792 1.00 1.60 C ATOM 1796 C THR A 123 -0.622 7.338 12.258 1.00 1.33 C ATOM 1797 O THR A 123 0.329 7.421 13.035 1.00 1.44 O ATOM 1798 CB THR A 123 -2.439 8.968 12.701 1.00 2.05 C ATOM 1799 OG1 THR A 123 -1.634 9.708 13.587 1.00 3.37 O ATOM 1800 CG2 THR A 123 -3.913 9.218 13.032 1.00 2.98 C ATOM 0 H THR A 123 -1.834 7.692 14.863 1.00 1.57 H new ATOM 0 HA THR A 123 -2.725 6.892 12.190 1.00 1.60 H new ATOM 0 HB THR A 123 -2.288 9.282 11.668 1.00 2.05 H new ATOM 0 HG1 THR A 123 -1.877 10.656 13.536 1.00 3.37 H new ATOM 0 HG21 THR A 123 -4.129 10.283 12.949 1.00 2.98 H new ATOM 0 HG22 THR A 123 -4.542 8.665 12.334 1.00 2.98 H new ATOM 0 HG23 THR A 123 -4.119 8.884 14.049 1.00 2.98 H new ATOM 1808 N VAL A 124 -0.495 7.218 10.935 1.00 1.07 N ATOM 1809 CA VAL A 124 0.743 6.950 10.198 1.00 0.95 C ATOM 1810 C VAL A 124 0.884 7.859 8.977 1.00 0.79 C ATOM 1811 O VAL A 124 -0.112 8.177 8.323 1.00 0.81 O ATOM 1812 CB VAL A 124 0.842 5.477 9.747 1.00 1.14 C ATOM 1813 CG1 VAL A 124 1.290 4.580 10.905 1.00 2.38 C ATOM 1814 CG2 VAL A 124 -0.455 4.926 9.133 1.00 2.71 C ATOM 0 H VAL A 124 -1.298 7.310 10.313 1.00 1.07 H new ATOM 0 HA VAL A 124 1.556 7.159 10.893 1.00 0.95 H new ATOM 0 HB VAL A 124 1.592 5.465 8.956 1.00 1.14 H new ATOM 0 HG11 VAL A 124 1.352 3.547 10.562 1.00 2.38 H new ATOM 0 HG12 VAL A 124 2.269 4.904 11.259 1.00 2.38 H new ATOM 0 HG13 VAL A 124 0.568 4.649 11.719 1.00 2.38 H new ATOM 0 HG21 VAL A 124 -0.306 3.886 8.841 1.00 2.71 H new ATOM 0 HG22 VAL A 124 -1.259 4.985 9.867 1.00 2.71 H new ATOM 0 HG23 VAL A 124 -0.721 5.515 8.255 1.00 2.71 H new ATOM 1824 N ASN A 125 2.123 8.267 8.674 1.00 0.82 N ATOM 1825 CA ASN A 125 2.428 9.137 7.531 1.00 0.80 C ATOM 1826 C ASN A 125 2.560 8.312 6.233 1.00 0.75 C ATOM 1827 O ASN A 125 3.376 7.385 6.150 1.00 0.92 O ATOM 1828 CB ASN A 125 3.711 9.944 7.803 1.00 1.05 C ATOM 1829 CG ASN A 125 3.806 10.472 9.229 1.00 1.65 C ATOM 1830 OD1 ASN A 125 4.345 9.812 10.107 1.00 3.07 O ATOM 1831 ND2 ASN A 125 3.289 11.649 9.525 1.00 1.54 N ATOM 0 H ASN A 125 2.945 8.002 9.217 1.00 0.82 H new ATOM 0 HA ASN A 125 1.603 9.837 7.399 1.00 0.80 H new ATOM 0 HB2 ASN A 125 4.577 9.314 7.599 1.00 1.05 H new ATOM 0 HB3 ASN A 125 3.757 10.784 7.109 1.00 1.05 H new ATOM 0 HD21 ASN A 125 3.340 12.003 10.480 1.00 1.54 H new ATOM 0 HD22 ASN A 125 2.838 12.205 8.799 1.00 1.54 H new ATOM 1838 N ILE A 126 1.794 8.646 5.189 1.00 0.81 N ATOM 1839 CA ILE A 126 1.755 7.917 3.906 1.00 0.93 C ATOM 1840 C ILE A 126 1.897 8.888 2.724 1.00 1.03 C ATOM 1841 O ILE A 126 1.750 10.104 2.864 1.00 0.93 O ATOM 1842 CB ILE A 126 0.489 7.014 3.848 1.00 1.00 C ATOM 1843 CG1 ILE A 126 0.501 5.973 2.696 1.00 1.80 C ATOM 1844 CG2 ILE A 126 -0.817 7.824 3.895 1.00 2.14 C ATOM 1845 CD1 ILE A 126 -0.279 6.328 1.417 1.00 3.37 C ATOM 0 H ILE A 126 1.167 9.450 5.208 1.00 0.81 H new ATOM 0 HA ILE A 126 2.610 7.245 3.829 1.00 0.93 H new ATOM 0 HB ILE A 126 0.527 6.422 4.762 1.00 1.00 H new ATOM 0 HG12 ILE A 126 1.539 5.789 2.418 1.00 1.80 H new ATOM 0 HG13 ILE A 126 0.104 5.035 3.084 1.00 1.80 H new ATOM 0 HG21 ILE A 126 -1.668 7.145 3.852 1.00 2.14 H new ATOM 0 HG22 ILE A 126 -0.857 8.397 4.822 1.00 2.14 H new ATOM 0 HG23 ILE A 126 -0.853 8.506 3.045 1.00 2.14 H new ATOM 0 HD11 ILE A 126 -0.186 5.515 0.697 1.00 3.37 H new ATOM 0 HD12 ILE A 126 -1.331 6.478 1.662 1.00 3.37 H new ATOM 0 HD13 ILE A 126 0.127 7.243 0.985 1.00 3.37 H new ATOM 1857 N THR A 127 2.249 8.368 1.549 1.00 1.39 N ATOM 1858 CA THR A 127 2.522 9.134 0.325 1.00 1.51 C ATOM 1859 C THR A 127 2.107 8.317 -0.895 1.00 1.44 C ATOM 1860 O THR A 127 2.278 7.101 -0.877 1.00 1.72 O ATOM 1861 CB THR A 127 4.010 9.499 0.335 1.00 1.61 C ATOM 1862 OG1 THR A 127 4.200 10.410 1.394 1.00 2.33 O ATOM 1863 CG2 THR A 127 4.511 10.185 -0.930 1.00 1.95 C ATOM 0 H THR A 127 2.357 7.363 1.414 1.00 1.39 H new ATOM 0 HA THR A 127 1.943 10.057 0.280 1.00 1.51 H new ATOM 0 HB THR A 127 4.563 8.564 0.428 1.00 1.61 H new ATOM 0 HG1 THR A 127 5.144 10.669 1.437 1.00 2.33 H new ATOM 0 HG21 THR A 127 5.574 10.404 -0.829 1.00 1.95 H new ATOM 0 HG22 THR A 127 4.356 9.528 -1.786 1.00 1.95 H new ATOM 0 HG23 THR A 127 3.962 11.114 -1.082 1.00 1.95 H new ATOM 1871 N LEU A 128 1.556 8.963 -1.932 1.00 1.25 N ATOM 1872 CA LEU A 128 0.964 8.294 -3.101 1.00 1.33 C ATOM 1873 C LEU A 128 1.008 9.145 -4.385 1.00 1.80 C ATOM 1874 O LEU A 128 0.012 9.321 -5.083 1.00 3.21 O ATOM 1875 CB LEU A 128 -0.442 7.748 -2.763 1.00 1.37 C ATOM 1876 CG LEU A 128 -1.578 8.752 -2.446 1.00 1.95 C ATOM 1877 CD1 LEU A 128 -2.928 8.013 -2.533 1.00 2.79 C ATOM 1878 CD2 LEU A 128 -1.466 9.403 -1.061 1.00 2.74 C ATOM 0 H LEU A 128 1.508 9.981 -1.984 1.00 1.25 H new ATOM 0 HA LEU A 128 1.593 7.436 -3.337 1.00 1.33 H new ATOM 0 HB2 LEU A 128 -0.769 7.135 -3.603 1.00 1.37 H new ATOM 0 HB3 LEU A 128 -0.340 7.084 -1.905 1.00 1.37 H new ATOM 0 HG LEU A 128 -1.499 9.555 -3.179 1.00 1.95 H new ATOM 0 HD11 LEU A 128 -3.738 8.708 -2.312 1.00 2.79 H new ATOM 0 HD12 LEU A 128 -3.059 7.611 -3.538 1.00 2.79 H new ATOM 0 HD13 LEU A 128 -2.943 7.197 -1.811 1.00 2.79 H new ATOM 0 HD21 LEU A 128 -2.297 10.092 -0.915 1.00 2.74 H new ATOM 0 HD22 LEU A 128 -1.496 8.631 -0.292 1.00 2.74 H new ATOM 0 HD23 LEU A 128 -0.525 9.949 -0.991 1.00 2.74 H new ATOM 1890 N LYS A 129 2.170 9.707 -4.722 1.00 1.48 N ATOM 1891 CA LYS A 129 2.330 10.619 -5.850 1.00 1.82 C ATOM 1892 C LYS A 129 2.069 9.878 -7.165 1.00 1.34 C ATOM 1893 O LYS A 129 2.529 8.752 -7.398 1.00 1.23 O ATOM 1894 CB LYS A 129 3.748 11.239 -5.831 1.00 2.56 C ATOM 1895 CG LYS A 129 3.766 12.601 -6.551 1.00 3.60 C ATOM 1896 CD LYS A 129 5.143 13.236 -6.810 1.00 4.17 C ATOM 1897 CE LYS A 129 5.912 12.524 -7.942 1.00 4.27 C ATOM 1898 NZ LYS A 129 6.819 13.442 -8.683 1.00 5.24 N ATOM 0 H LYS A 129 3.036 9.538 -4.211 1.00 1.48 H new ATOM 0 HA LYS A 129 1.604 11.427 -5.766 1.00 1.82 H new ATOM 0 HB2 LYS A 129 4.080 11.364 -4.800 1.00 2.56 H new ATOM 0 HB3 LYS A 129 4.452 10.560 -6.312 1.00 2.56 H new ATOM 0 HG2 LYS A 129 3.261 12.484 -7.510 1.00 3.60 H new ATOM 0 HG3 LYS A 129 3.175 13.303 -5.963 1.00 3.60 H new ATOM 0 HD2 LYS A 129 5.013 14.287 -7.067 1.00 4.17 H new ATOM 0 HD3 LYS A 129 5.734 13.202 -5.895 1.00 4.17 H new ATOM 0 HE2 LYS A 129 6.495 11.705 -7.521 1.00 4.27 H new ATOM 0 HE3 LYS A 129 5.199 12.083 -8.639 1.00 4.27 H new ATOM 0 HZ1 LYS A 129 7.311 12.914 -9.432 1.00 5.24 H new ATOM 0 HZ2 LYS A 129 6.263 14.210 -9.109 1.00 5.24 H new ATOM 0 HZ3 LYS A 129 7.518 13.844 -8.026 1.00 5.24 H new ATOM 1912 N ALA A 130 1.347 10.542 -8.057 1.00 1.47 N ATOM 1913 CA ALA A 130 1.314 10.113 -9.462 1.00 1.23 C ATOM 1914 C ALA A 130 2.643 10.382 -10.181 1.00 1.39 C ATOM 1915 O ALA A 130 3.450 11.194 -9.726 1.00 1.75 O ATOM 1916 CB ALA A 130 0.119 10.707 -10.214 1.00 1.62 C ATOM 0 H ALA A 130 0.784 11.366 -7.846 1.00 1.47 H new ATOM 0 HA ALA A 130 1.177 9.032 -9.458 1.00 1.23 H new ATOM 0 HB1 ALA A 130 0.133 10.364 -11.249 1.00 1.62 H new ATOM 0 HB2 ALA A 130 -0.807 10.385 -9.738 1.00 1.62 H new ATOM 0 HB3 ALA A 130 0.179 11.795 -10.192 1.00 1.62 H new ATOM 1922 N THR A 131 2.811 9.723 -11.338 1.00 1.44 N ATOM 1923 CA THR A 131 3.904 9.889 -12.314 1.00 1.87 C ATOM 1924 C THR A 131 4.304 11.337 -12.591 1.00 2.28 C ATOM 1925 O THR A 131 5.459 11.573 -12.935 1.00 2.75 O ATOM 1926 CB THR A 131 3.555 9.187 -13.633 1.00 2.21 C ATOM 1927 OG1 THR A 131 2.487 9.890 -14.219 1.00 3.39 O ATOM 1928 CG2 THR A 131 3.125 7.731 -13.437 1.00 2.33 C ATOM 0 H THR A 131 2.144 9.012 -11.638 1.00 1.44 H new ATOM 0 HA THR A 131 4.773 9.424 -11.848 1.00 1.87 H new ATOM 0 HB THR A 131 4.447 9.180 -14.260 1.00 2.21 H new ATOM 0 HG1 THR A 131 2.242 9.465 -15.067 1.00 3.39 H new ATOM 0 HG21 THR A 131 2.891 7.287 -14.405 1.00 2.33 H new ATOM 0 HG22 THR A 131 3.935 7.172 -12.968 1.00 2.33 H new ATOM 0 HG23 THR A 131 2.242 7.695 -12.798 1.00 2.33 H new ATOM 1936 N ASP A 132 3.352 12.266 -12.485 1.00 2.31 N ATOM 1937 CA ASP A 132 3.567 13.716 -12.417 1.00 2.98 C ATOM 1938 C ASP A 132 2.327 14.418 -11.825 1.00 2.99 C ATOM 1939 O ASP A 132 1.650 15.201 -12.497 1.00 3.38 O ATOM 1940 CB ASP A 132 3.991 14.271 -13.790 1.00 3.58 C ATOM 1941 CG ASP A 132 4.426 15.735 -13.702 1.00 5.02 C ATOM 1942 OD1 ASP A 132 5.070 16.104 -12.694 1.00 6.26 O ATOM 1943 OD2 ASP A 132 4.141 16.470 -14.679 1.00 5.44 O ATOM 0 H ASP A 132 2.363 12.018 -12.442 1.00 2.31 H new ATOM 0 HA ASP A 132 4.393 13.928 -11.739 1.00 2.98 H new ATOM 0 HB2 ASP A 132 4.810 13.672 -14.187 1.00 3.58 H new ATOM 0 HB3 ASP A 132 3.161 14.180 -14.491 1.00 3.58 H new ATOM 1948 N GLY A 133 1.968 14.053 -10.582 1.00 3.01 N ATOM 1949 CA GLY A 133 0.789 14.627 -9.916 1.00 3.43 C ATOM 1950 C GLY A 133 0.263 13.890 -8.682 1.00 3.94 C ATOM 1951 O GLY A 133 1.027 13.424 -7.833 1.00 4.60 O ATOM 0 H GLY A 133 2.475 13.367 -10.022 1.00 3.01 H new ATOM 0 HA2 GLY A 133 1.029 15.649 -9.624 1.00 3.43 H new ATOM 0 HA3 GLY A 133 -0.018 14.685 -10.646 1.00 3.43 H new ATOM 1955 N ARG A 134 -1.065 13.809 -8.576 1.00 4.51 N ATOM 1956 CA ARG A 134 -1.871 13.406 -7.439 1.00 5.82 C ATOM 1957 C ARG A 134 -1.374 14.058 -6.151 1.00 4.85 C ATOM 1958 O ARG A 134 -1.278 15.283 -6.061 1.00 4.80 O ATOM 1959 CB ARG A 134 -2.116 11.879 -7.483 1.00 7.19 C ATOM 1960 CG ARG A 134 -3.511 11.402 -7.025 1.00 9.34 C ATOM 1961 CD ARG A 134 -3.642 10.991 -5.550 1.00 10.53 C ATOM 1962 NE ARG A 134 -4.306 9.675 -5.404 1.00 12.74 N ATOM 1963 CZ ARG A 134 -5.618 9.442 -5.367 1.00 14.35 C ATOM 1964 NH1 ARG A 134 -6.508 10.410 -5.259 1.00 14.34 N ATOM 1965 NH2 ARG A 134 -6.069 8.199 -5.347 1.00 16.28 N ATOM 0 H ARG A 134 -1.656 14.051 -9.371 1.00 4.51 H new ATOM 0 HA ARG A 134 -2.886 13.802 -7.483 1.00 5.82 H new ATOM 0 HB2 ARG A 134 -1.954 11.535 -8.504 1.00 7.19 H new ATOM 0 HB3 ARG A 134 -1.365 11.393 -6.860 1.00 7.19 H new ATOM 0 HG2 ARG A 134 -4.227 12.200 -7.222 1.00 9.34 H new ATOM 0 HG3 ARG A 134 -3.802 10.553 -7.643 1.00 9.34 H new ATOM 0 HD2 ARG A 134 -2.653 10.952 -5.094 1.00 10.53 H new ATOM 0 HD3 ARG A 134 -4.212 11.748 -5.011 1.00 10.53 H new ATOM 0 HE ARG A 134 -3.695 8.862 -5.323 1.00 12.74 H new ATOM 0 HH11 ARG A 134 -6.201 11.381 -5.200 1.00 14.34 H new ATOM 0 HH12 ARG A 134 -7.503 10.187 -5.234 1.00 14.34 H new ATOM 0 HH21 ARG A 134 -5.413 7.418 -5.360 1.00 16.28 H new ATOM 0 HH22 ARG A 134 -7.073 8.021 -5.319 1.00 16.28 H new ATOM 1979 N THR A 135 -1.023 13.228 -5.180 1.00 4.66 N ATOM 1980 CA THR A 135 -0.833 13.655 -3.782 1.00 4.29 C ATOM 1981 C THR A 135 0.328 12.964 -3.107 1.00 2.92 C ATOM 1982 O THR A 135 0.492 11.754 -3.210 1.00 3.63 O ATOM 1983 CB THR A 135 -2.097 13.445 -2.928 1.00 6.00 C ATOM 1984 OG1 THR A 135 -3.241 13.716 -3.686 1.00 7.56 O ATOM 1985 CG2 THR A 135 -2.144 14.399 -1.733 1.00 6.33 C ATOM 0 H THR A 135 -0.859 12.233 -5.330 1.00 4.66 H new ATOM 0 HA THR A 135 -0.615 14.721 -3.846 1.00 4.29 H new ATOM 0 HB THR A 135 -2.067 12.410 -2.586 1.00 6.00 H new ATOM 0 HG1 THR A 135 -4.039 13.578 -3.134 1.00 7.56 H new ATOM 0 HG21 THR A 135 -3.052 14.217 -1.158 1.00 6.33 H new ATOM 0 HG22 THR A 135 -1.273 14.232 -1.099 1.00 6.33 H new ATOM 0 HG23 THR A 135 -2.141 15.429 -2.089 1.00 6.33 H new ATOM 1993 N LEU A 136 1.125 13.754 -2.387 1.00 2.21 N ATOM 1994 CA LEU A 136 2.262 13.310 -1.591 1.00 1.50 C ATOM 1995 C LEU A 136 1.853 13.028 -0.124 1.00 1.41 C ATOM 1996 O LEU A 136 1.037 12.142 0.104 1.00 1.67 O ATOM 1997 CB LEU A 136 3.466 14.257 -1.800 1.00 2.71 C ATOM 1998 CG LEU A 136 3.208 15.772 -1.595 1.00 3.40 C ATOM 1999 CD1 LEU A 136 4.493 16.452 -1.112 1.00 4.55 C ATOM 2000 CD2 LEU A 136 2.752 16.482 -2.885 1.00 4.13 C ATOM 0 H LEU A 136 0.987 14.764 -2.343 1.00 2.21 H new ATOM 0 HA LEU A 136 2.613 12.339 -1.942 1.00 1.50 H new ATOM 0 HB2 LEU A 136 4.260 13.952 -1.118 1.00 2.71 H new ATOM 0 HB3 LEU A 136 3.842 14.110 -2.813 1.00 2.71 H new ATOM 0 HG LEU A 136 2.409 15.854 -0.858 1.00 3.40 H new ATOM 0 HD11 LEU A 136 4.309 17.517 -0.969 1.00 4.55 H new ATOM 0 HD12 LEU A 136 4.807 16.007 -0.168 1.00 4.55 H new ATOM 0 HD13 LEU A 136 5.278 16.316 -1.856 1.00 4.55 H new ATOM 0 HD21 LEU A 136 2.587 17.540 -2.679 1.00 4.13 H new ATOM 0 HD22 LEU A 136 3.522 16.377 -3.650 1.00 4.13 H new ATOM 0 HD23 LEU A 136 1.824 16.032 -3.239 1.00 4.13 H new ATOM 2012 N ASN A 137 2.414 13.736 0.859 1.00 1.45 N ATOM 2013 CA ASN A 137 2.180 13.545 2.292 1.00 1.45 C ATOM 2014 C ASN A 137 0.688 13.605 2.670 1.00 1.58 C ATOM 2015 O ASN A 137 0.063 14.670 2.725 1.00 2.04 O ATOM 2016 CB ASN A 137 3.006 14.565 3.087 1.00 1.67 C ATOM 2017 CG ASN A 137 2.824 14.384 4.589 1.00 2.60 C ATOM 2018 OD1 ASN A 137 2.675 13.281 5.090 1.00 3.70 O ATOM 2019 ND2 ASN A 137 2.801 15.461 5.344 1.00 2.97 N ATOM 0 H ASN A 137 3.073 14.491 0.669 1.00 1.45 H new ATOM 0 HA ASN A 137 2.507 12.538 2.552 1.00 1.45 H new ATOM 0 HB2 ASN A 137 4.060 14.458 2.832 1.00 1.67 H new ATOM 0 HB3 ASN A 137 2.710 15.575 2.803 1.00 1.67 H new ATOM 0 HD21 ASN A 137 2.658 15.375 6.350 1.00 2.97 H new ATOM 0 HD22 ASN A 137 2.926 16.382 4.923 1.00 2.97 H new ATOM 2026 N VAL A 138 0.147 12.431 2.977 1.00 1.32 N ATOM 2027 CA VAL A 138 -1.229 12.162 3.418 1.00 1.49 C ATOM 2028 C VAL A 138 -1.204 11.423 4.773 1.00 1.29 C ATOM 2029 O VAL A 138 -0.206 10.790 5.120 1.00 1.26 O ATOM 2030 CB VAL A 138 -1.984 11.388 2.301 1.00 1.76 C ATOM 2031 CG1 VAL A 138 -3.298 10.721 2.744 1.00 1.91 C ATOM 2032 CG2 VAL A 138 -2.325 12.361 1.156 1.00 2.27 C ATOM 0 H VAL A 138 0.696 11.573 2.922 1.00 1.32 H new ATOM 0 HA VAL A 138 -1.775 13.091 3.583 1.00 1.49 H new ATOM 0 HB VAL A 138 -1.307 10.589 1.999 1.00 1.76 H new ATOM 0 HG11 VAL A 138 -3.749 10.207 1.895 1.00 1.91 H new ATOM 0 HG12 VAL A 138 -3.092 10.001 3.536 1.00 1.91 H new ATOM 0 HG13 VAL A 138 -3.985 11.482 3.115 1.00 1.91 H new ATOM 0 HG21 VAL A 138 -2.855 11.825 0.369 1.00 2.27 H new ATOM 0 HG22 VAL A 138 -2.956 13.164 1.537 1.00 2.27 H new ATOM 0 HG23 VAL A 138 -1.405 12.784 0.752 1.00 2.27 H new ATOM 2042 N ALA A 139 -2.279 11.535 5.562 1.00 1.42 N ATOM 2043 CA ALA A 139 -2.438 10.816 6.828 1.00 1.44 C ATOM 2044 C ALA A 139 -3.266 9.528 6.646 1.00 1.45 C ATOM 2045 O ALA A 139 -4.273 9.522 5.939 1.00 1.74 O ATOM 2046 CB ALA A 139 -3.087 11.764 7.840 1.00 2.04 C ATOM 0 H ALA A 139 -3.072 12.135 5.335 1.00 1.42 H new ATOM 0 HA ALA A 139 -1.462 10.501 7.196 1.00 1.44 H new ATOM 0 HB1 ALA A 139 -3.215 11.248 8.792 1.00 2.04 H new ATOM 0 HB2 ALA A 139 -2.449 12.636 7.983 1.00 2.04 H new ATOM 0 HB3 ALA A 139 -4.060 12.084 7.467 1.00 2.04 H new ATOM 2052 N ALA A 140 -2.861 8.457 7.329 1.00 1.36 N ATOM 2053 CA ALA A 140 -3.543 7.160 7.352 1.00 1.43 C ATOM 2054 C ALA A 140 -3.505 6.532 8.758 1.00 1.21 C ATOM 2055 O ALA A 140 -3.028 7.167 9.707 1.00 1.23 O ATOM 2056 CB ALA A 140 -2.915 6.276 6.271 1.00 1.54 C ATOM 0 H ALA A 140 -2.018 8.468 7.903 1.00 1.36 H new ATOM 0 HA ALA A 140 -4.603 7.278 7.127 1.00 1.43 H new ATOM 0 HB1 ALA A 140 -3.405 5.303 6.267 1.00 1.54 H new ATOM 0 HB2 ALA A 140 -3.039 6.749 5.297 1.00 1.54 H new ATOM 0 HB3 ALA A 140 -1.853 6.146 6.479 1.00 1.54 H new ATOM 2062 N THR A 141 -4.046 5.315 8.907 1.00 1.15 N ATOM 2063 CA THR A 141 -4.372 4.700 10.207 1.00 1.13 C ATOM 2064 C THR A 141 -3.787 3.296 10.286 1.00 0.91 C ATOM 2065 O THR A 141 -3.624 2.636 9.254 1.00 0.85 O ATOM 2066 CB THR A 141 -5.898 4.631 10.406 1.00 1.39 C ATOM 2067 OG1 THR A 141 -6.574 5.666 9.725 1.00 1.50 O ATOM 2068 CG2 THR A 141 -6.282 4.771 11.880 1.00 1.57 C ATOM 0 H THR A 141 -4.275 4.716 8.113 1.00 1.15 H new ATOM 0 HA THR A 141 -3.939 5.317 10.994 1.00 1.13 H new ATOM 0 HB THR A 141 -6.190 3.657 10.012 1.00 1.39 H new ATOM 0 HG1 THR A 141 -7.538 5.582 9.877 1.00 1.50 H new ATOM 0 HG21 THR A 141 -7.366 4.717 11.980 1.00 1.57 H new ATOM 0 HG22 THR A 141 -5.824 3.965 12.453 1.00 1.57 H new ATOM 0 HG23 THR A 141 -5.930 5.731 12.258 1.00 1.57 H new ATOM 2076 N VAL A 142 -3.517 2.803 11.497 1.00 0.94 N ATOM 2077 CA VAL A 142 -3.301 1.368 11.672 1.00 0.83 C ATOM 2078 C VAL A 142 -4.693 0.734 11.886 1.00 0.89 C ATOM 2079 O VAL A 142 -5.646 1.419 12.257 1.00 1.10 O ATOM 2080 CB VAL A 142 -2.293 1.146 12.826 1.00 1.02 C ATOM 2081 CG1 VAL A 142 -1.860 -0.316 12.941 1.00 1.53 C ATOM 2082 CG2 VAL A 142 -1.014 2.001 12.719 1.00 1.24 C ATOM 0 H VAL A 142 -3.444 3.360 12.349 1.00 0.94 H new ATOM 0 HA VAL A 142 -2.850 0.883 10.806 1.00 0.83 H new ATOM 0 HB VAL A 142 -2.846 1.456 13.713 1.00 1.02 H new ATOM 0 HG11 VAL A 142 -1.153 -0.422 13.764 1.00 1.53 H new ATOM 0 HG12 VAL A 142 -2.733 -0.940 13.130 1.00 1.53 H new ATOM 0 HG13 VAL A 142 -1.384 -0.629 12.011 1.00 1.53 H new ATOM 0 HG21 VAL A 142 -0.361 1.786 13.565 1.00 1.24 H new ATOM 0 HG22 VAL A 142 -0.495 1.764 11.790 1.00 1.24 H new ATOM 0 HG23 VAL A 142 -1.281 3.058 12.726 1.00 1.24 H new ATOM 2092 N LYS A 143 -4.864 -0.568 11.639 1.00 0.94 N ATOM 2093 CA LYS A 143 -6.091 -1.292 12.009 1.00 1.06 C ATOM 2094 C LYS A 143 -5.837 -2.815 12.048 1.00 1.22 C ATOM 2095 O LYS A 143 -5.772 -3.501 11.022 1.00 1.77 O ATOM 2096 CB LYS A 143 -7.257 -0.898 11.062 1.00 1.24 C ATOM 2097 CG LYS A 143 -8.648 -0.869 11.717 1.00 1.50 C ATOM 2098 CD LYS A 143 -9.660 -0.198 10.767 1.00 2.00 C ATOM 2099 CE LYS A 143 -11.076 -0.127 11.360 1.00 2.57 C ATOM 2100 NZ LYS A 143 -11.984 0.674 10.499 1.00 3.26 N ATOM 0 H LYS A 143 -4.163 -1.150 11.180 1.00 0.94 H new ATOM 0 HA LYS A 143 -6.389 -1.002 13.017 1.00 1.06 H new ATOM 0 HB2 LYS A 143 -7.048 0.087 10.645 1.00 1.24 H new ATOM 0 HB3 LYS A 143 -7.280 -1.599 10.228 1.00 1.24 H new ATOM 0 HG2 LYS A 143 -8.971 -1.884 11.950 1.00 1.50 H new ATOM 0 HG3 LYS A 143 -8.604 -0.324 12.660 1.00 1.50 H new ATOM 0 HD2 LYS A 143 -9.318 0.810 10.533 1.00 2.00 H new ATOM 0 HD3 LYS A 143 -9.691 -0.750 9.828 1.00 2.00 H new ATOM 0 HE2 LYS A 143 -11.475 -1.135 11.474 1.00 2.57 H new ATOM 0 HE3 LYS A 143 -11.033 0.314 12.356 1.00 2.57 H new ATOM 0 HZ1 LYS A 143 -12.932 0.703 10.926 1.00 3.26 H new ATOM 0 HZ2 LYS A 143 -11.614 1.642 10.411 1.00 3.26 H new ATOM 0 HZ3 LYS A 143 -12.042 0.238 9.556 1.00 3.26 H new ATOM 2114 N LYS A 144 -5.702 -3.338 13.265 1.00 1.35 N ATOM 2115 CA LYS A 144 -5.541 -4.769 13.513 1.00 1.61 C ATOM 2116 C LYS A 144 -6.805 -5.580 13.207 1.00 2.14 C ATOM 2117 O LYS A 144 -7.887 -5.270 13.704 1.00 3.26 O ATOM 2118 CB LYS A 144 -5.004 -5.010 14.934 1.00 2.46 C ATOM 2119 CG LYS A 144 -5.836 -4.384 16.065 1.00 3.64 C ATOM 2120 CD LYS A 144 -6.639 -5.382 16.904 1.00 4.39 C ATOM 2121 CE LYS A 144 -7.126 -4.614 18.135 1.00 5.80 C ATOM 2122 NZ LYS A 144 -8.103 -5.365 18.950 1.00 6.65 N ATOM 0 H LYS A 144 -5.701 -2.774 14.115 1.00 1.35 H new ATOM 0 HA LYS A 144 -4.797 -5.142 12.809 1.00 1.61 H new ATOM 0 HB2 LYS A 144 -4.941 -6.085 15.104 1.00 2.46 H new ATOM 0 HB3 LYS A 144 -3.989 -4.618 14.992 1.00 2.46 H new ATOM 0 HG2 LYS A 144 -5.167 -3.832 16.725 1.00 3.64 H new ATOM 0 HG3 LYS A 144 -6.525 -3.659 15.631 1.00 3.64 H new ATOM 0 HD2 LYS A 144 -7.480 -5.780 16.336 1.00 4.39 H new ATOM 0 HD3 LYS A 144 -6.021 -6.231 17.195 1.00 4.39 H new ATOM 0 HE2 LYS A 144 -6.268 -4.357 18.756 1.00 5.80 H new ATOM 0 HE3 LYS A 144 -7.578 -3.676 17.813 1.00 5.80 H new ATOM 0 HZ1 LYS A 144 -8.391 -4.788 19.766 1.00 6.65 H new ATOM 0 HZ2 LYS A 144 -8.938 -5.588 18.372 1.00 6.65 H new ATOM 0 HZ3 LYS A 144 -7.669 -6.248 19.286 1.00 6.65 H new ATOM 2136 N ASN A 145 -6.626 -6.637 12.414 1.00 2.20 N ATOM 2137 CA ASN A 145 -7.631 -7.662 12.101 1.00 3.23 C ATOM 2138 C ASN A 145 -6.938 -8.926 11.551 1.00 2.97 C ATOM 2139 O ASN A 145 -7.411 -9.572 10.618 1.00 3.78 O ATOM 2140 CB ASN A 145 -8.730 -7.097 11.164 1.00 4.50 C ATOM 2141 CG ASN A 145 -10.087 -7.756 11.381 1.00 5.60 C ATOM 2142 OD1 ASN A 145 -11.057 -7.103 11.716 1.00 6.29 O ATOM 2143 ND2 ASN A 145 -10.190 -9.061 11.238 1.00 6.48 N ATOM 0 H ASN A 145 -5.735 -6.813 11.949 1.00 2.20 H new ATOM 0 HA ASN A 145 -8.149 -7.958 13.013 1.00 3.23 H new ATOM 0 HB2 ASN A 145 -8.823 -6.023 11.326 1.00 4.50 H new ATOM 0 HB3 ASN A 145 -8.425 -7.238 10.127 1.00 4.50 H new ATOM 0 HD21 ASN A 145 -11.083 -9.524 11.408 1.00 6.48 H new ATOM 0 HD22 ASN A 145 -9.377 -9.609 10.957 1.00 6.48 H new ATOM 2150 N ILE A 146 -5.735 -9.202 12.065 1.00 2.38 N ATOM 2151 CA ILE A 146 -4.718 -10.127 11.579 1.00 2.42 C ATOM 2152 C ILE A 146 -3.728 -10.297 12.745 1.00 2.74 C ATOM 2153 O ILE A 146 -4.136 -10.235 13.896 1.00 3.74 O ATOM 2154 CB ILE A 146 -4.163 -9.608 10.221 1.00 2.68 C ATOM 2155 CG1 ILE A 146 -3.355 -10.678 9.452 1.00 3.45 C ATOM 2156 CG2 ILE A 146 -3.398 -8.282 10.380 1.00 3.79 C ATOM 2157 CD1 ILE A 146 -3.167 -10.351 7.964 1.00 4.21 C ATOM 0 H ILE A 146 -5.423 -8.734 12.916 1.00 2.38 H new ATOM 0 HA ILE A 146 -5.071 -11.127 11.325 1.00 2.42 H new ATOM 0 HB ILE A 146 -5.030 -9.393 9.596 1.00 2.68 H new ATOM 0 HG12 ILE A 146 -2.376 -10.787 9.918 1.00 3.45 H new ATOM 0 HG13 ILE A 146 -3.861 -11.639 9.544 1.00 3.45 H new ATOM 0 HG21 ILE A 146 -3.028 -7.956 9.408 1.00 3.79 H new ATOM 0 HG22 ILE A 146 -4.066 -7.523 10.787 1.00 3.79 H new ATOM 0 HG23 ILE A 146 -2.557 -8.426 11.058 1.00 3.79 H new ATOM 0 HD11 ILE A 146 -2.591 -11.144 7.487 1.00 4.21 H new ATOM 0 HD12 ILE A 146 -4.142 -10.271 7.483 1.00 4.21 H new ATOM 0 HD13 ILE A 146 -2.634 -9.406 7.864 1.00 4.21 H new ATOM 2169 N GLU A 147 -2.446 -10.470 12.485 1.00 2.72 N ATOM 2170 CA GLU A 147 -1.431 -10.949 13.441 1.00 3.38 C ATOM 2171 C GLU A 147 -0.737 -9.795 14.200 1.00 3.58 C ATOM 2172 O GLU A 147 0.490 -9.772 14.324 1.00 5.03 O ATOM 2173 CB GLU A 147 -0.455 -11.906 12.708 1.00 4.52 C ATOM 2174 CG GLU A 147 -1.240 -13.046 12.019 1.00 5.40 C ATOM 2175 CD GLU A 147 -0.402 -14.207 11.467 1.00 6.71 C ATOM 2176 OE1 GLU A 147 0.817 -14.076 11.246 1.00 7.26 O ATOM 2177 OE2 GLU A 147 -1.063 -15.269 11.248 1.00 7.67 O ATOM 0 H GLU A 147 -2.053 -10.275 11.564 1.00 2.72 H new ATOM 0 HA GLU A 147 -1.920 -11.519 14.231 1.00 3.38 H new ATOM 0 HB2 GLU A 147 0.121 -11.352 11.967 1.00 4.52 H new ATOM 0 HB3 GLU A 147 0.258 -12.324 13.419 1.00 4.52 H new ATOM 0 HG2 GLU A 147 -1.956 -13.450 12.734 1.00 5.40 H new ATOM 0 HG3 GLU A 147 -1.816 -12.618 11.198 1.00 5.40 H new ATOM 2184 N GLY A 148 -1.534 -8.823 14.671 1.00 3.21 N ATOM 2185 CA GLY A 148 -1.142 -7.611 15.382 1.00 4.36 C ATOM 2186 C GLY A 148 -2.246 -7.200 16.363 1.00 5.13 C ATOM 2187 O GLY A 148 -3.318 -7.806 16.400 1.00 5.75 O ATOM 0 H GLY A 148 -2.546 -8.875 14.552 1.00 3.21 H new ATOM 0 HA2 GLY A 148 -0.210 -7.781 15.921 1.00 4.36 H new ATOM 0 HA3 GLY A 148 -0.957 -6.806 14.671 1.00 4.36 H new ATOM 2191 N ARG A 149 -1.983 -6.170 17.167 1.00 5.63 N ATOM 2192 CA ARG A 149 -2.829 -5.740 18.310 1.00 6.82 C ATOM 2193 C ARG A 149 -3.084 -4.224 18.414 1.00 8.25 C ATOM 2194 O ARG A 149 -2.362 -3.429 17.771 1.00 8.92 O ATOM 2195 CB ARG A 149 -2.251 -6.313 19.628 1.00 6.92 C ATOM 2196 CG ARG A 149 -3.305 -7.044 20.488 1.00 7.69 C ATOM 2197 CD ARG A 149 -3.621 -8.454 19.954 1.00 7.72 C ATOM 2198 NE ARG A 149 -4.796 -9.053 20.616 1.00 9.16 N ATOM 2199 CZ ARG A 149 -4.868 -9.889 21.635 1.00 9.76 C ATOM 2200 NH1 ARG A 149 -3.836 -10.378 22.262 1.00 9.24 N ATOM 2201 NH2 ARG A 149 -6.026 -10.286 22.054 1.00 11.26 N ATOM 2202 OXT ARG A 149 -4.049 -3.872 19.130 1.00 9.16 O ATOM 0 H ARG A 149 -1.155 -5.587 17.048 1.00 5.63 H new ATOM 0 HA ARG A 149 -3.819 -6.154 18.120 1.00 6.82 H new ATOM 0 HB2 ARG A 149 -1.442 -7.004 19.392 1.00 6.92 H new ATOM 0 HB3 ARG A 149 -1.817 -5.500 20.210 1.00 6.92 H new ATOM 0 HG2 ARG A 149 -2.945 -7.119 21.514 1.00 7.69 H new ATOM 0 HG3 ARG A 149 -4.221 -6.454 20.514 1.00 7.69 H new ATOM 0 HD2 ARG A 149 -3.799 -8.402 18.880 1.00 7.72 H new ATOM 0 HD3 ARG A 149 -2.755 -9.099 20.103 1.00 7.72 H new ATOM 0 HE ARG A 149 -5.696 -8.777 20.224 1.00 9.16 H new ATOM 0 HH11 ARG A 149 -2.893 -10.118 21.972 1.00 9.24 H new ATOM 0 HH12 ARG A 149 -3.971 -11.020 23.043 1.00 9.24 H new ATOM 0 HH21 ARG A 149 -6.875 -9.953 21.597 1.00 11.26 H new ATOM 0 HH22 ARG A 149 -6.090 -10.932 22.841 1.00 11.26 H new TER 2216 ARG A 149