USER MOD reduce.3.24.130724 H: found=0, std=0, add=1138, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1135 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 131 HIS : no HD1:sc= 0.155 K(o=-0.041,f=-0.88) USER MOD Set 1.2: A 135 HIS : no HD1:sc= -0.196 K(o=-0.041,f=-3) USER MOD Set 2.1: A 107 TYR OH : rot 180:sc= 0.67 USER MOD Set 2.2: A 125 LYS NZ :NH3+ -177:sc= 0.747 (180deg=-0.0426) USER MOD Set 3.1: A 96 TYR OH : rot 151:sc= 0.841 USER MOD Set 3.2: A 100 LYS NZ :NH3+ -161:sc= 0.96 (180deg=0) USER MOD Set 4.1: A 74 GLN : amide:sc= -0.0979 X(o=-0.098,f=-0.55) USER MOD Set 4.2: A 104 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 25 HIS : no HD1:sc= -0.052 X(o=-0.095,f=-0.17) USER MOD Set 5.2: A 128 SER OG : rot 180:sc= -0.043 USER MOD Single : A 1 MET CE :methyl -166:sc= -0.0524 (180deg=-0.331) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 22:sc= -0.718 USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= 0.443 (180deg=0.395) USER MOD Single : A 23 GLN : amide:sc= -0.3 K(o=-0.3,f=-1) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 30 LYS NZ :NH3+ -152:sc= 0.912 (180deg=0.436) USER MOD Single : A 31 THR OG1 : rot 28:sc= 0.559 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0141 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -137:sc= 1.26 (180deg=-0.0493) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.025) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -164:sc= 0.967 (180deg=0.658) USER MOD Single : A 101 LYS NZ :NH3+ 172:sc=-4.06e-05 (180deg=-0.0842) USER MOD Single : A 102 LYS NZ :NH3+ -157:sc= 0.00847 (180deg=-0.00612) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -9:sc= -0.168 USER MOD Single : A 111 ASN : amide:sc= -0.724 K(o=-0.72,f=-6.2!) USER MOD Single : A 116 LYS NZ :NH3+ -152:sc= 0.284 (180deg=0.0584) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ -166:sc= 0.158 (180deg=0.101) USER MOD Single : A 126 SER OG : rot -0:sc= 0.365 USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 133 HIS : no HD1:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 134 HIS : no HE2:sc= 0.13 K(o=0.13,f=-0.55) USER MOD Single : A 136 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.118 -0.276 15.851 1.00 53.22 N ATOM 2 CA MET A 1 4.487 0.131 15.462 1.00 74.40 C ATOM 3 C MET A 1 4.696 -0.104 13.954 1.00 43.13 C ATOM 4 O MET A 1 4.964 0.843 13.198 1.00 10.34 O ATOM 5 CB MET A 1 5.537 -0.656 16.301 1.00 34.22 C ATOM 6 CG MET A 1 7.003 -0.333 15.984 1.00 54.20 C ATOM 7 SD MET A 1 8.162 -1.317 16.958 1.00 2.34 S ATOM 8 CE MET A 1 7.808 -0.784 18.637 1.00 24.53 C ATOM 0 H1 MET A 1 2.984 -0.115 16.870 1.00 53.22 H new ATOM 0 H2 MET A 1 2.424 0.286 15.317 1.00 53.22 H new ATOM 0 H3 MET A 1 2.983 -1.285 15.640 1.00 53.22 H new ATOM 0 HA MET A 1 4.618 1.194 15.664 1.00 74.40 H new ATOM 0 HB2 MET A 1 5.358 -0.456 17.357 1.00 34.22 H new ATOM 0 HB3 MET A 1 5.375 -1.723 16.147 1.00 34.22 H new ATOM 0 HG2 MET A 1 7.188 -0.506 14.924 1.00 54.20 H new ATOM 0 HG3 MET A 1 7.186 0.725 16.170 1.00 54.20 H new ATOM 0 HE1 MET A 1 8.606 -1.118 19.301 1.00 24.53 H new ATOM 0 HE2 MET A 1 7.742 0.304 18.667 1.00 24.53 H new ATOM 0 HE3 MET A 1 6.861 -1.214 18.963 1.00 24.53 H new ATOM 20 N GLY A 2 4.578 -1.386 13.532 1.00 14.30 N ATOM 21 CA GLY A 2 4.695 -1.758 12.121 1.00 2.43 C ATOM 22 C GLY A 2 3.509 -1.255 11.300 1.00 25.24 C ATOM 23 O GLY A 2 2.359 -1.382 11.725 1.00 25.22 O ATOM 0 H GLY A 2 4.402 -2.173 14.157 1.00 14.30 H new ATOM 0 HA2 GLY A 2 5.619 -1.349 11.713 1.00 2.43 H new ATOM 0 HA3 GLY A 2 4.762 -2.843 12.036 1.00 2.43 H new ATOM 27 N VAL A 3 3.792 -0.650 10.144 1.00 51.02 N ATOM 28 CA VAL A 3 2.770 -0.098 9.234 1.00 74.11 C ATOM 29 C VAL A 3 2.890 -0.791 7.868 1.00 64.24 C ATOM 30 O VAL A 3 3.990 -0.918 7.342 1.00 24.11 O ATOM 31 CB VAL A 3 2.945 1.461 9.087 1.00 25.24 C ATOM 32 CG1 VAL A 3 1.999 2.053 8.022 1.00 2.25 C ATOM 33 CG2 VAL A 3 2.743 2.169 10.446 1.00 54.10 C ATOM 0 H VAL A 3 4.746 -0.525 9.804 1.00 51.02 H new ATOM 0 HA VAL A 3 1.778 -0.283 9.645 1.00 74.11 H new ATOM 0 HB VAL A 3 3.966 1.637 8.750 1.00 25.24 H new ATOM 0 HG11 VAL A 3 2.155 3.130 7.955 1.00 2.25 H new ATOM 0 HG12 VAL A 3 2.208 1.595 7.055 1.00 2.25 H new ATOM 0 HG13 VAL A 3 0.965 1.853 8.302 1.00 2.25 H new ATOM 0 HG21 VAL A 3 2.869 3.244 10.318 1.00 54.10 H new ATOM 0 HG22 VAL A 3 1.739 1.963 10.818 1.00 54.10 H new ATOM 0 HG23 VAL A 3 3.478 1.800 11.161 1.00 54.10 H new ATOM 43 N VAL A 4 1.760 -1.264 7.310 1.00 41.25 N ATOM 44 CA VAL A 4 1.734 -1.924 5.992 1.00 75.43 C ATOM 45 C VAL A 4 0.881 -1.080 5.027 1.00 24.44 C ATOM 46 O VAL A 4 -0.334 -0.997 5.172 1.00 41.31 O ATOM 47 CB VAL A 4 1.160 -3.392 6.096 1.00 2.13 C ATOM 48 CG1 VAL A 4 1.267 -4.135 4.744 1.00 31.00 C ATOM 49 CG2 VAL A 4 1.860 -4.187 7.226 1.00 60.15 C ATOM 0 H VAL A 4 0.845 -1.200 7.757 1.00 41.25 H new ATOM 0 HA VAL A 4 2.754 -1.999 5.614 1.00 75.43 H new ATOM 0 HB VAL A 4 0.102 -3.315 6.348 1.00 2.13 H new ATOM 0 HG11 VAL A 4 0.864 -5.142 4.849 1.00 31.00 H new ATOM 0 HG12 VAL A 4 0.700 -3.595 3.986 1.00 31.00 H new ATOM 0 HG13 VAL A 4 2.313 -4.193 4.442 1.00 31.00 H new ATOM 0 HG21 VAL A 4 1.444 -5.194 7.274 1.00 60.15 H new ATOM 0 HG22 VAL A 4 2.929 -4.245 7.022 1.00 60.15 H new ATOM 0 HG23 VAL A 4 1.700 -3.683 8.179 1.00 60.15 H new ATOM 59 N ILE A 5 1.544 -0.467 4.044 1.00 14.03 N ATOM 60 CA ILE A 5 0.922 0.442 3.075 1.00 22.10 C ATOM 61 C ILE A 5 0.696 -0.311 1.743 1.00 1.12 C ATOM 62 O ILE A 5 1.643 -0.576 1.024 1.00 60.41 O ATOM 63 CB ILE A 5 1.874 1.683 2.843 1.00 1.11 C ATOM 64 CG1 ILE A 5 2.284 2.325 4.209 1.00 40.22 C ATOM 65 CG2 ILE A 5 1.222 2.725 1.903 1.00 1.41 C ATOM 66 CD1 ILE A 5 3.431 3.319 4.129 1.00 71.53 C ATOM 0 H ILE A 5 2.546 -0.590 3.895 1.00 14.03 H new ATOM 0 HA ILE A 5 -0.038 0.793 3.454 1.00 22.10 H new ATOM 0 HB ILE A 5 2.780 1.327 2.352 1.00 1.11 H new ATOM 0 HG12 ILE A 5 1.415 2.828 4.633 1.00 40.22 H new ATOM 0 HG13 ILE A 5 2.560 1.529 4.900 1.00 40.22 H new ATOM 0 HG21 ILE A 5 1.902 3.565 1.764 1.00 1.41 H new ATOM 0 HG22 ILE A 5 1.013 2.264 0.938 1.00 1.41 H new ATOM 0 HG23 ILE A 5 0.291 3.081 2.344 1.00 1.41 H new ATOM 0 HD11 ILE A 5 3.643 3.711 5.124 1.00 71.53 H new ATOM 0 HD12 ILE A 5 4.318 2.820 3.738 1.00 71.53 H new ATOM 0 HD13 ILE A 5 3.155 4.140 3.467 1.00 71.53 H new ATOM 78 N LEU A 6 -0.566 -0.635 1.419 1.00 11.30 N ATOM 79 CA LEU A 6 -0.907 -1.382 0.194 1.00 52.12 C ATOM 80 C LEU A 6 -1.313 -0.392 -0.905 1.00 14.24 C ATOM 81 O LEU A 6 -2.436 0.103 -0.912 1.00 22.10 O ATOM 82 CB LEU A 6 -2.095 -2.349 0.481 1.00 63.04 C ATOM 83 CG LEU A 6 -1.977 -3.221 1.760 1.00 63.33 C ATOM 84 CD1 LEU A 6 -3.237 -4.072 1.962 1.00 54.32 C ATOM 85 CD2 LEU A 6 -0.719 -4.092 1.733 1.00 40.31 C ATOM 0 H LEU A 6 -1.373 -0.390 1.992 1.00 11.30 H new ATOM 0 HA LEU A 6 -0.042 -1.960 -0.130 1.00 52.12 H new ATOM 0 HB2 LEU A 6 -3.008 -1.758 0.553 1.00 63.04 H new ATOM 0 HB3 LEU A 6 -2.211 -3.012 -0.376 1.00 63.04 H new ATOM 0 HG LEU A 6 -1.886 -2.546 2.611 1.00 63.33 H new ATOM 0 HD11 LEU A 6 -3.129 -4.674 2.865 1.00 54.32 H new ATOM 0 HD12 LEU A 6 -4.104 -3.420 2.062 1.00 54.32 H new ATOM 0 HD13 LEU A 6 -3.374 -4.728 1.103 1.00 54.32 H new ATOM 0 HD21 LEU A 6 -0.670 -4.688 2.644 1.00 40.31 H new ATOM 0 HD22 LEU A 6 -0.753 -4.754 0.867 1.00 40.31 H new ATOM 0 HD23 LEU A 6 0.163 -3.455 1.668 1.00 40.31 H new ATOM 97 N VAL A 7 -0.399 -0.114 -1.838 1.00 2.23 N ATOM 98 CA VAL A 7 -0.672 0.794 -2.959 1.00 51.34 C ATOM 99 C VAL A 7 -1.168 -0.025 -4.168 1.00 73.11 C ATOM 100 O VAL A 7 -0.392 -0.730 -4.818 1.00 21.43 O ATOM 101 CB VAL A 7 0.603 1.648 -3.328 1.00 60.10 C ATOM 102 CG1 VAL A 7 0.298 2.650 -4.463 1.00 5.44 C ATOM 103 CG2 VAL A 7 1.150 2.380 -2.082 1.00 11.35 C ATOM 0 H VAL A 7 0.542 -0.507 -1.840 1.00 2.23 H new ATOM 0 HA VAL A 7 -1.450 1.498 -2.665 1.00 51.34 H new ATOM 0 HB VAL A 7 1.371 0.963 -3.688 1.00 60.10 H new ATOM 0 HG11 VAL A 7 1.196 3.223 -4.694 1.00 5.44 H new ATOM 0 HG12 VAL A 7 -0.024 2.107 -5.351 1.00 5.44 H new ATOM 0 HG13 VAL A 7 -0.494 3.329 -4.146 1.00 5.44 H new ATOM 0 HG21 VAL A 7 2.029 2.963 -2.359 1.00 11.35 H new ATOM 0 HG22 VAL A 7 0.383 3.046 -1.685 1.00 11.35 H new ATOM 0 HG23 VAL A 7 1.424 1.649 -1.322 1.00 11.35 H new ATOM 113 N LEU A 8 -2.491 0.057 -4.427 1.00 53.01 N ATOM 114 CA LEU A 8 -3.145 -0.603 -5.567 1.00 42.32 C ATOM 115 C LEU A 8 -3.119 0.351 -6.768 1.00 22.04 C ATOM 116 O LEU A 8 -3.918 1.284 -6.824 1.00 30.21 O ATOM 117 CB LEU A 8 -4.630 -0.978 -5.229 1.00 13.20 C ATOM 118 CG LEU A 8 -4.877 -2.218 -4.305 1.00 63.22 C ATOM 119 CD1 LEU A 8 -4.256 -2.037 -2.907 1.00 24.11 C ATOM 120 CD2 LEU A 8 -6.395 -2.532 -4.213 1.00 61.41 C ATOM 0 H LEU A 8 -3.136 0.589 -3.843 1.00 53.01 H new ATOM 0 HA LEU A 8 -2.608 -1.523 -5.797 1.00 42.32 H new ATOM 0 HB2 LEU A 8 -5.096 -0.112 -4.759 1.00 13.20 H new ATOM 0 HB3 LEU A 8 -5.154 -1.151 -6.169 1.00 13.20 H new ATOM 0 HG LEU A 8 -4.374 -3.071 -4.760 1.00 63.22 H new ATOM 0 HD11 LEU A 8 -4.454 -2.923 -2.303 1.00 24.11 H new ATOM 0 HD12 LEU A 8 -3.179 -1.896 -3.003 1.00 24.11 H new ATOM 0 HD13 LEU A 8 -4.695 -1.164 -2.424 1.00 24.11 H new ATOM 0 HD21 LEU A 8 -6.549 -3.396 -3.567 1.00 61.41 H new ATOM 0 HD22 LEU A 8 -6.920 -1.671 -3.799 1.00 61.41 H new ATOM 0 HD23 LEU A 8 -6.783 -2.749 -5.208 1.00 61.41 H new ATOM 132 N THR A 9 -2.217 0.113 -7.733 1.00 50.14 N ATOM 133 CA THR A 9 -2.144 0.947 -8.944 1.00 43.31 C ATOM 134 C THR A 9 -2.714 0.161 -10.129 1.00 64.13 C ATOM 135 O THR A 9 -2.321 -0.984 -10.365 1.00 14.21 O ATOM 136 CB THR A 9 -0.657 1.359 -9.257 1.00 22.11 C ATOM 137 OG1 THR A 9 0.145 0.193 -9.504 1.00 13.50 O ATOM 138 CG2 THR A 9 -0.016 2.171 -8.120 1.00 2.03 C ATOM 0 H THR A 9 -1.533 -0.643 -7.700 1.00 50.14 H new ATOM 0 HA THR A 9 -2.724 1.855 -8.778 1.00 43.31 H new ATOM 0 HB THR A 9 -0.693 1.990 -10.145 1.00 22.11 H new ATOM 0 HG1 THR A 9 -0.435 -0.554 -9.761 1.00 13.50 H new ATOM 0 HG21 THR A 9 1.008 2.428 -8.389 1.00 2.03 H new ATOM 0 HG22 THR A 9 -0.589 3.084 -7.957 1.00 2.03 H new ATOM 0 HG23 THR A 9 -0.013 1.577 -7.206 1.00 2.03 H new ATOM 146 N GLY A 10 -3.616 0.794 -10.893 1.00 31.31 N ATOM 147 CA GLY A 10 -4.077 0.244 -12.169 1.00 34.00 C ATOM 148 C GLY A 10 -3.009 0.402 -13.232 1.00 42.33 C ATOM 149 O GLY A 10 -2.861 -0.437 -14.132 1.00 3.23 O ATOM 0 H GLY A 10 -4.039 1.689 -10.646 1.00 31.31 H new ATOM 0 HA2 GLY A 10 -4.325 -0.810 -12.049 1.00 34.00 H new ATOM 0 HA3 GLY A 10 -4.989 0.752 -12.483 1.00 34.00 H new ATOM 153 N ASP A 11 -2.253 1.503 -13.091 1.00 72.41 N ATOM 154 CA ASP A 11 -1.106 1.825 -13.937 1.00 62.04 C ATOM 155 C ASP A 11 0.179 1.393 -13.209 1.00 52.04 C ATOM 156 O ASP A 11 0.579 2.004 -12.213 1.00 65.13 O ATOM 157 CB ASP A 11 -1.094 3.338 -14.254 1.00 42.00 C ATOM 158 CG ASP A 11 -0.119 3.696 -15.387 1.00 54.11 C ATOM 159 OD1 ASP A 11 -0.530 3.625 -16.564 1.00 4.55 O ATOM 160 OD2 ASP A 11 1.048 4.039 -15.112 1.00 53.14 O ATOM 0 H ASP A 11 -2.430 2.203 -12.371 1.00 72.41 H new ATOM 0 HA ASP A 11 -1.171 1.291 -14.885 1.00 62.04 H new ATOM 0 HB2 ASP A 11 -2.099 3.656 -14.531 1.00 42.00 H new ATOM 0 HB3 ASP A 11 -0.821 3.892 -13.356 1.00 42.00 H new ATOM 165 N GLU A 12 0.808 0.333 -13.723 1.00 12.32 N ATOM 166 CA GLU A 12 1.955 -0.347 -13.082 1.00 43.22 C ATOM 167 C GLU A 12 3.244 0.518 -13.148 1.00 24.00 C ATOM 168 O GLU A 12 4.138 0.381 -12.301 1.00 61.12 O ATOM 169 CB GLU A 12 2.152 -1.729 -13.758 1.00 23.11 C ATOM 170 CG GLU A 12 3.153 -2.671 -13.058 1.00 54.22 C ATOM 171 CD GLU A 12 3.258 -4.034 -13.759 1.00 73.44 C ATOM 172 OE1 GLU A 12 2.314 -4.844 -13.639 1.00 64.50 O ATOM 173 OE2 GLU A 12 4.272 -4.297 -14.448 1.00 53.23 O ATOM 0 H GLU A 12 0.536 -0.090 -14.611 1.00 12.32 H new ATOM 0 HA GLU A 12 1.744 -0.493 -12.023 1.00 43.22 H new ATOM 0 HB2 GLU A 12 1.185 -2.229 -13.812 1.00 23.11 H new ATOM 0 HB3 GLU A 12 2.486 -1.569 -14.783 1.00 23.11 H new ATOM 0 HG2 GLU A 12 4.136 -2.200 -13.034 1.00 54.22 H new ATOM 0 HG3 GLU A 12 2.846 -2.820 -12.023 1.00 54.22 H new ATOM 180 N ARG A 13 3.313 1.408 -14.163 1.00 42.40 N ATOM 181 CA ARG A 13 4.429 2.363 -14.357 1.00 50.24 C ATOM 182 C ARG A 13 4.556 3.301 -13.133 1.00 32.35 C ATOM 183 O ARG A 13 5.659 3.508 -12.602 1.00 11.40 O ATOM 184 CB ARG A 13 4.185 3.202 -15.645 1.00 4.02 C ATOM 185 CG ARG A 13 5.325 4.179 -16.019 1.00 34.44 C ATOM 186 CD ARG A 13 4.881 5.268 -17.018 1.00 55.32 C ATOM 187 NE ARG A 13 4.314 4.726 -18.269 1.00 12.03 N ATOM 188 CZ ARG A 13 3.936 5.461 -19.338 1.00 55.35 C ATOM 189 NH1 ARG A 13 4.060 6.790 -19.344 1.00 43.04 N ATOM 190 NH2 ARG A 13 3.411 4.856 -20.402 1.00 20.14 N ATOM 0 H ARG A 13 2.589 1.485 -14.878 1.00 42.40 H new ATOM 0 HA ARG A 13 5.357 1.802 -14.463 1.00 50.24 H new ATOM 0 HB2 ARG A 13 4.025 2.519 -16.479 1.00 4.02 H new ATOM 0 HB3 ARG A 13 3.265 3.773 -15.519 1.00 4.02 H new ATOM 0 HG2 ARG A 13 5.700 4.656 -15.113 1.00 34.44 H new ATOM 0 HG3 ARG A 13 6.153 3.615 -16.449 1.00 34.44 H new ATOM 0 HD2 ARG A 13 4.139 5.907 -16.540 1.00 55.32 H new ATOM 0 HD3 ARG A 13 5.737 5.898 -17.260 1.00 55.32 H new ATOM 0 HE ARG A 13 4.198 3.715 -18.331 1.00 12.03 H new ATOM 0 HH11 ARG A 13 4.446 7.270 -18.531 1.00 43.04 H new ATOM 0 HH12 ARG A 13 3.768 7.326 -20.162 1.00 43.04 H new ATOM 0 HH21 ARG A 13 3.296 3.843 -20.407 1.00 20.14 H new ATOM 0 HH22 ARG A 13 3.124 5.406 -21.212 1.00 20.14 H new ATOM 204 N ILE A 14 3.389 3.823 -12.692 1.00 3.30 N ATOM 205 CA ILE A 14 3.267 4.700 -11.514 1.00 24.31 C ATOM 206 C ILE A 14 3.817 4.005 -10.242 1.00 3.52 C ATOM 207 O ILE A 14 4.514 4.637 -9.450 1.00 23.31 O ATOM 208 CB ILE A 14 1.756 5.152 -11.301 1.00 20.51 C ATOM 209 CG1 ILE A 14 1.289 6.079 -12.474 1.00 0.41 C ATOM 210 CG2 ILE A 14 1.534 5.846 -9.934 1.00 54.32 C ATOM 211 CD1 ILE A 14 -0.142 6.599 -12.364 1.00 55.12 C ATOM 0 H ILE A 14 2.497 3.642 -13.152 1.00 3.30 H new ATOM 0 HA ILE A 14 3.868 5.591 -11.696 1.00 24.31 H new ATOM 0 HB ILE A 14 1.148 4.247 -11.301 1.00 20.51 H new ATOM 0 HG12 ILE A 14 1.965 6.932 -12.532 1.00 0.41 H new ATOM 0 HG13 ILE A 14 1.388 5.530 -13.410 1.00 0.41 H new ATOM 0 HG21 ILE A 14 0.487 6.135 -9.838 1.00 54.32 H new ATOM 0 HG22 ILE A 14 1.796 5.158 -9.130 1.00 54.32 H new ATOM 0 HG23 ILE A 14 2.163 6.734 -9.871 1.00 54.32 H new ATOM 0 HD11 ILE A 14 -0.367 7.230 -13.224 1.00 55.12 H new ATOM 0 HD12 ILE A 14 -0.834 5.757 -12.341 1.00 55.12 H new ATOM 0 HD13 ILE A 14 -0.248 7.181 -11.449 1.00 55.12 H new ATOM 223 N ALA A 15 3.544 2.689 -10.103 1.00 44.51 N ATOM 224 CA ALA A 15 3.958 1.892 -8.922 1.00 60.50 C ATOM 225 C ALA A 15 5.493 1.880 -8.706 1.00 23.15 C ATOM 226 O ALA A 15 5.960 1.890 -7.558 1.00 64.25 O ATOM 227 CB ALA A 15 3.428 0.456 -9.039 1.00 40.02 C ATOM 0 H ALA A 15 3.033 2.149 -10.802 1.00 44.51 H new ATOM 0 HA ALA A 15 3.522 2.376 -8.048 1.00 60.50 H new ATOM 0 HB1 ALA A 15 3.739 -0.119 -8.166 1.00 40.02 H new ATOM 0 HB2 ALA A 15 2.340 0.473 -9.094 1.00 40.02 H new ATOM 0 HB3 ALA A 15 3.829 -0.008 -9.940 1.00 40.02 H new ATOM 233 N GLU A 16 6.268 1.867 -9.817 1.00 43.22 N ATOM 234 CA GLU A 16 7.745 1.882 -9.761 1.00 35.14 C ATOM 235 C GLU A 16 8.254 3.266 -9.297 1.00 71.32 C ATOM 236 O GLU A 16 9.172 3.352 -8.482 1.00 44.10 O ATOM 237 CB GLU A 16 8.363 1.526 -11.141 1.00 41.41 C ATOM 238 CG GLU A 16 9.896 1.325 -11.100 1.00 52.15 C ATOM 239 CD GLU A 16 10.533 1.140 -12.484 1.00 32.43 C ATOM 240 OE1 GLU A 16 10.470 0.026 -13.042 1.00 30.42 O ATOM 241 OE2 GLU A 16 11.096 2.118 -13.026 1.00 43.10 O ATOM 0 H GLU A 16 5.891 1.846 -10.764 1.00 43.22 H new ATOM 0 HA GLU A 16 8.058 1.127 -9.040 1.00 35.14 H new ATOM 0 HB2 GLU A 16 7.895 0.615 -11.515 1.00 41.41 H new ATOM 0 HB3 GLU A 16 8.128 2.319 -11.851 1.00 41.41 H new ATOM 0 HG2 GLU A 16 10.353 2.186 -10.612 1.00 52.15 H new ATOM 0 HG3 GLU A 16 10.123 0.453 -10.486 1.00 52.15 H new ATOM 248 N GLU A 17 7.609 4.336 -9.808 1.00 3.03 N ATOM 249 CA GLU A 17 7.969 5.745 -9.501 1.00 64.14 C ATOM 250 C GLU A 17 7.691 6.080 -8.032 1.00 63.45 C ATOM 251 O GLU A 17 8.471 6.789 -7.381 1.00 32.43 O ATOM 252 CB GLU A 17 7.189 6.703 -10.439 1.00 11.34 C ATOM 253 CG GLU A 17 7.596 6.562 -11.914 1.00 1.42 C ATOM 254 CD GLU A 17 6.689 7.325 -12.887 1.00 53.41 C ATOM 255 OE1 GLU A 17 6.653 8.571 -12.829 1.00 42.33 O ATOM 256 OE2 GLU A 17 6.024 6.679 -13.731 1.00 24.34 O ATOM 0 H GLU A 17 6.820 4.251 -10.448 1.00 3.03 H new ATOM 0 HA GLU A 17 9.038 5.874 -9.671 1.00 64.14 H new ATOM 0 HB2 GLU A 17 6.121 6.508 -10.342 1.00 11.34 H new ATOM 0 HB3 GLU A 17 7.355 7.732 -10.119 1.00 11.34 H new ATOM 0 HG2 GLU A 17 8.620 6.917 -12.033 1.00 1.42 H new ATOM 0 HG3 GLU A 17 7.592 5.505 -12.182 1.00 1.42 H new ATOM 263 N LEU A 18 6.578 5.529 -7.526 1.00 10.53 N ATOM 264 CA LEU A 18 6.196 5.627 -6.116 1.00 52.23 C ATOM 265 C LEU A 18 7.214 4.891 -5.226 1.00 3.32 C ATOM 266 O LEU A 18 7.541 5.364 -4.137 1.00 3.12 O ATOM 267 CB LEU A 18 4.765 5.061 -5.905 1.00 1.14 C ATOM 268 CG LEU A 18 3.604 5.817 -6.629 1.00 32.51 C ATOM 269 CD1 LEU A 18 2.250 5.143 -6.334 1.00 31.12 C ATOM 270 CD2 LEU A 18 3.580 7.320 -6.266 1.00 4.22 C ATOM 0 H LEU A 18 5.915 4.999 -8.091 1.00 10.53 H new ATOM 0 HA LEU A 18 6.195 6.678 -5.828 1.00 52.23 H new ATOM 0 HB2 LEU A 18 4.756 4.023 -6.237 1.00 1.14 H new ATOM 0 HB3 LEU A 18 4.554 5.055 -4.836 1.00 1.14 H new ATOM 0 HG LEU A 18 3.787 5.756 -7.702 1.00 32.51 H new ATOM 0 HD11 LEU A 18 1.455 5.684 -6.847 1.00 31.12 H new ATOM 0 HD12 LEU A 18 2.273 4.112 -6.686 1.00 31.12 H new ATOM 0 HD13 LEU A 18 2.063 5.156 -5.260 1.00 31.12 H new ATOM 0 HD21 LEU A 18 2.758 7.808 -6.790 1.00 4.22 H new ATOM 0 HD22 LEU A 18 3.442 7.432 -5.191 1.00 4.22 H new ATOM 0 HD23 LEU A 18 4.523 7.781 -6.561 1.00 4.22 H new ATOM 282 N ARG A 19 7.738 3.747 -5.726 1.00 31.11 N ATOM 283 CA ARG A 19 8.742 2.943 -5.004 1.00 63.21 C ATOM 284 C ARG A 19 10.052 3.723 -4.825 1.00 55.44 C ATOM 285 O ARG A 19 10.591 3.773 -3.716 1.00 72.12 O ATOM 286 CB ARG A 19 9.020 1.601 -5.736 1.00 52.02 C ATOM 287 CG ARG A 19 9.959 0.665 -4.946 1.00 20.32 C ATOM 288 CD ARG A 19 10.289 -0.652 -5.664 1.00 11.44 C ATOM 289 NE ARG A 19 11.164 -1.497 -4.829 1.00 13.21 N ATOM 290 CZ ARG A 19 12.143 -2.306 -5.269 1.00 11.12 C ATOM 291 NH1 ARG A 19 12.426 -2.411 -6.570 1.00 53.24 N ATOM 292 NH2 ARG A 19 12.848 -3.001 -4.383 1.00 21.41 N ATOM 0 H ARG A 19 7.477 3.361 -6.634 1.00 31.11 H new ATOM 0 HA ARG A 19 8.332 2.722 -4.019 1.00 63.21 H new ATOM 0 HB2 ARG A 19 8.074 1.090 -5.917 1.00 52.02 H new ATOM 0 HB3 ARG A 19 9.461 1.810 -6.711 1.00 52.02 H new ATOM 0 HG2 ARG A 19 10.889 1.194 -4.737 1.00 20.32 H new ATOM 0 HG3 ARG A 19 9.500 0.436 -3.984 1.00 20.32 H new ATOM 0 HD2 ARG A 19 9.368 -1.188 -5.892 1.00 11.44 H new ATOM 0 HD3 ARG A 19 10.779 -0.441 -6.615 1.00 11.44 H new ATOM 0 HE ARG A 19 11.011 -1.464 -3.821 1.00 13.21 H new ATOM 0 HH11 ARG A 19 11.895 -1.871 -7.253 1.00 53.24 H new ATOM 0 HH12 ARG A 19 13.174 -3.031 -6.881 1.00 53.24 H new ATOM 0 HH21 ARG A 19 12.642 -2.916 -3.388 1.00 21.41 H new ATOM 0 HH22 ARG A 19 13.595 -3.620 -4.698 1.00 21.41 H new ATOM 306 N LYS A 20 10.522 4.351 -5.930 1.00 64.23 N ATOM 307 CA LYS A 20 11.738 5.198 -5.937 1.00 54.13 C ATOM 308 C LYS A 20 11.617 6.286 -4.867 1.00 4.41 C ATOM 309 O LYS A 20 12.532 6.508 -4.079 1.00 44.20 O ATOM 310 CB LYS A 20 11.928 5.892 -7.315 1.00 73.13 C ATOM 311 CG LYS A 20 11.933 4.951 -8.532 1.00 24.43 C ATOM 312 CD LYS A 20 11.987 5.726 -9.869 1.00 30.15 C ATOM 313 CE LYS A 20 11.777 4.826 -11.093 1.00 31.40 C ATOM 314 NZ LYS A 20 12.742 3.697 -11.151 1.00 22.24 N ATOM 0 H LYS A 20 10.068 4.284 -6.841 1.00 64.23 H new ATOM 0 HA LYS A 20 12.594 4.553 -5.736 1.00 54.13 H new ATOM 0 HB2 LYS A 20 11.132 6.625 -7.447 1.00 73.13 H new ATOM 0 HB3 LYS A 20 12.868 6.443 -7.299 1.00 73.13 H new ATOM 0 HG2 LYS A 20 12.790 4.281 -8.468 1.00 24.43 H new ATOM 0 HG3 LYS A 20 11.039 4.328 -8.511 1.00 24.43 H new ATOM 0 HD2 LYS A 20 11.224 6.504 -9.862 1.00 30.15 H new ATOM 0 HD3 LYS A 20 12.952 6.226 -9.954 1.00 30.15 H new ATOM 0 HE2 LYS A 20 10.762 4.430 -11.077 1.00 31.40 H new ATOM 0 HE3 LYS A 20 11.871 5.425 -11.999 1.00 31.40 H new ATOM 0 HZ1 LYS A 20 12.491 3.066 -11.939 1.00 22.24 H new ATOM 0 HZ2 LYS A 20 13.702 4.068 -11.297 1.00 22.24 H new ATOM 0 HZ3 LYS A 20 12.709 3.165 -10.258 1.00 22.24 H new ATOM 328 N GLU A 21 10.427 6.907 -4.844 1.00 70.53 N ATOM 329 CA GLU A 21 10.104 8.028 -3.963 1.00 52.13 C ATOM 330 C GLU A 21 10.186 7.631 -2.472 1.00 13.22 C ATOM 331 O GLU A 21 10.668 8.414 -1.649 1.00 33.02 O ATOM 332 CB GLU A 21 8.695 8.558 -4.318 1.00 31.34 C ATOM 333 CG GLU A 21 8.307 9.876 -3.624 1.00 64.21 C ATOM 334 CD GLU A 21 9.258 11.047 -3.959 1.00 15.40 C ATOM 335 OE1 GLU A 21 9.251 11.520 -5.114 1.00 42.24 O ATOM 336 OE2 GLU A 21 10.016 11.491 -3.075 1.00 10.23 O ATOM 0 H GLU A 21 9.653 6.635 -5.450 1.00 70.53 H new ATOM 0 HA GLU A 21 10.841 8.816 -4.117 1.00 52.13 H new ATOM 0 HB2 GLU A 21 8.637 8.701 -5.397 1.00 31.34 H new ATOM 0 HB3 GLU A 21 7.960 7.797 -4.058 1.00 31.34 H new ATOM 0 HG2 GLU A 21 7.292 10.147 -3.915 1.00 64.21 H new ATOM 0 HG3 GLU A 21 8.298 9.721 -2.545 1.00 64.21 H new ATOM 343 N VAL A 22 9.728 6.403 -2.152 1.00 10.14 N ATOM 344 CA VAL A 22 9.794 5.848 -0.786 1.00 15.32 C ATOM 345 C VAL A 22 11.259 5.608 -0.358 1.00 12.31 C ATOM 346 O VAL A 22 11.651 5.946 0.762 1.00 53.13 O ATOM 347 CB VAL A 22 8.997 4.494 -0.671 1.00 53.42 C ATOM 348 CG1 VAL A 22 9.141 3.879 0.731 1.00 20.31 C ATOM 349 CG2 VAL A 22 7.509 4.681 -1.019 1.00 54.15 C ATOM 0 H VAL A 22 9.304 5.771 -2.831 1.00 10.14 H new ATOM 0 HA VAL A 22 9.337 6.583 -0.124 1.00 15.32 H new ATOM 0 HB VAL A 22 9.431 3.806 -1.396 1.00 53.42 H new ATOM 0 HG11 VAL A 22 8.580 2.946 0.778 1.00 20.31 H new ATOM 0 HG12 VAL A 22 10.193 3.680 0.935 1.00 20.31 H new ATOM 0 HG13 VAL A 22 8.752 4.574 1.475 1.00 20.31 H new ATOM 0 HG21 VAL A 22 6.991 3.726 -0.929 1.00 54.15 H new ATOM 0 HG22 VAL A 22 7.063 5.402 -0.334 1.00 54.15 H new ATOM 0 HG23 VAL A 22 7.418 5.048 -2.041 1.00 54.15 H new ATOM 359 N GLN A 23 12.053 5.040 -1.279 1.00 61.44 N ATOM 360 CA GLN A 23 13.461 4.673 -1.019 1.00 34.11 C ATOM 361 C GLN A 23 14.343 5.930 -0.862 1.00 62.33 C ATOM 362 O GLN A 23 15.323 5.923 -0.109 1.00 21.23 O ATOM 363 CB GLN A 23 13.989 3.758 -2.160 1.00 34.21 C ATOM 364 CG GLN A 23 13.179 2.457 -2.351 1.00 41.44 C ATOM 365 CD GLN A 23 13.648 1.616 -3.545 1.00 13.12 C ATOM 366 OE1 GLN A 23 13.197 1.805 -4.676 1.00 1.10 O ATOM 367 NE2 GLN A 23 14.552 0.676 -3.303 1.00 55.42 N ATOM 0 H GLN A 23 11.741 4.821 -2.225 1.00 61.44 H new ATOM 0 HA GLN A 23 13.509 4.122 -0.080 1.00 34.11 H new ATOM 0 HB2 GLN A 23 13.980 4.319 -3.094 1.00 34.21 H new ATOM 0 HB3 GLN A 23 15.027 3.500 -1.953 1.00 34.21 H new ATOM 0 HG2 GLN A 23 13.250 1.857 -1.444 1.00 41.44 H new ATOM 0 HG3 GLN A 23 12.127 2.709 -2.485 1.00 41.44 H new ATOM 0 HE21 GLN A 23 14.908 0.542 -2.356 1.00 55.42 H new ATOM 0 HE22 GLN A 23 14.892 0.087 -4.063 1.00 55.42 H new ATOM 376 N LYS A 24 13.963 7.010 -1.569 1.00 31.41 N ATOM 377 CA LYS A 24 14.640 8.319 -1.481 1.00 35.02 C ATOM 378 C LYS A 24 14.149 9.101 -0.251 1.00 41.20 C ATOM 379 O LYS A 24 14.864 9.968 0.254 1.00 74.11 O ATOM 380 CB LYS A 24 14.410 9.133 -2.784 1.00 73.11 C ATOM 381 CG LYS A 24 15.000 8.460 -4.043 1.00 3.21 C ATOM 382 CD LYS A 24 14.658 9.212 -5.353 1.00 34.43 C ATOM 383 CE LYS A 24 15.158 8.462 -6.594 1.00 31.22 C ATOM 384 NZ LYS A 24 14.874 9.199 -7.856 1.00 32.53 N ATOM 0 H LYS A 24 13.177 7.001 -2.219 1.00 31.41 H new ATOM 0 HA LYS A 24 15.711 8.150 -1.367 1.00 35.02 H new ATOM 0 HB2 LYS A 24 13.339 9.279 -2.928 1.00 73.11 H new ATOM 0 HB3 LYS A 24 14.854 10.122 -2.668 1.00 73.11 H new ATOM 0 HG2 LYS A 24 16.083 8.397 -3.940 1.00 3.21 H new ATOM 0 HG3 LYS A 24 14.626 7.438 -4.110 1.00 3.21 H new ATOM 0 HD2 LYS A 24 13.579 9.348 -5.422 1.00 34.43 H new ATOM 0 HD3 LYS A 24 15.103 10.207 -5.327 1.00 34.43 H new ATOM 0 HE2 LYS A 24 16.232 8.297 -6.507 1.00 31.22 H new ATOM 0 HE3 LYS A 24 14.687 7.480 -6.636 1.00 31.22 H new ATOM 0 HZ1 LYS A 24 15.231 8.652 -8.665 1.00 32.53 H new ATOM 0 HZ2 LYS A 24 13.848 9.335 -7.955 1.00 32.53 H new ATOM 0 HZ3 LYS A 24 15.345 10.126 -7.830 1.00 32.53 H new ATOM 398 N HIS A 25 12.919 8.793 0.211 1.00 22.11 N ATOM 399 CA HIS A 25 12.346 9.370 1.449 1.00 1.41 C ATOM 400 C HIS A 25 13.082 8.794 2.675 1.00 44.21 C ATOM 401 O HIS A 25 13.460 9.542 3.587 1.00 74.23 O ATOM 402 CB HIS A 25 10.818 9.077 1.517 1.00 20.12 C ATOM 403 CG HIS A 25 10.077 9.709 2.680 1.00 53.24 C ATOM 404 ND1 HIS A 25 9.470 10.936 2.561 1.00 40.03 N ATOM 405 CD2 HIS A 25 9.845 9.233 3.931 1.00 50.42 C ATOM 406 CE1 HIS A 25 8.885 11.171 3.728 1.00 72.34 C ATOM 407 NE2 HIS A 25 9.087 10.166 4.586 1.00 30.12 N ATOM 0 H HIS A 25 12.295 8.139 -0.261 1.00 22.11 H new ATOM 0 HA HIS A 25 12.479 10.452 1.445 1.00 1.41 H new ATOM 0 HB2 HIS A 25 10.360 9.419 0.589 1.00 20.12 H new ATOM 0 HB3 HIS A 25 10.676 7.997 1.563 1.00 20.12 H new ATOM 0 HD2 HIS A 25 10.194 8.294 4.334 1.00 50.42 H new ATOM 0 HE1 HIS A 25 8.318 12.061 3.956 1.00 72.34 H new ATOM 0 HE2 HIS A 25 8.743 10.106 5.544 1.00 30.12 H new ATOM 415 N ASP A 26 13.310 7.464 2.652 1.00 65.34 N ATOM 416 CA ASP A 26 14.010 6.726 3.721 1.00 13.03 C ATOM 417 C ASP A 26 14.532 5.377 3.167 1.00 23.33 C ATOM 418 O ASP A 26 13.754 4.623 2.567 1.00 45.43 O ATOM 419 CB ASP A 26 13.063 6.479 4.927 1.00 40.54 C ATOM 420 CG ASP A 26 13.760 5.778 6.116 1.00 3.52 C ATOM 421 OD1 ASP A 26 14.526 6.450 6.840 1.00 24.04 O ATOM 422 OD2 ASP A 26 13.548 4.564 6.329 1.00 43.55 O ATOM 0 H ASP A 26 13.009 6.867 1.881 1.00 65.34 H new ATOM 0 HA ASP A 26 14.853 7.324 4.066 1.00 13.03 H new ATOM 0 HB2 ASP A 26 12.657 7.433 5.263 1.00 40.54 H new ATOM 0 HB3 ASP A 26 12.219 5.872 4.600 1.00 40.54 H new ATOM 427 N PRO A 27 15.849 5.035 3.372 1.00 31.02 N ATOM 428 CA PRO A 27 16.457 3.803 2.799 1.00 3.11 C ATOM 429 C PRO A 27 16.105 2.513 3.574 1.00 14.41 C ATOM 430 O PRO A 27 16.376 1.404 3.088 1.00 63.34 O ATOM 431 CB PRO A 27 17.970 4.106 2.894 1.00 52.32 C ATOM 432 CG PRO A 27 18.104 4.948 4.129 1.00 25.30 C ATOM 433 CD PRO A 27 16.858 5.817 4.165 1.00 11.20 C ATOM 0 HA PRO A 27 16.093 3.602 1.791 1.00 3.11 H new ATOM 0 HB2 PRO A 27 18.555 3.190 2.972 1.00 52.32 H new ATOM 0 HB3 PRO A 27 18.325 4.636 2.011 1.00 52.32 H new ATOM 0 HG2 PRO A 27 18.175 4.327 5.022 1.00 25.30 H new ATOM 0 HG3 PRO A 27 19.007 5.558 4.092 1.00 25.30 H new ATOM 0 HD2 PRO A 27 16.519 5.987 5.187 1.00 11.20 H new ATOM 0 HD3 PRO A 27 17.041 6.797 3.723 1.00 11.20 H new ATOM 441 N ASN A 28 15.528 2.662 4.778 1.00 23.14 N ATOM 442 CA ASN A 28 15.243 1.526 5.682 1.00 50.11 C ATOM 443 C ASN A 28 13.816 0.983 5.503 1.00 73.45 C ATOM 444 O ASN A 28 13.512 -0.112 6.003 1.00 63.53 O ATOM 445 CB ASN A 28 15.492 1.932 7.161 1.00 53.15 C ATOM 446 CG ASN A 28 16.965 2.190 7.493 1.00 24.42 C ATOM 447 OD1 ASN A 28 17.870 1.593 6.906 1.00 3.11 O ATOM 448 ND2 ASN A 28 17.221 3.065 8.451 1.00 44.52 N ATOM 0 H ASN A 28 15.246 3.567 5.154 1.00 23.14 H new ATOM 0 HA ASN A 28 15.928 0.721 5.415 1.00 50.11 H new ATOM 0 HB2 ASN A 28 14.917 2.831 7.383 1.00 53.15 H new ATOM 0 HB3 ASN A 28 15.115 1.144 7.813 1.00 53.15 H new ATOM 0 HD21 ASN A 28 18.186 3.259 8.720 1.00 44.52 H new ATOM 0 HD22 ASN A 28 16.454 3.546 8.921 1.00 44.52 H new ATOM 455 N VAL A 29 12.943 1.742 4.809 1.00 24.14 N ATOM 456 CA VAL A 29 11.568 1.290 4.504 1.00 63.23 C ATOM 457 C VAL A 29 11.597 0.067 3.561 1.00 52.11 C ATOM 458 O VAL A 29 12.351 0.053 2.582 1.00 65.23 O ATOM 459 CB VAL A 29 10.693 2.417 3.836 1.00 3.04 C ATOM 460 CG1 VAL A 29 9.251 1.915 3.567 1.00 54.32 C ATOM 461 CG2 VAL A 29 10.671 3.695 4.691 1.00 1.34 C ATOM 0 H VAL A 29 13.165 2.670 4.449 1.00 24.14 H new ATOM 0 HA VAL A 29 11.115 1.026 5.459 1.00 63.23 H new ATOM 0 HB VAL A 29 11.154 2.664 2.880 1.00 3.04 H new ATOM 0 HG11 VAL A 29 8.668 2.712 3.106 1.00 54.32 H new ATOM 0 HG12 VAL A 29 9.284 1.056 2.897 1.00 54.32 H new ATOM 0 HG13 VAL A 29 8.786 1.624 4.509 1.00 54.32 H new ATOM 0 HG21 VAL A 29 10.058 4.451 4.200 1.00 1.34 H new ATOM 0 HG22 VAL A 29 10.252 3.469 5.672 1.00 1.34 H new ATOM 0 HG23 VAL A 29 11.687 4.072 4.808 1.00 1.34 H new ATOM 471 N LYS A 30 10.764 -0.940 3.869 1.00 11.35 N ATOM 472 CA LYS A 30 10.577 -2.128 3.020 1.00 75.25 C ATOM 473 C LYS A 30 9.625 -1.788 1.861 1.00 14.33 C ATOM 474 O LYS A 30 8.687 -1.019 2.041 1.00 5.42 O ATOM 475 CB LYS A 30 10.009 -3.285 3.887 1.00 5.13 C ATOM 476 CG LYS A 30 11.000 -3.810 4.946 1.00 21.21 C ATOM 477 CD LYS A 30 12.185 -4.564 4.312 1.00 13.42 C ATOM 478 CE LYS A 30 11.778 -5.943 3.763 1.00 32.52 C ATOM 479 NZ LYS A 30 12.877 -6.574 2.986 1.00 35.14 N ATOM 0 H LYS A 30 10.199 -0.953 4.718 1.00 11.35 H new ATOM 0 HA LYS A 30 11.531 -2.443 2.596 1.00 75.25 H new ATOM 0 HB2 LYS A 30 9.104 -2.941 4.388 1.00 5.13 H new ATOM 0 HB3 LYS A 30 9.719 -4.108 3.234 1.00 5.13 H new ATOM 0 HG2 LYS A 30 11.377 -2.974 5.534 1.00 21.21 H new ATOM 0 HG3 LYS A 30 10.476 -4.473 5.634 1.00 21.21 H new ATOM 0 HD2 LYS A 30 12.604 -3.964 3.504 1.00 13.42 H new ATOM 0 HD3 LYS A 30 12.972 -4.690 5.056 1.00 13.42 H new ATOM 0 HE2 LYS A 30 11.497 -6.595 4.590 1.00 32.52 H new ATOM 0 HE3 LYS A 30 10.899 -5.836 3.128 1.00 32.52 H new ATOM 0 HZ1 LYS A 30 12.474 -7.210 2.269 1.00 35.14 H new ATOM 0 HZ2 LYS A 30 13.439 -5.835 2.517 1.00 35.14 H new ATOM 0 HZ3 LYS A 30 13.488 -7.118 3.628 1.00 35.14 H new ATOM 493 N THR A 31 9.886 -2.354 0.673 1.00 41.00 N ATOM 494 CA THR A 31 9.033 -2.137 -0.534 1.00 52.51 C ATOM 495 C THR A 31 8.946 -3.443 -1.346 1.00 64.32 C ATOM 496 O THR A 31 9.970 -3.973 -1.788 1.00 75.44 O ATOM 497 CB THR A 31 9.559 -0.974 -1.461 1.00 53.24 C ATOM 498 OG1 THR A 31 10.940 -1.185 -1.798 1.00 63.02 O ATOM 499 CG2 THR A 31 9.394 0.423 -0.830 1.00 61.41 C ATOM 0 H THR A 31 10.682 -2.970 0.509 1.00 41.00 H new ATOM 0 HA THR A 31 8.047 -1.839 -0.177 1.00 52.51 H new ATOM 0 HB THR A 31 8.945 -1.000 -2.361 1.00 53.24 H new ATOM 0 HG1 THR A 31 11.137 -2.145 -1.784 1.00 63.02 H new ATOM 0 HG21 THR A 31 9.774 1.180 -1.516 1.00 61.41 H new ATOM 0 HG22 THR A 31 8.339 0.610 -0.632 1.00 61.41 H new ATOM 0 HG23 THR A 31 9.952 0.468 0.105 1.00 61.41 H new ATOM 507 N VAL A 32 7.711 -3.952 -1.536 1.00 13.22 N ATOM 508 CA VAL A 32 7.457 -5.256 -2.186 1.00 42.04 C ATOM 509 C VAL A 32 6.573 -5.050 -3.434 1.00 71.41 C ATOM 510 O VAL A 32 5.517 -4.441 -3.317 1.00 1.35 O ATOM 511 CB VAL A 32 6.732 -6.247 -1.199 1.00 23.44 C ATOM 512 CG1 VAL A 32 6.702 -7.681 -1.763 1.00 40.31 C ATOM 513 CG2 VAL A 32 7.380 -6.216 0.192 1.00 74.04 C ATOM 0 H VAL A 32 6.861 -3.471 -1.243 1.00 13.22 H new ATOM 0 HA VAL A 32 8.417 -5.686 -2.473 1.00 42.04 H new ATOM 0 HB VAL A 32 5.700 -5.911 -1.096 1.00 23.44 H new ATOM 0 HG11 VAL A 32 6.195 -8.339 -1.057 1.00 40.31 H new ATOM 0 HG12 VAL A 32 6.168 -7.687 -2.713 1.00 40.31 H new ATOM 0 HG13 VAL A 32 7.722 -8.032 -1.918 1.00 40.31 H new ATOM 0 HG21 VAL A 32 6.859 -6.910 0.852 1.00 74.04 H new ATOM 0 HG22 VAL A 32 8.427 -6.508 0.112 1.00 74.04 H new ATOM 0 HG23 VAL A 32 7.315 -5.208 0.601 1.00 74.04 H new ATOM 523 N PRO A 33 6.992 -5.534 -4.647 1.00 50.43 N ATOM 524 CA PRO A 33 6.169 -5.422 -5.875 1.00 51.11 C ATOM 525 C PRO A 33 5.092 -6.531 -5.991 1.00 64.11 C ATOM 526 O PRO A 33 5.012 -7.437 -5.150 1.00 10.51 O ATOM 527 CB PRO A 33 7.228 -5.515 -7.023 1.00 64.22 C ATOM 528 CG PRO A 33 8.576 -5.701 -6.347 1.00 31.33 C ATOM 529 CD PRO A 33 8.284 -6.189 -4.948 1.00 55.23 C ATOM 0 HA PRO A 33 5.587 -4.501 -5.896 1.00 51.11 H new ATOM 0 HB2 PRO A 33 7.008 -6.350 -7.688 1.00 64.22 H new ATOM 0 HB3 PRO A 33 7.220 -4.612 -7.633 1.00 64.22 H new ATOM 0 HG2 PRO A 33 9.188 -6.421 -6.890 1.00 31.33 H new ATOM 0 HG3 PRO A 33 9.132 -4.764 -6.324 1.00 31.33 H new ATOM 0 HD2 PRO A 33 8.209 -7.276 -4.904 1.00 55.23 H new ATOM 0 HD3 PRO A 33 9.063 -5.895 -4.244 1.00 55.23 H new ATOM 537 N THR A 34 4.300 -6.440 -7.077 1.00 73.24 N ATOM 538 CA THR A 34 3.167 -7.352 -7.372 1.00 41.44 C ATOM 539 C THR A 34 3.637 -8.816 -7.529 1.00 65.15 C ATOM 540 O THR A 34 2.973 -9.755 -7.079 1.00 42.25 O ATOM 541 CB THR A 34 2.455 -6.902 -8.693 1.00 62.30 C ATOM 542 OG1 THR A 34 3.398 -6.952 -9.777 1.00 33.15 O ATOM 543 CG2 THR A 34 1.891 -5.474 -8.611 1.00 62.43 C ATOM 0 H THR A 34 4.428 -5.720 -7.788 1.00 73.24 H new ATOM 0 HA THR A 34 2.476 -7.301 -6.531 1.00 41.44 H new ATOM 0 HB THR A 34 1.620 -7.584 -8.853 1.00 62.30 H new ATOM 0 HG1 THR A 34 2.958 -6.673 -10.607 1.00 33.15 H new ATOM 0 HG21 THR A 34 1.410 -5.218 -9.555 1.00 62.43 H new ATOM 0 HG22 THR A 34 1.160 -5.417 -7.804 1.00 62.43 H new ATOM 0 HG23 THR A 34 2.702 -4.773 -8.416 1.00 62.43 H new ATOM 551 N LYS A 35 4.793 -8.963 -8.202 1.00 64.03 N ATOM 552 CA LYS A 35 5.448 -10.261 -8.470 1.00 33.41 C ATOM 553 C LYS A 35 5.742 -11.039 -7.169 1.00 72.15 C ATOM 554 O LYS A 35 5.610 -12.265 -7.126 1.00 14.40 O ATOM 555 CB LYS A 35 6.762 -10.025 -9.279 1.00 11.34 C ATOM 556 CG LYS A 35 7.671 -8.925 -8.678 1.00 74.14 C ATOM 557 CD LYS A 35 9.065 -8.824 -9.338 1.00 71.04 C ATOM 558 CE LYS A 35 9.948 -10.059 -9.084 1.00 42.11 C ATOM 559 NZ LYS A 35 11.310 -9.885 -9.664 1.00 24.34 N ATOM 0 H LYS A 35 5.309 -8.170 -8.583 1.00 64.03 H new ATOM 0 HA LYS A 35 4.763 -10.872 -9.058 1.00 33.41 H new ATOM 0 HB2 LYS A 35 7.321 -10.959 -9.329 1.00 11.34 H new ATOM 0 HB3 LYS A 35 6.505 -9.753 -10.303 1.00 11.34 H new ATOM 0 HG2 LYS A 35 7.167 -7.963 -8.770 1.00 74.14 H new ATOM 0 HG3 LYS A 35 7.799 -9.117 -7.613 1.00 74.14 H new ATOM 0 HD2 LYS A 35 8.942 -8.688 -10.413 1.00 71.04 H new ATOM 0 HD3 LYS A 35 9.575 -7.937 -8.961 1.00 71.04 H new ATOM 0 HE2 LYS A 35 10.028 -10.236 -8.011 1.00 42.11 H new ATOM 0 HE3 LYS A 35 9.476 -10.940 -9.518 1.00 42.11 H new ATOM 0 HZ1 LYS A 35 11.879 -10.735 -9.475 1.00 24.34 H new ATOM 0 HZ2 LYS A 35 11.234 -9.740 -10.691 1.00 24.34 H new ATOM 0 HZ3 LYS A 35 11.769 -9.058 -9.231 1.00 24.34 H new ATOM 573 N ASP A 36 6.115 -10.310 -6.106 1.00 24.20 N ATOM 574 CA ASP A 36 6.467 -10.901 -4.803 1.00 1.44 C ATOM 575 C ASP A 36 5.244 -10.957 -3.853 1.00 52.05 C ATOM 576 O ASP A 36 5.410 -10.825 -2.642 1.00 32.30 O ATOM 577 CB ASP A 36 7.638 -10.099 -4.155 1.00 34.42 C ATOM 578 CG ASP A 36 8.980 -10.265 -4.876 1.00 64.30 C ATOM 579 OD1 ASP A 36 9.728 -11.211 -4.549 1.00 64.30 O ATOM 580 OD2 ASP A 36 9.293 -9.451 -5.766 1.00 20.21 O ATOM 0 H ASP A 36 6.182 -9.292 -6.124 1.00 24.20 H new ATOM 0 HA ASP A 36 6.791 -11.928 -4.971 1.00 1.44 H new ATOM 0 HB2 ASP A 36 7.375 -9.041 -4.138 1.00 34.42 H new ATOM 0 HB3 ASP A 36 7.752 -10.416 -3.118 1.00 34.42 H new ATOM 585 N LYS A 37 4.033 -11.222 -4.411 1.00 31.24 N ATOM 586 CA LYS A 37 2.755 -11.287 -3.641 1.00 54.24 C ATOM 587 C LYS A 37 2.841 -12.307 -2.481 1.00 52.44 C ATOM 588 O LYS A 37 2.372 -12.039 -1.361 1.00 31.52 O ATOM 589 CB LYS A 37 1.551 -11.613 -4.597 1.00 51.01 C ATOM 590 CG LYS A 37 0.120 -11.562 -3.953 1.00 20.42 C ATOM 591 CD LYS A 37 -0.281 -12.871 -3.205 1.00 53.02 C ATOM 592 CE LYS A 37 -1.567 -12.757 -2.369 1.00 12.12 C ATOM 593 NZ LYS A 37 -1.835 -14.003 -1.594 1.00 12.14 N ATOM 0 H LYS A 37 3.912 -11.397 -5.409 1.00 31.24 H new ATOM 0 HA LYS A 37 2.582 -10.307 -3.196 1.00 54.24 H new ATOM 0 HB2 LYS A 37 1.576 -10.912 -5.431 1.00 51.01 H new ATOM 0 HB3 LYS A 37 1.704 -12.609 -5.013 1.00 51.01 H new ATOM 0 HG2 LYS A 37 0.076 -10.727 -3.254 1.00 20.42 H new ATOM 0 HG3 LYS A 37 -0.613 -11.362 -4.735 1.00 20.42 H new ATOM 0 HD2 LYS A 37 -0.407 -13.669 -3.937 1.00 53.02 H new ATOM 0 HD3 LYS A 37 0.539 -13.166 -2.550 1.00 53.02 H new ATOM 0 HE2 LYS A 37 -1.482 -11.914 -1.684 1.00 12.12 H new ATOM 0 HE3 LYS A 37 -2.411 -12.549 -3.027 1.00 12.12 H new ATOM 0 HZ1 LYS A 37 -2.710 -13.888 -1.043 1.00 12.14 H new ATOM 0 HZ2 LYS A 37 -1.941 -14.803 -2.249 1.00 12.14 H new ATOM 0 HZ3 LYS A 37 -1.041 -14.188 -0.948 1.00 12.14 H new ATOM 607 N GLU A 38 3.454 -13.462 -2.763 1.00 61.14 N ATOM 608 CA GLU A 38 3.566 -14.581 -1.811 1.00 24.12 C ATOM 609 C GLU A 38 4.545 -14.199 -0.701 1.00 42.33 C ATOM 610 O GLU A 38 4.374 -14.560 0.467 1.00 23.10 O ATOM 611 CB GLU A 38 4.086 -15.842 -2.551 1.00 65.45 C ATOM 612 CG GLU A 38 3.270 -16.223 -3.806 1.00 11.40 C ATOM 613 CD GLU A 38 3.887 -17.392 -4.588 1.00 63.43 C ATOM 614 OE1 GLU A 38 4.913 -17.177 -5.277 1.00 1.44 O ATOM 615 OE2 GLU A 38 3.369 -18.532 -4.511 1.00 62.45 O ATOM 0 H GLU A 38 3.891 -13.651 -3.665 1.00 61.14 H new ATOM 0 HA GLU A 38 2.588 -14.795 -1.380 1.00 24.12 H new ATOM 0 HB2 GLU A 38 5.123 -15.676 -2.843 1.00 65.45 H new ATOM 0 HB3 GLU A 38 4.080 -16.684 -1.859 1.00 65.45 H new ATOM 0 HG2 GLU A 38 2.256 -16.488 -3.507 1.00 11.40 H new ATOM 0 HG3 GLU A 38 3.193 -15.355 -4.461 1.00 11.40 H new ATOM 622 N LYS A 39 5.561 -13.431 -1.115 1.00 43.51 N ATOM 623 CA LYS A 39 6.677 -13.029 -0.272 1.00 54.05 C ATOM 624 C LYS A 39 6.328 -11.785 0.570 1.00 10.31 C ATOM 625 O LYS A 39 7.040 -11.485 1.522 1.00 23.45 O ATOM 626 CB LYS A 39 7.928 -12.770 -1.166 1.00 11.31 C ATOM 627 CG LYS A 39 9.260 -12.858 -0.409 1.00 42.22 C ATOM 628 CD LYS A 39 10.479 -12.421 -1.262 1.00 65.40 C ATOM 629 CE LYS A 39 11.801 -12.458 -0.474 1.00 61.30 C ATOM 630 NZ LYS A 39 12.966 -12.040 -1.303 1.00 63.52 N ATOM 0 H LYS A 39 5.625 -13.068 -2.066 1.00 43.51 H new ATOM 0 HA LYS A 39 6.898 -13.834 0.429 1.00 54.05 H new ATOM 0 HB2 LYS A 39 7.936 -13.493 -1.982 1.00 11.31 H new ATOM 0 HB3 LYS A 39 7.842 -11.782 -1.617 1.00 11.31 H new ATOM 0 HG2 LYS A 39 9.206 -12.233 0.482 1.00 42.22 H new ATOM 0 HG3 LYS A 39 9.411 -13.883 -0.070 1.00 42.22 H new ATOM 0 HD2 LYS A 39 10.561 -13.073 -2.132 1.00 65.40 H new ATOM 0 HD3 LYS A 39 10.312 -11.411 -1.636 1.00 65.40 H new ATOM 0 HE2 LYS A 39 11.722 -11.803 0.394 1.00 61.30 H new ATOM 0 HE3 LYS A 39 11.969 -13.467 -0.098 1.00 61.30 H new ATOM 0 HZ1 LYS A 39 13.833 -12.081 -0.730 1.00 63.52 H new ATOM 0 HZ2 LYS A 39 13.059 -12.679 -2.118 1.00 63.52 H new ATOM 0 HZ3 LYS A 39 12.820 -11.067 -1.641 1.00 63.52 H new ATOM 644 N VAL A 40 5.214 -11.089 0.224 1.00 2.05 N ATOM 645 CA VAL A 40 4.764 -9.866 0.929 1.00 40.45 C ATOM 646 C VAL A 40 4.641 -10.105 2.442 1.00 13.22 C ATOM 647 O VAL A 40 5.247 -9.385 3.237 1.00 42.14 O ATOM 648 CB VAL A 40 3.371 -9.345 0.395 1.00 54.52 C ATOM 649 CG1 VAL A 40 2.837 -8.209 1.281 1.00 52.23 C ATOM 650 CG2 VAL A 40 3.441 -8.879 -1.076 1.00 51.04 C ATOM 0 H VAL A 40 4.606 -11.361 -0.549 1.00 2.05 H new ATOM 0 HA VAL A 40 5.526 -9.112 0.731 1.00 40.45 H new ATOM 0 HB VAL A 40 2.683 -10.189 0.440 1.00 54.52 H new ATOM 0 HG11 VAL A 40 1.877 -7.866 0.894 1.00 52.23 H new ATOM 0 HG12 VAL A 40 2.708 -8.573 2.301 1.00 52.23 H new ATOM 0 HG13 VAL A 40 3.546 -7.381 1.278 1.00 52.23 H new ATOM 0 HG21 VAL A 40 2.458 -8.531 -1.394 1.00 51.04 H new ATOM 0 HG22 VAL A 40 4.161 -8.066 -1.166 1.00 51.04 H new ATOM 0 HG23 VAL A 40 3.753 -9.711 -1.707 1.00 51.04 H new ATOM 660 N LYS A 41 3.881 -11.148 2.804 1.00 35.43 N ATOM 661 CA LYS A 41 3.591 -11.505 4.203 1.00 3.13 C ATOM 662 C LYS A 41 4.886 -11.817 4.989 1.00 1.34 C ATOM 663 O LYS A 41 4.969 -11.572 6.199 1.00 4.42 O ATOM 664 CB LYS A 41 2.600 -12.692 4.244 1.00 24.31 C ATOM 665 CG LYS A 41 3.107 -13.985 3.562 1.00 40.02 C ATOM 666 CD LYS A 41 2.041 -15.108 3.527 1.00 62.02 C ATOM 667 CE LYS A 41 1.510 -15.484 4.926 1.00 15.42 C ATOM 668 NZ LYS A 41 0.528 -16.608 4.872 1.00 63.01 N ATOM 0 H LYS A 41 3.445 -11.775 2.128 1.00 35.43 H new ATOM 0 HA LYS A 41 3.127 -10.649 4.692 1.00 3.13 H new ATOM 0 HB2 LYS A 41 2.365 -12.915 5.285 1.00 24.31 H new ATOM 0 HB3 LYS A 41 1.669 -12.387 3.766 1.00 24.31 H new ATOM 0 HG2 LYS A 41 3.417 -13.754 2.543 1.00 40.02 H new ATOM 0 HG3 LYS A 41 3.990 -14.346 4.090 1.00 40.02 H new ATOM 0 HD2 LYS A 41 1.207 -14.789 2.902 1.00 62.02 H new ATOM 0 HD3 LYS A 41 2.470 -15.993 3.058 1.00 62.02 H new ATOM 0 HE2 LYS A 41 2.346 -15.764 5.567 1.00 15.42 H new ATOM 0 HE3 LYS A 41 1.038 -14.613 5.380 1.00 15.42 H new ATOM 0 HZ1 LYS A 41 0.198 -16.827 5.834 1.00 63.01 H new ATOM 0 HZ2 LYS A 41 -0.283 -16.333 4.282 1.00 63.01 H new ATOM 0 HZ3 LYS A 41 0.984 -17.448 4.463 1.00 63.01 H new ATOM 682 N GLU A 42 5.889 -12.335 4.265 1.00 61.33 N ATOM 683 CA GLU A 42 7.219 -12.609 4.813 1.00 20.21 C ATOM 684 C GLU A 42 7.947 -11.292 5.140 1.00 54.12 C ATOM 685 O GLU A 42 8.502 -11.140 6.225 1.00 34.13 O ATOM 686 CB GLU A 42 8.046 -13.454 3.811 1.00 2.00 C ATOM 687 CG GLU A 42 7.358 -14.756 3.359 1.00 54.12 C ATOM 688 CD GLU A 42 7.023 -15.695 4.528 1.00 10.33 C ATOM 689 OE1 GLU A 42 7.963 -16.256 5.133 1.00 51.25 O ATOM 690 OE2 GLU A 42 5.826 -15.871 4.863 1.00 13.00 O ATOM 0 H GLU A 42 5.796 -12.576 3.278 1.00 61.33 H new ATOM 0 HA GLU A 42 7.107 -13.177 5.737 1.00 20.21 H new ATOM 0 HB2 GLU A 42 8.260 -12.846 2.932 1.00 2.00 H new ATOM 0 HB3 GLU A 42 9.004 -13.703 4.268 1.00 2.00 H new ATOM 0 HG2 GLU A 42 6.441 -14.509 2.824 1.00 54.12 H new ATOM 0 HG3 GLU A 42 8.007 -15.278 2.655 1.00 54.12 H new ATOM 697 N GLU A 43 7.896 -10.338 4.194 1.00 51.24 N ATOM 698 CA GLU A 43 8.555 -9.021 4.316 1.00 65.51 C ATOM 699 C GLU A 43 7.903 -8.167 5.439 1.00 34.45 C ATOM 700 O GLU A 43 8.593 -7.388 6.112 1.00 21.42 O ATOM 701 CB GLU A 43 8.481 -8.273 2.960 1.00 23.02 C ATOM 702 CG GLU A 43 9.038 -9.042 1.737 1.00 15.02 C ATOM 703 CD GLU A 43 10.570 -9.129 1.680 1.00 54.24 C ATOM 704 OE1 GLU A 43 11.208 -8.152 1.265 1.00 73.33 O ATOM 705 OE2 GLU A 43 11.141 -10.170 2.024 1.00 43.35 O ATOM 0 H GLU A 43 7.393 -10.458 3.315 1.00 51.24 H new ATOM 0 HA GLU A 43 9.599 -9.182 4.584 1.00 65.51 H new ATOM 0 HB2 GLU A 43 7.440 -8.019 2.763 1.00 23.02 H new ATOM 0 HB3 GLU A 43 9.026 -7.334 3.054 1.00 23.02 H new ATOM 0 HG2 GLU A 43 8.630 -10.053 1.743 1.00 15.02 H new ATOM 0 HG3 GLU A 43 8.681 -8.559 0.827 1.00 15.02 H new ATOM 712 N ILE A 44 6.567 -8.339 5.618 1.00 31.02 N ATOM 713 CA ILE A 44 5.765 -7.673 6.676 1.00 31.12 C ATOM 714 C ILE A 44 6.302 -8.033 8.085 1.00 64.02 C ATOM 715 O ILE A 44 6.367 -7.175 8.979 1.00 60.34 O ATOM 716 CB ILE A 44 4.228 -8.077 6.558 1.00 2.04 C ATOM 717 CG1 ILE A 44 3.581 -7.486 5.261 1.00 75.42 C ATOM 718 CG2 ILE A 44 3.409 -7.667 7.812 1.00 4.21 C ATOM 719 CD1 ILE A 44 2.118 -7.853 5.047 1.00 45.53 C ATOM 0 H ILE A 44 6.010 -8.953 5.023 1.00 31.02 H new ATOM 0 HA ILE A 44 5.855 -6.596 6.535 1.00 31.12 H new ATOM 0 HB ILE A 44 4.199 -9.165 6.494 1.00 2.04 H new ATOM 0 HG12 ILE A 44 3.667 -6.400 5.293 1.00 75.42 H new ATOM 0 HG13 ILE A 44 4.155 -7.826 4.399 1.00 75.42 H new ATOM 0 HG21 ILE A 44 2.369 -7.965 7.681 1.00 4.21 H new ATOM 0 HG22 ILE A 44 3.820 -8.161 8.692 1.00 4.21 H new ATOM 0 HG23 ILE A 44 3.463 -6.586 7.945 1.00 4.21 H new ATOM 0 HD11 ILE A 44 1.760 -7.397 4.124 1.00 45.53 H new ATOM 0 HD12 ILE A 44 2.021 -8.936 4.978 1.00 45.53 H new ATOM 0 HD13 ILE A 44 1.525 -7.488 5.886 1.00 45.53 H new ATOM 731 N GLU A 45 6.715 -9.306 8.229 1.00 72.05 N ATOM 732 CA GLU A 45 7.156 -9.902 9.500 1.00 22.42 C ATOM 733 C GLU A 45 8.334 -9.106 10.120 1.00 23.14 C ATOM 734 O GLU A 45 8.265 -8.672 11.282 1.00 51.40 O ATOM 735 CB GLU A 45 7.519 -11.398 9.221 1.00 22.23 C ATOM 736 CG GLU A 45 7.784 -12.315 10.448 1.00 74.22 C ATOM 737 CD GLU A 45 9.113 -12.056 11.195 1.00 22.52 C ATOM 738 OE1 GLU A 45 10.192 -12.235 10.582 1.00 43.33 O ATOM 739 OE2 GLU A 45 9.079 -11.678 12.389 1.00 54.55 O ATOM 0 H GLU A 45 6.751 -9.961 7.448 1.00 72.05 H new ATOM 0 HA GLU A 45 6.358 -9.858 10.241 1.00 22.42 H new ATOM 0 HB2 GLU A 45 6.707 -11.838 8.642 1.00 22.23 H new ATOM 0 HB3 GLU A 45 8.408 -11.416 8.590 1.00 22.23 H new ATOM 0 HG2 GLU A 45 6.961 -12.196 11.153 1.00 74.22 H new ATOM 0 HG3 GLU A 45 7.771 -13.353 10.114 1.00 74.22 H new ATOM 746 N LYS A 46 9.405 -8.902 9.330 1.00 51.14 N ATOM 747 CA LYS A 46 10.608 -8.164 9.788 1.00 21.31 C ATOM 748 C LYS A 46 10.395 -6.649 9.805 1.00 4.45 C ATOM 749 O LYS A 46 10.949 -5.979 10.681 1.00 11.30 O ATOM 750 CB LYS A 46 11.921 -8.537 9.025 1.00 1.01 C ATOM 751 CG LYS A 46 11.892 -8.507 7.478 1.00 50.01 C ATOM 752 CD LYS A 46 11.210 -9.749 6.857 1.00 22.50 C ATOM 753 CE LYS A 46 11.813 -11.088 7.336 1.00 34.22 C ATOM 754 NZ LYS A 46 10.950 -12.245 6.979 1.00 32.04 N ATOM 0 H LYS A 46 9.466 -9.237 8.369 1.00 51.14 H new ATOM 0 HA LYS A 46 10.752 -8.497 10.816 1.00 21.31 H new ATOM 0 HB2 LYS A 46 12.706 -7.858 9.358 1.00 1.01 H new ATOM 0 HB3 LYS A 46 12.215 -9.540 9.335 1.00 1.01 H new ATOM 0 HG2 LYS A 46 11.368 -7.610 7.148 1.00 50.01 H new ATOM 0 HG3 LYS A 46 12.913 -8.436 7.103 1.00 50.01 H new ATOM 0 HD2 LYS A 46 10.148 -9.730 7.101 1.00 22.50 H new ATOM 0 HD3 LYS A 46 11.289 -9.692 5.771 1.00 22.50 H new ATOM 0 HE2 LYS A 46 12.800 -11.221 6.892 1.00 34.22 H new ATOM 0 HE3 LYS A 46 11.951 -11.058 8.417 1.00 34.22 H new ATOM 0 HZ1 LYS A 46 10.894 -12.898 7.786 1.00 32.04 H new ATOM 0 HZ2 LYS A 46 9.996 -11.906 6.741 1.00 32.04 H new ATOM 0 HZ3 LYS A 46 11.356 -12.741 6.160 1.00 32.04 H new ATOM 768 N ALA A 47 9.589 -6.117 8.854 1.00 42.40 N ATOM 769 CA ALA A 47 9.278 -4.666 8.785 1.00 54.44 C ATOM 770 C ALA A 47 8.685 -4.169 10.118 1.00 34.13 C ATOM 771 O ALA A 47 9.044 -3.109 10.619 1.00 14.25 O ATOM 772 CB ALA A 47 8.311 -4.376 7.624 1.00 61.23 C ATOM 0 H ALA A 47 9.142 -6.671 8.123 1.00 42.40 H new ATOM 0 HA ALA A 47 10.208 -4.127 8.604 1.00 54.44 H new ATOM 0 HB1 ALA A 47 8.094 -3.308 7.589 1.00 61.23 H new ATOM 0 HB2 ALA A 47 8.768 -4.685 6.684 1.00 61.23 H new ATOM 0 HB3 ALA A 47 7.384 -4.929 7.776 1.00 61.23 H new ATOM 778 N ARG A 48 7.822 -5.016 10.687 1.00 54.34 N ATOM 779 CA ARG A 48 7.131 -4.781 11.966 1.00 61.35 C ATOM 780 C ARG A 48 8.112 -4.600 13.155 1.00 42.33 C ATOM 781 O ARG A 48 8.054 -3.587 13.866 1.00 73.32 O ATOM 782 CB ARG A 48 6.198 -5.998 12.199 1.00 25.32 C ATOM 783 CG ARG A 48 5.504 -6.083 13.573 1.00 44.33 C ATOM 784 CD ARG A 48 4.664 -7.366 13.703 1.00 54.43 C ATOM 785 NE ARG A 48 5.471 -8.588 13.493 1.00 62.44 N ATOM 786 CZ ARG A 48 5.112 -9.650 12.748 1.00 63.01 C ATOM 787 NH1 ARG A 48 3.952 -9.666 12.104 1.00 21.32 N ATOM 788 NH2 ARG A 48 5.922 -10.696 12.658 1.00 2.24 N ATOM 0 H ARG A 48 7.575 -5.910 10.262 1.00 54.34 H new ATOM 0 HA ARG A 48 6.568 -3.849 11.912 1.00 61.35 H new ATOM 0 HB2 ARG A 48 5.427 -5.989 11.428 1.00 25.32 H new ATOM 0 HB3 ARG A 48 6.782 -6.907 12.055 1.00 25.32 H new ATOM 0 HG2 ARG A 48 6.255 -6.057 14.363 1.00 44.33 H new ATOM 0 HG3 ARG A 48 4.864 -5.212 13.713 1.00 44.33 H new ATOM 0 HD2 ARG A 48 4.207 -7.400 14.692 1.00 54.43 H new ATOM 0 HD3 ARG A 48 3.851 -7.341 12.977 1.00 54.43 H new ATOM 0 HE ARG A 48 6.380 -8.629 13.954 1.00 62.44 H new ATOM 0 HH11 ARG A 48 3.321 -8.867 12.170 1.00 21.32 H new ATOM 0 HH12 ARG A 48 3.691 -10.477 11.543 1.00 21.32 H new ATOM 0 HH21 ARG A 48 6.814 -10.694 13.153 1.00 2.24 H new ATOM 0 HH22 ARG A 48 5.653 -11.502 12.094 1.00 2.24 H new ATOM 802 N LYS A 49 9.027 -5.575 13.339 1.00 21.35 N ATOM 803 CA LYS A 49 9.979 -5.588 14.487 1.00 14.45 C ATOM 804 C LYS A 49 11.158 -4.617 14.290 1.00 41.23 C ATOM 805 O LYS A 49 11.856 -4.273 15.250 1.00 13.31 O ATOM 806 CB LYS A 49 10.480 -7.023 14.772 1.00 51.25 C ATOM 807 CG LYS A 49 11.137 -7.747 13.576 1.00 62.05 C ATOM 808 CD LYS A 49 11.588 -9.179 13.947 1.00 12.53 C ATOM 809 CE LYS A 49 11.979 -10.029 12.733 1.00 55.21 C ATOM 810 NZ LYS A 49 13.201 -9.538 12.053 1.00 64.53 N ATOM 0 H LYS A 49 9.132 -6.370 12.708 1.00 21.35 H new ATOM 0 HA LYS A 49 9.428 -5.235 15.359 1.00 14.45 H new ATOM 0 HB2 LYS A 49 11.200 -6.982 15.590 1.00 51.25 H new ATOM 0 HB3 LYS A 49 9.637 -7.621 15.118 1.00 51.25 H new ATOM 0 HG2 LYS A 49 10.431 -7.792 12.746 1.00 62.05 H new ATOM 0 HG3 LYS A 49 11.997 -7.173 13.232 1.00 62.05 H new ATOM 0 HD2 LYS A 49 12.437 -9.119 14.628 1.00 12.53 H new ATOM 0 HD3 LYS A 49 10.782 -9.677 14.486 1.00 12.53 H new ATOM 0 HE2 LYS A 49 12.137 -11.059 13.053 1.00 55.21 H new ATOM 0 HE3 LYS A 49 11.153 -10.039 12.022 1.00 55.21 H new ATOM 0 HZ1 LYS A 49 13.416 -10.151 11.241 1.00 64.53 H new ATOM 0 HZ2 LYS A 49 13.046 -8.565 11.721 1.00 64.53 H new ATOM 0 HZ3 LYS A 49 13.999 -9.553 12.720 1.00 64.53 H new ATOM 824 N GLN A 50 11.380 -4.187 13.039 1.00 73.41 N ATOM 825 CA GLN A 50 12.399 -3.171 12.704 1.00 72.41 C ATOM 826 C GLN A 50 11.810 -1.750 12.784 1.00 63.31 C ATOM 827 O GLN A 50 12.517 -0.770 12.497 1.00 32.21 O ATOM 828 CB GLN A 50 12.989 -3.473 11.299 1.00 14.03 C ATOM 829 CG GLN A 50 13.831 -4.766 11.238 1.00 65.04 C ATOM 830 CD GLN A 50 15.136 -4.671 12.027 1.00 21.40 C ATOM 831 OE1 GLN A 50 16.178 -4.282 11.493 1.00 3.45 O ATOM 832 NE2 GLN A 50 15.090 -4.988 13.308 1.00 21.31 N ATOM 0 H GLN A 50 10.862 -4.530 12.230 1.00 73.41 H new ATOM 0 HA GLN A 50 13.207 -3.218 13.434 1.00 72.41 H new ATOM 0 HB2 GLN A 50 12.172 -3.549 10.581 1.00 14.03 H new ATOM 0 HB3 GLN A 50 13.609 -2.632 10.988 1.00 14.03 H new ATOM 0 HG2 GLN A 50 13.240 -5.596 11.625 1.00 65.04 H new ATOM 0 HG3 GLN A 50 14.059 -4.995 10.197 1.00 65.04 H new ATOM 0 HE21 GLN A 50 14.215 -5.307 13.723 1.00 21.31 H new ATOM 0 HE22 GLN A 50 15.930 -4.914 13.882 1.00 21.31 H new ATOM 841 N GLY A 51 10.517 -1.647 13.189 1.00 73.11 N ATOM 842 CA GLY A 51 9.834 -0.358 13.371 1.00 11.23 C ATOM 843 C GLY A 51 9.705 0.435 12.081 1.00 13.43 C ATOM 844 O GLY A 51 9.732 1.669 12.087 1.00 63.23 O ATOM 0 H GLY A 51 9.930 -2.455 13.395 1.00 73.11 H new ATOM 0 HA2 GLY A 51 8.840 -0.535 13.783 1.00 11.23 H new ATOM 0 HA3 GLY A 51 10.381 0.236 14.103 1.00 11.23 H new ATOM 848 N ARG A 52 9.584 -0.290 10.974 1.00 54.25 N ATOM 849 CA ARG A 52 9.556 0.274 9.620 1.00 44.42 C ATOM 850 C ARG A 52 8.162 0.120 9.001 1.00 53.13 C ATOM 851 O ARG A 52 7.407 -0.795 9.374 1.00 2.33 O ATOM 852 CB ARG A 52 10.608 -0.446 8.723 1.00 23.42 C ATOM 853 CG ARG A 52 12.077 -0.281 9.166 1.00 71.21 C ATOM 854 CD ARG A 52 12.598 1.169 9.080 1.00 44.11 C ATOM 855 NE ARG A 52 12.061 2.057 10.128 1.00 52.43 N ATOM 856 CZ ARG A 52 12.059 3.402 10.080 1.00 51.30 C ATOM 857 NH1 ARG A 52 12.549 4.056 9.025 1.00 13.04 N ATOM 858 NH2 ARG A 52 11.551 4.091 11.099 1.00 32.11 N ATOM 0 H ARG A 52 9.501 -1.306 10.988 1.00 54.25 H new ATOM 0 HA ARG A 52 9.797 1.335 9.683 1.00 44.42 H new ATOM 0 HB2 ARG A 52 10.371 -1.510 8.696 1.00 23.42 H new ATOM 0 HB3 ARG A 52 10.509 -0.072 7.704 1.00 23.42 H new ATOM 0 HG2 ARG A 52 12.178 -0.632 10.193 1.00 71.21 H new ATOM 0 HG3 ARG A 52 12.707 -0.920 8.547 1.00 71.21 H new ATOM 0 HD2 ARG A 52 13.686 1.159 9.148 1.00 44.11 H new ATOM 0 HD3 ARG A 52 12.343 1.580 8.103 1.00 44.11 H new ATOM 0 HE ARG A 52 11.659 1.616 10.955 1.00 52.43 H new ATOM 0 HH11 ARG A 52 12.934 3.536 8.236 1.00 13.04 H new ATOM 0 HH12 ARG A 52 12.539 5.076 9.007 1.00 13.04 H new ATOM 0 HH21 ARG A 52 11.168 3.599 11.907 1.00 32.11 H new ATOM 0 HH22 ARG A 52 11.545 5.111 11.072 1.00 32.11 H new ATOM 872 N PRO A 53 7.784 1.035 8.063 1.00 25.30 N ATOM 873 CA PRO A 53 6.674 0.777 7.146 1.00 53.43 C ATOM 874 C PRO A 53 7.116 -0.187 6.021 1.00 10.14 C ATOM 875 O PRO A 53 8.319 -0.353 5.754 1.00 14.22 O ATOM 876 CB PRO A 53 6.313 2.181 6.611 1.00 41.51 C ATOM 877 CG PRO A 53 7.592 2.966 6.688 1.00 35.25 C ATOM 878 CD PRO A 53 8.382 2.390 7.854 1.00 25.54 C ATOM 0 HA PRO A 53 5.820 0.291 7.617 1.00 53.43 H new ATOM 0 HB2 PRO A 53 5.942 2.130 5.587 1.00 41.51 H new ATOM 0 HB3 PRO A 53 5.529 2.643 7.212 1.00 41.51 H new ATOM 0 HG2 PRO A 53 8.155 2.882 5.759 1.00 35.25 H new ATOM 0 HG3 PRO A 53 7.388 4.026 6.843 1.00 35.25 H new ATOM 0 HD2 PRO A 53 9.445 2.326 7.623 1.00 25.54 H new ATOM 0 HD3 PRO A 53 8.287 3.010 8.745 1.00 25.54 H new ATOM 886 N ILE A 54 6.147 -0.846 5.397 1.00 25.54 N ATOM 887 CA ILE A 54 6.376 -1.674 4.216 1.00 4.32 C ATOM 888 C ILE A 54 5.334 -1.291 3.167 1.00 42.42 C ATOM 889 O ILE A 54 4.137 -1.435 3.394 1.00 2.51 O ATOM 890 CB ILE A 54 6.316 -3.217 4.560 1.00 70.15 C ATOM 891 CG1 ILE A 54 6.291 -4.080 3.260 1.00 1.13 C ATOM 892 CG2 ILE A 54 5.139 -3.561 5.497 1.00 34.42 C ATOM 893 CD1 ILE A 54 6.160 -5.569 3.493 1.00 24.40 C ATOM 0 H ILE A 54 5.173 -0.822 5.697 1.00 25.54 H new ATOM 0 HA ILE A 54 7.379 -1.494 3.828 1.00 4.32 H new ATOM 0 HB ILE A 54 7.227 -3.462 5.105 1.00 70.15 H new ATOM 0 HG12 ILE A 54 5.461 -3.749 2.636 1.00 1.13 H new ATOM 0 HG13 ILE A 54 7.206 -3.893 2.698 1.00 1.13 H new ATOM 0 HG21 ILE A 54 5.140 -4.631 5.704 1.00 34.42 H new ATOM 0 HG22 ILE A 54 5.245 -3.010 6.432 1.00 34.42 H new ATOM 0 HG23 ILE A 54 4.200 -3.285 5.018 1.00 34.42 H new ATOM 0 HD11 ILE A 54 6.151 -6.088 2.534 1.00 24.40 H new ATOM 0 HD12 ILE A 54 7.003 -5.920 4.088 1.00 24.40 H new ATOM 0 HD13 ILE A 54 5.231 -5.774 4.025 1.00 24.40 H new ATOM 905 N VAL A 55 5.801 -0.796 2.015 1.00 12.21 N ATOM 906 CA VAL A 55 4.924 -0.359 0.940 1.00 63.43 C ATOM 907 C VAL A 55 4.795 -1.493 -0.084 1.00 14.42 C ATOM 908 O VAL A 55 5.714 -1.766 -0.865 1.00 54.35 O ATOM 909 CB VAL A 55 5.449 0.962 0.269 1.00 41.24 C ATOM 910 CG1 VAL A 55 4.419 1.500 -0.734 1.00 4.02 C ATOM 911 CG2 VAL A 55 5.796 2.027 1.337 1.00 72.20 C ATOM 0 H VAL A 55 6.794 -0.690 1.809 1.00 12.21 H new ATOM 0 HA VAL A 55 3.941 -0.129 1.350 1.00 63.43 H new ATOM 0 HB VAL A 55 6.365 0.730 -0.275 1.00 41.24 H new ATOM 0 HG11 VAL A 55 4.798 2.415 -1.189 1.00 4.02 H new ATOM 0 HG12 VAL A 55 4.243 0.755 -1.509 1.00 4.02 H new ATOM 0 HG13 VAL A 55 3.484 1.713 -0.216 1.00 4.02 H new ATOM 0 HG21 VAL A 55 6.157 2.931 0.846 1.00 72.20 H new ATOM 0 HG22 VAL A 55 4.905 2.262 1.920 1.00 72.20 H new ATOM 0 HG23 VAL A 55 6.571 1.640 1.999 1.00 72.20 H new ATOM 921 N VAL A 56 3.646 -2.159 -0.030 1.00 22.05 N ATOM 922 CA VAL A 56 3.287 -3.276 -0.891 1.00 52.14 C ATOM 923 C VAL A 56 2.520 -2.765 -2.109 1.00 3.40 C ATOM 924 O VAL A 56 1.378 -2.315 -1.987 1.00 14.22 O ATOM 925 CB VAL A 56 2.386 -4.291 -0.103 1.00 10.35 C ATOM 926 CG1 VAL A 56 2.012 -5.513 -0.971 1.00 52.21 C ATOM 927 CG2 VAL A 56 3.066 -4.702 1.222 1.00 42.33 C ATOM 0 H VAL A 56 2.913 -1.925 0.640 1.00 22.05 H new ATOM 0 HA VAL A 56 4.199 -3.777 -1.217 1.00 52.14 H new ATOM 0 HB VAL A 56 1.449 -3.793 0.147 1.00 10.35 H new ATOM 0 HG11 VAL A 56 1.388 -6.194 -0.392 1.00 52.21 H new ATOM 0 HG12 VAL A 56 1.464 -5.179 -1.852 1.00 52.21 H new ATOM 0 HG13 VAL A 56 2.920 -6.030 -1.282 1.00 52.21 H new ATOM 0 HG21 VAL A 56 2.427 -5.406 1.756 1.00 42.33 H new ATOM 0 HG22 VAL A 56 4.025 -5.173 1.008 1.00 42.33 H new ATOM 0 HG23 VAL A 56 3.225 -3.818 1.839 1.00 42.33 H new ATOM 937 N PHE A 57 3.153 -2.826 -3.273 1.00 25.30 N ATOM 938 CA PHE A 57 2.520 -2.472 -4.534 1.00 35.24 C ATOM 939 C PHE A 57 1.758 -3.689 -5.074 1.00 5.41 C ATOM 940 O PHE A 57 2.358 -4.681 -5.493 1.00 24.13 O ATOM 941 CB PHE A 57 3.595 -1.979 -5.533 1.00 50.34 C ATOM 942 CG PHE A 57 4.372 -0.775 -4.999 1.00 15.12 C ATOM 943 CD1 PHE A 57 3.861 0.517 -5.131 1.00 32.03 C ATOM 944 CD2 PHE A 57 5.588 -0.942 -4.326 1.00 3.52 C ATOM 945 CE1 PHE A 57 4.538 1.600 -4.609 1.00 64.12 C ATOM 946 CE2 PHE A 57 6.264 0.146 -3.812 1.00 2.34 C ATOM 947 CZ PHE A 57 5.737 1.416 -3.955 1.00 35.33 C ATOM 0 H PHE A 57 4.124 -3.124 -3.368 1.00 25.30 H new ATOM 0 HA PHE A 57 1.806 -1.662 -4.387 1.00 35.24 H new ATOM 0 HB2 PHE A 57 4.289 -2.791 -5.747 1.00 50.34 H new ATOM 0 HB3 PHE A 57 3.117 -1.712 -6.476 1.00 50.34 H new ATOM 0 HD1 PHE A 57 2.925 0.671 -5.648 1.00 32.03 H new ATOM 0 HD2 PHE A 57 6.002 -1.933 -4.208 1.00 3.52 H new ATOM 0 HE1 PHE A 57 4.128 2.594 -4.713 1.00 64.12 H new ATOM 0 HE2 PHE A 57 7.204 0.005 -3.299 1.00 2.34 H new ATOM 0 HZ PHE A 57 6.267 2.267 -3.553 1.00 35.33 H new ATOM 957 N VAL A 58 0.429 -3.616 -4.978 1.00 41.03 N ATOM 958 CA VAL A 58 -0.499 -4.561 -5.619 1.00 62.12 C ATOM 959 C VAL A 58 -1.052 -3.861 -6.865 1.00 14.15 C ATOM 960 O VAL A 58 -1.193 -2.641 -6.871 1.00 34.42 O ATOM 961 CB VAL A 58 -1.685 -4.961 -4.645 1.00 62.31 C ATOM 962 CG1 VAL A 58 -2.668 -5.963 -5.311 1.00 3.24 C ATOM 963 CG2 VAL A 58 -1.143 -5.521 -3.305 1.00 14.01 C ATOM 0 H VAL A 58 -0.045 -2.887 -4.444 1.00 41.03 H new ATOM 0 HA VAL A 58 0.022 -5.483 -5.877 1.00 62.12 H new ATOM 0 HB VAL A 58 -2.246 -4.051 -4.430 1.00 62.31 H new ATOM 0 HG11 VAL A 58 -3.465 -6.211 -4.610 1.00 3.24 H new ATOM 0 HG12 VAL A 58 -3.098 -5.511 -6.205 1.00 3.24 H new ATOM 0 HG13 VAL A 58 -2.131 -6.871 -5.586 1.00 3.24 H new ATOM 0 HG21 VAL A 58 -1.978 -5.787 -2.657 1.00 14.01 H new ATOM 0 HG22 VAL A 58 -0.538 -6.407 -3.499 1.00 14.01 H new ATOM 0 HG23 VAL A 58 -0.531 -4.764 -2.815 1.00 14.01 H new ATOM 973 N ARG A 59 -1.313 -4.605 -7.945 1.00 53.52 N ATOM 974 CA ARG A 59 -1.952 -4.019 -9.128 1.00 72.21 C ATOM 975 C ARG A 59 -3.473 -4.053 -8.925 1.00 44.03 C ATOM 976 O ARG A 59 -4.021 -5.095 -8.559 1.00 63.41 O ATOM 977 CB ARG A 59 -1.514 -4.754 -10.425 1.00 53.01 C ATOM 978 CG ARG A 59 -1.988 -4.048 -11.715 1.00 13.20 C ATOM 979 CD ARG A 59 -1.303 -4.552 -13.000 1.00 22.25 C ATOM 980 NE ARG A 59 -1.795 -3.803 -14.173 1.00 14.10 N ATOM 981 CZ ARG A 59 -1.098 -3.522 -15.289 1.00 21.51 C ATOM 982 NH1 ARG A 59 0.168 -3.921 -15.437 1.00 22.20 N ATOM 983 NH2 ARG A 59 -1.691 -2.831 -16.258 1.00 24.03 N ATOM 0 H ARG A 59 -1.096 -5.598 -8.025 1.00 53.52 H new ATOM 0 HA ARG A 59 -1.635 -2.983 -9.249 1.00 72.21 H new ATOM 0 HB2 ARG A 59 -0.427 -4.833 -10.440 1.00 53.01 H new ATOM 0 HB3 ARG A 59 -1.907 -5.770 -10.409 1.00 53.01 H new ATOM 0 HG2 ARG A 59 -3.065 -4.182 -11.814 1.00 13.20 H new ATOM 0 HG3 ARG A 59 -1.808 -2.977 -11.617 1.00 13.20 H new ATOM 0 HD2 ARG A 59 -0.223 -4.436 -12.913 1.00 22.25 H new ATOM 0 HD3 ARG A 59 -1.500 -5.616 -13.131 1.00 22.25 H new ATOM 0 HE ARG A 59 -2.757 -3.466 -14.134 1.00 14.10 H new ATOM 0 HH11 ARG A 59 0.626 -4.450 -14.695 1.00 22.20 H new ATOM 0 HH12 ARG A 59 0.677 -3.696 -16.292 1.00 22.20 H new ATOM 0 HH21 ARG A 59 -2.657 -2.524 -16.147 1.00 24.03 H new ATOM 0 HH22 ARG A 59 -1.179 -2.608 -17.112 1.00 24.03 H new ATOM 997 N GLY A 60 -4.134 -2.893 -9.154 1.00 53.53 N ATOM 998 CA GLY A 60 -5.581 -2.733 -8.946 1.00 61.34 C ATOM 999 C GLY A 60 -6.439 -3.623 -9.845 1.00 42.12 C ATOM 1000 O GLY A 60 -7.644 -3.750 -9.609 1.00 13.02 O ATOM 0 H GLY A 60 -3.673 -2.046 -9.488 1.00 53.53 H new ATOM 0 HA2 GLY A 60 -5.815 -2.953 -7.904 1.00 61.34 H new ATOM 0 HA3 GLY A 60 -5.850 -1.691 -9.120 1.00 61.34 H new ATOM 1004 N GLY A 61 -5.808 -4.224 -10.886 1.00 42.21 N ATOM 1005 CA GLY A 61 -6.461 -5.239 -11.736 1.00 32.54 C ATOM 1006 C GLY A 61 -6.814 -6.516 -10.974 1.00 1.21 C ATOM 1007 O GLY A 61 -7.577 -7.353 -11.467 1.00 21.52 O ATOM 0 H GLY A 61 -4.845 -4.019 -11.153 1.00 42.21 H new ATOM 0 HA2 GLY A 61 -7.369 -4.816 -12.166 1.00 32.54 H new ATOM 0 HA3 GLY A 61 -5.801 -5.489 -12.567 1.00 32.54 H new ATOM 1011 N ASP A 62 -6.241 -6.656 -9.766 1.00 20.24 N ATOM 1012 CA ASP A 62 -6.608 -7.709 -8.813 1.00 71.23 C ATOM 1013 C ASP A 62 -6.825 -7.068 -7.424 1.00 33.04 C ATOM 1014 O ASP A 62 -5.860 -6.767 -6.706 1.00 65.10 O ATOM 1015 CB ASP A 62 -5.524 -8.826 -8.735 1.00 14.44 C ATOM 1016 CG ASP A 62 -6.111 -10.197 -8.309 1.00 0.12 C ATOM 1017 OD1 ASP A 62 -6.779 -10.280 -7.255 1.00 64.22 O ATOM 1018 OD2 ASP A 62 -5.923 -11.193 -9.042 1.00 53.22 O ATOM 0 H ASP A 62 -5.506 -6.036 -9.425 1.00 20.24 H new ATOM 0 HA ASP A 62 -7.528 -8.184 -9.155 1.00 71.23 H new ATOM 0 HB2 ASP A 62 -5.042 -8.928 -9.707 1.00 14.44 H new ATOM 0 HB3 ASP A 62 -4.752 -8.529 -8.025 1.00 14.44 H new ATOM 1023 N ASP A 63 -8.096 -6.868 -7.071 1.00 12.14 N ATOM 1024 CA ASP A 63 -8.515 -6.323 -5.766 1.00 13.40 C ATOM 1025 C ASP A 63 -8.385 -7.396 -4.655 1.00 61.12 C ATOM 1026 O ASP A 63 -8.123 -7.076 -3.485 1.00 23.21 O ATOM 1027 CB ASP A 63 -9.983 -5.827 -5.886 1.00 21.33 C ATOM 1028 CG ASP A 63 -10.579 -5.281 -4.568 1.00 33.13 C ATOM 1029 OD1 ASP A 63 -10.372 -4.081 -4.257 1.00 34.14 O ATOM 1030 OD2 ASP A 63 -11.259 -6.050 -3.837 1.00 34.12 O ATOM 0 H ASP A 63 -8.879 -7.081 -7.688 1.00 12.14 H new ATOM 0 HA ASP A 63 -7.868 -5.490 -5.491 1.00 13.40 H new ATOM 0 HB2 ASP A 63 -10.029 -5.045 -6.644 1.00 21.33 H new ATOM 0 HB3 ASP A 63 -10.605 -6.650 -6.239 1.00 21.33 H new ATOM 1035 N GLU A 64 -8.535 -8.676 -5.059 1.00 63.00 N ATOM 1036 CA GLU A 64 -8.638 -9.826 -4.137 1.00 35.32 C ATOM 1037 C GLU A 64 -7.292 -10.131 -3.448 1.00 42.40 C ATOM 1038 O GLU A 64 -7.272 -10.485 -2.259 1.00 40.32 O ATOM 1039 CB GLU A 64 -9.180 -11.066 -4.906 1.00 61.12 C ATOM 1040 CG GLU A 64 -9.530 -12.282 -4.023 1.00 74.41 C ATOM 1041 CD GLU A 64 -10.146 -13.440 -4.828 1.00 45.40 C ATOM 1042 OE1 GLU A 64 -11.267 -13.285 -5.346 1.00 63.34 O ATOM 1043 OE2 GLU A 64 -9.512 -14.507 -4.955 1.00 55.13 O ATOM 0 H GLU A 64 -8.588 -8.941 -6.042 1.00 63.00 H new ATOM 0 HA GLU A 64 -9.340 -9.571 -3.343 1.00 35.32 H new ATOM 0 HB2 GLU A 64 -10.071 -10.770 -5.459 1.00 61.12 H new ATOM 0 HB3 GLU A 64 -8.436 -11.372 -5.641 1.00 61.12 H new ATOM 0 HG2 GLU A 64 -8.629 -12.633 -3.520 1.00 74.41 H new ATOM 0 HG3 GLU A 64 -10.229 -11.973 -3.246 1.00 74.41 H new ATOM 1050 N ARG A 65 -6.169 -9.961 -4.187 1.00 44.51 N ATOM 1051 CA ARG A 65 -4.804 -10.152 -3.631 1.00 14.05 C ATOM 1052 C ARG A 65 -4.531 -9.168 -2.487 1.00 42.11 C ATOM 1053 O ARG A 65 -3.947 -9.540 -1.464 1.00 41.31 O ATOM 1054 CB ARG A 65 -3.711 -9.994 -4.720 1.00 11.34 C ATOM 1055 CG ARG A 65 -3.756 -11.004 -5.889 1.00 62.11 C ATOM 1056 CD ARG A 65 -3.567 -12.475 -5.478 1.00 4.22 C ATOM 1057 NE ARG A 65 -4.710 -13.011 -4.706 1.00 20.23 N ATOM 1058 CZ ARG A 65 -5.767 -13.657 -5.220 1.00 33.52 C ATOM 1059 NH1 ARG A 65 -5.879 -13.886 -6.530 1.00 53.03 N ATOM 1060 NH2 ARG A 65 -6.730 -14.050 -4.408 1.00 70.53 N ATOM 0 H ARG A 65 -6.180 -9.692 -5.171 1.00 44.51 H new ATOM 0 HA ARG A 65 -4.762 -11.171 -3.245 1.00 14.05 H new ATOM 0 HB2 ARG A 65 -3.784 -8.988 -5.134 1.00 11.34 H new ATOM 0 HB3 ARG A 65 -2.736 -10.071 -4.239 1.00 11.34 H new ATOM 0 HG2 ARG A 65 -4.714 -10.904 -6.400 1.00 62.11 H new ATOM 0 HG3 ARG A 65 -2.981 -10.740 -6.609 1.00 62.11 H new ATOM 0 HD2 ARG A 65 -3.424 -13.081 -6.373 1.00 4.22 H new ATOM 0 HD3 ARG A 65 -2.659 -12.566 -4.882 1.00 4.22 H new ATOM 0 HE ARG A 65 -4.692 -12.878 -3.695 1.00 20.23 H new ATOM 0 HH11 ARG A 65 -5.150 -13.567 -7.168 1.00 53.03 H new ATOM 0 HH12 ARG A 65 -6.694 -14.380 -6.894 1.00 53.03 H new ATOM 0 HH21 ARG A 65 -6.663 -13.861 -3.408 1.00 70.53 H new ATOM 0 HH22 ARG A 65 -7.542 -14.543 -4.780 1.00 70.53 H new ATOM 1074 N ALA A 66 -4.984 -7.918 -2.682 1.00 34.24 N ATOM 1075 CA ALA A 66 -4.845 -6.836 -1.696 1.00 21.44 C ATOM 1076 C ALA A 66 -5.594 -7.157 -0.395 1.00 24.14 C ATOM 1077 O ALA A 66 -5.140 -6.786 0.680 1.00 63.22 O ATOM 1078 CB ALA A 66 -5.357 -5.529 -2.300 1.00 11.43 C ATOM 0 H ALA A 66 -5.461 -7.629 -3.536 1.00 34.24 H new ATOM 0 HA ALA A 66 -3.789 -6.733 -1.445 1.00 21.44 H new ATOM 0 HB1 ALA A 66 -5.255 -4.726 -1.570 1.00 11.43 H new ATOM 0 HB2 ALA A 66 -4.776 -5.287 -3.190 1.00 11.43 H new ATOM 0 HB3 ALA A 66 -6.407 -5.640 -2.572 1.00 11.43 H new ATOM 1084 N LYS A 67 -6.732 -7.871 -0.519 1.00 51.14 N ATOM 1085 CA LYS A 67 -7.558 -8.288 0.633 1.00 63.25 C ATOM 1086 C LYS A 67 -6.843 -9.365 1.467 1.00 63.42 C ATOM 1087 O LYS A 67 -6.863 -9.314 2.698 1.00 50.11 O ATOM 1088 CB LYS A 67 -8.924 -8.824 0.143 1.00 1.32 C ATOM 1089 CG LYS A 67 -9.750 -7.805 -0.665 1.00 22.32 C ATOM 1090 CD LYS A 67 -11.072 -8.403 -1.212 1.00 61.03 C ATOM 1091 CE LYS A 67 -12.053 -8.841 -0.106 1.00 42.13 C ATOM 1092 NZ LYS A 67 -13.320 -9.405 -0.661 1.00 1.11 N ATOM 0 H LYS A 67 -7.104 -8.174 -1.419 1.00 51.14 H new ATOM 0 HA LYS A 67 -7.719 -7.415 1.266 1.00 63.25 H new ATOM 0 HB2 LYS A 67 -8.755 -9.708 -0.473 1.00 1.32 H new ATOM 0 HB3 LYS A 67 -9.507 -9.144 1.007 1.00 1.32 H new ATOM 0 HG2 LYS A 67 -9.979 -6.947 -0.033 1.00 22.32 H new ATOM 0 HG3 LYS A 67 -9.151 -7.437 -1.498 1.00 22.32 H new ATOM 0 HD2 LYS A 67 -11.560 -7.664 -1.848 1.00 61.03 H new ATOM 0 HD3 LYS A 67 -10.840 -9.262 -1.842 1.00 61.03 H new ATOM 0 HE2 LYS A 67 -11.573 -9.587 0.527 1.00 42.13 H new ATOM 0 HE3 LYS A 67 -12.286 -7.986 0.529 1.00 42.13 H new ATOM 0 HZ1 LYS A 67 -13.947 -9.685 0.120 1.00 1.11 H new ATOM 0 HZ2 LYS A 67 -13.794 -8.686 -1.244 1.00 1.11 H new ATOM 0 HZ3 LYS A 67 -13.103 -10.237 -1.246 1.00 1.11 H new ATOM 1106 N ASP A 68 -6.219 -10.333 0.769 1.00 43.13 N ATOM 1107 CA ASP A 68 -5.449 -11.437 1.406 1.00 13.05 C ATOM 1108 C ASP A 68 -4.283 -10.887 2.254 1.00 74.51 C ATOM 1109 O ASP A 68 -4.050 -11.318 3.394 1.00 62.32 O ATOM 1110 CB ASP A 68 -4.883 -12.409 0.331 1.00 3.31 C ATOM 1111 CG ASP A 68 -5.952 -13.087 -0.547 1.00 23.40 C ATOM 1112 OD1 ASP A 68 -6.936 -13.632 0.008 1.00 30.11 O ATOM 1113 OD2 ASP A 68 -5.784 -13.120 -1.790 1.00 42.14 O ATOM 0 H ASP A 68 -6.230 -10.379 -0.250 1.00 43.13 H new ATOM 0 HA ASP A 68 -6.137 -11.977 2.056 1.00 13.05 H new ATOM 0 HB2 ASP A 68 -4.198 -11.858 -0.314 1.00 3.31 H new ATOM 0 HB3 ASP A 68 -4.298 -13.182 0.830 1.00 3.31 H new ATOM 1118 N ILE A 69 -3.580 -9.917 1.664 1.00 64.30 N ATOM 1119 CA ILE A 69 -2.422 -9.250 2.268 1.00 12.11 C ATOM 1120 C ILE A 69 -2.867 -8.318 3.423 1.00 11.45 C ATOM 1121 O ILE A 69 -2.204 -8.247 4.469 1.00 43.12 O ATOM 1122 CB ILE A 69 -1.657 -8.447 1.153 1.00 11.24 C ATOM 1123 CG1 ILE A 69 -1.104 -9.429 0.063 1.00 24.13 C ATOM 1124 CG2 ILE A 69 -0.535 -7.574 1.749 1.00 11.22 C ATOM 1125 CD1 ILE A 69 -0.531 -8.764 -1.179 1.00 42.13 C ATOM 0 H ILE A 69 -3.804 -9.565 0.733 1.00 64.30 H new ATOM 0 HA ILE A 69 -1.752 -9.996 2.694 1.00 12.11 H new ATOM 0 HB ILE A 69 -2.364 -7.768 0.676 1.00 11.24 H new ATOM 0 HG12 ILE A 69 -0.328 -10.048 0.515 1.00 24.13 H new ATOM 0 HG13 ILE A 69 -1.909 -10.098 -0.242 1.00 24.13 H new ATOM 0 HG21 ILE A 69 -0.029 -7.035 0.948 1.00 11.22 H new ATOM 0 HG22 ILE A 69 -0.964 -6.861 2.453 1.00 11.22 H new ATOM 0 HG23 ILE A 69 0.183 -8.209 2.268 1.00 11.22 H new ATOM 0 HD11 ILE A 69 -0.176 -9.528 -1.870 1.00 42.13 H new ATOM 0 HD12 ILE A 69 -1.305 -8.169 -1.663 1.00 42.13 H new ATOM 0 HD13 ILE A 69 0.299 -8.117 -0.895 1.00 42.13 H new ATOM 1137 N ALA A 70 -4.015 -7.639 3.220 1.00 33.33 N ATOM 1138 CA ALA A 70 -4.601 -6.713 4.206 1.00 52.31 C ATOM 1139 C ALA A 70 -5.047 -7.445 5.477 1.00 65.21 C ATOM 1140 O ALA A 70 -4.881 -6.929 6.578 1.00 54.12 O ATOM 1141 CB ALA A 70 -5.784 -5.960 3.586 1.00 33.33 C ATOM 0 H ALA A 70 -4.562 -7.719 2.363 1.00 33.33 H new ATOM 0 HA ALA A 70 -3.828 -5.999 4.490 1.00 52.31 H new ATOM 0 HB1 ALA A 70 -6.209 -5.279 4.324 1.00 33.33 H new ATOM 0 HB2 ALA A 70 -5.441 -5.391 2.722 1.00 33.33 H new ATOM 0 HB3 ALA A 70 -6.545 -6.674 3.271 1.00 33.33 H new ATOM 1147 N GLU A 71 -5.608 -8.652 5.284 1.00 41.41 N ATOM 1148 CA GLU A 71 -6.086 -9.536 6.357 1.00 52.01 C ATOM 1149 C GLU A 71 -4.929 -9.961 7.268 1.00 54.52 C ATOM 1150 O GLU A 71 -5.049 -9.905 8.498 1.00 23.13 O ATOM 1151 CB GLU A 71 -6.748 -10.788 5.720 1.00 12.11 C ATOM 1152 CG GLU A 71 -7.181 -11.876 6.726 1.00 54.45 C ATOM 1153 CD GLU A 71 -7.576 -13.205 6.067 1.00 11.34 C ATOM 1154 OE1 GLU A 71 -6.730 -13.795 5.357 1.00 53.32 O ATOM 1155 OE2 GLU A 71 -8.703 -13.695 6.296 1.00 74.25 O ATOM 0 H GLU A 71 -5.744 -9.048 4.354 1.00 41.41 H new ATOM 0 HA GLU A 71 -6.814 -8.999 6.965 1.00 52.01 H new ATOM 0 HB2 GLU A 71 -7.622 -10.470 5.152 1.00 12.11 H new ATOM 0 HB3 GLU A 71 -6.049 -11.228 5.009 1.00 12.11 H new ATOM 0 HG2 GLU A 71 -6.365 -12.056 7.426 1.00 54.45 H new ATOM 0 HG3 GLU A 71 -8.024 -11.505 7.308 1.00 54.45 H new ATOM 1162 N TYR A 72 -3.806 -10.365 6.637 1.00 53.24 N ATOM 1163 CA TYR A 72 -2.596 -10.796 7.352 1.00 71.43 C ATOM 1164 C TYR A 72 -2.070 -9.648 8.222 1.00 51.13 C ATOM 1165 O TYR A 72 -1.926 -9.797 9.435 1.00 35.41 O ATOM 1166 CB TYR A 72 -1.499 -11.272 6.356 1.00 11.52 C ATOM 1167 CG TYR A 72 -0.167 -11.671 7.026 1.00 30.32 C ATOM 1168 CD1 TYR A 72 0.014 -12.937 7.593 1.00 33.22 C ATOM 1169 CD2 TYR A 72 0.908 -10.775 7.105 1.00 42.24 C ATOM 1170 CE1 TYR A 72 1.208 -13.289 8.209 1.00 32.51 C ATOM 1171 CE2 TYR A 72 2.097 -11.125 7.718 1.00 42.50 C ATOM 1172 CZ TYR A 72 2.246 -12.381 8.266 1.00 61.03 C ATOM 1173 OH TYR A 72 3.436 -12.724 8.882 1.00 24.21 O ATOM 0 H TYR A 72 -3.717 -10.400 5.621 1.00 53.24 H new ATOM 0 HA TYR A 72 -2.854 -11.639 7.993 1.00 71.43 H new ATOM 0 HB2 TYR A 72 -1.880 -12.125 5.794 1.00 11.52 H new ATOM 0 HB3 TYR A 72 -1.307 -10.476 5.637 1.00 11.52 H new ATOM 0 HD1 TYR A 72 -0.791 -13.655 7.551 1.00 33.22 H new ATOM 0 HD2 TYR A 72 0.805 -9.789 6.677 1.00 42.24 H new ATOM 0 HE1 TYR A 72 1.324 -14.271 8.643 1.00 32.51 H new ATOM 0 HE2 TYR A 72 2.909 -10.414 7.767 1.00 42.50 H new ATOM 0 HH TYR A 72 4.060 -11.970 8.832 1.00 24.21 H new ATOM 1183 N ALA A 73 -1.850 -8.493 7.576 1.00 13.03 N ATOM 1184 CA ALA A 73 -1.320 -7.283 8.221 1.00 20.11 C ATOM 1185 C ALA A 73 -2.225 -6.792 9.377 1.00 64.40 C ATOM 1186 O ALA A 73 -1.737 -6.338 10.417 1.00 41.03 O ATOM 1187 CB ALA A 73 -1.166 -6.195 7.161 1.00 72.23 C ATOM 0 H ALA A 73 -2.037 -8.372 6.581 1.00 13.03 H new ATOM 0 HA ALA A 73 -0.353 -7.520 8.664 1.00 20.11 H new ATOM 0 HB1 ALA A 73 -0.773 -5.289 7.623 1.00 72.23 H new ATOM 0 HB2 ALA A 73 -0.477 -6.535 6.388 1.00 72.23 H new ATOM 0 HB3 ALA A 73 -2.137 -5.982 6.714 1.00 72.23 H new ATOM 1193 N GLN A 74 -3.543 -6.924 9.166 1.00 20.45 N ATOM 1194 CA GLN A 74 -4.577 -6.567 10.155 1.00 61.41 C ATOM 1195 C GLN A 74 -4.501 -7.485 11.383 1.00 32.22 C ATOM 1196 O GLN A 74 -4.622 -7.037 12.528 1.00 50.24 O ATOM 1197 CB GLN A 74 -5.967 -6.704 9.501 1.00 2.24 C ATOM 1198 CG GLN A 74 -7.145 -6.193 10.344 1.00 62.43 C ATOM 1199 CD GLN A 74 -8.501 -6.520 9.723 1.00 45.31 C ATOM 1200 OE1 GLN A 74 -8.685 -7.582 9.127 1.00 13.42 O ATOM 1201 NE2 GLN A 74 -9.428 -5.592 9.775 1.00 65.21 N ATOM 0 H GLN A 74 -3.928 -7.286 8.294 1.00 20.45 H new ATOM 0 HA GLN A 74 -4.411 -5.540 10.481 1.00 61.41 H new ATOM 0 HB2 GLN A 74 -5.959 -6.164 8.554 1.00 2.24 H new ATOM 0 HB3 GLN A 74 -6.138 -7.755 9.268 1.00 2.24 H new ATOM 0 HG2 GLN A 74 -7.091 -6.632 11.340 1.00 62.43 H new ATOM 0 HG3 GLN A 74 -7.057 -5.113 10.467 1.00 62.43 H new ATOM 0 HE21 GLN A 74 -9.250 -4.721 10.275 1.00 65.21 H new ATOM 0 HE22 GLN A 74 -10.326 -5.742 9.315 1.00 65.21 H new ATOM 1210 N LYS A 75 -4.283 -8.779 11.102 1.00 1.22 N ATOM 1211 CA LYS A 75 -4.212 -9.846 12.107 1.00 64.43 C ATOM 1212 C LYS A 75 -2.945 -9.692 12.977 1.00 75.30 C ATOM 1213 O LYS A 75 -2.954 -10.032 14.160 1.00 60.22 O ATOM 1214 CB LYS A 75 -4.236 -11.222 11.378 1.00 11.31 C ATOM 1215 CG LYS A 75 -4.370 -12.455 12.299 1.00 25.14 C ATOM 1216 CD LYS A 75 -4.496 -13.783 11.507 1.00 74.42 C ATOM 1217 CE LYS A 75 -5.742 -13.834 10.596 1.00 32.52 C ATOM 1218 NZ LYS A 75 -5.810 -15.103 9.819 1.00 20.34 N ATOM 0 H LYS A 75 -4.149 -9.118 10.149 1.00 1.22 H new ATOM 0 HA LYS A 75 -5.070 -9.782 12.776 1.00 64.43 H new ATOM 0 HB2 LYS A 75 -5.065 -11.225 10.671 1.00 11.31 H new ATOM 0 HB3 LYS A 75 -3.320 -11.322 10.796 1.00 11.31 H new ATOM 0 HG2 LYS A 75 -3.501 -12.509 12.955 1.00 25.14 H new ATOM 0 HG3 LYS A 75 -5.245 -12.333 12.938 1.00 25.14 H new ATOM 0 HD2 LYS A 75 -3.603 -13.921 10.898 1.00 74.42 H new ATOM 0 HD3 LYS A 75 -4.534 -14.615 12.210 1.00 74.42 H new ATOM 0 HE2 LYS A 75 -6.641 -13.732 11.204 1.00 32.52 H new ATOM 0 HE3 LYS A 75 -5.724 -12.988 9.909 1.00 32.52 H new ATOM 0 HZ1 LYS A 75 -6.660 -15.098 9.220 1.00 20.34 H new ATOM 0 HZ2 LYS A 75 -4.965 -15.189 9.219 1.00 20.34 H new ATOM 0 HZ3 LYS A 75 -5.853 -15.909 10.474 1.00 20.34 H new ATOM 1232 N GLU A 76 -1.872 -9.126 12.378 1.00 72.32 N ATOM 1233 CA GLU A 76 -0.612 -8.831 13.095 1.00 72.34 C ATOM 1234 C GLU A 76 -0.734 -7.542 13.943 1.00 62.32 C ATOM 1235 O GLU A 76 0.189 -7.202 14.691 1.00 53.55 O ATOM 1236 CB GLU A 76 0.567 -8.725 12.089 1.00 13.22 C ATOM 1237 CG GLU A 76 0.735 -9.940 11.146 1.00 3.41 C ATOM 1238 CD GLU A 76 0.848 -11.292 11.880 1.00 5.35 C ATOM 1239 OE1 GLU A 76 1.966 -11.657 12.301 1.00 13.23 O ATOM 1240 OE2 GLU A 76 -0.178 -11.987 12.051 1.00 62.11 O ATOM 0 H GLU A 76 -1.855 -8.863 11.393 1.00 72.32 H new ATOM 0 HA GLU A 76 -0.411 -9.654 13.781 1.00 72.34 H new ATOM 0 HB2 GLU A 76 0.428 -7.830 11.482 1.00 13.22 H new ATOM 0 HB3 GLU A 76 1.492 -8.589 12.650 1.00 13.22 H new ATOM 0 HG2 GLU A 76 -0.115 -9.978 10.464 1.00 3.41 H new ATOM 0 HG3 GLU A 76 1.627 -9.793 10.536 1.00 3.41 H new ATOM 1247 N GLY A 77 -1.882 -6.837 13.800 1.00 31.43 N ATOM 1248 CA GLY A 77 -2.184 -5.622 14.572 1.00 12.04 C ATOM 1249 C GLY A 77 -1.495 -4.387 14.021 1.00 31.35 C ATOM 1250 O GLY A 77 -1.226 -3.425 14.753 1.00 50.33 O ATOM 0 H GLY A 77 -2.619 -7.100 13.146 1.00 31.43 H new ATOM 0 HA2 GLY A 77 -3.262 -5.459 14.577 1.00 12.04 H new ATOM 0 HA3 GLY A 77 -1.879 -5.770 15.608 1.00 12.04 H new ATOM 1254 N LEU A 78 -1.204 -4.416 12.713 1.00 43.13 N ATOM 1255 CA LEU A 78 -0.441 -3.362 12.033 1.00 31.32 C ATOM 1256 C LEU A 78 -1.382 -2.381 11.331 1.00 64.53 C ATOM 1257 O LEU A 78 -2.451 -2.780 10.853 1.00 21.20 O ATOM 1258 CB LEU A 78 0.564 -3.994 11.033 1.00 1.11 C ATOM 1259 CG LEU A 78 1.526 -5.060 11.649 1.00 12.31 C ATOM 1260 CD1 LEU A 78 2.578 -5.533 10.633 1.00 74.24 C ATOM 1261 CD2 LEU A 78 2.188 -4.545 12.942 1.00 54.01 C ATOM 0 H LEU A 78 -1.493 -5.175 12.095 1.00 43.13 H new ATOM 0 HA LEU A 78 0.125 -2.800 12.776 1.00 31.32 H new ATOM 0 HB2 LEU A 78 0.003 -4.458 10.222 1.00 1.11 H new ATOM 0 HB3 LEU A 78 1.163 -3.198 10.591 1.00 1.11 H new ATOM 0 HG LEU A 78 0.918 -5.925 11.913 1.00 12.31 H new ATOM 0 HD11 LEU A 78 3.227 -6.274 11.100 1.00 74.24 H new ATOM 0 HD12 LEU A 78 2.078 -5.979 9.773 1.00 74.24 H new ATOM 0 HD13 LEU A 78 3.175 -4.682 10.305 1.00 74.24 H new ATOM 0 HD21 LEU A 78 2.850 -5.313 13.342 1.00 54.01 H new ATOM 0 HD22 LEU A 78 2.765 -3.647 12.722 1.00 54.01 H new ATOM 0 HD23 LEU A 78 1.418 -4.311 13.677 1.00 54.01 H new ATOM 1273 N ARG A 79 -0.977 -1.101 11.296 1.00 14.42 N ATOM 1274 CA ARG A 79 -1.737 -0.027 10.644 1.00 4.43 C ATOM 1275 C ARG A 79 -1.705 -0.242 9.115 1.00 4.33 C ATOM 1276 O ARG A 79 -0.663 -0.059 8.484 1.00 71.35 O ATOM 1277 CB ARG A 79 -1.131 1.357 11.043 1.00 24.42 C ATOM 1278 CG ARG A 79 -1.184 1.656 12.564 1.00 72.35 C ATOM 1279 CD ARG A 79 -0.543 3.005 12.963 1.00 15.11 C ATOM 1280 NE ARG A 79 -0.722 3.288 14.405 1.00 14.10 N ATOM 1281 CZ ARG A 79 -0.251 4.371 15.066 1.00 51.40 C ATOM 1282 NH1 ARG A 79 0.448 5.319 14.440 1.00 42.05 N ATOM 1283 NH2 ARG A 79 -0.504 4.501 16.365 1.00 31.01 N ATOM 0 H ARG A 79 -0.107 -0.782 11.723 1.00 14.42 H new ATOM 0 HA ARG A 79 -2.777 -0.044 10.970 1.00 4.43 H new ATOM 0 HB2 ARG A 79 -0.093 1.396 10.712 1.00 24.42 H new ATOM 0 HB3 ARG A 79 -1.666 2.143 10.510 1.00 24.42 H new ATOM 0 HG2 ARG A 79 -2.224 1.650 12.889 1.00 72.35 H new ATOM 0 HG3 ARG A 79 -0.678 0.853 13.100 1.00 72.35 H new ATOM 0 HD2 ARG A 79 0.520 2.988 12.724 1.00 15.11 H new ATOM 0 HD3 ARG A 79 -0.989 3.808 12.376 1.00 15.11 H new ATOM 0 HE ARG A 79 -1.248 2.605 14.950 1.00 14.10 H new ATOM 0 HH11 ARG A 79 0.638 5.237 13.441 1.00 42.05 H new ATOM 0 HH12 ARG A 79 0.792 6.126 14.960 1.00 42.05 H new ATOM 0 HH21 ARG A 79 -1.048 3.789 16.852 1.00 31.01 H new ATOM 0 HH22 ARG A 79 -0.154 5.313 16.874 1.00 31.01 H new ATOM 1297 N VAL A 80 -2.843 -0.681 8.545 1.00 74.04 N ATOM 1298 CA VAL A 80 -2.951 -1.004 7.111 1.00 53.04 C ATOM 1299 C VAL A 80 -3.506 0.217 6.359 1.00 5.14 C ATOM 1300 O VAL A 80 -4.644 0.623 6.595 1.00 10.45 O ATOM 1301 CB VAL A 80 -3.888 -2.245 6.856 1.00 5.13 C ATOM 1302 CG1 VAL A 80 -3.865 -2.675 5.369 1.00 14.31 C ATOM 1303 CG2 VAL A 80 -3.541 -3.430 7.786 1.00 51.24 C ATOM 0 H VAL A 80 -3.710 -0.821 9.064 1.00 74.04 H new ATOM 0 HA VAL A 80 -1.955 -1.259 6.748 1.00 53.04 H new ATOM 0 HB VAL A 80 -4.904 -1.932 7.096 1.00 5.13 H new ATOM 0 HG11 VAL A 80 -4.522 -3.533 5.228 1.00 14.31 H new ATOM 0 HG12 VAL A 80 -4.209 -1.849 4.746 1.00 14.31 H new ATOM 0 HG13 VAL A 80 -2.848 -2.946 5.084 1.00 14.31 H new ATOM 0 HG21 VAL A 80 -4.210 -4.264 7.577 1.00 51.24 H new ATOM 0 HG22 VAL A 80 -2.510 -3.739 7.612 1.00 51.24 H new ATOM 0 HG23 VAL A 80 -3.657 -3.123 8.825 1.00 51.24 H new ATOM 1313 N ILE A 81 -2.685 0.801 5.468 1.00 25.22 N ATOM 1314 CA ILE A 81 -3.060 1.980 4.670 1.00 11.32 C ATOM 1315 C ILE A 81 -3.147 1.566 3.195 1.00 65.23 C ATOM 1316 O ILE A 81 -2.134 1.269 2.581 1.00 34.13 O ATOM 1317 CB ILE A 81 -2.033 3.185 4.835 1.00 11.31 C ATOM 1318 CG1 ILE A 81 -2.093 3.826 6.262 1.00 52.43 C ATOM 1319 CG2 ILE A 81 -2.268 4.274 3.757 1.00 52.35 C ATOM 1320 CD1 ILE A 81 -1.506 3.001 7.392 1.00 75.05 C ATOM 0 H ILE A 81 -1.740 0.467 5.281 1.00 25.22 H new ATOM 0 HA ILE A 81 -4.024 2.339 5.031 1.00 11.32 H new ATOM 0 HB ILE A 81 -1.037 2.762 4.701 1.00 11.31 H new ATOM 0 HG12 ILE A 81 -1.572 4.783 6.230 1.00 52.43 H new ATOM 0 HG13 ILE A 81 -3.136 4.038 6.499 1.00 52.43 H new ATOM 0 HG21 ILE A 81 -1.552 5.084 3.896 1.00 52.35 H new ATOM 0 HG22 ILE A 81 -2.137 3.839 2.766 1.00 52.35 H new ATOM 0 HG23 ILE A 81 -3.281 4.666 3.850 1.00 52.35 H new ATOM 0 HD11 ILE A 81 -1.605 3.547 8.330 1.00 75.05 H new ATOM 0 HD12 ILE A 81 -2.039 2.053 7.466 1.00 75.05 H new ATOM 0 HD13 ILE A 81 -0.452 2.809 7.193 1.00 75.05 H new ATOM 1332 N VAL A 82 -4.356 1.575 2.625 1.00 55.14 N ATOM 1333 CA VAL A 82 -4.587 1.163 1.231 1.00 72.44 C ATOM 1334 C VAL A 82 -4.651 2.420 0.337 1.00 32.52 C ATOM 1335 O VAL A 82 -5.558 3.217 0.476 1.00 4.24 O ATOM 1336 CB VAL A 82 -5.924 0.324 1.126 1.00 74.54 C ATOM 1337 CG1 VAL A 82 -6.213 -0.128 -0.322 1.00 1.11 C ATOM 1338 CG2 VAL A 82 -5.893 -0.884 2.098 1.00 73.03 C ATOM 0 H VAL A 82 -5.203 1.867 3.113 1.00 55.14 H new ATOM 0 HA VAL A 82 -3.767 0.530 0.892 1.00 72.44 H new ATOM 0 HB VAL A 82 -6.744 0.979 1.422 1.00 74.54 H new ATOM 0 HG11 VAL A 82 -7.140 -0.701 -0.346 1.00 1.11 H new ATOM 0 HG12 VAL A 82 -6.310 0.748 -0.964 1.00 1.11 H new ATOM 0 HG13 VAL A 82 -5.393 -0.750 -0.679 1.00 1.11 H new ATOM 0 HG21 VAL A 82 -6.822 -1.447 2.009 1.00 73.03 H new ATOM 0 HG22 VAL A 82 -5.052 -1.531 1.848 1.00 73.03 H new ATOM 0 HG23 VAL A 82 -5.783 -0.525 3.121 1.00 73.03 H new ATOM 1348 N ILE A 83 -3.664 2.622 -0.552 1.00 31.34 N ATOM 1349 CA ILE A 83 -3.641 3.779 -1.475 1.00 45.01 C ATOM 1350 C ILE A 83 -3.972 3.305 -2.896 1.00 55.15 C ATOM 1351 O ILE A 83 -3.148 2.690 -3.569 1.00 24.41 O ATOM 1352 CB ILE A 83 -2.242 4.503 -1.435 1.00 75.03 C ATOM 1353 CG1 ILE A 83 -1.899 4.900 0.033 1.00 53.34 C ATOM 1354 CG2 ILE A 83 -2.207 5.740 -2.376 1.00 2.20 C ATOM 1355 CD1 ILE A 83 -0.519 5.484 0.230 1.00 64.24 C ATOM 0 H ILE A 83 -2.865 1.997 -0.654 1.00 31.34 H new ATOM 0 HA ILE A 83 -4.393 4.502 -1.157 1.00 45.01 H new ATOM 0 HB ILE A 83 -1.485 3.809 -1.800 1.00 75.03 H new ATOM 0 HG12 ILE A 83 -2.637 5.624 0.380 1.00 53.34 H new ATOM 0 HG13 ILE A 83 -1.997 4.017 0.665 1.00 53.34 H new ATOM 0 HG21 ILE A 83 -1.226 6.212 -2.320 1.00 2.20 H new ATOM 0 HG22 ILE A 83 -2.400 5.423 -3.401 1.00 2.20 H new ATOM 0 HG23 ILE A 83 -2.971 6.454 -2.067 1.00 2.20 H new ATOM 0 HD11 ILE A 83 -0.374 5.728 1.282 1.00 64.24 H new ATOM 0 HD12 ILE A 83 0.231 4.757 -0.080 1.00 64.24 H new ATOM 0 HD13 ILE A 83 -0.418 6.388 -0.370 1.00 64.24 H new ATOM 1367 N ILE A 84 -5.201 3.586 -3.338 1.00 41.13 N ATOM 1368 CA ILE A 84 -5.702 3.158 -4.649 1.00 20.00 C ATOM 1369 C ILE A 84 -5.453 4.275 -5.677 1.00 54.00 C ATOM 1370 O ILE A 84 -6.044 5.357 -5.583 1.00 0.15 O ATOM 1371 CB ILE A 84 -7.235 2.811 -4.573 1.00 40.22 C ATOM 1372 CG1 ILE A 84 -7.489 1.770 -3.439 1.00 33.11 C ATOM 1373 CG2 ILE A 84 -7.764 2.287 -5.937 1.00 15.14 C ATOM 1374 CD1 ILE A 84 -8.943 1.514 -3.133 1.00 0.32 C ATOM 0 H ILE A 84 -5.880 4.119 -2.795 1.00 41.13 H new ATOM 0 HA ILE A 84 -5.170 2.258 -4.958 1.00 20.00 H new ATOM 0 HB ILE A 84 -7.783 3.724 -4.341 1.00 40.22 H new ATOM 0 HG12 ILE A 84 -7.019 0.827 -3.718 1.00 33.11 H new ATOM 0 HG13 ILE A 84 -6.996 2.115 -2.530 1.00 33.11 H new ATOM 0 HG21 ILE A 84 -8.826 2.056 -5.851 1.00 15.14 H new ATOM 0 HG22 ILE A 84 -7.619 3.051 -6.701 1.00 15.14 H new ATOM 0 HG23 ILE A 84 -7.218 1.386 -6.217 1.00 15.14 H new ATOM 0 HD11 ILE A 84 -9.022 0.778 -2.333 1.00 0.32 H new ATOM 0 HD12 ILE A 84 -9.418 2.444 -2.819 1.00 0.32 H new ATOM 0 HD13 ILE A 84 -9.441 1.135 -4.025 1.00 0.32 H new ATOM 1386 N VAL A 85 -4.515 4.024 -6.603 1.00 21.10 N ATOM 1387 CA VAL A 85 -4.229 4.914 -7.733 1.00 23.33 C ATOM 1388 C VAL A 85 -4.949 4.362 -8.975 1.00 32.04 C ATOM 1389 O VAL A 85 -4.497 3.386 -9.582 1.00 62.35 O ATOM 1390 CB VAL A 85 -2.674 5.012 -8.006 1.00 55.31 C ATOM 1391 CG1 VAL A 85 -2.340 6.194 -8.950 1.00 43.13 C ATOM 1392 CG2 VAL A 85 -1.884 5.090 -6.678 1.00 21.33 C ATOM 0 H VAL A 85 -3.929 3.189 -6.586 1.00 21.10 H new ATOM 0 HA VAL A 85 -4.584 5.918 -7.500 1.00 23.33 H new ATOM 0 HB VAL A 85 -2.363 4.101 -8.517 1.00 55.31 H new ATOM 0 HG11 VAL A 85 -1.264 6.233 -9.117 1.00 43.13 H new ATOM 0 HG12 VAL A 85 -2.850 6.054 -9.903 1.00 43.13 H new ATOM 0 HG13 VAL A 85 -2.671 7.128 -8.495 1.00 43.13 H new ATOM 0 HG21 VAL A 85 -0.817 5.157 -6.893 1.00 21.33 H new ATOM 0 HG22 VAL A 85 -2.198 5.972 -6.119 1.00 21.33 H new ATOM 0 HG23 VAL A 85 -2.080 4.196 -6.085 1.00 21.33 H new ATOM 1402 N SER A 86 -6.098 4.961 -9.308 1.00 3.44 N ATOM 1403 CA SER A 86 -6.925 4.582 -10.462 1.00 72.23 C ATOM 1404 C SER A 86 -7.656 5.830 -10.967 1.00 34.10 C ATOM 1405 O SER A 86 -8.209 6.592 -10.163 1.00 1.31 O ATOM 1406 CB SER A 86 -7.958 3.489 -10.060 1.00 64.12 C ATOM 1407 OG SER A 86 -7.320 2.289 -9.641 1.00 13.12 O ATOM 0 H SER A 86 -6.487 5.738 -8.774 1.00 3.44 H new ATOM 0 HA SER A 86 -6.289 4.174 -11.248 1.00 72.23 H new ATOM 0 HB2 SER A 86 -8.590 3.865 -9.256 1.00 64.12 H new ATOM 0 HB3 SER A 86 -8.611 3.277 -10.906 1.00 64.12 H new ATOM 0 HG SER A 86 -7.999 1.626 -9.395 1.00 13.12 H new ATOM 1413 N GLN A 87 -7.643 6.044 -12.297 1.00 61.21 N ATOM 1414 CA GLN A 87 -8.428 7.118 -12.939 1.00 2.53 C ATOM 1415 C GLN A 87 -9.941 6.858 -12.758 1.00 52.22 C ATOM 1416 O GLN A 87 -10.745 7.793 -12.752 1.00 4.12 O ATOM 1417 CB GLN A 87 -8.075 7.255 -14.446 1.00 70.42 C ATOM 1418 CG GLN A 87 -8.397 6.015 -15.314 1.00 41.02 C ATOM 1419 CD GLN A 87 -8.183 6.238 -16.815 1.00 21.42 C ATOM 1420 OE1 GLN A 87 -8.315 7.357 -17.318 1.00 24.24 O ATOM 1421 NE2 GLN A 87 -7.881 5.182 -17.552 1.00 52.30 N ATOM 0 H GLN A 87 -7.095 5.485 -12.951 1.00 61.21 H new ATOM 0 HA GLN A 87 -8.171 8.059 -12.452 1.00 2.53 H new ATOM 0 HB2 GLN A 87 -8.612 8.112 -14.852 1.00 70.42 H new ATOM 0 HB3 GLN A 87 -7.011 7.474 -14.535 1.00 70.42 H new ATOM 0 HG2 GLN A 87 -7.774 5.183 -14.987 1.00 41.02 H new ATOM 0 HG3 GLN A 87 -9.433 5.723 -15.144 1.00 41.02 H new ATOM 0 HE21 GLN A 87 -7.777 4.267 -17.114 1.00 52.30 H new ATOM 0 HE22 GLN A 87 -7.752 5.283 -18.559 1.00 52.30 H new ATOM 1430 N ASP A 88 -10.291 5.562 -12.620 1.00 5.01 N ATOM 1431 CA ASP A 88 -11.645 5.095 -12.299 1.00 41.32 C ATOM 1432 C ASP A 88 -12.051 5.579 -10.895 1.00 34.03 C ATOM 1433 O ASP A 88 -11.636 4.989 -9.891 1.00 32.24 O ATOM 1434 CB ASP A 88 -11.697 3.543 -12.360 1.00 65.01 C ATOM 1435 CG ASP A 88 -11.432 2.981 -13.764 1.00 60.55 C ATOM 1436 OD1 ASP A 88 -10.247 2.888 -14.163 1.00 50.21 O ATOM 1437 OD2 ASP A 88 -12.400 2.631 -14.479 1.00 52.45 O ATOM 0 H ASP A 88 -9.622 4.800 -12.732 1.00 5.01 H new ATOM 0 HA ASP A 88 -12.343 5.504 -13.029 1.00 41.32 H new ATOM 0 HB2 ASP A 88 -10.961 3.134 -11.668 1.00 65.01 H new ATOM 0 HB3 ASP A 88 -12.676 3.206 -12.020 1.00 65.01 H new ATOM 1442 N GLU A 89 -12.834 6.672 -10.842 1.00 62.01 N ATOM 1443 CA GLU A 89 -13.264 7.299 -9.575 1.00 34.24 C ATOM 1444 C GLU A 89 -14.322 6.470 -8.824 1.00 32.23 C ATOM 1445 O GLU A 89 -14.471 6.617 -7.599 1.00 24.43 O ATOM 1446 CB GLU A 89 -13.761 8.745 -9.813 1.00 32.11 C ATOM 1447 CG GLU A 89 -12.652 9.721 -10.260 1.00 43.12 C ATOM 1448 CD GLU A 89 -13.075 11.195 -10.177 1.00 42.25 C ATOM 1449 OE1 GLU A 89 -13.347 11.668 -9.056 1.00 41.52 O ATOM 1450 OE2 GLU A 89 -13.111 11.893 -11.211 1.00 32.45 O ATOM 0 H GLU A 89 -13.187 7.146 -11.673 1.00 62.01 H new ATOM 0 HA GLU A 89 -12.384 7.334 -8.933 1.00 34.24 H new ATOM 0 HB2 GLU A 89 -14.545 8.729 -10.570 1.00 32.11 H new ATOM 0 HB3 GLU A 89 -14.213 9.120 -8.894 1.00 32.11 H new ATOM 0 HG2 GLU A 89 -11.769 9.567 -9.639 1.00 43.12 H new ATOM 0 HG3 GLU A 89 -12.364 9.489 -11.286 1.00 43.12 H new ATOM 1457 N GLU A 90 -15.050 5.607 -9.551 1.00 21.21 N ATOM 1458 CA GLU A 90 -16.005 4.661 -8.939 1.00 4.23 C ATOM 1459 C GLU A 90 -15.227 3.516 -8.265 1.00 1.23 C ATOM 1460 O GLU A 90 -15.597 3.081 -7.183 1.00 63.44 O ATOM 1461 CB GLU A 90 -17.009 4.107 -9.984 1.00 44.44 C ATOM 1462 CG GLU A 90 -17.784 5.199 -10.753 1.00 54.12 C ATOM 1463 CD GLU A 90 -18.813 4.628 -11.745 1.00 55.22 C ATOM 1464 OE1 GLU A 90 -18.408 4.156 -12.828 1.00 12.45 O ATOM 1465 OE2 GLU A 90 -20.022 4.615 -11.430 1.00 75.22 O ATOM 0 H GLU A 90 -14.997 5.543 -10.568 1.00 21.21 H new ATOM 0 HA GLU A 90 -16.588 5.193 -8.188 1.00 4.23 H new ATOM 0 HB2 GLU A 90 -16.468 3.488 -10.700 1.00 44.44 H new ATOM 0 HB3 GLU A 90 -17.723 3.458 -9.477 1.00 44.44 H new ATOM 0 HG2 GLU A 90 -18.297 5.843 -10.038 1.00 54.12 H new ATOM 0 HG3 GLU A 90 -17.075 5.825 -11.295 1.00 54.12 H new ATOM 1472 N ALA A 91 -14.127 3.061 -8.908 1.00 41.30 N ATOM 1473 CA ALA A 91 -13.220 2.038 -8.331 1.00 72.42 C ATOM 1474 C ALA A 91 -12.471 2.595 -7.110 1.00 15.31 C ATOM 1475 O ALA A 91 -12.144 1.843 -6.179 1.00 0.05 O ATOM 1476 CB ALA A 91 -12.229 1.528 -9.385 1.00 52.42 C ATOM 0 H ALA A 91 -13.844 3.388 -9.832 1.00 41.30 H new ATOM 0 HA ALA A 91 -13.830 1.197 -8.002 1.00 72.42 H new ATOM 0 HB1 ALA A 91 -11.575 0.779 -8.938 1.00 52.42 H new ATOM 0 HB2 ALA A 91 -12.778 1.082 -10.214 1.00 52.42 H new ATOM 0 HB3 ALA A 91 -11.629 2.360 -9.753 1.00 52.42 H new ATOM 1482 N LEU A 92 -12.207 3.921 -7.135 1.00 53.21 N ATOM 1483 CA LEU A 92 -11.677 4.648 -5.973 1.00 52.21 C ATOM 1484 C LEU A 92 -12.668 4.536 -4.796 1.00 25.12 C ATOM 1485 O LEU A 92 -12.277 4.123 -3.715 1.00 61.34 O ATOM 1486 CB LEU A 92 -11.392 6.147 -6.307 1.00 31.32 C ATOM 1487 CG LEU A 92 -10.232 6.444 -7.316 1.00 10.12 C ATOM 1488 CD1 LEU A 92 -10.022 7.965 -7.502 1.00 23.22 C ATOM 1489 CD2 LEU A 92 -8.924 5.759 -6.889 1.00 21.34 C ATOM 0 H LEU A 92 -12.356 4.507 -7.956 1.00 53.21 H new ATOM 0 HA LEU A 92 -10.727 4.194 -5.693 1.00 52.21 H new ATOM 0 HB2 LEU A 92 -12.307 6.585 -6.705 1.00 31.32 H new ATOM 0 HB3 LEU A 92 -11.170 6.665 -5.374 1.00 31.32 H new ATOM 0 HG LEU A 92 -10.527 6.026 -8.279 1.00 10.12 H new ATOM 0 HD11 LEU A 92 -9.210 8.136 -8.208 1.00 23.22 H new ATOM 0 HD12 LEU A 92 -10.938 8.414 -7.886 1.00 23.22 H new ATOM 0 HD13 LEU A 92 -9.770 8.418 -6.543 1.00 23.22 H new ATOM 0 HD21 LEU A 92 -8.141 5.987 -7.612 1.00 21.34 H new ATOM 0 HD22 LEU A 92 -8.627 6.123 -5.906 1.00 21.34 H new ATOM 0 HD23 LEU A 92 -9.075 4.680 -6.846 1.00 21.34 H new ATOM 1501 N ARG A 93 -13.965 4.847 -5.059 1.00 2.24 N ATOM 1502 CA ARG A 93 -15.035 4.804 -4.033 1.00 64.53 C ATOM 1503 C ARG A 93 -15.248 3.388 -3.455 1.00 43.34 C ATOM 1504 O ARG A 93 -15.337 3.225 -2.236 1.00 33.33 O ATOM 1505 CB ARG A 93 -16.388 5.337 -4.588 1.00 31.43 C ATOM 1506 CG ARG A 93 -16.497 6.880 -4.729 1.00 32.45 C ATOM 1507 CD ARG A 93 -17.970 7.357 -4.750 1.00 34.32 C ATOM 1508 NE ARG A 93 -18.703 6.894 -3.551 1.00 55.24 N ATOM 1509 CZ ARG A 93 -19.914 7.314 -3.139 1.00 23.00 C ATOM 1510 NH1 ARG A 93 -20.602 8.242 -3.811 1.00 63.22 N ATOM 1511 NH2 ARG A 93 -20.429 6.790 -2.035 1.00 12.43 N ATOM 0 H ARG A 93 -14.294 5.132 -5.981 1.00 2.24 H new ATOM 0 HA ARG A 93 -14.694 5.455 -3.228 1.00 64.53 H new ATOM 0 HB2 ARG A 93 -16.561 4.888 -5.566 1.00 31.43 H new ATOM 0 HB3 ARG A 93 -17.189 4.993 -3.934 1.00 31.43 H new ATOM 0 HG2 ARG A 93 -15.973 7.358 -3.901 1.00 32.45 H new ATOM 0 HG3 ARG A 93 -16.000 7.196 -5.646 1.00 32.45 H new ATOM 0 HD2 ARG A 93 -18.001 8.445 -4.800 1.00 34.32 H new ATOM 0 HD3 ARG A 93 -18.463 6.982 -5.647 1.00 34.32 H new ATOM 0 HE ARG A 93 -18.245 6.185 -2.979 1.00 55.24 H new ATOM 0 HH11 ARG A 93 -20.212 8.651 -4.660 1.00 63.22 H new ATOM 0 HH12 ARG A 93 -21.518 8.541 -3.475 1.00 63.22 H new ATOM 0 HH21 ARG A 93 -19.909 6.083 -1.515 1.00 12.43 H new ATOM 0 HH22 ARG A 93 -21.345 7.094 -1.705 1.00 12.43 H new ATOM 1525 N LYS A 94 -15.326 2.376 -4.343 1.00 30.12 N ATOM 1526 CA LYS A 94 -15.640 0.983 -3.954 1.00 75.31 C ATOM 1527 C LYS A 94 -14.552 0.410 -3.045 1.00 0.35 C ATOM 1528 O LYS A 94 -14.849 -0.139 -1.984 1.00 33.32 O ATOM 1529 CB LYS A 94 -15.804 0.087 -5.208 1.00 31.31 C ATOM 1530 CG LYS A 94 -16.997 0.464 -6.103 1.00 33.13 C ATOM 1531 CD LYS A 94 -17.058 -0.391 -7.390 1.00 41.44 C ATOM 1532 CE LYS A 94 -18.122 0.098 -8.377 1.00 63.31 C ATOM 1533 NZ LYS A 94 -18.180 -0.740 -9.608 1.00 3.31 N ATOM 0 H LYS A 94 -15.174 2.498 -5.344 1.00 30.12 H new ATOM 0 HA LYS A 94 -16.581 0.996 -3.404 1.00 75.31 H new ATOM 0 HB2 LYS A 94 -14.890 0.139 -5.800 1.00 31.31 H new ATOM 0 HB3 LYS A 94 -15.918 -0.949 -4.888 1.00 31.31 H new ATOM 0 HG2 LYS A 94 -17.923 0.339 -5.542 1.00 33.13 H new ATOM 0 HG3 LYS A 94 -16.928 1.518 -6.372 1.00 33.13 H new ATOM 0 HD2 LYS A 94 -16.083 -0.376 -7.877 1.00 41.44 H new ATOM 0 HD3 LYS A 94 -17.265 -1.427 -7.123 1.00 41.44 H new ATOM 0 HE2 LYS A 94 -19.097 0.091 -7.890 1.00 63.31 H new ATOM 0 HE3 LYS A 94 -17.911 1.131 -8.653 1.00 63.31 H new ATOM 0 HZ1 LYS A 94 -18.914 -0.370 -10.245 1.00 3.31 H new ATOM 0 HZ2 LYS A 94 -17.259 -0.714 -10.089 1.00 3.31 H new ATOM 0 HZ3 LYS A 94 -18.408 -1.721 -9.350 1.00 3.31 H new ATOM 1547 N GLY A 95 -13.292 0.558 -3.481 1.00 70.10 N ATOM 1548 CA GLY A 95 -12.147 0.107 -2.700 1.00 52.02 C ATOM 1549 C GLY A 95 -11.952 0.911 -1.415 1.00 13.44 C ATOM 1550 O GLY A 95 -11.515 0.358 -0.397 1.00 41.20 O ATOM 0 H GLY A 95 -13.047 0.988 -4.373 1.00 70.10 H new ATOM 0 HA2 GLY A 95 -12.277 -0.946 -2.448 1.00 52.02 H new ATOM 0 HA3 GLY A 95 -11.246 0.180 -3.309 1.00 52.02 H new ATOM 1554 N TYR A 96 -12.280 2.222 -1.471 1.00 30.52 N ATOM 1555 CA TYR A 96 -12.134 3.135 -0.323 1.00 54.31 C ATOM 1556 C TYR A 96 -13.038 2.706 0.818 1.00 21.43 C ATOM 1557 O TYR A 96 -12.564 2.383 1.911 1.00 45.11 O ATOM 1558 CB TYR A 96 -12.466 4.593 -0.739 1.00 31.23 C ATOM 1559 CG TYR A 96 -12.440 5.640 0.389 1.00 51.35 C ATOM 1560 CD1 TYR A 96 -11.236 6.143 0.875 1.00 54.53 C ATOM 1561 CD2 TYR A 96 -13.622 6.128 0.969 1.00 32.12 C ATOM 1562 CE1 TYR A 96 -11.205 7.085 1.884 1.00 11.40 C ATOM 1563 CE2 TYR A 96 -13.592 7.070 1.982 1.00 50.32 C ATOM 1564 CZ TYR A 96 -12.381 7.546 2.434 1.00 11.34 C ATOM 1565 OH TYR A 96 -12.346 8.475 3.456 1.00 11.11 O ATOM 0 H TYR A 96 -12.650 2.671 -2.309 1.00 30.52 H new ATOM 0 HA TYR A 96 -11.098 3.092 0.013 1.00 54.31 H new ATOM 0 HB2 TYR A 96 -11.758 4.900 -1.509 1.00 31.23 H new ATOM 0 HB3 TYR A 96 -13.456 4.603 -1.194 1.00 31.23 H new ATOM 0 HD1 TYR A 96 -10.307 5.789 0.454 1.00 54.53 H new ATOM 0 HD2 TYR A 96 -14.575 5.760 0.617 1.00 32.12 H new ATOM 0 HE1 TYR A 96 -10.258 7.461 2.242 1.00 11.40 H new ATOM 0 HE2 TYR A 96 -14.513 7.430 2.416 1.00 50.32 H new ATOM 0 HH TYR A 96 -13.155 9.027 3.424 1.00 11.11 H new ATOM 1575 N GLU A 97 -14.337 2.655 0.516 1.00 3.41 N ATOM 1576 CA GLU A 97 -15.377 2.435 1.509 1.00 10.35 C ATOM 1577 C GLU A 97 -15.340 0.988 2.016 1.00 4.33 C ATOM 1578 O GLU A 97 -15.469 0.765 3.216 1.00 22.23 O ATOM 1579 CB GLU A 97 -16.766 2.805 0.926 1.00 65.52 C ATOM 1580 CG GLU A 97 -16.874 4.269 0.444 1.00 35.11 C ATOM 1581 CD GLU A 97 -18.228 4.612 -0.203 1.00 40.54 C ATOM 1582 OE1 GLU A 97 -19.229 4.760 0.531 1.00 42.20 O ATOM 1583 OE2 GLU A 97 -18.295 4.741 -1.445 1.00 42.33 O ATOM 0 H GLU A 97 -14.694 2.767 -0.433 1.00 3.41 H new ATOM 0 HA GLU A 97 -15.193 3.085 2.364 1.00 10.35 H new ATOM 0 HB2 GLU A 97 -16.987 2.141 0.091 1.00 65.52 H new ATOM 0 HB3 GLU A 97 -17.527 2.626 1.685 1.00 65.52 H new ATOM 0 HG2 GLU A 97 -16.708 4.934 1.292 1.00 35.11 H new ATOM 0 HG3 GLU A 97 -16.078 4.465 -0.275 1.00 35.11 H new ATOM 1590 N ASP A 98 -15.098 0.019 1.098 1.00 23.24 N ATOM 1591 CA ASP A 98 -15.044 -1.418 1.451 1.00 51.32 C ATOM 1592 C ASP A 98 -13.934 -1.692 2.474 1.00 53.32 C ATOM 1593 O ASP A 98 -14.205 -2.223 3.543 1.00 74.12 O ATOM 1594 CB ASP A 98 -14.831 -2.307 0.194 1.00 51.04 C ATOM 1595 CG ASP A 98 -14.657 -3.808 0.525 1.00 64.43 C ATOM 1596 OD1 ASP A 98 -15.632 -4.441 0.977 1.00 45.31 O ATOM 1597 OD2 ASP A 98 -13.546 -4.368 0.327 1.00 65.40 O ATOM 0 H ASP A 98 -14.938 0.209 0.109 1.00 23.24 H new ATOM 0 HA ASP A 98 -16.006 -1.675 1.895 1.00 51.32 H new ATOM 0 HB2 ASP A 98 -15.683 -2.187 -0.475 1.00 51.04 H new ATOM 0 HB3 ASP A 98 -13.950 -1.957 -0.344 1.00 51.04 H new ATOM 1602 N LYS A 99 -12.699 -1.266 2.155 1.00 62.23 N ATOM 1603 CA LYS A 99 -11.524 -1.502 3.017 1.00 14.34 C ATOM 1604 C LYS A 99 -11.628 -0.702 4.339 1.00 54.51 C ATOM 1605 O LYS A 99 -11.198 -1.178 5.395 1.00 50.44 O ATOM 1606 CB LYS A 99 -10.191 -1.177 2.254 1.00 2.14 C ATOM 1607 CG LYS A 99 -9.641 -2.327 1.368 1.00 61.32 C ATOM 1608 CD LYS A 99 -10.602 -2.729 0.226 1.00 42.23 C ATOM 1609 CE LYS A 99 -10.141 -3.975 -0.547 1.00 42.35 C ATOM 1610 NZ LYS A 99 -11.163 -4.401 -1.544 1.00 72.41 N ATOM 0 H LYS A 99 -12.487 -0.752 1.300 1.00 62.23 H new ATOM 0 HA LYS A 99 -11.507 -2.561 3.276 1.00 14.34 H new ATOM 0 HB2 LYS A 99 -10.355 -0.302 1.625 1.00 2.14 H new ATOM 0 HB3 LYS A 99 -9.429 -0.906 2.985 1.00 2.14 H new ATOM 0 HG2 LYS A 99 -8.686 -2.022 0.940 1.00 61.32 H new ATOM 0 HG3 LYS A 99 -9.446 -3.198 1.994 1.00 61.32 H new ATOM 0 HD2 LYS A 99 -11.592 -2.914 0.642 1.00 42.23 H new ATOM 0 HD3 LYS A 99 -10.699 -1.894 -0.468 1.00 42.23 H new ATOM 0 HE2 LYS A 99 -9.200 -3.763 -1.055 1.00 42.35 H new ATOM 0 HE3 LYS A 99 -9.950 -4.789 0.152 1.00 42.35 H new ATOM 0 HZ1 LYS A 99 -10.962 -5.373 -1.853 1.00 72.41 H new ATOM 0 HZ2 LYS A 99 -12.108 -4.364 -1.110 1.00 72.41 H new ATOM 0 HZ3 LYS A 99 -11.134 -3.763 -2.365 1.00 72.41 H new ATOM 1624 N LYS A 100 -12.247 0.489 4.271 1.00 41.23 N ATOM 1625 CA LYS A 100 -12.402 1.393 5.433 1.00 22.22 C ATOM 1626 C LYS A 100 -13.339 0.790 6.513 1.00 13.15 C ATOM 1627 O LYS A 100 -13.166 1.065 7.707 1.00 5.15 O ATOM 1628 CB LYS A 100 -12.913 2.780 4.959 1.00 51.54 C ATOM 1629 CG LYS A 100 -12.913 3.879 6.036 1.00 44.33 C ATOM 1630 CD LYS A 100 -13.311 5.268 5.484 1.00 24.41 C ATOM 1631 CE LYS A 100 -13.203 6.373 6.555 1.00 2.23 C ATOM 1632 NZ LYS A 100 -13.436 7.736 6.002 1.00 41.43 N ATOM 0 H LYS A 100 -12.655 0.856 3.411 1.00 41.23 H new ATOM 0 HA LYS A 100 -11.424 1.518 5.898 1.00 22.22 H new ATOM 0 HB2 LYS A 100 -12.296 3.111 4.124 1.00 51.54 H new ATOM 0 HB3 LYS A 100 -13.928 2.665 4.579 1.00 51.54 H new ATOM 0 HG2 LYS A 100 -13.603 3.599 6.832 1.00 44.33 H new ATOM 0 HG3 LYS A 100 -11.921 3.942 6.482 1.00 44.33 H new ATOM 0 HD2 LYS A 100 -12.669 5.519 4.639 1.00 24.41 H new ATOM 0 HD3 LYS A 100 -14.333 5.228 5.107 1.00 24.41 H new ATOM 0 HE2 LYS A 100 -13.927 6.178 7.346 1.00 2.23 H new ATOM 0 HE3 LYS A 100 -12.214 6.335 7.011 1.00 2.23 H new ATOM 0 HZ1 LYS A 100 -13.047 8.446 6.654 1.00 41.43 H new ATOM 0 HZ2 LYS A 100 -12.966 7.821 5.078 1.00 41.43 H new ATOM 0 HZ3 LYS A 100 -14.457 7.894 5.887 1.00 41.43 H new ATOM 1646 N LYS A 101 -14.299 -0.060 6.078 1.00 30.40 N ATOM 1647 CA LYS A 101 -15.221 -0.796 6.989 1.00 44.03 C ATOM 1648 C LYS A 101 -14.451 -1.787 7.887 1.00 42.43 C ATOM 1649 O LYS A 101 -14.862 -2.073 9.014 1.00 4.22 O ATOM 1650 CB LYS A 101 -16.289 -1.572 6.171 1.00 33.11 C ATOM 1651 CG LYS A 101 -17.204 -0.680 5.310 1.00 3.24 C ATOM 1652 CD LYS A 101 -18.140 -1.486 4.378 1.00 15.52 C ATOM 1653 CE LYS A 101 -19.188 -2.317 5.139 1.00 43.45 C ATOM 1654 NZ LYS A 101 -20.112 -1.460 5.932 1.00 52.23 N ATOM 0 H LYS A 101 -14.460 -0.257 5.090 1.00 30.40 H new ATOM 0 HA LYS A 101 -15.711 -0.057 7.623 1.00 44.03 H new ATOM 0 HB2 LYS A 101 -15.783 -2.286 5.522 1.00 33.11 H new ATOM 0 HB3 LYS A 101 -16.907 -2.149 6.859 1.00 33.11 H new ATOM 0 HG2 LYS A 101 -17.807 -0.051 5.964 1.00 3.24 H new ATOM 0 HG3 LYS A 101 -16.588 -0.013 4.707 1.00 3.24 H new ATOM 0 HD2 LYS A 101 -18.651 -0.798 3.705 1.00 15.52 H new ATOM 0 HD3 LYS A 101 -17.539 -2.151 3.758 1.00 15.52 H new ATOM 0 HE2 LYS A 101 -19.764 -2.911 4.430 1.00 43.45 H new ATOM 0 HE3 LYS A 101 -18.682 -3.017 5.804 1.00 43.45 H new ATOM 0 HZ1 LYS A 101 -20.881 -2.044 6.319 1.00 52.23 H new ATOM 0 HZ2 LYS A 101 -19.589 -1.015 6.713 1.00 52.23 H new ATOM 0 HZ3 LYS A 101 -20.513 -0.721 5.319 1.00 52.23 H new ATOM 1668 N LYS A 102 -13.328 -2.289 7.355 1.00 63.31 N ATOM 1669 CA LYS A 102 -12.455 -3.266 8.038 1.00 40.04 C ATOM 1670 C LYS A 102 -11.491 -2.538 9.003 1.00 51.24 C ATOM 1671 O LYS A 102 -10.890 -3.167 9.878 1.00 21.41 O ATOM 1672 CB LYS A 102 -11.622 -4.082 6.993 1.00 43.25 C ATOM 1673 CG LYS A 102 -12.381 -5.125 6.118 1.00 1.43 C ATOM 1674 CD LYS A 102 -13.609 -4.555 5.386 1.00 12.23 C ATOM 1675 CE LYS A 102 -14.138 -5.460 4.261 1.00 20.34 C ATOM 1676 NZ LYS A 102 -13.276 -5.438 3.046 1.00 12.54 N ATOM 0 H LYS A 102 -12.993 -2.028 6.428 1.00 63.31 H new ATOM 0 HA LYS A 102 -13.087 -3.950 8.604 1.00 40.04 H new ATOM 0 HB2 LYS A 102 -11.136 -3.372 6.323 1.00 43.25 H new ATOM 0 HB3 LYS A 102 -10.831 -4.606 7.530 1.00 43.25 H new ATOM 0 HG2 LYS A 102 -11.691 -5.537 5.382 1.00 1.43 H new ATOM 0 HG3 LYS A 102 -12.701 -5.952 6.752 1.00 1.43 H new ATOM 0 HD2 LYS A 102 -14.406 -4.388 6.110 1.00 12.23 H new ATOM 0 HD3 LYS A 102 -13.351 -3.583 4.966 1.00 12.23 H new ATOM 0 HE2 LYS A 102 -14.212 -6.483 4.629 1.00 20.34 H new ATOM 0 HE3 LYS A 102 -15.146 -5.144 3.991 1.00 20.34 H new ATOM 0 HZ1 LYS A 102 -13.837 -5.722 2.217 1.00 12.54 H new ATOM 0 HZ2 LYS A 102 -12.906 -4.477 2.900 1.00 12.54 H new ATOM 0 HZ3 LYS A 102 -12.483 -6.099 3.171 1.00 12.54 H new ATOM 1690 N GLY A 103 -11.355 -1.206 8.826 1.00 32.32 N ATOM 1691 CA GLY A 103 -10.427 -0.388 9.621 1.00 61.24 C ATOM 1692 C GLY A 103 -9.113 -0.131 8.903 1.00 63.52 C ATOM 1693 O GLY A 103 -8.106 0.200 9.542 1.00 23.42 O ATOM 0 H GLY A 103 -11.883 -0.676 8.133 1.00 32.32 H new ATOM 0 HA2 GLY A 103 -10.900 0.565 9.858 1.00 61.24 H new ATOM 0 HA3 GLY A 103 -10.227 -0.889 10.568 1.00 61.24 H new ATOM 1697 N TYR A 104 -9.120 -0.300 7.569 1.00 24.55 N ATOM 1698 CA TYR A 104 -7.971 0.019 6.712 1.00 75.32 C ATOM 1699 C TYR A 104 -8.057 1.504 6.318 1.00 73.20 C ATOM 1700 O TYR A 104 -9.091 1.940 5.798 1.00 30.23 O ATOM 1701 CB TYR A 104 -7.974 -0.883 5.443 1.00 3.20 C ATOM 1702 CG TYR A 104 -8.017 -2.407 5.715 1.00 31.44 C ATOM 1703 CD1 TYR A 104 -7.315 -2.975 6.778 1.00 11.14 C ATOM 1704 CD2 TYR A 104 -8.741 -3.280 4.886 1.00 55.33 C ATOM 1705 CE1 TYR A 104 -7.334 -4.337 7.004 1.00 31.13 C ATOM 1706 CE2 TYR A 104 -8.753 -4.639 5.112 1.00 1.23 C ATOM 1707 CZ TYR A 104 -8.055 -5.162 6.169 1.00 74.42 C ATOM 1708 OH TYR A 104 -8.060 -6.525 6.377 1.00 32.45 O ATOM 0 H TYR A 104 -9.924 -0.662 7.057 1.00 24.55 H new ATOM 0 HA TYR A 104 -7.042 -0.167 7.251 1.00 75.32 H new ATOM 0 HB2 TYR A 104 -8.834 -0.616 4.829 1.00 3.20 H new ATOM 0 HB3 TYR A 104 -7.083 -0.660 4.857 1.00 3.20 H new ATOM 0 HD1 TYR A 104 -6.745 -2.337 7.437 1.00 11.14 H new ATOM 0 HD2 TYR A 104 -9.300 -2.877 4.054 1.00 55.33 H new ATOM 0 HE1 TYR A 104 -6.784 -4.755 7.834 1.00 31.13 H new ATOM 0 HE2 TYR A 104 -9.312 -5.291 4.457 1.00 1.23 H new ATOM 0 HH TYR A 104 -8.619 -6.957 5.698 1.00 32.45 H new ATOM 1718 N ASP A 105 -6.998 2.280 6.609 1.00 64.31 N ATOM 1719 CA ASP A 105 -6.956 3.723 6.294 1.00 13.20 C ATOM 1720 C ASP A 105 -6.685 3.905 4.799 1.00 53.22 C ATOM 1721 O ASP A 105 -5.549 3.786 4.344 1.00 64.30 O ATOM 1722 CB ASP A 105 -5.873 4.436 7.145 1.00 22.24 C ATOM 1723 CG ASP A 105 -6.096 4.252 8.653 1.00 30.01 C ATOM 1724 OD1 ASP A 105 -6.960 4.954 9.227 1.00 63.52 O ATOM 1725 OD2 ASP A 105 -5.424 3.397 9.272 1.00 5.22 O ATOM 0 H ASP A 105 -6.154 1.931 7.064 1.00 64.31 H new ATOM 0 HA ASP A 105 -7.917 4.175 6.538 1.00 13.20 H new ATOM 0 HB2 ASP A 105 -4.890 4.048 6.876 1.00 22.24 H new ATOM 0 HB3 ASP A 105 -5.871 5.500 6.908 1.00 22.24 H new ATOM 1730 N VAL A 106 -7.741 4.200 4.029 1.00 44.11 N ATOM 1731 CA VAL A 106 -7.656 4.230 2.564 1.00 23.24 C ATOM 1732 C VAL A 106 -7.523 5.673 2.068 1.00 43.13 C ATOM 1733 O VAL A 106 -8.164 6.586 2.589 1.00 30.23 O ATOM 1734 CB VAL A 106 -8.893 3.539 1.881 1.00 64.41 C ATOM 1735 CG1 VAL A 106 -8.647 3.341 0.362 1.00 44.14 C ATOM 1736 CG2 VAL A 106 -9.219 2.199 2.566 1.00 32.33 C ATOM 0 H VAL A 106 -8.666 4.422 4.398 1.00 44.11 H new ATOM 0 HA VAL A 106 -6.768 3.664 2.283 1.00 23.24 H new ATOM 0 HB VAL A 106 -9.755 4.196 1.999 1.00 64.41 H new ATOM 0 HG11 VAL A 106 -9.516 2.861 -0.088 1.00 44.14 H new ATOM 0 HG12 VAL A 106 -8.483 4.310 -0.109 1.00 44.14 H new ATOM 0 HG13 VAL A 106 -7.769 2.712 0.215 1.00 44.14 H new ATOM 0 HG21 VAL A 106 -10.078 1.740 2.077 1.00 32.33 H new ATOM 0 HG22 VAL A 106 -8.359 1.533 2.491 1.00 32.33 H new ATOM 0 HG23 VAL A 106 -9.451 2.374 3.617 1.00 32.33 H new ATOM 1746 N TYR A 107 -6.643 5.859 1.082 1.00 32.50 N ATOM 1747 CA TYR A 107 -6.458 7.117 0.365 1.00 51.33 C ATOM 1748 C TYR A 107 -6.719 6.860 -1.125 1.00 24.41 C ATOM 1749 O TYR A 107 -6.276 5.843 -1.673 1.00 63.11 O ATOM 1750 CB TYR A 107 -5.021 7.636 0.588 1.00 12.21 C ATOM 1751 CG TYR A 107 -4.725 8.082 2.033 1.00 75.44 C ATOM 1752 CD1 TYR A 107 -4.234 7.188 2.988 1.00 52.45 C ATOM 1753 CD2 TYR A 107 -4.946 9.401 2.439 1.00 22.35 C ATOM 1754 CE1 TYR A 107 -3.975 7.595 4.285 1.00 13.41 C ATOM 1755 CE2 TYR A 107 -4.688 9.810 3.732 1.00 22.35 C ATOM 1756 CZ TYR A 107 -4.203 8.908 4.650 1.00 52.03 C ATOM 1757 OH TYR A 107 -3.952 9.318 5.946 1.00 14.22 O ATOM 0 H TYR A 107 -6.024 5.118 0.753 1.00 32.50 H new ATOM 0 HA TYR A 107 -7.151 7.875 0.732 1.00 51.33 H new ATOM 0 HB2 TYR A 107 -4.317 6.852 0.311 1.00 12.21 H new ATOM 0 HB3 TYR A 107 -4.842 8.476 -0.083 1.00 12.21 H new ATOM 0 HD1 TYR A 107 -4.053 6.160 2.709 1.00 52.45 H new ATOM 0 HD2 TYR A 107 -5.327 10.116 1.725 1.00 22.35 H new ATOM 0 HE1 TYR A 107 -3.596 6.889 5.009 1.00 13.41 H new ATOM 0 HE2 TYR A 107 -4.866 10.835 4.022 1.00 22.35 H new ATOM 0 HH TYR A 107 -4.164 10.271 6.035 1.00 14.22 H new ATOM 1767 N THR A 108 -7.440 7.777 -1.774 1.00 42.42 N ATOM 1768 CA THR A 108 -7.806 7.664 -3.194 1.00 4.01 C ATOM 1769 C THR A 108 -6.994 8.673 -4.020 1.00 50.14 C ATOM 1770 O THR A 108 -6.698 9.775 -3.546 1.00 53.20 O ATOM 1771 CB THR A 108 -9.339 7.903 -3.381 1.00 74.20 C ATOM 1772 OG1 THR A 108 -9.722 9.172 -2.819 1.00 40.10 O ATOM 1773 CG2 THR A 108 -10.168 6.784 -2.721 1.00 11.54 C ATOM 0 H THR A 108 -7.790 8.625 -1.329 1.00 42.42 H new ATOM 0 HA THR A 108 -7.575 6.658 -3.544 1.00 4.01 H new ATOM 0 HB THR A 108 -9.541 7.900 -4.452 1.00 74.20 H new ATOM 0 HG1 THR A 108 -10.684 9.309 -2.945 1.00 40.10 H new ATOM 0 HG21 THR A 108 -11.230 6.981 -2.870 1.00 11.54 H new ATOM 0 HG22 THR A 108 -9.910 5.826 -3.172 1.00 11.54 H new ATOM 0 HG23 THR A 108 -9.951 6.752 -1.653 1.00 11.54 H new ATOM 1781 N SER A 109 -6.631 8.270 -5.244 1.00 35.00 N ATOM 1782 CA SER A 109 -5.793 9.069 -6.146 1.00 4.35 C ATOM 1783 C SER A 109 -6.051 8.645 -7.586 1.00 32.24 C ATOM 1784 O SER A 109 -6.258 7.463 -7.851 1.00 72.44 O ATOM 1785 CB SER A 109 -4.300 8.885 -5.776 1.00 2.22 C ATOM 1786 OG SER A 109 -3.954 7.519 -5.636 1.00 73.11 O ATOM 0 H SER A 109 -6.913 7.373 -5.639 1.00 35.00 H new ATOM 0 HA SER A 109 -6.044 10.125 -6.043 1.00 4.35 H new ATOM 0 HB2 SER A 109 -3.677 9.340 -6.546 1.00 2.22 H new ATOM 0 HB3 SER A 109 -4.090 9.410 -4.844 1.00 2.22 H new ATOM 0 HG SER A 109 -4.767 6.972 -5.655 1.00 73.11 H new ATOM 1792 N ARG A 110 -6.065 9.611 -8.515 1.00 23.22 N ATOM 1793 CA ARG A 110 -6.240 9.314 -9.948 1.00 62.11 C ATOM 1794 C ARG A 110 -4.870 9.153 -10.614 1.00 34.33 C ATOM 1795 O ARG A 110 -4.731 8.362 -11.552 1.00 31.04 O ATOM 1796 CB ARG A 110 -7.077 10.401 -10.696 1.00 72.51 C ATOM 1797 CG ARG A 110 -8.535 10.607 -10.182 1.00 54.24 C ATOM 1798 CD ARG A 110 -8.606 11.332 -8.822 1.00 24.32 C ATOM 1799 NE ARG A 110 -9.975 11.579 -8.350 1.00 74.34 N ATOM 1800 CZ ARG A 110 -10.286 12.400 -7.332 1.00 44.25 C ATOM 1801 NH1 ARG A 110 -9.338 13.057 -6.662 1.00 71.25 N ATOM 1802 NH2 ARG A 110 -11.546 12.562 -6.980 1.00 11.05 N ATOM 0 H ARG A 110 -5.958 10.603 -8.303 1.00 23.22 H new ATOM 0 HA ARG A 110 -6.802 8.382 -10.017 1.00 62.11 H new ATOM 0 HB2 ARG A 110 -6.549 11.352 -10.625 1.00 72.51 H new ATOM 0 HB3 ARG A 110 -7.118 10.137 -11.753 1.00 72.51 H new ATOM 0 HG2 ARG A 110 -9.096 11.180 -10.921 1.00 54.24 H new ATOM 0 HG3 ARG A 110 -9.022 9.636 -10.094 1.00 54.24 H new ATOM 0 HD2 ARG A 110 -8.077 10.738 -8.077 1.00 24.32 H new ATOM 0 HD3 ARG A 110 -8.082 12.285 -8.901 1.00 24.32 H new ATOM 0 HE ARG A 110 -10.738 11.097 -8.825 1.00 74.34 H new ATOM 0 HH11 ARG A 110 -8.358 12.941 -6.919 1.00 71.25 H new ATOM 0 HH12 ARG A 110 -9.593 13.676 -5.892 1.00 71.25 H new ATOM 0 HH21 ARG A 110 -12.283 12.065 -7.480 1.00 11.05 H new ATOM 0 HH22 ARG A 110 -11.784 13.185 -6.208 1.00 11.05 H new ATOM 1816 N ASN A 111 -3.846 9.884 -10.102 1.00 50.53 N ATOM 1817 CA ASN A 111 -2.516 9.954 -10.756 1.00 12.35 C ATOM 1818 C ASN A 111 -1.365 9.880 -9.729 1.00 44.15 C ATOM 1819 O ASN A 111 -1.606 9.837 -8.520 1.00 22.30 O ATOM 1820 CB ASN A 111 -2.411 11.244 -11.621 1.00 10.02 C ATOM 1821 CG ASN A 111 -2.296 12.534 -10.810 1.00 32.41 C ATOM 1822 OD1 ASN A 111 -1.211 12.999 -10.502 1.00 73.23 O ATOM 1823 ND2 ASN A 111 -3.409 13.107 -10.439 1.00 30.00 N ATOM 0 H ASN A 111 -3.917 10.430 -9.243 1.00 50.53 H new ATOM 0 HA ASN A 111 -2.417 9.086 -11.407 1.00 12.35 H new ATOM 0 HB2 ASN A 111 -1.543 11.160 -12.274 1.00 10.02 H new ATOM 0 HB3 ASN A 111 -3.289 11.309 -12.264 1.00 10.02 H new ATOM 0 HD21 ASN A 111 -3.382 13.960 -9.881 1.00 30.00 H new ATOM 0 HD22 ASN A 111 -4.306 12.701 -10.707 1.00 30.00 H new ATOM 1830 N GLU A 112 -0.117 9.906 -10.256 1.00 24.14 N ATOM 1831 CA GLU A 112 1.132 9.722 -9.487 1.00 73.42 C ATOM 1832 C GLU A 112 1.372 10.854 -8.473 1.00 72.53 C ATOM 1833 O GLU A 112 1.895 10.595 -7.390 1.00 11.45 O ATOM 1834 CB GLU A 112 2.334 9.580 -10.476 1.00 62.25 C ATOM 1835 CG GLU A 112 3.751 9.360 -9.837 1.00 13.32 C ATOM 1836 CD GLU A 112 4.664 10.614 -9.795 1.00 12.23 C ATOM 1837 OE1 GLU A 112 4.156 11.760 -9.734 1.00 20.34 O ATOM 1838 OE2 GLU A 112 5.907 10.458 -9.815 1.00 15.22 O ATOM 0 H GLU A 112 0.050 10.059 -11.251 1.00 24.14 H new ATOM 0 HA GLU A 112 1.037 8.808 -8.900 1.00 73.42 H new ATOM 0 HB2 GLU A 112 2.128 8.743 -11.144 1.00 62.25 H new ATOM 0 HB3 GLU A 112 2.375 10.478 -11.093 1.00 62.25 H new ATOM 0 HG2 GLU A 112 3.619 8.993 -8.819 1.00 13.32 H new ATOM 0 HG3 GLU A 112 4.264 8.576 -10.394 1.00 13.32 H new ATOM 1845 N ASP A 113 0.994 12.109 -8.828 1.00 2.50 N ATOM 1846 CA ASP A 113 1.155 13.274 -7.922 1.00 23.30 C ATOM 1847 C ASP A 113 0.341 13.071 -6.640 1.00 63.10 C ATOM 1848 O ASP A 113 0.884 13.155 -5.538 1.00 32.23 O ATOM 1849 CB ASP A 113 0.725 14.609 -8.589 1.00 32.31 C ATOM 1850 CG ASP A 113 1.622 15.014 -9.766 1.00 75.25 C ATOM 1851 OD1 ASP A 113 1.367 14.576 -10.903 1.00 43.50 O ATOM 1852 OD2 ASP A 113 2.587 15.781 -9.556 1.00 52.12 O ATOM 0 H ASP A 113 0.578 12.339 -9.731 1.00 2.50 H new ATOM 0 HA ASP A 113 2.217 13.341 -7.687 1.00 23.30 H new ATOM 0 HB2 ASP A 113 -0.303 14.518 -8.939 1.00 32.31 H new ATOM 0 HB3 ASP A 113 0.738 15.402 -7.841 1.00 32.31 H new ATOM 1857 N GLU A 114 -0.959 12.772 -6.824 1.00 3.21 N ATOM 1858 CA GLU A 114 -1.905 12.512 -5.725 1.00 33.11 C ATOM 1859 C GLU A 114 -1.419 11.343 -4.853 1.00 11.22 C ATOM 1860 O GLU A 114 -1.362 11.449 -3.624 1.00 12.12 O ATOM 1861 CB GLU A 114 -3.304 12.193 -6.297 1.00 72.53 C ATOM 1862 CG GLU A 114 -3.983 13.347 -7.044 1.00 44.42 C ATOM 1863 CD GLU A 114 -5.381 12.949 -7.545 1.00 14.21 C ATOM 1864 OE1 GLU A 114 -6.310 12.840 -6.716 1.00 40.54 O ATOM 1865 OE2 GLU A 114 -5.543 12.693 -8.749 1.00 64.31 O ATOM 0 H GLU A 114 -1.385 12.704 -7.748 1.00 3.21 H new ATOM 0 HA GLU A 114 -1.965 13.406 -5.104 1.00 33.11 H new ATOM 0 HB2 GLU A 114 -3.217 11.344 -6.975 1.00 72.53 H new ATOM 0 HB3 GLU A 114 -3.951 11.881 -5.477 1.00 72.53 H new ATOM 0 HG2 GLU A 114 -4.064 14.211 -6.384 1.00 44.42 H new ATOM 0 HG3 GLU A 114 -3.365 13.648 -7.889 1.00 44.42 H new ATOM 1872 N ALA A 115 -1.022 10.262 -5.544 1.00 21.04 N ATOM 1873 CA ALA A 115 -0.548 9.011 -4.939 1.00 3.00 C ATOM 1874 C ALA A 115 0.671 9.240 -4.037 1.00 4.04 C ATOM 1875 O ALA A 115 0.719 8.743 -2.914 1.00 34.13 O ATOM 1876 CB ALA A 115 -0.192 8.032 -6.058 1.00 65.21 C ATOM 0 H ALA A 115 -1.023 10.235 -6.564 1.00 21.04 H new ATOM 0 HA ALA A 115 -1.342 8.604 -4.313 1.00 3.00 H new ATOM 0 HB1 ALA A 115 0.162 7.097 -5.624 1.00 65.21 H new ATOM 0 HB2 ALA A 115 -1.075 7.838 -6.667 1.00 65.21 H new ATOM 0 HB3 ALA A 115 0.591 8.462 -6.682 1.00 65.21 H new ATOM 1882 N LYS A 116 1.616 10.046 -4.553 1.00 62.21 N ATOM 1883 CA LYS A 116 2.897 10.364 -3.897 1.00 20.21 C ATOM 1884 C LYS A 116 2.680 11.128 -2.581 1.00 51.44 C ATOM 1885 O LYS A 116 3.393 10.900 -1.589 1.00 55.54 O ATOM 1886 CB LYS A 116 3.749 11.203 -4.884 1.00 22.21 C ATOM 1887 CG LYS A 116 5.111 11.685 -4.346 1.00 20.13 C ATOM 1888 CD LYS A 116 5.942 12.415 -5.426 1.00 72.11 C ATOM 1889 CE LYS A 116 6.268 11.516 -6.635 1.00 63.34 C ATOM 1890 NZ LYS A 116 7.127 12.207 -7.638 1.00 3.14 N ATOM 0 H LYS A 116 1.508 10.505 -5.458 1.00 62.21 H new ATOM 0 HA LYS A 116 3.415 9.439 -3.643 1.00 20.21 H new ATOM 0 HB2 LYS A 116 3.923 10.609 -5.781 1.00 22.21 H new ATOM 0 HB3 LYS A 116 3.169 12.075 -5.186 1.00 22.21 H new ATOM 0 HG2 LYS A 116 4.949 12.354 -3.501 1.00 20.13 H new ATOM 0 HG3 LYS A 116 5.675 10.830 -3.973 1.00 20.13 H new ATOM 0 HD2 LYS A 116 5.394 13.293 -5.769 1.00 72.11 H new ATOM 0 HD3 LYS A 116 6.872 12.772 -4.983 1.00 72.11 H new ATOM 0 HE2 LYS A 116 6.772 10.614 -6.289 1.00 63.34 H new ATOM 0 HE3 LYS A 116 5.340 11.200 -7.111 1.00 63.34 H new ATOM 0 HZ1 LYS A 116 6.944 11.812 -8.583 1.00 3.14 H new ATOM 0 HZ2 LYS A 116 6.909 13.224 -7.640 1.00 3.14 H new ATOM 0 HZ3 LYS A 116 8.128 12.068 -7.392 1.00 3.14 H new ATOM 1904 N LYS A 117 1.669 12.013 -2.588 1.00 2.54 N ATOM 1905 CA LYS A 117 1.296 12.827 -1.421 1.00 2.33 C ATOM 1906 C LYS A 117 0.771 11.927 -0.301 1.00 31.32 C ATOM 1907 O LYS A 117 1.285 11.955 0.818 1.00 31.31 O ATOM 1908 CB LYS A 117 0.234 13.876 -1.838 1.00 25.23 C ATOM 1909 CG LYS A 117 0.744 14.842 -2.921 1.00 33.55 C ATOM 1910 CD LYS A 117 -0.339 15.788 -3.471 1.00 54.24 C ATOM 1911 CE LYS A 117 0.202 16.718 -4.568 1.00 11.20 C ATOM 1912 NZ LYS A 117 -0.839 17.654 -5.072 1.00 74.55 N ATOM 0 H LYS A 117 1.086 12.184 -3.407 1.00 2.54 H new ATOM 0 HA LYS A 117 2.174 13.354 -1.047 1.00 2.33 H new ATOM 0 HB2 LYS A 117 -0.654 13.361 -2.205 1.00 25.23 H new ATOM 0 HB3 LYS A 117 -0.069 14.448 -0.961 1.00 25.23 H new ATOM 0 HG2 LYS A 117 1.558 15.438 -2.509 1.00 33.55 H new ATOM 0 HG3 LYS A 117 1.159 14.262 -3.745 1.00 33.55 H new ATOM 0 HD2 LYS A 117 -1.164 15.199 -3.872 1.00 54.24 H new ATOM 0 HD3 LYS A 117 -0.743 16.388 -2.655 1.00 54.24 H new ATOM 0 HE2 LYS A 117 1.043 17.289 -4.176 1.00 11.20 H new ATOM 0 HE3 LYS A 117 0.582 16.119 -5.396 1.00 11.20 H new ATOM 0 HZ1 LYS A 117 -0.431 18.262 -5.810 1.00 74.55 H new ATOM 0 HZ2 LYS A 117 -1.631 17.110 -5.470 1.00 74.55 H new ATOM 0 HZ3 LYS A 117 -1.184 18.244 -4.288 1.00 74.55 H new ATOM 1926 N LYS A 118 -0.201 11.071 -0.662 1.00 32.33 N ATOM 1927 CA LYS A 118 -0.856 10.134 0.273 1.00 50.55 C ATOM 1928 C LYS A 118 0.128 9.065 0.778 1.00 42.01 C ATOM 1929 O LYS A 118 -0.019 8.537 1.887 1.00 72.21 O ATOM 1930 CB LYS A 118 -2.075 9.461 -0.415 1.00 21.12 C ATOM 1931 CG LYS A 118 -3.068 10.457 -1.067 1.00 60.14 C ATOM 1932 CD LYS A 118 -3.514 11.585 -0.102 1.00 43.54 C ATOM 1933 CE LYS A 118 -4.311 12.694 -0.799 1.00 41.31 C ATOM 1934 NZ LYS A 118 -4.517 13.860 0.102 1.00 44.41 N ATOM 0 H LYS A 118 -0.558 11.008 -1.616 1.00 32.33 H new ATOM 0 HA LYS A 118 -1.200 10.704 1.136 1.00 50.55 H new ATOM 0 HB2 LYS A 118 -1.713 8.774 -1.180 1.00 21.12 H new ATOM 0 HB3 LYS A 118 -2.610 8.863 0.323 1.00 21.12 H new ATOM 0 HG2 LYS A 118 -2.603 10.902 -1.947 1.00 60.14 H new ATOM 0 HG3 LYS A 118 -3.947 9.912 -1.412 1.00 60.14 H new ATOM 0 HD2 LYS A 118 -4.122 11.155 0.694 1.00 43.54 H new ATOM 0 HD3 LYS A 118 -2.633 12.021 0.370 1.00 43.54 H new ATOM 0 HE2 LYS A 118 -3.783 13.015 -1.697 1.00 41.31 H new ATOM 0 HE3 LYS A 118 -5.277 12.304 -1.119 1.00 41.31 H new ATOM 0 HZ1 LYS A 118 -5.059 14.593 -0.398 1.00 44.41 H new ATOM 0 HZ2 LYS A 118 -5.042 13.557 0.947 1.00 44.41 H new ATOM 0 HZ3 LYS A 118 -3.594 14.246 0.387 1.00 44.41 H new ATOM 1948 N LEU A 119 1.130 8.777 -0.065 1.00 23.11 N ATOM 1949 CA LEU A 119 2.165 7.775 0.195 1.00 22.44 C ATOM 1950 C LEU A 119 3.096 8.234 1.317 1.00 42.11 C ATOM 1951 O LEU A 119 3.400 7.457 2.227 1.00 62.42 O ATOM 1952 CB LEU A 119 2.948 7.503 -1.108 1.00 74.14 C ATOM 1953 CG LEU A 119 4.024 6.384 -1.071 1.00 42.10 C ATOM 1954 CD1 LEU A 119 3.447 5.050 -0.549 1.00 21.52 C ATOM 1955 CD2 LEU A 119 4.640 6.217 -2.469 1.00 11.31 C ATOM 0 H LEU A 119 1.243 9.246 -0.964 1.00 23.11 H new ATOM 0 HA LEU A 119 1.696 6.848 0.524 1.00 22.44 H new ATOM 0 HB2 LEU A 119 2.229 7.254 -1.888 1.00 74.14 H new ATOM 0 HB3 LEU A 119 3.436 8.430 -1.408 1.00 74.14 H new ATOM 0 HG LEU A 119 4.806 6.680 -0.372 1.00 42.10 H new ATOM 0 HD11 LEU A 119 4.232 4.293 -0.539 1.00 21.52 H new ATOM 0 HD12 LEU A 119 3.064 5.190 0.462 1.00 21.52 H new ATOM 0 HD13 LEU A 119 2.637 4.724 -1.201 1.00 21.52 H new ATOM 0 HD21 LEU A 119 5.395 5.431 -2.442 1.00 11.31 H new ATOM 0 HD22 LEU A 119 3.860 5.946 -3.180 1.00 11.31 H new ATOM 0 HD23 LEU A 119 5.103 7.155 -2.777 1.00 11.31 H new ATOM 1967 N LYS A 120 3.521 9.508 1.260 1.00 53.14 N ATOM 1968 CA LYS A 120 4.363 10.099 2.311 1.00 12.34 C ATOM 1969 C LYS A 120 3.551 10.331 3.594 1.00 43.24 C ATOM 1970 O LYS A 120 4.076 10.141 4.680 1.00 1.23 O ATOM 1971 CB LYS A 120 5.046 11.402 1.830 1.00 3.22 C ATOM 1972 CG LYS A 120 6.128 11.156 0.757 1.00 43.03 C ATOM 1973 CD LYS A 120 6.966 12.413 0.434 1.00 31.23 C ATOM 1974 CE LYS A 120 8.118 12.105 -0.530 1.00 72.42 C ATOM 1975 NZ LYS A 120 8.947 13.303 -0.847 1.00 12.24 N ATOM 0 H LYS A 120 3.295 10.147 0.497 1.00 53.14 H new ATOM 0 HA LYS A 120 5.157 9.388 2.540 1.00 12.34 H new ATOM 0 HB2 LYS A 120 4.289 12.075 1.427 1.00 3.22 H new ATOM 0 HB3 LYS A 120 5.498 11.906 2.685 1.00 3.22 H new ATOM 0 HG2 LYS A 120 6.793 10.362 1.097 1.00 43.03 H new ATOM 0 HG3 LYS A 120 5.650 10.802 -0.156 1.00 43.03 H new ATOM 0 HD2 LYS A 120 6.322 13.175 -0.004 1.00 31.23 H new ATOM 0 HD3 LYS A 120 7.368 12.828 1.358 1.00 31.23 H new ATOM 0 HE2 LYS A 120 8.754 11.335 -0.093 1.00 72.42 H new ATOM 0 HE3 LYS A 120 7.711 11.696 -1.455 1.00 72.42 H new ATOM 0 HZ1 LYS A 120 9.551 13.100 -1.669 1.00 12.24 H new ATOM 0 HZ2 LYS A 120 8.325 14.108 -1.065 1.00 12.24 H new ATOM 0 HZ3 LYS A 120 9.544 13.539 -0.029 1.00 12.24 H new ATOM 1989 N GLU A 121 2.256 10.694 3.444 1.00 32.42 N ATOM 1990 CA GLU A 121 1.301 10.790 4.578 1.00 31.32 C ATOM 1991 C GLU A 121 1.205 9.446 5.340 1.00 50.34 C ATOM 1992 O GLU A 121 1.057 9.422 6.562 1.00 31.35 O ATOM 1993 CB GLU A 121 -0.103 11.225 4.068 1.00 21.21 C ATOM 1994 CG GLU A 121 -0.161 12.667 3.521 1.00 23.12 C ATOM 1995 CD GLU A 121 -1.499 13.032 2.849 1.00 24.22 C ATOM 1996 OE1 GLU A 121 -2.563 12.740 3.437 1.00 21.11 O ATOM 1997 OE2 GLU A 121 -1.498 13.625 1.739 1.00 30.41 O ATOM 0 H GLU A 121 1.844 10.928 2.541 1.00 32.42 H new ATOM 0 HA GLU A 121 1.673 11.545 5.270 1.00 31.32 H new ATOM 0 HB2 GLU A 121 -0.421 10.538 3.283 1.00 21.21 H new ATOM 0 HB3 GLU A 121 -0.819 11.129 4.884 1.00 21.21 H new ATOM 0 HG2 GLU A 121 0.024 13.362 4.340 1.00 23.12 H new ATOM 0 HG3 GLU A 121 0.645 12.803 2.800 1.00 23.12 H new ATOM 2004 N ALA A 122 1.321 8.344 4.584 1.00 34.32 N ATOM 2005 CA ALA A 122 1.326 6.972 5.115 1.00 64.02 C ATOM 2006 C ALA A 122 2.677 6.618 5.788 1.00 21.14 C ATOM 2007 O ALA A 122 2.700 5.932 6.818 1.00 5.52 O ATOM 2008 CB ALA A 122 0.990 5.994 3.983 1.00 24.45 C ATOM 0 H ALA A 122 1.416 8.382 3.569 1.00 34.32 H new ATOM 0 HA ALA A 122 0.567 6.894 5.893 1.00 64.02 H new ATOM 0 HB1 ALA A 122 0.992 4.975 4.370 1.00 24.45 H new ATOM 0 HB2 ALA A 122 0.004 6.228 3.581 1.00 24.45 H new ATOM 0 HB3 ALA A 122 1.735 6.083 3.192 1.00 24.45 H new ATOM 2014 N LEU A 123 3.795 7.101 5.199 1.00 2.25 N ATOM 2015 CA LEU A 123 5.167 6.894 5.739 1.00 2.44 C ATOM 2016 C LEU A 123 5.367 7.670 7.067 1.00 12.23 C ATOM 2017 O LEU A 123 6.105 7.229 7.955 1.00 52.35 O ATOM 2018 CB LEU A 123 6.229 7.337 4.685 1.00 51.40 C ATOM 2019 CG LEU A 123 6.290 6.490 3.365 1.00 72.15 C ATOM 2020 CD1 LEU A 123 7.200 7.150 2.304 1.00 61.42 C ATOM 2021 CD2 LEU A 123 6.740 5.046 3.653 1.00 5.43 C ATOM 0 H LEU A 123 3.776 7.645 4.337 1.00 2.25 H new ATOM 0 HA LEU A 123 5.296 5.832 5.948 1.00 2.44 H new ATOM 0 HB2 LEU A 123 6.034 8.375 4.417 1.00 51.40 H new ATOM 0 HB3 LEU A 123 7.212 7.309 5.156 1.00 51.40 H new ATOM 0 HG LEU A 123 5.280 6.456 2.955 1.00 72.15 H new ATOM 0 HD11 LEU A 123 7.217 6.534 1.405 1.00 61.42 H new ATOM 0 HD12 LEU A 123 6.814 8.140 2.059 1.00 61.42 H new ATOM 0 HD13 LEU A 123 8.212 7.242 2.699 1.00 61.42 H new ATOM 0 HD21 LEU A 123 6.773 4.482 2.721 1.00 5.43 H new ATOM 0 HD22 LEU A 123 7.731 5.057 4.106 1.00 5.43 H new ATOM 0 HD23 LEU A 123 6.034 4.575 4.337 1.00 5.43 H new ATOM 2033 N GLU A 124 4.676 8.820 7.182 1.00 43.04 N ATOM 2034 CA GLU A 124 4.719 9.699 8.373 1.00 22.45 C ATOM 2035 C GLU A 124 4.071 9.040 9.610 1.00 41.22 C ATOM 2036 O GLU A 124 4.423 9.369 10.747 1.00 11.21 O ATOM 2037 CB GLU A 124 4.063 11.075 8.057 1.00 54.34 C ATOM 2038 CG GLU A 124 4.861 11.926 7.046 1.00 13.52 C ATOM 2039 CD GLU A 124 4.187 13.257 6.687 1.00 10.44 C ATOM 2040 OE1 GLU A 124 3.268 13.256 5.847 1.00 73.14 O ATOM 2041 OE2 GLU A 124 4.577 14.311 7.239 1.00 13.14 O ATOM 0 H GLU A 124 4.065 9.171 6.445 1.00 43.04 H new ATOM 0 HA GLU A 124 5.767 9.863 8.621 1.00 22.45 H new ATOM 0 HB2 GLU A 124 3.060 10.908 7.665 1.00 54.34 H new ATOM 0 HB3 GLU A 124 3.953 11.637 8.985 1.00 54.34 H new ATOM 0 HG2 GLU A 124 5.850 12.130 7.458 1.00 13.52 H new ATOM 0 HG3 GLU A 124 5.008 11.347 6.134 1.00 13.52 H new ATOM 2048 N LYS A 125 3.121 8.111 9.366 1.00 15.20 N ATOM 2049 CA LYS A 125 2.374 7.400 10.436 1.00 72.02 C ATOM 2050 C LYS A 125 3.284 6.463 11.255 1.00 5.22 C ATOM 2051 O LYS A 125 3.071 6.271 12.457 1.00 75.42 O ATOM 2052 CB LYS A 125 1.218 6.579 9.815 1.00 14.35 C ATOM 2053 CG LYS A 125 0.233 7.421 8.990 1.00 22.05 C ATOM 2054 CD LYS A 125 -0.896 6.573 8.380 1.00 61.24 C ATOM 2055 CE LYS A 125 -1.858 7.396 7.520 1.00 62.21 C ATOM 2056 NZ LYS A 125 -2.559 8.443 8.301 1.00 52.00 N ATOM 0 H LYS A 125 2.848 7.831 8.424 1.00 15.20 H new ATOM 0 HA LYS A 125 1.977 8.157 11.113 1.00 72.02 H new ATOM 0 HB2 LYS A 125 1.639 5.801 9.178 1.00 14.35 H new ATOM 0 HB3 LYS A 125 0.672 6.076 10.613 1.00 14.35 H new ATOM 0 HG2 LYS A 125 -0.200 8.194 9.625 1.00 22.05 H new ATOM 0 HG3 LYS A 125 0.774 7.929 8.192 1.00 22.05 H new ATOM 0 HD2 LYS A 125 -0.461 5.780 7.772 1.00 61.24 H new ATOM 0 HD3 LYS A 125 -1.455 6.090 9.181 1.00 61.24 H new ATOM 0 HE2 LYS A 125 -1.304 7.863 6.706 1.00 62.21 H new ATOM 0 HE3 LYS A 125 -2.593 6.732 7.065 1.00 62.21 H new ATOM 0 HZ1 LYS A 125 -3.236 8.939 7.687 1.00 52.00 H new ATOM 0 HZ2 LYS A 125 -3.069 8.002 9.093 1.00 52.00 H new ATOM 0 HZ3 LYS A 125 -1.865 9.123 8.672 1.00 52.00 H new ATOM 2070 N SER A 126 4.284 5.874 10.584 1.00 32.33 N ATOM 2071 CA SER A 126 5.302 5.018 11.226 1.00 33.35 C ATOM 2072 C SER A 126 6.435 5.858 11.825 1.00 30.10 C ATOM 2073 O SER A 126 7.154 5.405 12.722 1.00 62.14 O ATOM 2074 CB SER A 126 5.866 4.034 10.182 1.00 15.40 C ATOM 2075 OG SER A 126 6.298 4.711 9.012 1.00 72.24 O ATOM 0 H SER A 126 4.413 5.976 9.577 1.00 32.33 H new ATOM 0 HA SER A 126 4.832 4.466 12.040 1.00 33.35 H new ATOM 0 HB2 SER A 126 6.701 3.482 10.614 1.00 15.40 H new ATOM 0 HB3 SER A 126 5.102 3.302 9.920 1.00 15.40 H new ATOM 0 HG SER A 126 6.137 5.672 9.112 1.00 72.24 H new ATOM 2081 N GLY A 127 6.575 7.084 11.308 1.00 32.42 N ATOM 2082 CA GLY A 127 7.693 7.956 11.623 1.00 64.14 C ATOM 2083 C GLY A 127 8.288 8.478 10.337 1.00 45.53 C ATOM 2084 O GLY A 127 7.638 9.262 9.651 1.00 45.32 O ATOM 0 H GLY A 127 5.907 7.494 10.656 1.00 32.42 H new ATOM 0 HA2 GLY A 127 7.359 8.785 12.247 1.00 64.14 H new ATOM 0 HA3 GLY A 127 8.446 7.411 12.192 1.00 64.14 H new ATOM 2088 N SER A 128 9.518 8.028 10.021 1.00 22.04 N ATOM 2089 CA SER A 128 10.196 8.263 8.725 1.00 44.23 C ATOM 2090 C SER A 128 10.306 9.780 8.374 1.00 71.21 C ATOM 2091 O SER A 128 10.387 10.162 7.203 1.00 70.43 O ATOM 2092 CB SER A 128 9.471 7.447 7.612 1.00 45.33 C ATOM 2093 OG SER A 128 10.266 7.319 6.443 1.00 1.23 O ATOM 0 H SER A 128 10.082 7.480 10.671 1.00 22.04 H new ATOM 0 HA SER A 128 11.225 7.913 8.802 1.00 44.23 H new ATOM 0 HB2 SER A 128 9.223 6.456 7.992 1.00 45.33 H new ATOM 0 HB3 SER A 128 8.530 7.936 7.359 1.00 45.33 H new ATOM 0 HG SER A 128 9.777 6.800 5.770 1.00 1.23 H new ATOM 2099 N LEU A 129 10.360 10.627 9.422 1.00 64.24 N ATOM 2100 CA LEU A 129 10.382 12.103 9.293 1.00 20.24 C ATOM 2101 C LEU A 129 11.821 12.630 9.145 1.00 53.31 C ATOM 2102 O LEU A 129 12.793 11.912 9.398 1.00 52.21 O ATOM 2103 CB LEU A 129 9.706 12.752 10.538 1.00 71.42 C ATOM 2104 CG LEU A 129 8.203 12.392 10.761 1.00 22.23 C ATOM 2105 CD1 LEU A 129 7.657 12.999 12.070 1.00 30.23 C ATOM 2106 CD2 LEU A 129 7.347 12.814 9.552 1.00 21.20 C ATOM 0 H LEU A 129 10.390 10.306 10.390 1.00 64.24 H new ATOM 0 HA LEU A 129 9.829 12.373 8.394 1.00 20.24 H new ATOM 0 HB2 LEU A 129 10.266 12.459 11.426 1.00 71.42 H new ATOM 0 HB3 LEU A 129 9.791 13.835 10.451 1.00 71.42 H new ATOM 0 HG LEU A 129 8.139 11.308 10.857 1.00 22.23 H new ATOM 0 HD11 LEU A 129 6.609 12.726 12.188 1.00 30.23 H new ATOM 0 HD12 LEU A 129 8.229 12.616 12.915 1.00 30.23 H new ATOM 0 HD13 LEU A 129 7.747 14.085 12.033 1.00 30.23 H new ATOM 0 HD21 LEU A 129 6.305 12.551 9.735 1.00 21.20 H new ATOM 0 HD22 LEU A 129 7.429 13.891 9.406 1.00 21.20 H new ATOM 0 HD23 LEU A 129 7.700 12.299 8.659 1.00 21.20 H new ATOM 2118 N GLU A 130 11.931 13.908 8.760 1.00 52.41 N ATOM 2119 CA GLU A 130 13.202 14.646 8.693 1.00 34.44 C ATOM 2120 C GLU A 130 13.075 15.905 9.567 1.00 51.43 C ATOM 2121 O GLU A 130 12.466 16.891 9.145 1.00 2.22 O ATOM 2122 CB GLU A 130 13.553 15.030 7.220 1.00 44.42 C ATOM 2123 CG GLU A 130 13.849 13.832 6.299 1.00 74.21 C ATOM 2124 CD GLU A 130 14.243 14.252 4.874 1.00 45.51 C ATOM 2125 OE1 GLU A 130 15.409 14.651 4.660 1.00 14.41 O ATOM 2126 OE2 GLU A 130 13.401 14.178 3.958 1.00 24.23 O ATOM 0 H GLU A 130 11.126 14.469 8.481 1.00 52.41 H new ATOM 0 HA GLU A 130 14.011 14.015 9.062 1.00 34.44 H new ATOM 0 HB2 GLU A 130 12.724 15.599 6.799 1.00 44.42 H new ATOM 0 HB3 GLU A 130 14.421 15.689 7.227 1.00 44.42 H new ATOM 0 HG2 GLU A 130 14.654 13.238 6.732 1.00 74.21 H new ATOM 0 HG3 GLU A 130 12.969 13.191 6.252 1.00 74.21 H new ATOM 2133 N HIS A 131 13.601 15.828 10.806 1.00 42.01 N ATOM 2134 CA HIS A 131 13.670 16.966 11.736 1.00 52.34 C ATOM 2135 C HIS A 131 14.675 17.997 11.178 1.00 41.13 C ATOM 2136 O HIS A 131 15.886 17.876 11.396 1.00 31.10 O ATOM 2137 CB HIS A 131 14.087 16.454 13.156 1.00 73.22 C ATOM 2138 CG HIS A 131 14.156 17.502 14.247 1.00 55.01 C ATOM 2139 ND1 HIS A 131 13.115 17.688 15.127 1.00 32.42 N ATOM 2140 CD2 HIS A 131 15.165 18.348 14.585 1.00 41.54 C ATOM 2141 CE1 HIS A 131 13.513 18.617 15.972 1.00 4.35 C ATOM 2142 NE2 HIS A 131 14.749 19.050 15.683 1.00 4.24 N ATOM 0 H HIS A 131 13.992 14.967 11.189 1.00 42.01 H new ATOM 0 HA HIS A 131 12.698 17.449 11.833 1.00 52.34 H new ATOM 0 HB2 HIS A 131 13.380 15.683 13.464 1.00 73.22 H new ATOM 0 HB3 HIS A 131 15.064 15.977 13.076 1.00 73.22 H new ATOM 0 HD2 HIS A 131 16.115 18.447 14.082 1.00 41.54 H new ATOM 0 HE1 HIS A 131 12.918 18.984 16.795 1.00 4.35 H new ATOM 0 HE2 HIS A 131 15.277 19.764 16.185 1.00 4.24 H new ATOM 2150 N HIS A 132 14.163 18.957 10.384 1.00 23.21 N ATOM 2151 CA HIS A 132 14.979 20.015 9.765 1.00 62.23 C ATOM 2152 C HIS A 132 15.525 20.981 10.830 1.00 11.22 C ATOM 2153 O HIS A 132 14.957 21.104 11.921 1.00 43.20 O ATOM 2154 CB HIS A 132 14.144 20.779 8.696 1.00 41.53 C ATOM 2155 CG HIS A 132 13.724 19.923 7.531 1.00 42.11 C ATOM 2156 ND1 HIS A 132 12.411 19.563 7.333 1.00 21.12 N ATOM 2157 CD2 HIS A 132 14.474 19.405 6.528 1.00 45.31 C ATOM 2158 CE1 HIS A 132 12.399 18.837 6.229 1.00 60.31 C ATOM 2159 NE2 HIS A 132 13.626 18.716 5.709 1.00 24.02 N ATOM 0 H HIS A 132 13.171 19.019 10.155 1.00 23.21 H new ATOM 0 HA HIS A 132 15.832 19.551 9.271 1.00 62.23 H new ATOM 0 HB2 HIS A 132 13.254 21.193 9.171 1.00 41.53 H new ATOM 0 HB3 HIS A 132 14.728 21.621 8.325 1.00 41.53 H new ATOM 0 HD2 HIS A 132 15.541 19.516 6.401 1.00 45.31 H new ATOM 0 HE1 HIS A 132 11.511 18.397 5.800 1.00 60.31 H new ATOM 0 HE2 HIS A 132 13.879 18.206 4.863 1.00 24.02 H new ATOM 2167 N HIS A 133 16.635 21.661 10.497 1.00 73.40 N ATOM 2168 CA HIS A 133 17.319 22.601 11.412 1.00 44.51 C ATOM 2169 C HIS A 133 16.469 23.873 11.647 1.00 14.02 C ATOM 2170 O HIS A 133 16.649 24.579 12.646 1.00 50.22 O ATOM 2171 CB HIS A 133 18.730 22.948 10.857 1.00 3.14 C ATOM 2172 CG HIS A 133 19.543 23.862 11.737 1.00 43.01 C ATOM 2173 ND1 HIS A 133 19.838 25.172 11.407 1.00 24.53 N ATOM 2174 CD2 HIS A 133 20.122 23.653 12.945 1.00 43.12 C ATOM 2175 CE1 HIS A 133 20.555 25.716 12.367 1.00 64.12 C ATOM 2176 NE2 HIS A 133 20.734 24.819 13.312 1.00 31.01 N ATOM 0 H HIS A 133 17.086 21.577 9.586 1.00 73.40 H new ATOM 0 HA HIS A 133 17.442 22.119 12.382 1.00 44.51 H new ATOM 0 HB2 HIS A 133 19.285 22.022 10.707 1.00 3.14 H new ATOM 0 HB3 HIS A 133 18.616 23.414 9.878 1.00 3.14 H new ATOM 0 HD2 HIS A 133 20.103 22.734 13.513 1.00 43.12 H new ATOM 0 HE1 HIS A 133 20.933 26.728 12.377 1.00 64.12 H new ATOM 0 HE2 HIS A 133 21.248 24.969 14.180 1.00 31.01 H new ATOM 2185 N HIS A 134 15.535 24.149 10.725 1.00 3.44 N ATOM 2186 CA HIS A 134 14.611 25.294 10.833 1.00 71.43 C ATOM 2187 C HIS A 134 13.270 24.870 11.455 1.00 45.41 C ATOM 2188 O HIS A 134 12.587 23.979 10.945 1.00 53.35 O ATOM 2189 CB HIS A 134 14.393 25.962 9.435 1.00 13.44 C ATOM 2190 CG HIS A 134 15.195 27.221 9.231 1.00 70.42 C ATOM 2191 ND1 HIS A 134 14.702 28.477 9.520 1.00 52.40 N ATOM 2192 CD2 HIS A 134 16.462 27.410 8.808 1.00 24.35 C ATOM 2193 CE1 HIS A 134 15.632 29.374 9.285 1.00 25.02 C ATOM 2194 NE2 HIS A 134 16.705 28.755 8.858 1.00 64.22 N ATOM 0 H HIS A 134 15.397 23.588 9.884 1.00 3.44 H new ATOM 0 HA HIS A 134 15.065 26.031 11.496 1.00 71.43 H new ATOM 0 HB2 HIS A 134 14.654 25.246 8.656 1.00 13.44 H new ATOM 0 HB3 HIS A 134 13.335 26.193 9.314 1.00 13.44 H new ATOM 0 HD1 HIS A 134 13.762 28.677 9.863 1.00 52.40 H new ATOM 0 HD2 HIS A 134 17.154 26.644 8.490 1.00 24.35 H new ATOM 0 HE1 HIS A 134 15.530 30.441 9.421 1.00 25.02 H new ATOM 2203 N HIS A 135 12.933 25.502 12.590 1.00 75.31 N ATOM 2204 CA HIS A 135 11.592 25.436 13.215 1.00 34.51 C ATOM 2205 C HIS A 135 11.077 26.866 13.482 1.00 40.13 C ATOM 2206 O HIS A 135 10.006 27.059 14.063 1.00 32.20 O ATOM 2207 CB HIS A 135 11.630 24.610 14.531 1.00 62.21 C ATOM 2208 CG HIS A 135 12.176 23.213 14.353 1.00 3.54 C ATOM 2209 ND1 HIS A 135 11.433 22.176 13.837 1.00 22.34 N ATOM 2210 CD2 HIS A 135 13.416 22.710 14.572 1.00 21.41 C ATOM 2211 CE1 HIS A 135 12.190 21.099 13.744 1.00 42.22 C ATOM 2212 NE2 HIS A 135 13.393 21.398 14.185 1.00 54.44 N ATOM 0 H HIS A 135 13.590 26.083 13.111 1.00 75.31 H new ATOM 0 HA HIS A 135 10.909 24.932 12.531 1.00 34.51 H new ATOM 0 HB2 HIS A 135 12.239 25.138 15.264 1.00 62.21 H new ATOM 0 HB3 HIS A 135 10.622 24.548 14.940 1.00 62.21 H new ATOM 0 HD2 HIS A 135 14.263 23.245 14.976 1.00 21.41 H new ATOM 0 HE1 HIS A 135 11.876 20.136 13.370 1.00 42.22 H new ATOM 0 HE2 HIS A 135 14.183 20.754 14.231 1.00 54.44 H new ATOM 2221 N HIS A 136 11.867 27.865 13.040 1.00 61.40 N ATOM 2222 CA HIS A 136 11.544 29.296 13.129 1.00 33.34 C ATOM 2223 C HIS A 136 11.856 29.947 11.760 1.00 32.11 C ATOM 2224 O HIS A 136 10.908 30.280 11.018 1.00 10.32 O ATOM 2225 CB HIS A 136 12.343 29.985 14.276 1.00 31.24 C ATOM 2226 CG HIS A 136 11.830 29.693 15.661 1.00 71.13 C ATOM 2227 ND1 HIS A 136 12.513 28.939 16.591 1.00 51.41 N ATOM 2228 CD2 HIS A 136 10.685 30.078 16.269 1.00 32.43 C ATOM 2229 CE1 HIS A 136 11.813 28.883 17.708 1.00 13.40 C ATOM 2230 NE2 HIS A 136 10.701 29.567 17.540 1.00 1.20 N ATOM 2231 OXT HIS A 136 13.050 30.068 11.414 1.00 37.66 O ATOM 0 H HIS A 136 12.771 27.690 12.600 1.00 61.40 H new ATOM 0 HA HIS A 136 10.487 29.421 13.366 1.00 33.34 H new ATOM 0 HB2 HIS A 136 13.385 29.670 14.215 1.00 31.24 H new ATOM 0 HB3 HIS A 136 12.326 31.063 14.116 1.00 31.24 H new ATOM 0 HD2 HIS A 136 9.901 30.679 15.832 1.00 32.43 H new ATOM 0 HE1 HIS A 136 12.104 28.363 18.609 1.00 13.40 H new ATOM 0 HE2 HIS A 136 9.971 29.695 18.241 1.00 1.20 H new TER 2240 HIS A 136