USER MOD reduce.3.24.130724 H: found=0, std=0, add=1086, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1081 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 128 TYR OH : rot 180:sc=-0.00545 USER MOD Set 1.2: A 130 LYS NZ :NH3+ -153:sc= 0.0452 (180deg=0) USER MOD Set 2.1: A 40 SER OG : rot -65:sc= 1.1 USER MOD Set 2.2: A 43 THR OG1 : rot 150:sc= -0.0321 USER MOD Set 3.1: A 32 THR OG1 : rot 45:sc= -0.269 USER MOD Set 3.2: A 110 GLN : amide:sc= -1.88 K(o=-2.2,f=1) USER MOD Set 4.1: A 24 GLN : amide:sc= 0.321 K(o=0.65,f=-0.66) USER MOD Set 4.2: A 82 GLN : amide:sc= 0.334 K(o=0.65,f=-2.4!) USER MOD Single : A 1 GLU N :NH3+ 135:sc= 0.0292 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -1.23! K(o=-1.2!,f=-0.32) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 90:sc= 0.6 USER MOD Single : A 12 GLN : amide:sc= -0.355 X(o=-0.36,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 68:sc= -0.321 USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=0.93) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -76:sc= 0.724 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -163:sc= -0.146 USER MOD Single : A 29 THR OG1 : rot -81:sc= 0.713 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 161:sc= -1.37 (180deg=-2.04!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0793 USER MOD Single : A 46 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00818) USER MOD Single : A 48 THR OG1 : rot 18:sc= -0.524 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00435 USER MOD Single : A 58 GLN : amide:sc= -0.333 X(o=-0.33,f=0) USER MOD Single : A 60 TYR OH : rot -152:sc= -0.264 USER MOD Single : A 61 SER OG : rot 73:sc= 0.995 USER MOD Single : A 62 HIS : no HD1:sc= -0.0327 X(o=-0.033,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -3.79! K(o=-3.8!,f=-2.3) USER MOD Single : A 65 LYS NZ :NH3+ 144:sc= -0.165 (180deg=-1.34!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0321 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0791 USER MOD Single : A 75 GLN : amide:sc= -1.19! K(o=-1.2!,f=0) USER MOD Single : A 76 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.094) USER MOD Single : A 78 HIS : no HD1:sc= -0.0792 X(o=-0.079,f=-0.0082) USER MOD Single : A 80 HIS : no HD1:sc= -3.7 K(o=-3.7,f=-5.5!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -158:sc=-0.00891 (180deg=-0.137) USER MOD Single : A 93 ASN : amide:sc= -5.1! K(o=-5.1!,f=-2.4) USER MOD Single : A 101 ASN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 155:sc= -0.0595 (180deg=-0.511) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 170:sc= -0.219 USER MOD Single : A 115 ASN : amide:sc= -0.0149 K(o=-0.015,f=-1.9!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 89:sc= 0.721 USER MOD Single : A 124 MET CE :methyl 170:sc= -0.0632 (180deg=-0.243) USER MOD Single : A 127 LYS NZ :NH3+ -136:sc= -0.281 (180deg=-1.38!) USER MOD Single : A 129 SER OG : rot 55:sc= 0.813 USER MOD Single : A 132 SER OG : rot 180:sc= 0.0361 USER MOD Single : A 133 SER OG : rot -17:sc= 0.407! USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -29.148 23.615 6.774 1.00 9.11 N ATOM 2 CA GLU A 1 -28.447 22.748 5.783 1.00 8.36 C ATOM 3 C GLU A 1 -27.234 22.094 6.447 1.00 8.48 C ATOM 4 O GLU A 1 -26.560 22.694 7.259 1.00 9.24 O ATOM 5 CB GLU A 1 -27.984 23.599 4.599 1.00 8.76 C ATOM 6 CG GLU A 1 -29.077 23.625 3.529 1.00 8.41 C ATOM 7 CD GLU A 1 -28.795 24.754 2.537 1.00 9.30 C ATOM 8 OE1 GLU A 1 -27.818 25.458 2.733 1.00 9.90 O ATOM 9 OE2 GLU A 1 -29.562 24.897 1.599 1.00 9.53 O ATOM 0 H1 GLU A 1 -29.385 24.526 6.332 1.00 9.11 H new ATOM 0 H2 GLU A 1 -30.021 23.146 7.089 1.00 9.11 H new ATOM 0 H3 GLU A 1 -28.528 23.778 7.593 1.00 9.11 H new ATOM 0 HA GLU A 1 -29.129 21.974 5.429 1.00 8.36 H new ATOM 0 HB2 GLU A 1 -27.762 24.613 4.931 1.00 8.76 H new ATOM 0 HB3 GLU A 1 -27.063 23.191 4.183 1.00 8.76 H new ATOM 0 HG2 GLU A 1 -29.112 22.669 3.007 1.00 8.41 H new ATOM 0 HG3 GLU A 1 -30.052 23.771 3.994 1.00 8.41 H new ATOM 18 N ALA A 2 -26.950 20.867 6.105 1.00 7.83 N ATOM 19 CA ALA A 2 -25.780 20.175 6.717 1.00 8.16 C ATOM 20 C ALA A 2 -25.315 19.047 5.794 1.00 7.46 C ATOM 21 O ALA A 2 -25.992 18.682 4.854 1.00 6.80 O ATOM 22 CB ALA A 2 -26.184 19.591 8.073 1.00 8.40 C ATOM 0 H ALA A 2 -27.477 20.314 5.429 1.00 7.83 H new ATOM 0 HA ALA A 2 -24.968 20.889 6.857 1.00 8.16 H new ATOM 0 HB1 ALA A 2 -25.329 19.085 8.521 1.00 8.40 H new ATOM 0 HB2 ALA A 2 -26.515 20.394 8.731 1.00 8.40 H new ATOM 0 HB3 ALA A 2 -26.996 18.877 7.934 1.00 8.40 H new ATOM 28 N GLU A 3 -24.162 18.493 6.054 1.00 7.74 N ATOM 29 CA GLU A 3 -23.654 17.389 5.191 1.00 7.18 C ATOM 30 C GLU A 3 -24.156 16.048 5.730 1.00 6.39 C ATOM 31 O GLU A 3 -24.693 15.967 6.817 1.00 6.46 O ATOM 32 CB GLU A 3 -22.124 17.401 5.196 1.00 7.99 C ATOM 33 CG GLU A 3 -21.618 18.472 4.228 1.00 8.82 C ATOM 34 CD GLU A 3 -22.291 19.808 4.549 1.00 9.34 C ATOM 35 OE1 GLU A 3 -23.367 20.048 4.026 1.00 8.95 O ATOM 36 OE2 GLU A 3 -21.718 20.570 5.311 1.00 10.27 O ATOM 0 H GLU A 3 -23.550 18.757 6.826 1.00 7.74 H new ATOM 0 HA GLU A 3 -24.015 17.529 4.172 1.00 7.18 H new ATOM 0 HB2 GLU A 3 -21.755 17.601 6.202 1.00 7.99 H new ATOM 0 HB3 GLU A 3 -21.741 16.423 4.905 1.00 7.99 H new ATOM 0 HG2 GLU A 3 -20.535 18.569 4.310 1.00 8.82 H new ATOM 0 HG3 GLU A 3 -21.835 18.181 3.200 1.00 8.82 H new ATOM 43 N ALA A 4 -23.987 14.995 4.978 1.00 5.77 N ATOM 44 CA ALA A 4 -24.455 13.661 5.448 1.00 5.08 C ATOM 45 C ALA A 4 -24.069 12.594 4.421 1.00 4.53 C ATOM 46 O ALA A 4 -24.855 11.731 4.084 1.00 4.07 O ATOM 47 CB ALA A 4 -25.975 13.683 5.615 1.00 4.67 C ATOM 0 H ALA A 4 -23.545 15.001 4.059 1.00 5.77 H new ATOM 0 HA ALA A 4 -23.988 13.429 6.405 1.00 5.08 H new ATOM 0 HB1 ALA A 4 -26.317 12.707 5.959 1.00 4.67 H new ATOM 0 HB2 ALA A 4 -26.250 14.442 6.347 1.00 4.67 H new ATOM 0 HB3 ALA A 4 -26.443 13.915 4.658 1.00 4.67 H new ATOM 53 N HIS A 5 -22.865 12.647 3.920 1.00 4.61 N ATOM 54 CA HIS A 5 -22.431 11.636 2.915 1.00 4.09 C ATOM 55 C HIS A 5 -22.326 10.264 3.585 1.00 3.05 C ATOM 56 O HIS A 5 -21.701 10.112 4.615 1.00 2.91 O ATOM 57 CB HIS A 5 -21.066 12.033 2.349 1.00 4.50 C ATOM 58 CG HIS A 5 -20.308 12.826 3.378 1.00 5.80 C ATOM 59 ND1 HIS A 5 -19.495 12.221 4.325 1.00 6.17 N ATOM 60 CD2 HIS A 5 -20.229 14.174 3.621 1.00 7.05 C ATOM 61 CE1 HIS A 5 -18.967 13.197 5.086 1.00 7.55 C ATOM 62 NE2 HIS A 5 -19.381 14.406 4.701 1.00 8.04 N ATOM 0 H HIS A 5 -22.164 13.346 4.163 1.00 4.61 H new ATOM 0 HA HIS A 5 -23.160 11.591 2.106 1.00 4.09 H new ATOM 0 HB2 HIS A 5 -20.502 11.142 2.073 1.00 4.50 H new ATOM 0 HB3 HIS A 5 -21.194 12.623 1.442 1.00 4.50 H new ATOM 0 HD2 HIS A 5 -20.746 14.939 3.060 1.00 7.05 H new ATOM 0 HE1 HIS A 5 -18.290 13.023 5.909 1.00 7.55 H new ATOM 0 HE2 HIS A 5 -19.130 15.306 5.110 1.00 8.04 H new ATOM 70 N LYS A 6 -22.934 9.264 3.007 1.00 2.52 N ATOM 71 CA LYS A 6 -22.868 7.904 3.611 1.00 1.71 C ATOM 72 C LYS A 6 -21.632 7.171 3.085 1.00 1.40 C ATOM 73 O LYS A 6 -21.112 6.275 3.719 1.00 1.56 O ATOM 74 CB LYS A 6 -24.126 7.117 3.234 1.00 2.06 C ATOM 75 CG LYS A 6 -25.177 7.278 4.334 1.00 2.77 C ATOM 76 CD LYS A 6 -26.538 6.811 3.812 1.00 3.77 C ATOM 77 CE LYS A 6 -27.408 8.028 3.495 1.00 5.40 C ATOM 78 NZ LYS A 6 -28.726 7.573 2.969 1.00 6.39 N ATOM 0 H LYS A 6 -23.473 9.330 2.144 1.00 2.52 H new ATOM 0 HA LYS A 6 -22.805 7.991 4.696 1.00 1.71 H new ATOM 0 HB2 LYS A 6 -24.521 7.476 2.284 1.00 2.06 H new ATOM 0 HB3 LYS A 6 -23.882 6.063 3.101 1.00 2.06 H new ATOM 0 HG2 LYS A 6 -24.893 6.696 5.211 1.00 2.77 H new ATOM 0 HG3 LYS A 6 -25.234 8.320 4.648 1.00 2.77 H new ATOM 0 HD2 LYS A 6 -26.407 6.202 2.918 1.00 3.77 H new ATOM 0 HD3 LYS A 6 -27.029 6.184 4.556 1.00 3.77 H new ATOM 0 HE2 LYS A 6 -27.551 8.630 4.392 1.00 5.40 H new ATOM 0 HE3 LYS A 6 -26.911 8.663 2.761 1.00 5.40 H new ATOM 0 HZ1 LYS A 6 -29.318 8.400 2.753 1.00 6.39 H new ATOM 0 HZ2 LYS A 6 -28.581 7.016 2.103 1.00 6.39 H new ATOM 0 HZ3 LYS A 6 -29.200 6.985 3.683 1.00 6.39 H new ATOM 92 N CYS A 7 -21.156 7.545 1.929 1.00 1.07 N ATOM 93 CA CYS A 7 -19.954 6.871 1.363 1.00 0.97 C ATOM 94 C CYS A 7 -18.724 7.239 2.195 1.00 0.91 C ATOM 95 O CYS A 7 -18.720 8.218 2.915 1.00 0.93 O ATOM 96 CB CYS A 7 -19.747 7.324 -0.082 1.00 0.70 C ATOM 97 SG CYS A 7 -21.325 7.267 -0.967 1.00 0.75 S ATOM 0 H CYS A 7 -21.548 8.289 1.352 1.00 1.07 H new ATOM 0 HA CYS A 7 -20.099 5.791 1.387 1.00 0.97 H new ATOM 0 HB2 CYS A 7 -19.343 8.336 -0.102 1.00 0.70 H new ATOM 0 HB3 CYS A 7 -19.018 6.680 -0.575 1.00 0.70 H new ATOM 102 N ASP A 8 -17.680 6.461 2.104 1.00 0.85 N ATOM 103 CA ASP A 8 -16.452 6.767 2.889 1.00 0.82 C ATOM 104 C ASP A 8 -15.589 7.769 2.121 1.00 0.74 C ATOM 105 O ASP A 8 -15.488 7.716 0.911 1.00 0.79 O ATOM 106 CB ASP A 8 -15.657 5.479 3.115 1.00 0.85 C ATOM 107 CG ASP A 8 -14.638 5.695 4.236 1.00 1.03 C ATOM 108 OD1 ASP A 8 -13.583 6.239 3.953 1.00 1.96 O ATOM 109 OD2 ASP A 8 -14.931 5.314 5.357 1.00 1.19 O ATOM 0 H ASP A 8 -17.625 5.627 1.520 1.00 0.85 H new ATOM 0 HA ASP A 8 -16.735 7.195 3.851 1.00 0.82 H new ATOM 0 HB2 ASP A 8 -16.332 4.664 3.376 1.00 0.85 H new ATOM 0 HB3 ASP A 8 -15.147 5.189 2.197 1.00 0.85 H new ATOM 114 N ILE A 9 -14.964 8.682 2.813 1.00 0.73 N ATOM 115 CA ILE A 9 -14.107 9.687 2.122 1.00 0.63 C ATOM 116 C ILE A 9 -12.661 9.190 2.093 1.00 0.56 C ATOM 117 O ILE A 9 -11.879 9.572 1.245 1.00 0.43 O ATOM 118 CB ILE A 9 -14.173 11.017 2.874 1.00 0.66 C ATOM 119 CG1 ILE A 9 -13.299 12.050 2.159 1.00 0.59 C ATOM 120 CG2 ILE A 9 -13.665 10.822 4.303 1.00 0.71 C ATOM 121 CD1 ILE A 9 -13.764 13.459 2.532 1.00 0.67 C ATOM 0 H ILE A 9 -15.010 8.776 3.828 1.00 0.73 H new ATOM 0 HA ILE A 9 -14.464 9.828 1.102 1.00 0.63 H new ATOM 0 HB ILE A 9 -15.205 11.368 2.901 1.00 0.66 H new ATOM 0 HG12 ILE A 9 -12.254 11.914 2.439 1.00 0.59 H new ATOM 0 HG13 ILE A 9 -13.360 11.909 1.080 1.00 0.59 H new ATOM 0 HG21 ILE A 9 -13.712 11.770 4.839 1.00 0.71 H new ATOM 0 HG22 ILE A 9 -14.287 10.086 4.813 1.00 0.71 H new ATOM 0 HG23 ILE A 9 -12.633 10.471 4.278 1.00 0.71 H new ATOM 0 HD11 ILE A 9 -13.141 14.194 2.023 1.00 0.67 H new ATOM 0 HD12 ILE A 9 -14.803 13.591 2.230 1.00 0.67 H new ATOM 0 HD13 ILE A 9 -13.680 13.597 3.610 1.00 0.67 H new ATOM 133 N THR A 10 -12.299 8.339 3.013 1.00 0.66 N ATOM 134 CA THR A 10 -10.903 7.817 3.038 1.00 0.63 C ATOM 135 C THR A 10 -10.601 7.106 1.717 1.00 0.53 C ATOM 136 O THR A 10 -9.542 7.267 1.143 1.00 0.45 O ATOM 137 CB THR A 10 -10.748 6.828 4.197 1.00 0.73 C ATOM 138 OG1 THR A 10 -11.451 7.317 5.331 1.00 0.82 O ATOM 139 CG2 THR A 10 -9.267 6.672 4.542 1.00 0.76 C ATOM 0 H THR A 10 -12.909 7.982 3.749 1.00 0.66 H new ATOM 0 HA THR A 10 -10.208 8.646 3.172 1.00 0.63 H new ATOM 0 HB THR A 10 -11.155 5.860 3.906 1.00 0.73 H new ATOM 0 HG1 THR A 10 -12.371 6.979 5.317 1.00 0.82 H new ATOM 0 HG21 THR A 10 -9.158 5.968 5.367 1.00 0.76 H new ATOM 0 HG22 THR A 10 -8.728 6.298 3.672 1.00 0.76 H new ATOM 0 HG23 THR A 10 -8.858 7.639 4.834 1.00 0.76 H new ATOM 147 N LEU A 11 -11.523 6.321 1.231 1.00 0.58 N ATOM 148 CA LEU A 11 -11.287 5.602 -0.053 1.00 0.54 C ATOM 149 C LEU A 11 -11.019 6.619 -1.163 1.00 0.51 C ATOM 150 O LEU A 11 -10.394 6.314 -2.161 1.00 0.48 O ATOM 151 CB LEU A 11 -12.524 4.774 -0.407 1.00 0.64 C ATOM 152 CG LEU A 11 -12.850 3.816 0.742 1.00 0.68 C ATOM 153 CD1 LEU A 11 -14.112 3.021 0.401 1.00 0.66 C ATOM 154 CD2 LEU A 11 -11.682 2.846 0.953 1.00 0.71 C ATOM 0 H LEU A 11 -12.429 6.146 1.667 1.00 0.58 H new ATOM 0 HA LEU A 11 -10.426 4.942 0.051 1.00 0.54 H new ATOM 0 HB2 LEU A 11 -13.372 5.432 -0.596 1.00 0.64 H new ATOM 0 HB3 LEU A 11 -12.347 4.211 -1.323 1.00 0.64 H new ATOM 0 HG LEU A 11 -13.014 4.391 1.654 1.00 0.68 H new ATOM 0 HD11 LEU A 11 -14.344 2.339 1.219 1.00 0.66 H new ATOM 0 HD12 LEU A 11 -14.946 3.708 0.253 1.00 0.66 H new ATOM 0 HD13 LEU A 11 -13.946 2.449 -0.512 1.00 0.66 H new ATOM 0 HD21 LEU A 11 -11.917 2.166 1.771 1.00 0.71 H new ATOM 0 HD22 LEU A 11 -11.516 2.273 0.041 1.00 0.71 H new ATOM 0 HD23 LEU A 11 -10.781 3.409 1.197 1.00 0.71 H new ATOM 166 N GLN A 12 -11.485 7.827 -1.001 1.00 0.52 N ATOM 167 CA GLN A 12 -11.257 8.862 -2.048 1.00 0.49 C ATOM 168 C GLN A 12 -9.835 9.413 -1.922 1.00 0.46 C ATOM 169 O GLN A 12 -8.993 9.182 -2.766 1.00 0.40 O ATOM 170 CB GLN A 12 -12.263 10.001 -1.867 1.00 0.51 C ATOM 171 CG GLN A 12 -12.204 10.932 -3.079 1.00 0.57 C ATOM 172 CD GLN A 12 -12.211 12.387 -2.605 1.00 1.42 C ATOM 173 OE1 GLN A 12 -13.123 13.132 -2.906 1.00 1.39 O ATOM 174 NE2 GLN A 12 -11.225 12.827 -1.871 1.00 2.71 N ATOM 0 H GLN A 12 -12.014 8.142 -0.188 1.00 0.52 H new ATOM 0 HA GLN A 12 -11.387 8.415 -3.034 1.00 0.49 H new ATOM 0 HB2 GLN A 12 -13.269 9.597 -1.754 1.00 0.51 H new ATOM 0 HB3 GLN A 12 -12.039 10.557 -0.957 1.00 0.51 H new ATOM 0 HG2 GLN A 12 -11.304 10.732 -3.661 1.00 0.57 H new ATOM 0 HG3 GLN A 12 -13.055 10.748 -3.734 1.00 0.57 H new ATOM 0 HE21 GLN A 12 -10.459 12.202 -1.618 1.00 2.71 H new ATOM 0 HE22 GLN A 12 -11.220 13.795 -1.551 1.00 2.71 H new ATOM 183 N GLU A 13 -9.562 10.142 -0.874 1.00 0.51 N ATOM 184 CA GLU A 13 -8.194 10.708 -0.697 1.00 0.50 C ATOM 185 C GLU A 13 -7.156 9.594 -0.854 1.00 0.48 C ATOM 186 O GLU A 13 -6.029 9.834 -1.239 1.00 0.47 O ATOM 187 CB GLU A 13 -8.074 11.325 0.698 1.00 0.52 C ATOM 188 CG GLU A 13 -8.022 10.213 1.747 1.00 0.52 C ATOM 189 CD GLU A 13 -8.319 10.799 3.128 1.00 1.37 C ATOM 190 OE1 GLU A 13 -8.372 12.013 3.236 1.00 2.51 O ATOM 191 OE2 GLU A 13 -8.487 10.024 4.056 1.00 1.49 O ATOM 0 H GLU A 13 -10.226 10.370 -0.134 1.00 0.51 H new ATOM 0 HA GLU A 13 -8.018 11.476 -1.450 1.00 0.50 H new ATOM 0 HB2 GLU A 13 -7.176 11.939 0.759 1.00 0.52 H new ATOM 0 HB3 GLU A 13 -8.923 11.981 0.891 1.00 0.52 H new ATOM 0 HG2 GLU A 13 -8.748 9.437 1.506 1.00 0.52 H new ATOM 0 HG3 GLU A 13 -7.039 9.742 1.744 1.00 0.52 H new ATOM 198 N ILE A 14 -7.527 8.378 -0.560 1.00 0.50 N ATOM 199 CA ILE A 14 -6.560 7.252 -0.695 1.00 0.48 C ATOM 200 C ILE A 14 -6.254 7.017 -2.175 1.00 0.45 C ATOM 201 O ILE A 14 -5.117 7.073 -2.601 1.00 0.45 O ATOM 202 CB ILE A 14 -7.165 5.984 -0.090 1.00 0.50 C ATOM 203 CG1 ILE A 14 -6.950 5.990 1.425 1.00 0.50 C ATOM 204 CG2 ILE A 14 -6.484 4.754 -0.695 1.00 0.47 C ATOM 205 CD1 ILE A 14 -7.807 4.899 2.068 1.00 0.55 C ATOM 0 H ILE A 14 -8.457 8.116 -0.233 1.00 0.50 H new ATOM 0 HA ILE A 14 -5.638 7.500 -0.169 1.00 0.48 H new ATOM 0 HB ILE A 14 -8.233 5.952 -0.307 1.00 0.50 H new ATOM 0 HG12 ILE A 14 -5.898 5.822 1.654 1.00 0.50 H new ATOM 0 HG13 ILE A 14 -7.214 6.964 1.836 1.00 0.50 H new ATOM 0 HG21 ILE A 14 -6.915 3.850 -0.264 1.00 0.47 H new ATOM 0 HG22 ILE A 14 -6.635 4.749 -1.774 1.00 0.47 H new ATOM 0 HG23 ILE A 14 -5.416 4.786 -0.478 1.00 0.47 H new ATOM 0 HD11 ILE A 14 -7.653 4.904 3.147 1.00 0.55 H new ATOM 0 HD12 ILE A 14 -8.858 5.087 1.851 1.00 0.55 H new ATOM 0 HD13 ILE A 14 -7.521 3.927 1.665 1.00 0.55 H new ATOM 217 N ILE A 15 -7.259 6.753 -2.964 1.00 0.44 N ATOM 218 CA ILE A 15 -7.023 6.514 -4.415 1.00 0.42 C ATOM 219 C ILE A 15 -6.110 7.607 -4.971 1.00 0.35 C ATOM 220 O ILE A 15 -5.147 7.334 -5.660 1.00 0.30 O ATOM 221 CB ILE A 15 -8.361 6.540 -5.160 1.00 0.48 C ATOM 222 CG1 ILE A 15 -9.085 5.209 -4.950 1.00 0.45 C ATOM 223 CG2 ILE A 15 -8.109 6.753 -6.653 1.00 0.59 C ATOM 224 CD1 ILE A 15 -10.567 5.374 -5.295 1.00 0.51 C ATOM 0 H ILE A 15 -8.233 6.693 -2.666 1.00 0.44 H new ATOM 0 HA ILE A 15 -6.549 5.542 -4.550 1.00 0.42 H new ATOM 0 HB ILE A 15 -8.976 7.354 -4.776 1.00 0.48 H new ATOM 0 HG12 ILE A 15 -8.639 4.437 -5.577 1.00 0.45 H new ATOM 0 HG13 ILE A 15 -8.976 4.883 -3.916 1.00 0.45 H new ATOM 0 HG21 ILE A 15 -9.061 6.772 -7.184 1.00 0.59 H new ATOM 0 HG22 ILE A 15 -7.591 7.700 -6.803 1.00 0.59 H new ATOM 0 HG23 ILE A 15 -7.495 5.939 -7.038 1.00 0.59 H new ATOM 0 HD11 ILE A 15 -11.083 4.426 -5.145 1.00 0.51 H new ATOM 0 HD12 ILE A 15 -11.009 6.133 -4.649 1.00 0.51 H new ATOM 0 HD13 ILE A 15 -10.666 5.681 -6.336 1.00 0.51 H new ATOM 236 N LYS A 16 -6.402 8.844 -4.677 1.00 0.37 N ATOM 237 CA LYS A 16 -5.549 9.954 -5.189 1.00 0.33 C ATOM 238 C LYS A 16 -4.116 9.769 -4.685 1.00 0.29 C ATOM 239 O LYS A 16 -3.162 10.084 -5.369 1.00 0.35 O ATOM 240 CB LYS A 16 -6.097 11.292 -4.688 1.00 0.37 C ATOM 241 CG LYS A 16 -6.345 12.221 -5.878 1.00 0.98 C ATOM 242 CD LYS A 16 -6.711 13.617 -5.369 1.00 1.34 C ATOM 243 CE LYS A 16 -7.975 13.534 -4.511 1.00 0.79 C ATOM 244 NZ LYS A 16 -8.666 14.855 -4.517 1.00 1.33 N ATOM 0 H LYS A 16 -7.194 9.134 -4.104 1.00 0.37 H new ATOM 0 HA LYS A 16 -5.556 9.944 -6.279 1.00 0.33 H new ATOM 0 HB2 LYS A 16 -7.024 11.134 -4.137 1.00 0.37 H new ATOM 0 HB3 LYS A 16 -5.390 11.750 -3.997 1.00 0.37 H new ATOM 0 HG2 LYS A 16 -5.454 12.273 -6.504 1.00 0.98 H new ATOM 0 HG3 LYS A 16 -7.149 11.827 -6.499 1.00 0.98 H new ATOM 0 HD2 LYS A 16 -5.889 14.029 -4.784 1.00 1.34 H new ATOM 0 HD3 LYS A 16 -6.874 14.291 -6.210 1.00 1.34 H new ATOM 0 HE2 LYS A 16 -8.640 12.762 -4.898 1.00 0.79 H new ATOM 0 HE3 LYS A 16 -7.717 13.251 -3.491 1.00 0.79 H new ATOM 0 HZ1 LYS A 16 -9.525 14.800 -3.934 1.00 1.33 H new ATOM 0 HZ2 LYS A 16 -8.030 15.581 -4.129 1.00 1.33 H new ATOM 0 HZ3 LYS A 16 -8.925 15.107 -5.492 1.00 1.33 H new ATOM 258 N THR A 17 -3.956 9.260 -3.494 1.00 0.19 N ATOM 259 CA THR A 17 -2.585 9.057 -2.948 1.00 0.15 C ATOM 260 C THR A 17 -1.852 8.005 -3.786 1.00 0.12 C ATOM 261 O THR A 17 -0.745 8.218 -4.237 1.00 0.10 O ATOM 262 CB THR A 17 -2.678 8.577 -1.497 1.00 0.17 C ATOM 263 OG1 THR A 17 -3.759 9.237 -0.852 1.00 0.29 O ATOM 264 CG2 THR A 17 -1.373 8.898 -0.767 1.00 0.55 C ATOM 0 H THR A 17 -4.716 8.976 -2.876 1.00 0.19 H new ATOM 0 HA THR A 17 -2.037 9.999 -2.985 1.00 0.15 H new ATOM 0 HB THR A 17 -2.845 7.500 -1.479 1.00 0.17 H new ATOM 0 HG1 THR A 17 -4.606 8.934 -1.241 1.00 0.29 H new ATOM 0 HG21 THR A 17 -1.440 8.556 0.266 1.00 0.55 H new ATOM 0 HG22 THR A 17 -0.545 8.393 -1.263 1.00 0.55 H new ATOM 0 HG23 THR A 17 -1.203 9.975 -0.782 1.00 0.55 H new ATOM 272 N LEU A 18 -2.463 6.871 -3.997 1.00 0.17 N ATOM 273 CA LEU A 18 -1.801 5.809 -4.805 1.00 0.18 C ATOM 274 C LEU A 18 -1.323 6.400 -6.133 1.00 0.15 C ATOM 275 O LEU A 18 -0.265 6.065 -6.628 1.00 0.16 O ATOM 276 CB LEU A 18 -2.798 4.681 -5.079 1.00 0.23 C ATOM 277 CG LEU A 18 -3.410 4.206 -3.759 1.00 0.44 C ATOM 278 CD1 LEU A 18 -4.408 3.080 -4.034 1.00 0.40 C ATOM 279 CD2 LEU A 18 -2.302 3.690 -2.838 1.00 0.69 C ATOM 0 H LEU A 18 -3.391 6.635 -3.645 1.00 0.17 H new ATOM 0 HA LEU A 18 -0.947 5.414 -4.255 1.00 0.18 H new ATOM 0 HB2 LEU A 18 -3.582 5.030 -5.750 1.00 0.23 H new ATOM 0 HB3 LEU A 18 -2.297 3.852 -5.578 1.00 0.23 H new ATOM 0 HG LEU A 18 -3.924 5.038 -3.279 1.00 0.44 H new ATOM 0 HD11 LEU A 18 -4.844 2.742 -3.094 1.00 0.40 H new ATOM 0 HD12 LEU A 18 -5.198 3.446 -4.689 1.00 0.40 H new ATOM 0 HD13 LEU A 18 -3.894 2.248 -4.516 1.00 0.40 H new ATOM 0 HD21 LEU A 18 -2.738 3.352 -1.898 1.00 0.69 H new ATOM 0 HD22 LEU A 18 -1.787 2.858 -3.319 1.00 0.69 H new ATOM 0 HD23 LEU A 18 -1.591 4.492 -2.640 1.00 0.69 H new ATOM 291 N ASN A 19 -2.094 7.277 -6.715 1.00 0.18 N ATOM 292 CA ASN A 19 -1.683 7.888 -8.010 1.00 0.14 C ATOM 293 C ASN A 19 -0.364 8.641 -7.824 1.00 0.11 C ATOM 294 O ASN A 19 0.600 8.407 -8.525 1.00 0.34 O ATOM 295 CB ASN A 19 -2.765 8.864 -8.481 1.00 0.19 C ATOM 296 CG ASN A 19 -3.903 8.084 -9.142 1.00 0.15 C ATOM 297 OD1 ASN A 19 -4.722 7.492 -8.468 1.00 1.01 O ATOM 298 ND2 ASN A 19 -3.988 8.058 -10.444 1.00 1.19 N ATOM 0 H ASN A 19 -2.991 7.597 -6.349 1.00 0.18 H new ATOM 0 HA ASN A 19 -1.552 7.103 -8.755 1.00 0.14 H new ATOM 0 HB2 ASN A 19 -3.146 9.437 -7.636 1.00 0.19 H new ATOM 0 HB3 ASN A 19 -2.342 9.579 -9.187 1.00 0.19 H new ATOM 0 HD21 ASN A 19 -4.742 7.541 -10.896 1.00 1.19 H new ATOM 0 HD22 ASN A 19 -3.300 8.555 -11.010 1.00 1.19 H new ATOM 305 N SER A 20 -0.314 9.545 -6.883 1.00 0.13 N ATOM 306 CA SER A 20 0.942 10.312 -6.654 1.00 0.17 C ATOM 307 C SER A 20 2.121 9.342 -6.546 1.00 0.10 C ATOM 308 O SER A 20 3.170 9.558 -7.119 1.00 0.24 O ATOM 309 CB SER A 20 0.821 11.112 -5.356 1.00 0.28 C ATOM 310 OG SER A 20 -0.139 12.146 -5.529 1.00 0.44 O ATOM 0 H SER A 20 -1.088 9.785 -6.264 1.00 0.13 H new ATOM 0 HA SER A 20 1.108 10.994 -7.488 1.00 0.17 H new ATOM 0 HB2 SER A 20 0.523 10.456 -4.538 1.00 0.28 H new ATOM 0 HB3 SER A 20 1.787 11.539 -5.087 1.00 0.28 H new ATOM 0 HG SER A 20 -0.220 12.659 -4.698 1.00 0.44 H new ATOM 316 N LEU A 21 1.957 8.273 -5.814 1.00 0.07 N ATOM 317 CA LEU A 21 3.068 7.292 -5.671 1.00 0.12 C ATOM 318 C LEU A 21 3.569 6.881 -7.057 1.00 0.12 C ATOM 319 O LEU A 21 4.753 6.892 -7.329 1.00 0.20 O ATOM 320 CB LEU A 21 2.562 6.054 -4.925 1.00 0.20 C ATOM 321 CG LEU A 21 2.880 6.189 -3.434 1.00 0.23 C ATOM 322 CD1 LEU A 21 1.972 5.254 -2.633 1.00 0.27 C ATOM 323 CD2 LEU A 21 4.342 5.809 -3.183 1.00 0.73 C ATOM 0 H LEU A 21 1.102 8.038 -5.310 1.00 0.07 H new ATOM 0 HA LEU A 21 3.884 7.748 -5.110 1.00 0.12 H new ATOM 0 HB2 LEU A 21 1.487 5.944 -5.070 1.00 0.20 H new ATOM 0 HB3 LEU A 21 3.032 5.157 -5.328 1.00 0.20 H new ATOM 0 HG LEU A 21 2.713 7.220 -3.122 1.00 0.23 H new ATOM 0 HD11 LEU A 21 2.198 5.349 -1.571 1.00 0.27 H new ATOM 0 HD12 LEU A 21 0.930 5.521 -2.808 1.00 0.27 H new ATOM 0 HD13 LEU A 21 2.141 4.224 -2.949 1.00 0.27 H new ATOM 0 HD21 LEU A 21 4.566 5.906 -2.121 1.00 0.73 H new ATOM 0 HD22 LEU A 21 4.509 4.779 -3.496 1.00 0.73 H new ATOM 0 HD23 LEU A 21 4.993 6.472 -3.753 1.00 0.73 H new ATOM 335 N THR A 22 2.676 6.520 -7.938 1.00 0.10 N ATOM 336 CA THR A 22 3.103 6.109 -9.305 1.00 0.20 C ATOM 337 C THR A 22 3.983 7.203 -9.915 1.00 0.29 C ATOM 338 O THR A 22 5.008 6.929 -10.508 1.00 0.46 O ATOM 339 CB THR A 22 1.868 5.899 -10.185 1.00 0.26 C ATOM 340 OG1 THR A 22 1.244 7.151 -10.429 1.00 0.48 O ATOM 341 CG2 THR A 22 0.887 4.966 -9.474 1.00 0.28 C ATOM 0 H THR A 22 1.670 6.492 -7.770 1.00 0.10 H new ATOM 0 HA THR A 22 3.668 5.179 -9.244 1.00 0.20 H new ATOM 0 HB THR A 22 2.168 5.453 -11.133 1.00 0.26 H new ATOM 0 HG1 THR A 22 0.758 7.436 -9.627 1.00 0.48 H new ATOM 0 HG21 THR A 22 0.008 4.817 -10.101 1.00 0.28 H new ATOM 0 HG22 THR A 22 1.368 4.006 -9.288 1.00 0.28 H new ATOM 0 HG23 THR A 22 0.585 5.410 -8.525 1.00 0.28 H new ATOM 349 N GLU A 23 3.592 8.440 -9.775 1.00 0.19 N ATOM 350 CA GLU A 23 4.406 9.548 -10.347 1.00 0.28 C ATOM 351 C GLU A 23 5.862 9.392 -9.905 1.00 0.24 C ATOM 352 O GLU A 23 6.778 9.775 -10.607 1.00 0.28 O ATOM 353 CB GLU A 23 3.864 10.891 -9.850 1.00 0.38 C ATOM 354 CG GLU A 23 2.360 10.966 -10.123 1.00 0.60 C ATOM 355 CD GLU A 23 1.828 12.331 -9.680 1.00 1.38 C ATOM 356 OE1 GLU A 23 2.220 12.779 -8.615 1.00 2.47 O ATOM 357 OE2 GLU A 23 1.040 12.903 -10.413 1.00 1.37 O ATOM 0 H GLU A 23 2.744 8.731 -9.289 1.00 0.19 H new ATOM 0 HA GLU A 23 4.350 9.514 -11.435 1.00 0.28 H new ATOM 0 HB2 GLU A 23 4.057 11.001 -8.783 1.00 0.38 H new ATOM 0 HB3 GLU A 23 4.377 11.711 -10.353 1.00 0.38 H new ATOM 0 HG2 GLU A 23 2.164 10.815 -11.185 1.00 0.60 H new ATOM 0 HG3 GLU A 23 1.842 10.171 -9.587 1.00 0.60 H new ATOM 364 N GLN A 24 6.083 8.833 -8.748 1.00 0.22 N ATOM 365 CA GLN A 24 7.480 8.650 -8.260 1.00 0.27 C ATOM 366 C GLN A 24 7.977 7.255 -8.644 1.00 0.23 C ATOM 367 O GLN A 24 7.229 6.297 -8.640 1.00 0.19 O ATOM 368 CB GLN A 24 7.511 8.801 -6.737 1.00 0.35 C ATOM 369 CG GLN A 24 6.982 10.183 -6.349 1.00 0.44 C ATOM 370 CD GLN A 24 8.077 10.961 -5.615 1.00 0.70 C ATOM 371 OE1 GLN A 24 9.214 10.981 -6.041 1.00 1.86 O ATOM 372 NE2 GLN A 24 7.778 11.606 -4.521 1.00 1.63 N ATOM 0 H GLN A 24 5.356 8.494 -8.118 1.00 0.22 H new ATOM 0 HA GLN A 24 8.125 9.402 -8.714 1.00 0.27 H new ATOM 0 HB2 GLN A 24 6.904 8.024 -6.272 1.00 0.35 H new ATOM 0 HB3 GLN A 24 8.529 8.673 -6.369 1.00 0.35 H new ATOM 0 HG2 GLN A 24 6.669 10.728 -7.240 1.00 0.44 H new ATOM 0 HG3 GLN A 24 6.103 10.082 -5.712 1.00 0.44 H new ATOM 0 HE21 GLN A 24 6.823 11.589 -4.164 1.00 1.63 H new ATOM 0 HE22 GLN A 24 8.499 12.127 -4.023 1.00 1.63 H new ATOM 381 N LYS A 25 9.233 7.132 -8.976 1.00 0.26 N ATOM 382 CA LYS A 25 9.774 5.798 -9.360 1.00 0.27 C ATOM 383 C LYS A 25 11.250 5.712 -8.962 1.00 0.37 C ATOM 384 O LYS A 25 12.133 5.942 -9.765 1.00 0.83 O ATOM 385 CB LYS A 25 9.642 5.610 -10.872 1.00 0.25 C ATOM 386 CG LYS A 25 8.183 5.311 -11.227 1.00 0.42 C ATOM 387 CD LYS A 25 8.072 5.016 -12.724 1.00 0.62 C ATOM 388 CE LYS A 25 6.606 4.770 -13.088 1.00 1.45 C ATOM 389 NZ LYS A 25 6.522 3.676 -14.097 1.00 2.30 N ATOM 0 H LYS A 25 9.907 7.897 -8.998 1.00 0.26 H new ATOM 0 HA LYS A 25 9.213 5.017 -8.847 1.00 0.27 H new ATOM 0 HB2 LYS A 25 9.976 6.508 -11.391 1.00 0.25 H new ATOM 0 HB3 LYS A 25 10.282 4.793 -11.204 1.00 0.25 H new ATOM 0 HG2 LYS A 25 7.825 4.458 -10.650 1.00 0.42 H new ATOM 0 HG3 LYS A 25 7.552 6.161 -10.965 1.00 0.42 H new ATOM 0 HD2 LYS A 25 8.465 5.853 -13.301 1.00 0.62 H new ATOM 0 HD3 LYS A 25 8.673 4.143 -12.979 1.00 0.62 H new ATOM 0 HE2 LYS A 25 6.039 4.502 -12.197 1.00 1.45 H new ATOM 0 HE3 LYS A 25 6.161 5.682 -13.486 1.00 1.45 H new ATOM 0 HZ1 LYS A 25 5.526 3.508 -14.345 1.00 2.30 H new ATOM 0 HZ2 LYS A 25 7.050 3.949 -14.950 1.00 2.30 H new ATOM 0 HZ3 LYS A 25 6.931 2.806 -13.701 1.00 2.30 H new ATOM 403 N THR A 26 11.524 5.381 -7.731 1.00 0.10 N ATOM 404 CA THR A 26 12.943 5.279 -7.285 1.00 0.06 C ATOM 405 C THR A 26 13.425 3.836 -7.448 1.00 0.05 C ATOM 406 O THR A 26 12.710 2.986 -7.940 1.00 0.08 O ATOM 407 CB THR A 26 13.046 5.688 -5.813 1.00 0.15 C ATOM 408 OG1 THR A 26 12.604 4.616 -4.993 1.00 0.16 O ATOM 409 CG2 THR A 26 12.173 6.919 -5.561 1.00 0.21 C ATOM 0 H THR A 26 10.828 5.177 -7.014 1.00 0.10 H new ATOM 0 HA THR A 26 13.563 5.941 -7.890 1.00 0.06 H new ATOM 0 HB THR A 26 14.083 5.925 -5.574 1.00 0.15 H new ATOM 0 HG1 THR A 26 12.412 4.951 -4.092 1.00 0.16 H new ATOM 0 HG21 THR A 26 12.247 7.209 -4.513 1.00 0.21 H new ATOM 0 HG22 THR A 26 12.513 7.741 -6.190 1.00 0.21 H new ATOM 0 HG23 THR A 26 11.136 6.685 -5.800 1.00 0.21 H new ATOM 417 N LEU A 27 14.631 3.551 -7.040 1.00 0.08 N ATOM 418 CA LEU A 27 15.152 2.162 -7.174 1.00 0.10 C ATOM 419 C LEU A 27 14.463 1.258 -6.149 1.00 0.08 C ATOM 420 O LEU A 27 14.532 0.047 -6.227 1.00 0.14 O ATOM 421 CB LEU A 27 16.665 2.154 -6.935 1.00 0.15 C ATOM 422 CG LEU A 27 16.965 2.487 -5.472 1.00 0.13 C ATOM 423 CD1 LEU A 27 17.336 1.206 -4.722 1.00 0.24 C ATOM 424 CD2 LEU A 27 18.137 3.470 -5.407 1.00 0.09 C ATOM 0 H LEU A 27 15.277 4.219 -6.620 1.00 0.08 H new ATOM 0 HA LEU A 27 14.946 1.793 -8.179 1.00 0.10 H new ATOM 0 HB2 LEU A 27 17.076 1.176 -7.186 1.00 0.15 H new ATOM 0 HB3 LEU A 27 17.149 2.880 -7.588 1.00 0.15 H new ATOM 0 HG LEU A 27 16.084 2.935 -5.012 1.00 0.13 H new ATOM 0 HD11 LEU A 27 17.550 1.443 -3.680 1.00 0.24 H new ATOM 0 HD12 LEU A 27 16.505 0.502 -4.771 1.00 0.24 H new ATOM 0 HD13 LEU A 27 18.218 0.758 -5.180 1.00 0.24 H new ATOM 0 HD21 LEU A 27 18.354 3.710 -4.366 1.00 0.09 H new ATOM 0 HD22 LEU A 27 19.016 3.018 -5.866 1.00 0.09 H new ATOM 0 HD23 LEU A 27 17.876 4.383 -5.943 1.00 0.09 H new ATOM 436 N CYS A 28 13.797 1.838 -5.188 1.00 0.04 N ATOM 437 CA CYS A 28 13.102 1.014 -4.160 1.00 0.03 C ATOM 438 C CYS A 28 12.073 0.111 -4.843 1.00 0.08 C ATOM 439 O CYS A 28 11.661 -0.896 -4.303 1.00 0.37 O ATOM 440 CB CYS A 28 12.393 1.934 -3.164 1.00 0.10 C ATOM 441 SG CYS A 28 12.807 1.431 -1.474 1.00 0.15 S ATOM 0 H CYS A 28 13.704 2.847 -5.071 1.00 0.04 H new ATOM 0 HA CYS A 28 13.831 0.400 -3.631 1.00 0.03 H new ATOM 0 HB2 CYS A 28 12.694 2.968 -3.331 1.00 0.10 H new ATOM 0 HB3 CYS A 28 11.314 1.888 -3.314 1.00 0.10 H new ATOM 446 N THR A 29 11.657 0.463 -6.028 1.00 0.21 N ATOM 447 CA THR A 29 10.655 -0.375 -6.746 1.00 0.16 C ATOM 448 C THR A 29 11.322 -1.669 -7.219 1.00 0.11 C ATOM 449 O THR A 29 10.665 -2.598 -7.644 1.00 0.21 O ATOM 450 CB THR A 29 10.118 0.394 -7.955 1.00 0.23 C ATOM 451 OG1 THR A 29 11.186 0.673 -8.849 1.00 0.26 O ATOM 452 CG2 THR A 29 9.485 1.705 -7.488 1.00 0.31 C ATOM 0 H THR A 29 11.967 1.295 -6.531 1.00 0.21 H new ATOM 0 HA THR A 29 9.831 -0.614 -6.074 1.00 0.16 H new ATOM 0 HB THR A 29 9.366 -0.208 -8.464 1.00 0.23 H new ATOM 0 HG1 THR A 29 11.676 1.463 -8.537 1.00 0.26 H new ATOM 0 HG21 THR A 29 9.103 2.252 -8.350 1.00 0.31 H new ATOM 0 HG22 THR A 29 8.665 1.489 -6.803 1.00 0.31 H new ATOM 0 HG23 THR A 29 10.235 2.310 -6.978 1.00 0.31 H new ATOM 460 N GLU A 30 12.624 -1.735 -7.150 1.00 0.30 N ATOM 461 CA GLU A 30 13.332 -2.968 -7.595 1.00 0.30 C ATOM 462 C GLU A 30 13.250 -4.028 -6.495 1.00 0.27 C ATOM 463 O GLU A 30 13.705 -5.143 -6.658 1.00 0.32 O ATOM 464 CB GLU A 30 14.799 -2.637 -7.877 1.00 0.38 C ATOM 465 CG GLU A 30 15.537 -3.907 -8.307 1.00 1.99 C ATOM 466 CD GLU A 30 16.222 -4.535 -7.091 1.00 3.69 C ATOM 467 OE1 GLU A 30 16.959 -3.831 -6.421 1.00 4.39 O ATOM 468 OE2 GLU A 30 15.999 -5.710 -6.852 1.00 4.64 O ATOM 0 H GLU A 30 13.227 -0.988 -6.805 1.00 0.30 H new ATOM 0 HA GLU A 30 12.864 -3.350 -8.502 1.00 0.30 H new ATOM 0 HB2 GLU A 30 14.868 -1.881 -8.659 1.00 0.38 H new ATOM 0 HB3 GLU A 30 15.266 -2.217 -6.986 1.00 0.38 H new ATOM 0 HG2 GLU A 30 14.837 -4.615 -8.749 1.00 1.99 H new ATOM 0 HG3 GLU A 30 16.276 -3.670 -9.072 1.00 1.99 H new ATOM 475 N LEU A 31 12.672 -3.691 -5.375 1.00 0.23 N ATOM 476 CA LEU A 31 12.560 -4.678 -4.265 1.00 0.20 C ATOM 477 C LEU A 31 11.329 -5.559 -4.488 1.00 0.18 C ATOM 478 O LEU A 31 10.307 -5.104 -4.963 1.00 0.28 O ATOM 479 CB LEU A 31 12.424 -3.937 -2.934 1.00 0.23 C ATOM 480 CG LEU A 31 13.556 -2.917 -2.797 1.00 0.29 C ATOM 481 CD1 LEU A 31 13.421 -2.179 -1.464 1.00 0.29 C ATOM 482 CD2 LEU A 31 14.903 -3.641 -2.845 1.00 0.36 C ATOM 0 H LEU A 31 12.272 -2.773 -5.181 1.00 0.23 H new ATOM 0 HA LEU A 31 13.454 -5.302 -4.242 1.00 0.20 H new ATOM 0 HB2 LEU A 31 11.459 -3.433 -2.884 1.00 0.23 H new ATOM 0 HB3 LEU A 31 12.457 -4.646 -2.107 1.00 0.23 H new ATOM 0 HG LEU A 31 13.499 -2.200 -3.616 1.00 0.29 H new ATOM 0 HD11 LEU A 31 14.228 -1.452 -1.367 1.00 0.29 H new ATOM 0 HD12 LEU A 31 12.462 -1.663 -1.429 1.00 0.29 H new ATOM 0 HD13 LEU A 31 13.477 -2.895 -0.644 1.00 0.29 H new ATOM 0 HD21 LEU A 31 15.710 -2.915 -2.747 1.00 0.36 H new ATOM 0 HD22 LEU A 31 14.960 -4.359 -2.027 1.00 0.36 H new ATOM 0 HD23 LEU A 31 15.000 -4.166 -3.795 1.00 0.36 H new ATOM 494 N THR A 32 11.417 -6.815 -4.147 1.00 0.17 N ATOM 495 CA THR A 32 10.251 -7.723 -4.339 1.00 0.16 C ATOM 496 C THR A 32 9.417 -7.762 -3.056 1.00 0.06 C ATOM 497 O THR A 32 9.919 -8.054 -1.989 1.00 0.18 O ATOM 498 CB THR A 32 10.749 -9.132 -4.666 1.00 0.25 C ATOM 499 OG1 THR A 32 11.951 -9.386 -3.950 1.00 0.35 O ATOM 500 CG2 THR A 32 11.014 -9.247 -6.168 1.00 0.38 C ATOM 0 H THR A 32 12.246 -7.252 -3.744 1.00 0.17 H new ATOM 0 HA THR A 32 9.637 -7.355 -5.161 1.00 0.16 H new ATOM 0 HB THR A 32 9.992 -9.861 -4.377 1.00 0.25 H new ATOM 0 HG1 THR A 32 11.850 -9.082 -3.024 1.00 0.35 H new ATOM 0 HG21 THR A 32 11.369 -10.251 -6.399 1.00 0.38 H new ATOM 0 HG22 THR A 32 10.092 -9.053 -6.716 1.00 0.38 H new ATOM 0 HG23 THR A 32 11.770 -8.519 -6.461 1.00 0.38 H new ATOM 508 N VAL A 33 8.149 -7.468 -3.153 1.00 0.13 N ATOM 509 CA VAL A 33 7.284 -7.487 -1.939 1.00 0.16 C ATOM 510 C VAL A 33 6.613 -8.857 -1.813 1.00 0.09 C ATOM 511 O VAL A 33 6.788 -9.724 -2.646 1.00 0.24 O ATOM 512 CB VAL A 33 6.212 -6.403 -2.060 1.00 0.37 C ATOM 513 CG1 VAL A 33 6.858 -5.094 -2.516 1.00 0.45 C ATOM 514 CG2 VAL A 33 5.164 -6.838 -3.088 1.00 0.47 C ATOM 0 H VAL A 33 7.675 -7.216 -4.020 1.00 0.13 H new ATOM 0 HA VAL A 33 7.893 -7.298 -1.055 1.00 0.16 H new ATOM 0 HB VAL A 33 5.735 -6.254 -1.091 1.00 0.37 H new ATOM 0 HG11 VAL A 33 6.094 -4.322 -2.602 1.00 0.45 H new ATOM 0 HG12 VAL A 33 7.606 -4.784 -1.787 1.00 0.45 H new ATOM 0 HG13 VAL A 33 7.335 -5.242 -3.485 1.00 0.45 H new ATOM 0 HG21 VAL A 33 4.399 -6.067 -3.176 1.00 0.47 H new ATOM 0 HG22 VAL A 33 5.643 -6.986 -4.056 1.00 0.47 H new ATOM 0 HG23 VAL A 33 4.703 -7.771 -2.765 1.00 0.47 H new ATOM 524 N THR A 34 5.847 -9.059 -0.776 1.00 0.12 N ATOM 525 CA THR A 34 5.165 -10.371 -0.597 1.00 0.05 C ATOM 526 C THR A 34 3.772 -10.312 -1.225 1.00 0.17 C ATOM 527 O THR A 34 2.924 -9.546 -0.809 1.00 0.34 O ATOM 528 CB THR A 34 5.039 -10.682 0.896 1.00 0.06 C ATOM 529 OG1 THR A 34 6.317 -10.577 1.509 1.00 0.43 O ATOM 530 CG2 THR A 34 4.499 -12.100 1.080 1.00 0.40 C ATOM 0 H THR A 34 5.664 -8.372 -0.045 1.00 0.12 H new ATOM 0 HA THR A 34 5.749 -11.153 -1.082 1.00 0.05 H new ATOM 0 HB THR A 34 4.353 -9.972 1.359 1.00 0.06 H new ATOM 0 HG1 THR A 34 6.238 -10.774 2.466 1.00 0.43 H new ATOM 0 HG21 THR A 34 4.410 -12.320 2.144 1.00 0.40 H new ATOM 0 HG22 THR A 34 3.519 -12.180 0.609 1.00 0.40 H new ATOM 0 HG23 THR A 34 5.183 -12.812 0.618 1.00 0.40 H new ATOM 538 N ASP A 35 3.526 -11.113 -2.226 1.00 0.17 N ATOM 539 CA ASP A 35 2.187 -11.100 -2.880 1.00 0.27 C ATOM 540 C ASP A 35 1.133 -11.609 -1.894 1.00 0.31 C ATOM 541 O ASP A 35 1.248 -12.690 -1.351 1.00 0.66 O ATOM 542 CB ASP A 35 2.214 -12.007 -4.112 1.00 0.32 C ATOM 543 CG ASP A 35 0.874 -11.912 -4.845 1.00 0.58 C ATOM 544 OD1 ASP A 35 -0.145 -12.116 -4.206 1.00 1.45 O ATOM 545 OD2 ASP A 35 0.890 -11.637 -6.034 1.00 0.93 O ATOM 0 H ASP A 35 4.195 -11.776 -2.619 1.00 0.17 H new ATOM 0 HA ASP A 35 1.939 -10.083 -3.183 1.00 0.27 H new ATOM 0 HB2 ASP A 35 3.026 -11.712 -4.777 1.00 0.32 H new ATOM 0 HB3 ASP A 35 2.405 -13.038 -3.814 1.00 0.32 H new ATOM 550 N ILE A 36 0.105 -10.840 -1.661 1.00 0.32 N ATOM 551 CA ILE A 36 -0.956 -11.279 -0.711 1.00 0.37 C ATOM 552 C ILE A 36 -2.072 -11.984 -1.485 1.00 0.49 C ATOM 553 O ILE A 36 -2.720 -12.879 -0.980 1.00 0.62 O ATOM 554 CB ILE A 36 -1.530 -10.059 0.011 1.00 0.21 C ATOM 555 CG1 ILE A 36 -2.217 -9.143 -1.004 1.00 0.16 C ATOM 556 CG2 ILE A 36 -0.399 -9.295 0.702 1.00 0.29 C ATOM 557 CD1 ILE A 36 -2.487 -7.781 -0.363 1.00 0.05 C ATOM 0 H ILE A 36 -0.046 -9.926 -2.088 1.00 0.32 H new ATOM 0 HA ILE A 36 -0.529 -11.966 0.019 1.00 0.37 H new ATOM 0 HB ILE A 36 -2.255 -10.386 0.756 1.00 0.21 H new ATOM 0 HG12 ILE A 36 -1.588 -9.023 -1.886 1.00 0.16 H new ATOM 0 HG13 ILE A 36 -3.153 -9.591 -1.339 1.00 0.16 H new ATOM 0 HG21 ILE A 36 -0.808 -8.426 1.216 1.00 0.29 H new ATOM 0 HG22 ILE A 36 0.092 -9.947 1.425 1.00 0.29 H new ATOM 0 HG23 ILE A 36 0.327 -8.968 -0.042 1.00 0.29 H new ATOM 0 HD11 ILE A 36 -2.976 -7.129 -1.087 1.00 0.05 H new ATOM 0 HD12 ILE A 36 -3.133 -7.909 0.505 1.00 0.05 H new ATOM 0 HD13 ILE A 36 -1.544 -7.333 -0.050 1.00 0.05 H new ATOM 569 N PHE A 37 -2.301 -11.587 -2.707 1.00 0.47 N ATOM 570 CA PHE A 37 -3.375 -12.235 -3.511 1.00 0.64 C ATOM 571 C PHE A 37 -2.904 -13.616 -3.973 1.00 0.80 C ATOM 572 O PHE A 37 -3.632 -14.347 -4.615 1.00 0.89 O ATOM 573 CB PHE A 37 -3.691 -11.369 -4.732 1.00 0.68 C ATOM 574 CG PHE A 37 -3.850 -9.930 -4.302 1.00 0.57 C ATOM 575 CD1 PHE A 37 -5.006 -9.526 -3.624 1.00 0.55 C ATOM 576 CD2 PHE A 37 -2.840 -9.001 -4.582 1.00 0.52 C ATOM 577 CE1 PHE A 37 -5.153 -8.192 -3.226 1.00 0.48 C ATOM 578 CE2 PHE A 37 -2.988 -7.667 -4.183 1.00 0.49 C ATOM 579 CZ PHE A 37 -4.144 -7.263 -3.505 1.00 0.48 C ATOM 0 H PHE A 37 -1.791 -10.843 -3.183 1.00 0.47 H new ATOM 0 HA PHE A 37 -4.271 -12.343 -2.900 1.00 0.64 H new ATOM 0 HB2 PHE A 37 -2.891 -11.453 -5.468 1.00 0.68 H new ATOM 0 HB3 PHE A 37 -4.605 -11.719 -5.213 1.00 0.68 H new ATOM 0 HD1 PHE A 37 -5.784 -10.243 -3.408 1.00 0.55 H new ATOM 0 HD2 PHE A 37 -1.948 -9.313 -5.105 1.00 0.52 H new ATOM 0 HE1 PHE A 37 -6.045 -7.880 -2.704 1.00 0.48 H new ATOM 0 HE2 PHE A 37 -2.210 -6.950 -4.398 1.00 0.49 H new ATOM 0 HZ PHE A 37 -4.257 -6.234 -3.197 1.00 0.48 H new ATOM 589 N ALA A 38 -1.693 -13.978 -3.652 1.00 0.87 N ATOM 590 CA ALA A 38 -1.177 -15.311 -4.072 1.00 1.05 C ATOM 591 C ALA A 38 -2.032 -16.411 -3.441 1.00 0.68 C ATOM 592 O ALA A 38 -1.829 -17.585 -3.683 1.00 0.64 O ATOM 593 CB ALA A 38 0.274 -15.465 -3.612 1.00 1.56 C ATOM 0 H ALA A 38 -1.038 -13.408 -3.117 1.00 0.87 H new ATOM 0 HA ALA A 38 -1.224 -15.393 -5.158 1.00 1.05 H new ATOM 0 HB1 ALA A 38 0.652 -16.440 -3.919 1.00 1.56 H new ATOM 0 HB2 ALA A 38 0.884 -14.682 -4.062 1.00 1.56 H new ATOM 0 HB3 ALA A 38 0.322 -15.383 -2.526 1.00 1.56 H new ATOM 599 N ALA A 39 -2.988 -16.042 -2.633 1.00 0.50 N ATOM 600 CA ALA A 39 -3.855 -17.067 -1.987 1.00 0.51 C ATOM 601 C ALA A 39 -5.099 -16.391 -1.407 1.00 0.36 C ATOM 602 O ALA A 39 -5.488 -16.645 -0.284 1.00 0.60 O ATOM 603 CB ALA A 39 -3.078 -17.757 -0.863 1.00 1.00 C ATOM 0 H ALA A 39 -3.206 -15.075 -2.392 1.00 0.50 H new ATOM 0 HA ALA A 39 -4.156 -17.807 -2.728 1.00 0.51 H new ATOM 0 HB1 ALA A 39 -3.712 -18.507 -0.390 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -2.192 -18.239 -1.276 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -2.776 -17.017 -0.122 1.00 1.00 H new ATOM 609 N SER A 40 -5.726 -15.533 -2.163 1.00 0.29 N ATOM 610 CA SER A 40 -6.944 -14.841 -1.654 1.00 0.53 C ATOM 611 C SER A 40 -8.188 -15.637 -2.057 1.00 0.85 C ATOM 612 O SER A 40 -9.004 -15.181 -2.832 1.00 1.43 O ATOM 613 CB SER A 40 -7.021 -13.437 -2.253 1.00 0.70 C ATOM 614 OG SER A 40 -8.313 -12.894 -2.012 1.00 0.92 O ATOM 0 H SER A 40 -5.448 -15.281 -3.111 1.00 0.29 H new ATOM 0 HA SER A 40 -6.894 -14.769 -0.567 1.00 0.53 H new ATOM 0 HB2 SER A 40 -6.257 -12.798 -1.811 1.00 0.70 H new ATOM 0 HB3 SER A 40 -6.824 -13.475 -3.324 1.00 0.70 H new ATOM 0 HG SER A 40 -8.985 -13.423 -2.491 1.00 0.92 H new ATOM 620 N LYS A 41 -8.338 -16.823 -1.535 1.00 0.82 N ATOM 621 CA LYS A 41 -9.529 -17.647 -1.888 1.00 1.09 C ATOM 622 C LYS A 41 -10.647 -17.388 -0.875 1.00 0.94 C ATOM 623 O LYS A 41 -11.466 -16.507 -1.051 1.00 1.09 O ATOM 624 CB LYS A 41 -9.151 -19.129 -1.862 1.00 1.39 C ATOM 625 CG LYS A 41 -7.989 -19.343 -0.890 1.00 0.61 C ATOM 626 CD LYS A 41 -7.771 -20.842 -0.677 1.00 0.67 C ATOM 627 CE LYS A 41 -6.281 -21.163 -0.803 1.00 0.42 C ATOM 628 NZ LYS A 41 -5.491 -20.181 -0.008 1.00 1.87 N ATOM 0 H LYS A 41 -7.688 -17.257 -0.880 1.00 0.82 H new ATOM 0 HA LYS A 41 -9.873 -17.378 -2.887 1.00 1.09 H new ATOM 0 HB2 LYS A 41 -10.009 -19.729 -1.557 1.00 1.39 H new ATOM 0 HB3 LYS A 41 -8.869 -19.461 -2.861 1.00 1.39 H new ATOM 0 HG2 LYS A 41 -7.082 -18.885 -1.285 1.00 0.61 H new ATOM 0 HG3 LYS A 41 -8.203 -18.857 0.062 1.00 0.61 H new ATOM 0 HD2 LYS A 41 -8.136 -21.137 0.307 1.00 0.67 H new ATOM 0 HD3 LYS A 41 -8.340 -21.411 -1.412 1.00 0.67 H new ATOM 0 HE2 LYS A 41 -6.085 -22.175 -0.449 1.00 0.42 H new ATOM 0 HE3 LYS A 41 -5.978 -21.127 -1.849 1.00 0.42 H new ATOM 0 HZ1 LYS A 41 -4.543 -20.566 0.176 1.00 1.87 H new ATOM 0 HZ2 LYS A 41 -5.406 -19.292 -0.540 1.00 1.87 H new ATOM 0 HZ3 LYS A 41 -5.972 -19.999 0.896 1.00 1.87 H new ATOM 642 N ASP A 42 -10.687 -18.147 0.185 1.00 0.98 N ATOM 643 CA ASP A 42 -11.752 -17.943 1.207 1.00 0.86 C ATOM 644 C ASP A 42 -11.532 -16.604 1.912 1.00 0.85 C ATOM 645 O ASP A 42 -12.403 -16.098 2.592 1.00 1.05 O ATOM 646 CB ASP A 42 -11.695 -19.075 2.235 1.00 0.80 C ATOM 647 CG ASP A 42 -12.397 -20.312 1.673 1.00 2.04 C ATOM 648 OD1 ASP A 42 -13.594 -20.238 1.445 1.00 3.04 O ATOM 649 OD2 ASP A 42 -11.728 -21.314 1.479 1.00 2.33 O ATOM 0 H ASP A 42 -10.029 -18.899 0.388 1.00 0.98 H new ATOM 0 HA ASP A 42 -12.727 -17.942 0.720 1.00 0.86 H new ATOM 0 HB2 ASP A 42 -10.658 -19.310 2.475 1.00 0.80 H new ATOM 0 HB3 ASP A 42 -12.174 -18.762 3.163 1.00 0.80 H new ATOM 654 N THR A 43 -10.374 -16.023 1.756 1.00 0.72 N ATOM 655 CA THR A 43 -10.100 -14.716 2.416 1.00 0.71 C ATOM 656 C THR A 43 -11.229 -13.735 2.094 1.00 0.55 C ATOM 657 O THR A 43 -12.168 -14.062 1.396 1.00 1.09 O ATOM 658 CB THR A 43 -8.773 -14.153 1.903 1.00 0.90 C ATOM 659 OG1 THR A 43 -8.919 -13.767 0.542 1.00 1.03 O ATOM 660 CG2 THR A 43 -7.684 -15.221 2.018 1.00 1.47 C ATOM 0 H THR A 43 -9.606 -16.398 1.200 1.00 0.72 H new ATOM 0 HA THR A 43 -10.040 -14.860 3.495 1.00 0.71 H new ATOM 0 HB THR A 43 -8.491 -13.285 2.500 1.00 0.90 H new ATOM 0 HG1 THR A 43 -8.317 -13.018 0.348 1.00 1.03 H new ATOM 0 HG21 THR A 43 -6.739 -14.818 1.652 1.00 1.47 H new ATOM 0 HG22 THR A 43 -7.573 -15.516 3.061 1.00 1.47 H new ATOM 0 HG23 THR A 43 -7.963 -16.090 1.423 1.00 1.47 H new ATOM 668 N THR A 44 -11.145 -12.534 2.597 1.00 0.83 N ATOM 669 CA THR A 44 -12.214 -11.534 2.320 1.00 0.59 C ATOM 670 C THR A 44 -11.599 -10.134 2.259 1.00 0.35 C ATOM 671 O THR A 44 -10.456 -9.932 2.618 1.00 0.33 O ATOM 672 CB THR A 44 -13.261 -11.583 3.436 1.00 0.66 C ATOM 673 OG1 THR A 44 -13.181 -12.835 4.103 1.00 1.90 O ATOM 674 CG2 THR A 44 -14.658 -11.411 2.835 1.00 1.32 C ATOM 0 H THR A 44 -10.382 -12.202 3.188 1.00 0.83 H new ATOM 0 HA THR A 44 -12.689 -11.765 1.366 1.00 0.59 H new ATOM 0 HB THR A 44 -13.073 -10.779 4.148 1.00 0.66 H new ATOM 0 HG1 THR A 44 -13.850 -12.868 4.819 1.00 1.90 H new ATOM 0 HG21 THR A 44 -15.403 -11.446 3.630 1.00 1.32 H new ATOM 0 HG22 THR A 44 -14.718 -10.450 2.323 1.00 1.32 H new ATOM 0 HG23 THR A 44 -14.849 -12.214 2.123 1.00 1.32 H new ATOM 682 N GLU A 45 -12.348 -9.166 1.807 1.00 0.37 N ATOM 683 CA GLU A 45 -11.806 -7.781 1.724 1.00 0.15 C ATOM 684 C GLU A 45 -11.111 -7.424 3.040 1.00 0.11 C ATOM 685 O GLU A 45 -10.006 -6.921 3.053 1.00 0.17 O ATOM 686 CB GLU A 45 -12.951 -6.798 1.469 1.00 0.09 C ATOM 687 CG GLU A 45 -14.149 -7.552 0.888 1.00 0.25 C ATOM 688 CD GLU A 45 -15.161 -6.549 0.330 1.00 0.86 C ATOM 689 OE1 GLU A 45 -14.910 -6.016 -0.738 1.00 1.63 O ATOM 690 OE2 GLU A 45 -16.170 -6.329 0.981 1.00 1.50 O ATOM 0 H GLU A 45 -13.312 -9.275 1.492 1.00 0.37 H new ATOM 0 HA GLU A 45 -11.088 -7.722 0.906 1.00 0.15 H new ATOM 0 HB2 GLU A 45 -13.234 -6.304 2.398 1.00 0.09 H new ATOM 0 HB3 GLU A 45 -12.629 -6.018 0.779 1.00 0.09 H new ATOM 0 HG2 GLU A 45 -13.819 -8.229 0.100 1.00 0.25 H new ATOM 0 HG3 GLU A 45 -14.616 -8.165 1.659 1.00 0.25 H new ATOM 697 N LYS A 46 -11.751 -7.682 4.147 1.00 0.13 N ATOM 698 CA LYS A 46 -11.128 -7.357 5.461 1.00 0.22 C ATOM 699 C LYS A 46 -9.720 -7.953 5.519 1.00 0.24 C ATOM 700 O LYS A 46 -8.748 -7.256 5.729 1.00 0.21 O ATOM 701 CB LYS A 46 -11.978 -7.946 6.588 1.00 0.36 C ATOM 702 CG LYS A 46 -13.172 -7.030 6.861 1.00 0.25 C ATOM 703 CD LYS A 46 -12.803 -6.020 7.950 1.00 0.56 C ATOM 704 CE LYS A 46 -13.978 -5.068 8.183 1.00 0.61 C ATOM 705 NZ LYS A 46 -15.013 -5.751 9.011 1.00 1.02 N ATOM 0 H LYS A 46 -12.678 -8.104 4.199 1.00 0.13 H new ATOM 0 HA LYS A 46 -11.070 -6.275 5.578 1.00 0.22 H new ATOM 0 HB2 LYS A 46 -12.326 -8.942 6.313 1.00 0.36 H new ATOM 0 HB3 LYS A 46 -11.377 -8.056 7.491 1.00 0.36 H new ATOM 0 HG2 LYS A 46 -13.459 -6.508 5.948 1.00 0.25 H new ATOM 0 HG3 LYS A 46 -14.033 -7.621 7.175 1.00 0.25 H new ATOM 0 HD2 LYS A 46 -12.554 -6.541 8.875 1.00 0.56 H new ATOM 0 HD3 LYS A 46 -11.918 -5.457 7.654 1.00 0.56 H new ATOM 0 HE2 LYS A 46 -13.634 -4.164 8.685 1.00 0.61 H new ATOM 0 HE3 LYS A 46 -14.405 -4.760 7.229 1.00 0.61 H new ATOM 0 HZ1 LYS A 46 -15.789 -5.089 9.213 1.00 1.02 H new ATOM 0 HZ2 LYS A 46 -15.385 -6.573 8.493 1.00 1.02 H new ATOM 0 HZ3 LYS A 46 -14.588 -6.069 9.905 1.00 1.02 H new ATOM 719 N GLU A 47 -9.602 -9.241 5.337 1.00 0.35 N ATOM 720 CA GLU A 47 -8.257 -9.880 5.383 1.00 0.40 C ATOM 721 C GLU A 47 -7.418 -9.392 4.199 1.00 0.38 C ATOM 722 O GLU A 47 -6.215 -9.556 4.171 1.00 0.50 O ATOM 723 CB GLU A 47 -8.413 -11.401 5.304 1.00 0.46 C ATOM 724 CG GLU A 47 -9.118 -11.907 6.564 1.00 0.55 C ATOM 725 CD GLU A 47 -9.068 -13.436 6.597 1.00 1.49 C ATOM 726 OE1 GLU A 47 -8.795 -14.023 5.563 1.00 2.26 O ATOM 727 OE2 GLU A 47 -9.305 -13.993 7.656 1.00 1.77 O ATOM 0 H GLU A 47 -10.379 -9.877 5.159 1.00 0.35 H new ATOM 0 HA GLU A 47 -7.760 -9.612 6.315 1.00 0.40 H new ATOM 0 HB2 GLU A 47 -8.988 -11.673 4.419 1.00 0.46 H new ATOM 0 HB3 GLU A 47 -7.435 -11.873 5.207 1.00 0.46 H new ATOM 0 HG2 GLU A 47 -8.637 -11.497 7.452 1.00 0.55 H new ATOM 0 HG3 GLU A 47 -10.153 -11.566 6.576 1.00 0.55 H new ATOM 734 N THR A 48 -8.044 -8.794 3.223 1.00 0.26 N ATOM 735 CA THR A 48 -7.280 -8.297 2.043 1.00 0.28 C ATOM 736 C THR A 48 -6.560 -6.999 2.413 1.00 0.22 C ATOM 737 O THR A 48 -5.412 -6.796 2.070 1.00 0.42 O ATOM 738 CB THR A 48 -8.245 -8.034 0.885 1.00 0.29 C ATOM 739 OG1 THR A 48 -9.182 -9.098 0.799 1.00 0.31 O ATOM 740 CG2 THR A 48 -7.459 -7.937 -0.424 1.00 0.34 C ATOM 0 H THR A 48 -9.050 -8.628 3.191 1.00 0.26 H new ATOM 0 HA THR A 48 -6.547 -9.046 1.742 1.00 0.28 H new ATOM 0 HB THR A 48 -8.774 -7.097 1.059 1.00 0.29 H new ATOM 0 HG1 THR A 48 -9.194 -9.592 1.645 1.00 0.31 H new ATOM 0 HG21 THR A 48 -8.147 -7.750 -1.248 1.00 0.34 H new ATOM 0 HG22 THR A 48 -6.741 -7.120 -0.358 1.00 0.34 H new ATOM 0 HG23 THR A 48 -6.928 -8.873 -0.600 1.00 0.34 H new ATOM 748 N PHE A 49 -7.224 -6.118 3.109 1.00 0.04 N ATOM 749 CA PHE A 49 -6.575 -4.834 3.498 1.00 0.11 C ATOM 750 C PHE A 49 -5.527 -5.100 4.581 1.00 0.13 C ATOM 751 O PHE A 49 -4.521 -4.425 4.663 1.00 0.16 O ATOM 752 CB PHE A 49 -7.634 -3.870 4.039 1.00 0.17 C ATOM 753 CG PHE A 49 -8.686 -3.633 2.983 1.00 0.19 C ATOM 754 CD1 PHE A 49 -8.383 -2.866 1.852 1.00 0.27 C ATOM 755 CD2 PHE A 49 -9.967 -4.180 3.134 1.00 0.18 C ATOM 756 CE1 PHE A 49 -9.358 -2.646 0.872 1.00 0.31 C ATOM 757 CE2 PHE A 49 -10.942 -3.960 2.155 1.00 0.19 C ATOM 758 CZ PHE A 49 -10.637 -3.193 1.024 1.00 0.25 C ATOM 0 H PHE A 49 -8.187 -6.231 3.425 1.00 0.04 H new ATOM 0 HA PHE A 49 -6.093 -4.392 2.626 1.00 0.11 H new ATOM 0 HB2 PHE A 49 -8.092 -4.283 4.937 1.00 0.17 H new ATOM 0 HB3 PHE A 49 -7.170 -2.926 4.323 1.00 0.17 H new ATOM 0 HD1 PHE A 49 -7.396 -2.444 1.735 1.00 0.27 H new ATOM 0 HD2 PHE A 49 -10.202 -4.772 4.006 1.00 0.18 H new ATOM 0 HE1 PHE A 49 -9.123 -2.055 -0.001 1.00 0.31 H new ATOM 0 HE2 PHE A 49 -11.929 -4.382 2.272 1.00 0.19 H new ATOM 0 HZ PHE A 49 -11.390 -3.023 0.268 1.00 0.25 H new ATOM 768 N CYS A 50 -5.755 -6.080 5.413 1.00 0.16 N ATOM 769 CA CYS A 50 -4.771 -6.387 6.488 1.00 0.22 C ATOM 770 C CYS A 50 -3.484 -6.928 5.863 1.00 0.20 C ATOM 771 O CYS A 50 -2.433 -6.325 5.961 1.00 0.20 O ATOM 772 CB CYS A 50 -5.359 -7.437 7.433 1.00 0.27 C ATOM 773 SG CYS A 50 -4.014 -8.344 8.235 1.00 0.43 S ATOM 0 H CYS A 50 -6.579 -6.680 5.394 1.00 0.16 H new ATOM 0 HA CYS A 50 -4.549 -5.478 7.047 1.00 0.22 H new ATOM 0 HB2 CYS A 50 -5.986 -6.956 8.184 1.00 0.27 H new ATOM 0 HB3 CYS A 50 -5.997 -8.125 6.878 1.00 0.27 H new ATOM 778 N ARG A 51 -3.557 -8.062 5.220 1.00 0.20 N ATOM 779 CA ARG A 51 -2.337 -8.640 4.590 1.00 0.19 C ATOM 780 C ARG A 51 -1.624 -7.560 3.773 1.00 0.18 C ATOM 781 O ARG A 51 -0.418 -7.427 3.821 1.00 0.15 O ATOM 782 CB ARG A 51 -2.736 -9.796 3.670 1.00 0.19 C ATOM 783 CG ARG A 51 -3.158 -11.000 4.515 1.00 0.27 C ATOM 784 CD ARG A 51 -3.430 -12.195 3.601 1.00 0.40 C ATOM 785 NE ARG A 51 -3.530 -13.435 4.421 1.00 1.16 N ATOM 786 CZ ARG A 51 -4.047 -14.517 3.907 1.00 1.30 C ATOM 787 NH1 ARG A 51 -4.476 -14.515 2.675 1.00 0.62 N ATOM 788 NH2 ARG A 51 -4.135 -15.604 4.626 1.00 2.34 N ATOM 0 H ARG A 51 -4.408 -8.612 5.104 1.00 0.20 H new ATOM 0 HA ARG A 51 -1.667 -9.009 5.367 1.00 0.19 H new ATOM 0 HB2 ARG A 51 -3.555 -9.490 3.019 1.00 0.19 H new ATOM 0 HB3 ARG A 51 -1.900 -10.066 3.025 1.00 0.19 H new ATOM 0 HG2 ARG A 51 -2.374 -11.247 5.231 1.00 0.27 H new ATOM 0 HG3 ARG A 51 -4.051 -10.758 5.091 1.00 0.27 H new ATOM 0 HD2 ARG A 51 -4.354 -12.038 3.045 1.00 0.40 H new ATOM 0 HD3 ARG A 51 -2.630 -12.295 2.867 1.00 0.40 H new ATOM 0 HE ARG A 51 -3.194 -13.438 5.384 1.00 1.16 H new ATOM 0 HH11 ARG A 51 -4.407 -13.667 2.112 1.00 0.62 H new ATOM 0 HH12 ARG A 51 -4.880 -15.362 2.274 1.00 0.62 H new ATOM 0 HH21 ARG A 51 -3.800 -15.607 5.589 1.00 2.34 H new ATOM 0 HH22 ARG A 51 -4.539 -16.450 4.224 1.00 2.34 H new ATOM 802 N ALA A 52 -2.363 -6.788 3.024 1.00 0.19 N ATOM 803 CA ALA A 52 -1.728 -5.717 2.205 1.00 0.18 C ATOM 804 C ALA A 52 -0.972 -4.756 3.125 1.00 0.18 C ATOM 805 O ALA A 52 0.053 -4.212 2.763 1.00 0.31 O ATOM 806 CB ALA A 52 -2.809 -4.949 1.442 1.00 0.23 C ATOM 0 H ALA A 52 -3.378 -6.852 2.944 1.00 0.19 H new ATOM 0 HA ALA A 52 -1.033 -6.165 1.495 1.00 0.18 H new ATOM 0 HB1 ALA A 52 -2.345 -4.166 0.843 1.00 0.23 H new ATOM 0 HB2 ALA A 52 -3.349 -5.634 0.788 1.00 0.23 H new ATOM 0 HB3 ALA A 52 -3.505 -4.500 2.151 1.00 0.23 H new ATOM 812 N ALA A 53 -1.469 -4.542 4.312 1.00 0.35 N ATOM 813 CA ALA A 53 -0.779 -3.615 5.254 1.00 0.34 C ATOM 814 C ALA A 53 0.449 -4.309 5.846 1.00 0.31 C ATOM 815 O ALA A 53 1.527 -3.751 5.894 1.00 0.29 O ATOM 816 CB ALA A 53 -1.738 -3.226 6.380 1.00 0.39 C ATOM 0 H ALA A 53 -2.323 -4.969 4.671 1.00 0.35 H new ATOM 0 HA ALA A 53 -0.466 -2.719 4.718 1.00 0.34 H new ATOM 0 HB1 ALA A 53 -1.234 -2.548 7.069 1.00 0.39 H new ATOM 0 HB2 ALA A 53 -2.613 -2.731 5.958 1.00 0.39 H new ATOM 0 HB3 ALA A 53 -2.052 -4.122 6.916 1.00 0.39 H new ATOM 822 N THR A 54 0.295 -5.524 6.297 1.00 0.31 N ATOM 823 CA THR A 54 1.456 -6.251 6.886 1.00 0.27 C ATOM 824 C THR A 54 2.665 -6.113 5.959 1.00 0.24 C ATOM 825 O THR A 54 3.775 -5.890 6.400 1.00 0.25 O ATOM 826 CB THR A 54 1.101 -7.732 7.046 1.00 0.29 C ATOM 827 OG1 THR A 54 -0.134 -7.849 7.739 1.00 0.33 O ATOM 828 CG2 THR A 54 2.202 -8.439 7.838 1.00 0.27 C ATOM 0 H THR A 54 -0.582 -6.044 6.283 1.00 0.31 H new ATOM 0 HA THR A 54 1.695 -5.827 7.861 1.00 0.27 H new ATOM 0 HB THR A 54 1.011 -8.193 6.063 1.00 0.29 H new ATOM 0 HG1 THR A 54 -0.364 -8.796 7.841 1.00 0.33 H new ATOM 0 HG21 THR A 54 1.949 -9.493 7.952 1.00 0.27 H new ATOM 0 HG22 THR A 54 3.149 -8.349 7.305 1.00 0.27 H new ATOM 0 HG23 THR A 54 2.294 -7.980 8.822 1.00 0.27 H new ATOM 836 N VAL A 55 2.459 -6.244 4.678 1.00 0.20 N ATOM 837 CA VAL A 55 3.595 -6.119 3.723 1.00 0.17 C ATOM 838 C VAL A 55 4.082 -4.669 3.698 1.00 0.16 C ATOM 839 O VAL A 55 5.212 -4.376 4.037 1.00 0.11 O ATOM 840 CB VAL A 55 3.131 -6.525 2.323 1.00 0.24 C ATOM 841 CG1 VAL A 55 4.288 -6.370 1.334 1.00 0.17 C ATOM 842 CG2 VAL A 55 2.670 -7.984 2.342 1.00 0.31 C ATOM 0 H VAL A 55 1.552 -6.432 4.251 1.00 0.20 H new ATOM 0 HA VAL A 55 4.409 -6.771 4.039 1.00 0.17 H new ATOM 0 HB VAL A 55 2.304 -5.885 2.016 1.00 0.24 H new ATOM 0 HG11 VAL A 55 3.956 -6.660 0.337 1.00 0.17 H new ATOM 0 HG12 VAL A 55 4.617 -5.331 1.319 1.00 0.17 H new ATOM 0 HG13 VAL A 55 5.116 -7.009 1.640 1.00 0.17 H new ATOM 0 HG21 VAL A 55 2.339 -8.274 1.345 1.00 0.31 H new ATOM 0 HG22 VAL A 55 3.498 -8.623 2.650 1.00 0.31 H new ATOM 0 HG23 VAL A 55 1.844 -8.096 3.045 1.00 0.31 H new ATOM 852 N LEU A 56 3.237 -3.760 3.298 1.00 0.23 N ATOM 853 CA LEU A 56 3.648 -2.329 3.251 1.00 0.28 C ATOM 854 C LEU A 56 4.344 -1.956 4.561 1.00 0.25 C ATOM 855 O LEU A 56 5.219 -1.114 4.594 1.00 0.30 O ATOM 856 CB LEU A 56 2.407 -1.450 3.063 1.00 0.37 C ATOM 857 CG LEU A 56 2.001 -1.434 1.585 1.00 0.30 C ATOM 858 CD1 LEU A 56 0.535 -1.014 1.467 1.00 0.48 C ATOM 859 CD2 LEU A 56 2.872 -0.437 0.808 1.00 0.81 C ATOM 0 H LEU A 56 2.279 -3.946 3.001 1.00 0.23 H new ATOM 0 HA LEU A 56 4.334 -2.173 2.419 1.00 0.28 H new ATOM 0 HB2 LEU A 56 1.586 -1.830 3.671 1.00 0.37 H new ATOM 0 HB3 LEU A 56 2.614 -0.435 3.404 1.00 0.37 H new ATOM 0 HG LEU A 56 2.139 -2.432 1.169 1.00 0.30 H new ATOM 0 HD11 LEU A 56 0.243 -1.002 0.417 1.00 0.48 H new ATOM 0 HD12 LEU A 56 -0.091 -1.722 2.009 1.00 0.48 H new ATOM 0 HD13 LEU A 56 0.407 -0.018 1.891 1.00 0.48 H new ATOM 0 HD21 LEU A 56 2.575 -0.434 -0.241 1.00 0.81 H new ATOM 0 HD22 LEU A 56 2.742 0.562 1.225 1.00 0.81 H new ATOM 0 HD23 LEU A 56 3.919 -0.730 0.887 1.00 0.81 H new ATOM 871 N ARG A 57 3.963 -2.577 5.643 1.00 0.20 N ATOM 872 CA ARG A 57 4.604 -2.256 6.949 1.00 0.19 C ATOM 873 C ARG A 57 6.083 -2.649 6.902 1.00 0.19 C ATOM 874 O ARG A 57 6.960 -1.813 6.998 1.00 0.23 O ATOM 875 CB ARG A 57 3.904 -3.035 8.065 1.00 0.15 C ATOM 876 CG ARG A 57 4.506 -2.643 9.416 1.00 0.47 C ATOM 877 CD ARG A 57 3.568 -3.085 10.541 1.00 0.17 C ATOM 878 NE ARG A 57 3.269 -4.537 10.397 1.00 1.51 N ATOM 879 CZ ARG A 57 2.741 -5.196 11.392 1.00 1.56 C ATOM 880 NH1 ARG A 57 2.474 -4.583 12.512 1.00 0.20 N ATOM 881 NH2 ARG A 57 2.479 -6.469 11.266 1.00 3.03 N ATOM 0 H ARG A 57 3.236 -3.292 5.679 1.00 0.20 H new ATOM 0 HA ARG A 57 4.519 -1.187 7.143 1.00 0.19 H new ATOM 0 HB2 ARG A 57 2.835 -2.823 8.056 1.00 0.15 H new ATOM 0 HB3 ARG A 57 4.018 -4.107 7.901 1.00 0.15 H new ATOM 0 HG2 ARG A 57 5.484 -3.109 9.539 1.00 0.47 H new ATOM 0 HG3 ARG A 57 4.659 -1.565 9.459 1.00 0.47 H new ATOM 0 HD2 ARG A 57 4.029 -2.892 11.510 1.00 0.17 H new ATOM 0 HD3 ARG A 57 2.644 -2.507 10.507 1.00 0.17 H new ATOM 0 HE ARG A 57 3.477 -5.016 9.521 1.00 1.51 H new ATOM 0 HH11 ARG A 57 2.678 -3.588 12.610 1.00 0.20 H new ATOM 0 HH12 ARG A 57 2.061 -5.098 13.290 1.00 0.20 H new ATOM 0 HH21 ARG A 57 2.687 -6.948 10.390 1.00 3.03 H new ATOM 0 HH22 ARG A 57 2.066 -6.984 12.044 1.00 3.03 H new ATOM 895 N GLN A 58 6.366 -3.915 6.759 1.00 0.14 N ATOM 896 CA GLN A 58 7.787 -4.360 6.710 1.00 0.15 C ATOM 897 C GLN A 58 8.467 -3.780 5.468 1.00 0.17 C ATOM 898 O GLN A 58 9.642 -3.990 5.240 1.00 0.18 O ATOM 899 CB GLN A 58 7.840 -5.888 6.653 1.00 0.12 C ATOM 900 CG GLN A 58 6.984 -6.386 5.487 1.00 0.17 C ATOM 901 CD GLN A 58 6.926 -7.914 5.511 1.00 0.74 C ATOM 902 OE1 GLN A 58 7.135 -8.557 4.501 1.00 0.82 O ATOM 903 NE2 GLN A 58 6.650 -8.527 6.629 1.00 2.10 N ATOM 0 H GLN A 58 5.675 -4.660 6.674 1.00 0.14 H new ATOM 0 HA GLN A 58 8.306 -4.009 7.602 1.00 0.15 H new ATOM 0 HB2 GLN A 58 8.870 -6.222 6.530 1.00 0.12 H new ATOM 0 HB3 GLN A 58 7.477 -6.310 7.590 1.00 0.12 H new ATOM 0 HG2 GLN A 58 5.978 -5.972 5.558 1.00 0.17 H new ATOM 0 HG3 GLN A 58 7.404 -6.042 4.542 1.00 0.17 H new ATOM 0 HE21 GLN A 58 6.475 -7.987 7.477 1.00 2.10 H new ATOM 0 HE22 GLN A 58 6.610 -9.546 6.655 1.00 2.10 H new ATOM 912 N PHE A 59 7.742 -3.055 4.661 1.00 0.18 N ATOM 913 CA PHE A 59 8.357 -2.470 3.435 1.00 0.20 C ATOM 914 C PHE A 59 9.036 -1.141 3.776 1.00 0.26 C ATOM 915 O PHE A 59 10.245 -1.028 3.758 1.00 0.31 O ATOM 916 CB PHE A 59 7.274 -2.229 2.382 1.00 0.21 C ATOM 917 CG PHE A 59 7.919 -1.790 1.090 1.00 0.24 C ATOM 918 CD1 PHE A 59 8.354 -2.745 0.162 1.00 0.28 C ATOM 919 CD2 PHE A 59 8.086 -0.426 0.819 1.00 0.22 C ATOM 920 CE1 PHE A 59 8.954 -2.337 -1.035 1.00 0.30 C ATOM 921 CE2 PHE A 59 8.685 -0.018 -0.378 1.00 0.24 C ATOM 922 CZ PHE A 59 9.119 -0.973 -1.305 1.00 0.28 C ATOM 0 H PHE A 59 6.754 -2.843 4.796 1.00 0.18 H new ATOM 0 HA PHE A 59 9.100 -3.165 3.044 1.00 0.20 H new ATOM 0 HB2 PHE A 59 6.698 -3.140 2.222 1.00 0.21 H new ATOM 0 HB3 PHE A 59 6.576 -1.467 2.730 1.00 0.21 H new ATOM 0 HD1 PHE A 59 8.226 -3.797 0.370 1.00 0.28 H new ATOM 0 HD2 PHE A 59 7.752 0.311 1.534 1.00 0.22 H new ATOM 0 HE1 PHE A 59 9.289 -3.074 -1.750 1.00 0.30 H new ATOM 0 HE2 PHE A 59 8.813 1.034 -0.587 1.00 0.24 H new ATOM 0 HZ PHE A 59 9.581 -0.658 -2.229 1.00 0.28 H new ATOM 932 N TYR A 60 8.269 -0.128 4.081 1.00 0.27 N ATOM 933 CA TYR A 60 8.878 1.192 4.412 1.00 0.33 C ATOM 934 C TYR A 60 9.445 1.163 5.833 1.00 0.36 C ATOM 935 O TYR A 60 10.043 2.116 6.291 1.00 0.43 O ATOM 936 CB TYR A 60 7.814 2.290 4.308 1.00 0.37 C ATOM 937 CG TYR A 60 6.746 2.066 5.350 1.00 0.39 C ATOM 938 CD1 TYR A 60 6.962 2.465 6.675 1.00 0.43 C ATOM 939 CD2 TYR A 60 5.537 1.458 4.991 1.00 0.37 C ATOM 940 CE1 TYR A 60 5.969 2.257 7.640 1.00 0.44 C ATOM 941 CE2 TYR A 60 4.544 1.250 5.956 1.00 0.38 C ATOM 942 CZ TYR A 60 4.761 1.648 7.280 1.00 0.41 C ATOM 943 OH TYR A 60 3.782 1.443 8.231 1.00 0.43 O ATOM 0 H TYR A 60 7.250 -0.158 4.115 1.00 0.27 H new ATOM 0 HA TYR A 60 9.684 1.399 3.708 1.00 0.33 H new ATOM 0 HB2 TYR A 60 8.273 3.269 4.449 1.00 0.37 H new ATOM 0 HB3 TYR A 60 7.370 2.286 3.312 1.00 0.37 H new ATOM 0 HD1 TYR A 60 7.895 2.933 6.953 1.00 0.43 H new ATOM 0 HD2 TYR A 60 5.370 1.149 3.970 1.00 0.37 H new ATOM 0 HE1 TYR A 60 6.135 2.566 8.661 1.00 0.44 H new ATOM 0 HE2 TYR A 60 3.611 0.783 5.679 1.00 0.38 H new ATOM 0 HH TYR A 60 3.240 0.666 7.980 1.00 0.43 H new ATOM 953 N SER A 61 9.264 0.080 6.538 1.00 0.31 N ATOM 954 CA SER A 61 9.798 0.002 7.927 1.00 0.34 C ATOM 955 C SER A 61 11.208 -0.590 7.900 1.00 0.34 C ATOM 956 O SER A 61 12.080 -0.174 8.636 1.00 0.36 O ATOM 957 CB SER A 61 8.888 -0.885 8.777 1.00 0.34 C ATOM 958 OG SER A 61 7.569 -0.357 8.762 1.00 0.35 O ATOM 0 H SER A 61 8.771 -0.752 6.213 1.00 0.31 H new ATOM 0 HA SER A 61 9.833 1.003 8.358 1.00 0.34 H new ATOM 0 HB2 SER A 61 8.889 -1.904 8.389 1.00 0.34 H new ATOM 0 HB3 SER A 61 9.261 -0.933 9.800 1.00 0.34 H new ATOM 0 HG SER A 61 7.158 -0.528 7.889 1.00 0.35 H new ATOM 964 N HIS A 62 11.440 -1.558 7.057 1.00 0.33 N ATOM 965 CA HIS A 62 12.794 -2.175 6.983 1.00 0.33 C ATOM 966 C HIS A 62 13.643 -1.423 5.957 1.00 0.34 C ATOM 967 O HIS A 62 14.726 -0.957 6.253 1.00 0.67 O ATOM 968 CB HIS A 62 12.667 -3.641 6.564 1.00 0.31 C ATOM 969 CG HIS A 62 12.255 -4.469 7.749 1.00 0.31 C ATOM 970 ND1 HIS A 62 12.905 -5.644 8.093 1.00 1.06 N ATOM 971 CD2 HIS A 62 11.260 -4.306 8.682 1.00 1.54 C ATOM 972 CE1 HIS A 62 12.301 -6.137 9.188 1.00 0.64 C ATOM 973 NE2 HIS A 62 11.291 -5.360 9.589 1.00 0.95 N ATOM 0 H HIS A 62 10.750 -1.949 6.416 1.00 0.33 H new ATOM 0 HA HIS A 62 13.271 -2.118 7.961 1.00 0.33 H new ATOM 0 HB2 HIS A 62 11.932 -3.739 5.765 1.00 0.31 H new ATOM 0 HB3 HIS A 62 13.617 -4.001 6.169 1.00 0.31 H new ATOM 0 HD2 HIS A 62 10.560 -3.484 8.707 1.00 1.54 H new ATOM 0 HE1 HIS A 62 12.596 -7.050 9.683 1.00 0.64 H new ATOM 0 HE2 HIS A 62 10.675 -5.508 10.388 1.00 0.95 H new ATOM 981 N HIS A 63 13.161 -1.302 4.750 1.00 0.25 N ATOM 982 CA HIS A 63 13.942 -0.581 3.705 1.00 0.22 C ATOM 983 C HIS A 63 14.361 0.791 4.236 1.00 0.20 C ATOM 984 O HIS A 63 15.515 1.166 4.176 1.00 0.15 O ATOM 985 CB HIS A 63 13.076 -0.402 2.456 1.00 0.22 C ATOM 986 CG HIS A 63 12.622 -1.749 1.964 1.00 0.28 C ATOM 987 ND1 HIS A 63 13.485 -2.829 1.868 1.00 0.43 N ATOM 988 CD2 HIS A 63 11.400 -2.204 1.536 1.00 0.42 C ATOM 989 CE1 HIS A 63 12.776 -3.873 1.398 1.00 0.56 C ATOM 990 NE2 HIS A 63 11.499 -3.546 1.181 1.00 0.54 N ATOM 0 H HIS A 63 12.261 -1.671 4.443 1.00 0.25 H new ATOM 0 HA HIS A 63 14.831 -1.159 3.452 1.00 0.22 H new ATOM 0 HB2 HIS A 63 12.213 0.223 2.685 1.00 0.22 H new ATOM 0 HB3 HIS A 63 13.642 0.109 1.678 1.00 0.22 H new ATOM 0 HD2 HIS A 63 10.499 -1.611 1.483 1.00 0.42 H new ATOM 0 HE1 HIS A 63 13.189 -4.855 1.218 1.00 0.56 H new ATOM 0 HE2 HIS A 63 10.756 -4.150 0.830 1.00 0.54 H new ATOM 998 N GLU A 64 13.430 1.545 4.756 1.00 0.24 N ATOM 999 CA GLU A 64 13.774 2.893 5.291 1.00 0.23 C ATOM 1000 C GLU A 64 15.020 2.792 6.174 1.00 0.22 C ATOM 1001 O GLU A 64 15.744 3.751 6.355 1.00 0.21 O ATOM 1002 CB GLU A 64 12.604 3.426 6.120 1.00 0.28 C ATOM 1003 CG GLU A 64 12.983 4.776 6.731 1.00 0.33 C ATOM 1004 CD GLU A 64 13.347 4.586 8.204 1.00 0.88 C ATOM 1005 OE1 GLU A 64 12.450 4.316 8.986 1.00 1.72 O ATOM 1006 OE2 GLU A 64 14.517 4.714 8.526 1.00 1.84 O ATOM 0 H GLU A 64 12.447 1.285 4.833 1.00 0.24 H new ATOM 0 HA GLU A 64 13.972 3.572 4.462 1.00 0.23 H new ATOM 0 HB2 GLU A 64 11.720 3.535 5.492 1.00 0.28 H new ATOM 0 HB3 GLU A 64 12.350 2.717 6.908 1.00 0.28 H new ATOM 0 HG2 GLU A 64 13.825 5.208 6.190 1.00 0.33 H new ATOM 0 HG3 GLU A 64 12.152 5.475 6.638 1.00 0.33 H new ATOM 1013 N LYS A 65 15.275 1.637 6.725 1.00 0.26 N ATOM 1014 CA LYS A 65 16.474 1.477 7.595 1.00 0.26 C ATOM 1015 C LYS A 65 17.679 1.084 6.738 1.00 0.19 C ATOM 1016 O LYS A 65 18.811 1.373 7.071 1.00 0.16 O ATOM 1017 CB LYS A 65 16.209 0.386 8.634 1.00 0.34 C ATOM 1018 CG LYS A 65 16.083 1.019 10.020 1.00 0.54 C ATOM 1019 CD LYS A 65 14.914 2.007 10.028 1.00 1.41 C ATOM 1020 CE LYS A 65 13.964 1.666 11.177 1.00 0.99 C ATOM 1021 NZ LYS A 65 14.742 1.535 12.442 1.00 0.92 N ATOM 0 H LYS A 65 14.706 0.798 6.611 1.00 0.26 H new ATOM 0 HA LYS A 65 16.682 2.419 8.103 1.00 0.26 H new ATOM 0 HB2 LYS A 65 15.295 -0.154 8.385 1.00 0.34 H new ATOM 0 HB3 LYS A 65 17.021 -0.342 8.628 1.00 0.34 H new ATOM 0 HG2 LYS A 65 15.924 0.245 10.771 1.00 0.54 H new ATOM 0 HG3 LYS A 65 17.008 1.532 10.282 1.00 0.54 H new ATOM 0 HD2 LYS A 65 15.286 3.025 10.140 1.00 1.41 H new ATOM 0 HD3 LYS A 65 14.382 1.965 9.078 1.00 1.41 H new ATOM 0 HE2 LYS A 65 13.208 2.444 11.281 1.00 0.99 H new ATOM 0 HE3 LYS A 65 13.437 0.736 10.964 1.00 0.99 H new ATOM 0 HZ1 LYS A 65 14.179 1.903 13.235 1.00 0.92 H new ATOM 0 HZ2 LYS A 65 14.964 0.533 12.611 1.00 0.92 H new ATOM 0 HZ3 LYS A 65 15.626 2.077 12.364 1.00 0.92 H new ATOM 1035 N ASP A 66 17.446 0.426 5.636 1.00 0.21 N ATOM 1036 CA ASP A 66 18.578 0.015 4.759 1.00 0.22 C ATOM 1037 C ASP A 66 19.021 1.206 3.908 1.00 0.25 C ATOM 1038 O ASP A 66 18.235 2.074 3.581 1.00 0.25 O ATOM 1039 CB ASP A 66 18.129 -1.127 3.844 1.00 0.26 C ATOM 1040 CG ASP A 66 19.346 -1.951 3.421 1.00 0.78 C ATOM 1041 OD1 ASP A 66 19.995 -2.504 4.293 1.00 0.68 O ATOM 1042 OD2 ASP A 66 19.609 -2.014 2.231 1.00 2.03 O ATOM 0 H ASP A 66 16.520 0.155 5.305 1.00 0.21 H new ATOM 0 HA ASP A 66 19.411 -0.322 5.376 1.00 0.22 H new ATOM 0 HB2 ASP A 66 17.410 -1.761 4.362 1.00 0.26 H new ATOM 0 HB3 ASP A 66 17.625 -0.726 2.965 1.00 0.26 H new ATOM 1047 N THR A 67 20.274 1.257 3.545 1.00 0.29 N ATOM 1048 CA THR A 67 20.764 2.393 2.715 1.00 0.33 C ATOM 1049 C THR A 67 20.662 2.024 1.235 1.00 0.38 C ATOM 1050 O THR A 67 21.569 2.264 0.462 1.00 0.40 O ATOM 1051 CB THR A 67 22.223 2.692 3.069 1.00 0.38 C ATOM 1052 OG1 THR A 67 23.040 1.606 2.654 1.00 0.12 O ATOM 1053 CG2 THR A 67 22.355 2.884 4.580 1.00 0.59 C ATOM 0 H THR A 67 20.979 0.561 3.788 1.00 0.29 H new ATOM 0 HA THR A 67 20.155 3.276 2.911 1.00 0.33 H new ATOM 0 HB THR A 67 22.542 3.602 2.561 1.00 0.38 H new ATOM 0 HG1 THR A 67 23.975 1.796 2.878 1.00 0.12 H new ATOM 0 HG21 THR A 67 23.394 3.097 4.830 1.00 0.59 H new ATOM 0 HG22 THR A 67 21.728 3.717 4.897 1.00 0.59 H new ATOM 0 HG23 THR A 67 22.037 1.975 5.091 1.00 0.59 H new ATOM 1061 N ARG A 68 19.564 1.443 0.833 1.00 0.39 N ATOM 1062 CA ARG A 68 19.403 1.058 -0.598 1.00 0.44 C ATOM 1063 C ARG A 68 18.666 2.171 -1.347 1.00 0.45 C ATOM 1064 O ARG A 68 19.192 2.769 -2.264 1.00 0.53 O ATOM 1065 CB ARG A 68 18.595 -0.238 -0.687 1.00 0.45 C ATOM 1066 CG ARG A 68 19.528 -1.437 -0.514 1.00 0.65 C ATOM 1067 CD ARG A 68 20.025 -1.899 -1.885 1.00 1.38 C ATOM 1068 NE ARG A 68 21.215 -2.779 -1.712 1.00 1.33 N ATOM 1069 CZ ARG A 68 21.625 -3.525 -2.701 1.00 1.65 C ATOM 1070 NH1 ARG A 68 20.994 -3.498 -3.843 1.00 2.05 N ATOM 1071 NH2 ARG A 68 22.668 -4.295 -2.549 1.00 1.87 N ATOM 0 H ARG A 68 18.771 1.218 1.434 1.00 0.39 H new ATOM 0 HA ARG A 68 20.385 0.907 -1.047 1.00 0.44 H new ATOM 0 HB2 ARG A 68 17.823 -0.251 0.083 1.00 0.45 H new ATOM 0 HB3 ARG A 68 18.086 -0.296 -1.649 1.00 0.45 H new ATOM 0 HG2 ARG A 68 20.373 -1.165 0.118 1.00 0.65 H new ATOM 0 HG3 ARG A 68 19.003 -2.250 -0.013 1.00 0.65 H new ATOM 0 HD2 ARG A 68 19.234 -2.437 -2.408 1.00 1.38 H new ATOM 0 HD3 ARG A 68 20.283 -1.037 -2.499 1.00 1.38 H new ATOM 0 HE ARG A 68 21.709 -2.798 -0.820 1.00 1.33 H new ATOM 0 HH11 ARG A 68 20.181 -2.894 -3.962 1.00 2.05 H new ATOM 0 HH12 ARG A 68 21.314 -4.081 -4.616 1.00 2.05 H new ATOM 0 HH21 ARG A 68 23.163 -4.314 -1.657 1.00 1.87 H new ATOM 0 HH22 ARG A 68 22.988 -4.878 -3.322 1.00 1.87 H new ATOM 1085 N CYS A 69 17.450 2.450 -0.964 1.00 0.40 N ATOM 1086 CA CYS A 69 16.678 3.522 -1.655 1.00 0.41 C ATOM 1087 C CYS A 69 17.094 4.888 -1.108 1.00 0.38 C ATOM 1088 O CYS A 69 16.434 5.884 -1.330 1.00 0.39 O ATOM 1089 CB CYS A 69 15.182 3.307 -1.412 1.00 0.40 C ATOM 1090 SG CYS A 69 14.823 1.533 -1.405 1.00 0.26 S ATOM 0 H CYS A 69 16.958 1.982 -0.203 1.00 0.40 H new ATOM 0 HA CYS A 69 16.883 3.485 -2.725 1.00 0.41 H new ATOM 0 HB2 CYS A 69 14.889 3.752 -0.461 1.00 0.40 H new ATOM 0 HB3 CYS A 69 14.601 3.804 -2.189 1.00 0.40 H new ATOM 1095 N LEU A 70 18.187 4.947 -0.395 1.00 0.38 N ATOM 1096 CA LEU A 70 18.644 6.253 0.161 1.00 0.35 C ATOM 1097 C LEU A 70 19.607 6.915 -0.825 1.00 0.39 C ATOM 1098 O LEU A 70 19.489 8.084 -1.134 1.00 0.46 O ATOM 1099 CB LEU A 70 19.362 6.019 1.495 1.00 0.31 C ATOM 1100 CG LEU A 70 18.339 5.959 2.638 1.00 0.45 C ATOM 1101 CD1 LEU A 70 19.037 5.506 3.922 1.00 0.35 C ATOM 1102 CD2 LEU A 70 17.713 7.342 2.868 1.00 0.57 C ATOM 0 H LEU A 70 18.782 4.149 -0.174 1.00 0.38 H new ATOM 0 HA LEU A 70 17.782 6.901 0.322 1.00 0.35 H new ATOM 0 HB2 LEU A 70 19.929 5.089 1.454 1.00 0.31 H new ATOM 0 HB3 LEU A 70 20.078 6.821 1.678 1.00 0.31 H new ATOM 0 HG LEU A 70 17.554 5.252 2.370 1.00 0.45 H new ATOM 0 HD11 LEU A 70 18.312 5.463 4.735 1.00 0.35 H new ATOM 0 HD12 LEU A 70 19.472 4.518 3.771 1.00 0.35 H new ATOM 0 HD13 LEU A 70 19.826 6.214 4.177 1.00 0.35 H new ATOM 0 HD21 LEU A 70 16.990 7.283 3.681 1.00 0.57 H new ATOM 0 HD22 LEU A 70 18.494 8.056 3.128 1.00 0.57 H new ATOM 0 HD23 LEU A 70 17.210 7.670 1.958 1.00 0.57 H new ATOM 1114 N GLY A 71 20.562 6.177 -1.323 1.00 0.39 N ATOM 1115 CA GLY A 71 21.533 6.764 -2.288 1.00 0.42 C ATOM 1116 C GLY A 71 22.574 7.588 -1.529 1.00 0.33 C ATOM 1117 O GLY A 71 22.967 7.249 -0.430 1.00 0.15 O ATOM 0 H GLY A 71 20.711 5.192 -1.103 1.00 0.39 H new ATOM 0 HA2 GLY A 71 22.023 5.972 -2.854 1.00 0.42 H new ATOM 0 HA3 GLY A 71 21.010 7.394 -3.008 1.00 0.42 H new ATOM 1121 N ALA A 72 23.026 8.668 -2.106 1.00 0.47 N ATOM 1122 CA ALA A 72 24.042 9.512 -1.416 1.00 0.41 C ATOM 1123 C ALA A 72 23.826 10.979 -1.793 1.00 0.47 C ATOM 1124 O ALA A 72 24.013 11.871 -0.989 1.00 0.56 O ATOM 1125 CB ALA A 72 25.444 9.076 -1.846 1.00 0.40 C ATOM 0 H ALA A 72 22.736 9.002 -3.025 1.00 0.47 H new ATOM 0 HA ALA A 72 23.940 9.395 -0.337 1.00 0.41 H new ATOM 0 HB1 ALA A 72 26.188 9.693 -1.342 1.00 0.40 H new ATOM 0 HB2 ALA A 72 25.598 8.031 -1.578 1.00 0.40 H new ATOM 0 HB3 ALA A 72 25.547 9.193 -2.925 1.00 0.40 H new ATOM 1131 N THR A 73 23.434 11.236 -3.011 1.00 0.51 N ATOM 1132 CA THR A 73 23.206 12.646 -3.439 1.00 0.58 C ATOM 1133 C THR A 73 22.259 13.330 -2.453 1.00 0.54 C ATOM 1134 O THR A 73 21.640 12.692 -1.624 1.00 0.49 O ATOM 1135 CB THR A 73 22.586 12.660 -4.838 1.00 0.68 C ATOM 1136 OG1 THR A 73 23.054 11.537 -5.573 1.00 1.23 O ATOM 1137 CG2 THR A 73 22.984 13.947 -5.562 1.00 1.82 C ATOM 0 H THR A 73 23.262 10.531 -3.728 1.00 0.51 H new ATOM 0 HA THR A 73 24.156 13.179 -3.458 1.00 0.58 H new ATOM 0 HB THR A 73 21.500 12.614 -4.755 1.00 0.68 H new ATOM 0 HG1 THR A 73 22.656 11.544 -6.469 1.00 1.23 H new ATOM 0 HG21 THR A 73 22.542 13.956 -6.558 1.00 1.82 H new ATOM 0 HG22 THR A 73 22.625 14.808 -4.998 1.00 1.82 H new ATOM 0 HG23 THR A 73 24.070 13.996 -5.647 1.00 1.82 H new ATOM 1145 N ALA A 74 22.136 14.627 -2.536 1.00 0.56 N ATOM 1146 CA ALA A 74 21.228 15.351 -1.603 1.00 0.53 C ATOM 1147 C ALA A 74 19.812 15.368 -2.181 1.00 0.51 C ATOM 1148 O ALA A 74 18.847 15.605 -1.480 1.00 0.63 O ATOM 1149 CB ALA A 74 21.721 16.788 -1.421 1.00 0.57 C ATOM 0 H ALA A 74 22.625 15.216 -3.210 1.00 0.56 H new ATOM 0 HA ALA A 74 21.222 14.845 -0.638 1.00 0.53 H new ATOM 0 HB1 ALA A 74 21.056 17.317 -0.738 1.00 0.57 H new ATOM 0 HB2 ALA A 74 22.730 16.777 -1.009 1.00 0.57 H new ATOM 0 HB3 ALA A 74 21.728 17.295 -2.386 1.00 0.57 H new ATOM 1155 N GLN A 75 19.677 15.117 -3.454 1.00 0.36 N ATOM 1156 CA GLN A 75 18.322 15.118 -4.075 1.00 0.33 C ATOM 1157 C GLN A 75 17.677 13.743 -3.895 1.00 0.25 C ATOM 1158 O GLN A 75 16.478 13.623 -3.746 1.00 0.16 O ATOM 1159 CB GLN A 75 18.445 15.434 -5.568 1.00 0.42 C ATOM 1160 CG GLN A 75 19.360 14.405 -6.235 1.00 0.48 C ATOM 1161 CD GLN A 75 19.572 14.787 -7.701 1.00 0.54 C ATOM 1162 OE1 GLN A 75 20.329 14.146 -8.404 1.00 0.71 O ATOM 1163 NE2 GLN A 75 18.933 15.810 -8.196 1.00 1.64 N ATOM 0 H GLN A 75 20.446 14.911 -4.091 1.00 0.36 H new ATOM 0 HA GLN A 75 17.702 15.875 -3.594 1.00 0.33 H new ATOM 0 HB2 GLN A 75 17.461 15.418 -6.036 1.00 0.42 H new ATOM 0 HB3 GLN A 75 18.847 16.438 -5.706 1.00 0.42 H new ATOM 0 HG2 GLN A 75 20.318 14.364 -5.716 1.00 0.48 H new ATOM 0 HG3 GLN A 75 18.918 13.411 -6.167 1.00 0.48 H new ATOM 0 HE21 GLN A 75 18.298 16.348 -7.607 1.00 1.64 H new ATOM 0 HE22 GLN A 75 19.068 16.072 -9.172 1.00 1.64 H new ATOM 1172 N GLN A 76 18.464 12.702 -3.910 1.00 0.31 N ATOM 1173 CA GLN A 76 17.894 11.335 -3.741 1.00 0.30 C ATOM 1174 C GLN A 76 17.523 11.115 -2.273 1.00 0.20 C ATOM 1175 O GLN A 76 16.633 10.354 -1.955 1.00 0.20 O ATOM 1176 CB GLN A 76 18.932 10.293 -4.166 1.00 0.42 C ATOM 1177 CG GLN A 76 18.302 9.324 -5.167 1.00 0.83 C ATOM 1178 CD GLN A 76 17.125 8.602 -4.509 1.00 1.22 C ATOM 1179 OE1 GLN A 76 17.315 7.690 -3.730 1.00 1.92 O ATOM 1180 NE2 GLN A 76 15.906 8.975 -4.791 1.00 2.43 N ATOM 0 H GLN A 76 19.476 12.739 -4.032 1.00 0.31 H new ATOM 0 HA GLN A 76 17.003 11.234 -4.360 1.00 0.30 H new ATOM 0 HB2 GLN A 76 19.795 10.786 -4.614 1.00 0.42 H new ATOM 0 HB3 GLN A 76 19.294 9.748 -3.294 1.00 0.42 H new ATOM 0 HG2 GLN A 76 17.962 9.866 -6.049 1.00 0.83 H new ATOM 0 HG3 GLN A 76 19.044 8.600 -5.504 1.00 0.83 H new ATOM 0 HE21 GLN A 76 15.745 9.741 -5.445 1.00 2.43 H new ATOM 0 HE22 GLN A 76 15.114 8.500 -4.357 1.00 2.43 H new ATOM 1189 N PHE A 77 18.202 11.778 -1.376 1.00 0.19 N ATOM 1190 CA PHE A 77 17.887 11.607 0.072 1.00 0.12 C ATOM 1191 C PHE A 77 16.476 12.128 0.352 1.00 0.07 C ATOM 1192 O PHE A 77 15.717 11.528 1.087 1.00 0.11 O ATOM 1193 CB PHE A 77 18.898 12.393 0.909 1.00 0.21 C ATOM 1194 CG PHE A 77 18.682 12.092 2.373 1.00 0.23 C ATOM 1195 CD1 PHE A 77 19.131 10.881 2.912 1.00 0.20 C ATOM 1196 CD2 PHE A 77 18.032 13.025 3.190 1.00 0.39 C ATOM 1197 CE1 PHE A 77 18.931 10.604 4.270 1.00 0.37 C ATOM 1198 CE2 PHE A 77 17.833 12.747 4.548 1.00 0.50 C ATOM 1199 CZ PHE A 77 18.282 11.537 5.087 1.00 0.49 C ATOM 0 H PHE A 77 18.959 12.429 -1.582 1.00 0.19 H new ATOM 0 HA PHE A 77 17.942 10.550 0.334 1.00 0.12 H new ATOM 0 HB2 PHE A 77 19.914 12.125 0.618 1.00 0.21 H new ATOM 0 HB3 PHE A 77 18.785 13.462 0.726 1.00 0.21 H new ATOM 0 HD1 PHE A 77 19.631 10.161 2.281 1.00 0.20 H new ATOM 0 HD2 PHE A 77 17.684 13.959 2.773 1.00 0.39 H new ATOM 0 HE1 PHE A 77 19.278 9.670 4.687 1.00 0.37 H new ATOM 0 HE2 PHE A 77 17.333 13.467 5.179 1.00 0.50 H new ATOM 0 HZ PHE A 77 18.128 11.322 6.134 1.00 0.49 H new ATOM 1209 N HIS A 78 16.119 13.242 -0.227 1.00 0.11 N ATOM 1210 CA HIS A 78 14.758 13.800 0.007 1.00 0.19 C ATOM 1211 C HIS A 78 13.736 13.013 -0.815 1.00 0.21 C ATOM 1212 O HIS A 78 12.730 12.561 -0.306 1.00 0.26 O ATOM 1213 CB HIS A 78 14.730 15.270 -0.415 1.00 0.21 C ATOM 1214 CG HIS A 78 13.977 16.073 0.610 1.00 0.38 C ATOM 1215 ND1 HIS A 78 14.372 17.347 0.986 1.00 1.01 N ATOM 1216 CD2 HIS A 78 12.853 15.796 1.346 1.00 0.43 C ATOM 1217 CE1 HIS A 78 13.499 17.786 1.911 1.00 1.40 C ATOM 1218 NE2 HIS A 78 12.552 16.879 2.167 1.00 1.07 N ATOM 0 H HIS A 78 16.711 13.789 -0.852 1.00 0.11 H new ATOM 0 HA HIS A 78 14.510 13.722 1.066 1.00 0.19 H new ATOM 0 HB2 HIS A 78 15.747 15.650 -0.515 1.00 0.21 H new ATOM 0 HB3 HIS A 78 14.255 15.370 -1.391 1.00 0.21 H new ATOM 0 HD2 HIS A 78 12.288 14.877 1.296 1.00 0.43 H new ATOM 0 HE1 HIS A 78 13.557 18.753 2.388 1.00 1.40 H new ATOM 0 HE2 HIS A 78 11.775 16.962 2.823 1.00 1.07 H new ATOM 1226 N ARG A 79 13.985 12.846 -2.086 1.00 0.19 N ATOM 1227 CA ARG A 79 13.028 12.087 -2.939 1.00 0.26 C ATOM 1228 C ARG A 79 12.662 10.772 -2.249 1.00 0.22 C ATOM 1229 O ARG A 79 11.561 10.274 -2.382 1.00 0.18 O ATOM 1230 CB ARG A 79 13.675 11.790 -4.293 1.00 0.30 C ATOM 1231 CG ARG A 79 12.822 12.392 -5.411 1.00 0.50 C ATOM 1232 CD ARG A 79 13.436 12.029 -6.767 1.00 0.67 C ATOM 1233 NE ARG A 79 13.538 13.245 -7.638 1.00 1.10 N ATOM 1234 CZ ARG A 79 12.530 14.067 -7.779 1.00 1.78 C ATOM 1235 NH1 ARG A 79 11.380 13.805 -7.220 1.00 3.21 N ATOM 1236 NH2 ARG A 79 12.667 15.146 -8.502 1.00 2.10 N ATOM 0 H ARG A 79 14.809 13.202 -2.569 1.00 0.19 H new ATOM 0 HA ARG A 79 12.127 12.681 -3.090 1.00 0.26 H new ATOM 0 HB2 ARG A 79 14.682 12.206 -4.326 1.00 0.30 H new ATOM 0 HB3 ARG A 79 13.770 10.713 -4.434 1.00 0.30 H new ATOM 0 HG2 ARG A 79 11.801 12.015 -5.348 1.00 0.50 H new ATOM 0 HG3 ARG A 79 12.769 13.475 -5.301 1.00 0.50 H new ATOM 0 HD2 ARG A 79 14.425 11.595 -6.621 1.00 0.67 H new ATOM 0 HD3 ARG A 79 12.825 11.272 -7.259 1.00 0.67 H new ATOM 0 HE ARG A 79 14.411 13.435 -8.131 1.00 1.10 H new ATOM 0 HH11 ARG A 79 11.263 12.955 -6.669 1.00 3.21 H new ATOM 0 HH12 ARG A 79 10.599 14.451 -7.334 1.00 3.21 H new ATOM 0 HH21 ARG A 79 13.558 15.346 -8.955 1.00 2.10 H new ATOM 0 HH22 ARG A 79 11.882 15.788 -8.613 1.00 2.10 H new ATOM 1250 N HIS A 80 13.576 10.204 -1.511 1.00 0.23 N ATOM 1251 CA HIS A 80 13.280 8.921 -0.813 1.00 0.21 C ATOM 1252 C HIS A 80 12.403 9.197 0.411 1.00 0.19 C ATOM 1253 O HIS A 80 11.345 8.622 0.570 1.00 0.21 O ATOM 1254 CB HIS A 80 14.591 8.270 -0.365 1.00 0.20 C ATOM 1255 CG HIS A 80 14.300 7.222 0.673 1.00 0.10 C ATOM 1256 ND1 HIS A 80 14.164 5.880 0.351 1.00 0.24 N ATOM 1257 CD2 HIS A 80 14.118 7.301 2.031 1.00 0.29 C ATOM 1258 CE1 HIS A 80 13.911 5.213 1.492 1.00 0.22 C ATOM 1259 NE2 HIS A 80 13.873 6.032 2.546 1.00 0.29 N ATOM 0 H HIS A 80 14.515 10.573 -1.361 1.00 0.23 H new ATOM 0 HA HIS A 80 12.755 8.250 -1.493 1.00 0.21 H new ATOM 0 HB2 HIS A 80 15.097 7.820 -1.219 1.00 0.20 H new ATOM 0 HB3 HIS A 80 15.264 9.025 0.043 1.00 0.20 H new ATOM 0 HD2 HIS A 80 14.159 8.211 2.612 1.00 0.29 H new ATOM 0 HE1 HIS A 80 13.757 4.145 1.548 1.00 0.22 H new ATOM 0 HE2 HIS A 80 13.701 5.781 3.520 1.00 0.29 H new ATOM 1267 N LYS A 81 12.836 10.072 1.278 1.00 0.19 N ATOM 1268 CA LYS A 81 12.027 10.382 2.490 1.00 0.18 C ATOM 1269 C LYS A 81 10.580 10.659 2.078 1.00 0.20 C ATOM 1270 O LYS A 81 9.647 10.180 2.692 1.00 0.17 O ATOM 1271 CB LYS A 81 12.604 11.616 3.186 1.00 0.19 C ATOM 1272 CG LYS A 81 13.969 11.272 3.786 1.00 0.21 C ATOM 1273 CD LYS A 81 13.787 10.795 5.229 1.00 0.82 C ATOM 1274 CE LYS A 81 15.143 10.383 5.806 1.00 1.04 C ATOM 1275 NZ LYS A 81 15.499 11.290 6.934 1.00 0.81 N ATOM 0 H LYS A 81 13.714 10.585 1.199 1.00 0.19 H new ATOM 0 HA LYS A 81 12.055 9.533 3.173 1.00 0.18 H new ATOM 0 HB2 LYS A 81 12.704 12.435 2.474 1.00 0.19 H new ATOM 0 HB3 LYS A 81 11.926 11.955 3.969 1.00 0.19 H new ATOM 0 HG2 LYS A 81 14.453 10.496 3.194 1.00 0.21 H new ATOM 0 HG3 LYS A 81 14.620 12.146 3.760 1.00 0.21 H new ATOM 0 HD2 LYS A 81 13.349 11.590 5.833 1.00 0.82 H new ATOM 0 HD3 LYS A 81 13.096 9.953 5.260 1.00 0.82 H new ATOM 0 HE2 LYS A 81 15.104 9.351 6.154 1.00 1.04 H new ATOM 0 HE3 LYS A 81 15.909 10.430 5.032 1.00 1.04 H new ATOM 0 HZ1 LYS A 81 16.421 11.010 7.327 1.00 0.81 H new ATOM 0 HZ2 LYS A 81 15.553 12.269 6.588 1.00 0.81 H new ATOM 0 HZ3 LYS A 81 14.773 11.224 7.675 1.00 0.81 H new ATOM 1289 N GLN A 82 10.385 11.429 1.042 1.00 0.26 N ATOM 1290 CA GLN A 82 8.998 11.736 0.593 1.00 0.29 C ATOM 1291 C GLN A 82 8.233 10.430 0.367 1.00 0.23 C ATOM 1292 O GLN A 82 7.121 10.264 0.827 1.00 0.16 O ATOM 1293 CB GLN A 82 9.051 12.528 -0.716 1.00 0.35 C ATOM 1294 CG GLN A 82 8.053 13.687 -0.651 1.00 0.32 C ATOM 1295 CD GLN A 82 7.984 14.377 -2.015 1.00 0.70 C ATOM 1296 OE1 GLN A 82 8.562 13.909 -2.975 1.00 1.71 O ATOM 1297 NE2 GLN A 82 7.296 15.479 -2.141 1.00 0.83 N ATOM 0 H GLN A 82 11.126 11.858 0.488 1.00 0.26 H new ATOM 0 HA GLN A 82 8.491 12.326 1.356 1.00 0.29 H new ATOM 0 HB2 GLN A 82 10.058 12.910 -0.882 1.00 0.35 H new ATOM 0 HB3 GLN A 82 8.814 11.877 -1.557 1.00 0.35 H new ATOM 0 HG2 GLN A 82 7.067 13.317 -0.368 1.00 0.32 H new ATOM 0 HG3 GLN A 82 8.357 14.401 0.115 1.00 0.32 H new ATOM 0 HE21 GLN A 82 6.810 15.872 -1.335 1.00 0.83 H new ATOM 0 HE22 GLN A 82 7.244 15.947 -3.046 1.00 0.83 H new ATOM 1306 N LEU A 83 8.821 9.501 -0.337 1.00 0.28 N ATOM 1307 CA LEU A 83 8.126 8.208 -0.591 1.00 0.25 C ATOM 1308 C LEU A 83 7.718 7.581 0.744 1.00 0.21 C ATOM 1309 O LEU A 83 6.554 7.344 1.000 1.00 0.16 O ATOM 1310 CB LEU A 83 9.071 7.260 -1.334 1.00 0.29 C ATOM 1311 CG LEU A 83 8.255 6.240 -2.133 1.00 0.29 C ATOM 1312 CD1 LEU A 83 9.202 5.313 -2.895 1.00 0.35 C ATOM 1313 CD2 LEU A 83 7.394 5.412 -1.177 1.00 0.24 C ATOM 0 H LEU A 83 9.752 9.582 -0.747 1.00 0.28 H new ATOM 0 HA LEU A 83 7.237 8.383 -1.197 1.00 0.25 H new ATOM 0 HB2 LEU A 83 9.718 7.827 -2.003 1.00 0.29 H new ATOM 0 HB3 LEU A 83 9.719 6.746 -0.624 1.00 0.29 H new ATOM 0 HG LEU A 83 7.612 6.765 -2.840 1.00 0.29 H new ATOM 0 HD11 LEU A 83 8.621 4.587 -3.464 1.00 0.35 H new ATOM 0 HD12 LEU A 83 9.816 5.901 -3.577 1.00 0.35 H new ATOM 0 HD13 LEU A 83 9.845 4.789 -2.188 1.00 0.35 H new ATOM 0 HD21 LEU A 83 6.813 4.686 -1.746 1.00 0.24 H new ATOM 0 HD22 LEU A 83 8.037 4.888 -0.470 1.00 0.24 H new ATOM 0 HD23 LEU A 83 6.718 6.071 -0.633 1.00 0.24 H new ATOM 1325 N ILE A 84 8.668 7.308 1.597 1.00 0.24 N ATOM 1326 CA ILE A 84 8.334 6.697 2.915 1.00 0.21 C ATOM 1327 C ILE A 84 7.189 7.479 3.563 1.00 0.16 C ATOM 1328 O ILE A 84 6.260 6.908 4.097 1.00 0.18 O ATOM 1329 CB ILE A 84 9.562 6.741 3.827 1.00 0.27 C ATOM 1330 CG1 ILE A 84 10.802 6.307 3.039 1.00 0.34 C ATOM 1331 CG2 ILE A 84 9.354 5.793 5.008 1.00 0.26 C ATOM 1332 CD1 ILE A 84 10.503 5.013 2.282 1.00 0.35 C ATOM 0 H ILE A 84 9.660 7.482 1.438 1.00 0.24 H new ATOM 0 HA ILE A 84 8.030 5.661 2.767 1.00 0.21 H new ATOM 0 HB ILE A 84 9.703 7.757 4.195 1.00 0.27 H new ATOM 0 HG12 ILE A 84 11.093 7.090 2.339 1.00 0.34 H new ATOM 0 HG13 ILE A 84 11.642 6.157 3.717 1.00 0.34 H new ATOM 0 HG21 ILE A 84 10.229 5.824 5.658 1.00 0.26 H new ATOM 0 HG22 ILE A 84 8.473 6.101 5.571 1.00 0.26 H new ATOM 0 HG23 ILE A 84 9.212 4.777 4.639 1.00 0.26 H new ATOM 0 HD11 ILE A 84 11.387 4.706 1.722 1.00 0.35 H new ATOM 0 HD12 ILE A 84 10.233 4.231 2.991 1.00 0.35 H new ATOM 0 HD13 ILE A 84 9.676 5.178 1.592 1.00 0.35 H new ATOM 1344 N ARG A 85 7.249 8.781 3.521 1.00 0.17 N ATOM 1345 CA ARG A 85 6.165 9.596 4.135 1.00 0.22 C ATOM 1346 C ARG A 85 4.830 9.249 3.474 1.00 0.26 C ATOM 1347 O ARG A 85 3.830 9.049 4.136 1.00 0.31 O ATOM 1348 CB ARG A 85 6.463 11.083 3.929 1.00 0.30 C ATOM 1349 CG ARG A 85 7.313 11.600 5.092 1.00 1.10 C ATOM 1350 CD ARG A 85 6.399 12.057 6.230 1.00 0.90 C ATOM 1351 NE ARG A 85 7.159 12.055 7.510 1.00 1.83 N ATOM 1352 CZ ARG A 85 6.685 12.682 8.552 1.00 2.24 C ATOM 1353 NH1 ARG A 85 5.545 13.311 8.471 1.00 2.49 N ATOM 1354 NH2 ARG A 85 7.352 12.681 9.674 1.00 3.00 N ATOM 0 H ARG A 85 8.002 9.316 3.088 1.00 0.17 H new ATOM 0 HA ARG A 85 6.110 9.381 5.202 1.00 0.22 H new ATOM 0 HB2 ARG A 85 6.989 11.232 2.986 1.00 0.30 H new ATOM 0 HB3 ARG A 85 5.532 11.646 3.867 1.00 0.30 H new ATOM 0 HG2 ARG A 85 7.983 10.815 5.443 1.00 1.10 H new ATOM 0 HG3 ARG A 85 7.938 12.428 4.759 1.00 1.10 H new ATOM 0 HD2 ARG A 85 6.016 13.057 6.024 1.00 0.90 H new ATOM 0 HD3 ARG A 85 5.537 11.395 6.306 1.00 0.90 H new ATOM 0 HE ARG A 85 8.051 11.563 7.573 1.00 1.83 H new ATOM 0 HH11 ARG A 85 5.025 13.313 7.594 1.00 2.49 H new ATOM 0 HH12 ARG A 85 5.174 13.801 9.285 1.00 2.49 H new ATOM 0 HH21 ARG A 85 8.244 12.190 9.737 1.00 3.00 H new ATOM 0 HH22 ARG A 85 6.981 13.171 10.488 1.00 3.00 H new ATOM 1368 N PHE A 86 4.805 9.175 2.171 1.00 0.26 N ATOM 1369 CA PHE A 86 3.535 8.839 1.468 1.00 0.33 C ATOM 1370 C PHE A 86 3.051 7.459 1.918 1.00 0.33 C ATOM 1371 O PHE A 86 1.888 7.264 2.214 1.00 0.39 O ATOM 1372 CB PHE A 86 3.775 8.827 -0.043 1.00 0.38 C ATOM 1373 CG PHE A 86 3.422 10.177 -0.621 1.00 0.37 C ATOM 1374 CD1 PHE A 86 2.082 10.517 -0.833 1.00 0.33 C ATOM 1375 CD2 PHE A 86 4.435 11.087 -0.942 1.00 0.42 C ATOM 1376 CE1 PHE A 86 1.753 11.768 -1.369 1.00 0.34 C ATOM 1377 CE2 PHE A 86 4.107 12.339 -1.478 1.00 0.43 C ATOM 1378 CZ PHE A 86 2.767 12.679 -1.692 1.00 0.40 C ATOM 0 H PHE A 86 5.609 9.333 1.563 1.00 0.26 H new ATOM 0 HA PHE A 86 2.779 9.586 1.710 1.00 0.33 H new ATOM 0 HB2 PHE A 86 4.818 8.591 -0.254 1.00 0.38 H new ATOM 0 HB3 PHE A 86 3.171 8.050 -0.512 1.00 0.38 H new ATOM 0 HD1 PHE A 86 1.301 9.814 -0.583 1.00 0.33 H new ATOM 0 HD2 PHE A 86 5.469 10.824 -0.777 1.00 0.42 H new ATOM 0 HE1 PHE A 86 0.718 12.030 -1.533 1.00 0.34 H new ATOM 0 HE2 PHE A 86 4.889 13.042 -1.726 1.00 0.43 H new ATOM 0 HZ PHE A 86 2.514 13.644 -2.106 1.00 0.40 H new ATOM 1388 N LEU A 87 3.933 6.498 1.971 1.00 0.29 N ATOM 1389 CA LEU A 87 3.520 5.133 2.402 1.00 0.32 C ATOM 1390 C LEU A 87 3.020 5.184 3.846 1.00 0.30 C ATOM 1391 O LEU A 87 1.965 4.675 4.167 1.00 0.35 O ATOM 1392 CB LEU A 87 4.720 4.183 2.309 1.00 0.29 C ATOM 1393 CG LEU A 87 4.882 3.687 0.868 1.00 0.42 C ATOM 1394 CD1 LEU A 87 6.211 2.940 0.736 1.00 0.35 C ATOM 1395 CD2 LEU A 87 3.733 2.740 0.495 1.00 0.60 C ATOM 0 H LEU A 87 4.920 6.599 1.735 1.00 0.29 H new ATOM 0 HA LEU A 87 2.721 4.773 1.754 1.00 0.32 H new ATOM 0 HB2 LEU A 87 5.627 4.696 2.630 1.00 0.29 H new ATOM 0 HB3 LEU A 87 4.578 3.336 2.980 1.00 0.29 H new ATOM 0 HG LEU A 87 4.866 4.546 0.197 1.00 0.42 H new ATOM 0 HD11 LEU A 87 6.329 2.586 -0.288 1.00 0.35 H new ATOM 0 HD12 LEU A 87 7.032 3.612 0.985 1.00 0.35 H new ATOM 0 HD13 LEU A 87 6.219 2.089 1.417 1.00 0.35 H new ATOM 0 HD21 LEU A 87 3.863 2.397 -0.531 1.00 0.60 H new ATOM 0 HD22 LEU A 87 3.736 1.882 1.168 1.00 0.60 H new ATOM 0 HD23 LEU A 87 2.783 3.268 0.584 1.00 0.60 H new ATOM 1407 N LYS A 88 3.771 5.793 4.723 1.00 0.23 N ATOM 1408 CA LYS A 88 3.338 5.876 6.147 1.00 0.22 C ATOM 1409 C LYS A 88 1.964 6.542 6.225 1.00 0.23 C ATOM 1410 O LYS A 88 1.230 6.365 7.178 1.00 0.23 O ATOM 1411 CB LYS A 88 4.352 6.702 6.940 1.00 0.17 C ATOM 1412 CG LYS A 88 5.112 5.790 7.904 1.00 0.16 C ATOM 1413 CD LYS A 88 6.238 6.581 8.575 1.00 0.22 C ATOM 1414 CE LYS A 88 6.226 6.309 10.080 1.00 0.80 C ATOM 1415 NZ LYS A 88 5.047 6.981 10.696 1.00 2.27 N ATOM 0 H LYS A 88 4.666 6.237 4.515 1.00 0.23 H new ATOM 0 HA LYS A 88 3.278 4.872 6.568 1.00 0.22 H new ATOM 0 HB2 LYS A 88 5.049 7.191 6.260 1.00 0.17 H new ATOM 0 HB3 LYS A 88 3.841 7.489 7.494 1.00 0.17 H new ATOM 0 HG2 LYS A 88 4.432 5.393 8.658 1.00 0.16 H new ATOM 0 HG3 LYS A 88 5.524 4.936 7.366 1.00 0.16 H new ATOM 0 HD2 LYS A 88 7.200 6.295 8.151 1.00 0.22 H new ATOM 0 HD3 LYS A 88 6.110 7.647 8.386 1.00 0.22 H new ATOM 0 HE2 LYS A 88 6.185 5.236 10.266 1.00 0.80 H new ATOM 0 HE3 LYS A 88 7.146 6.676 10.534 1.00 0.80 H new ATOM 0 HZ1 LYS A 88 5.220 7.123 11.712 1.00 2.27 H new ATOM 0 HZ2 LYS A 88 4.894 7.902 10.238 1.00 2.27 H new ATOM 0 HZ3 LYS A 88 4.203 6.387 10.569 1.00 2.27 H new ATOM 1429 N ARG A 89 1.608 7.310 5.232 1.00 0.29 N ATOM 1430 CA ARG A 89 0.281 7.988 5.251 1.00 0.32 C ATOM 1431 C ARG A 89 -0.816 6.977 4.908 1.00 0.32 C ATOM 1432 O ARG A 89 -1.604 6.592 5.749 1.00 0.37 O ATOM 1433 CB ARG A 89 0.271 9.120 4.223 1.00 0.31 C ATOM 1434 CG ARG A 89 -1.013 9.937 4.372 1.00 0.33 C ATOM 1435 CD ARG A 89 -0.666 11.353 4.837 1.00 1.01 C ATOM 1436 NE ARG A 89 -1.912 12.165 4.929 1.00 1.07 N ATOM 1437 CZ ARG A 89 -1.907 13.297 5.579 1.00 1.79 C ATOM 1438 NH1 ARG A 89 -0.811 13.718 6.147 1.00 2.67 N ATOM 1439 NH2 ARG A 89 -2.998 14.008 5.659 1.00 2.27 N ATOM 0 H ARG A 89 2.179 7.497 4.408 1.00 0.29 H new ATOM 0 HA ARG A 89 0.098 8.398 6.244 1.00 0.32 H new ATOM 0 HB2 ARG A 89 1.141 9.761 4.365 1.00 0.31 H new ATOM 0 HB3 ARG A 89 0.338 8.710 3.215 1.00 0.31 H new ATOM 0 HG2 ARG A 89 -1.545 9.975 3.421 1.00 0.33 H new ATOM 0 HG3 ARG A 89 -1.679 9.460 5.091 1.00 0.33 H new ATOM 0 HD2 ARG A 89 -0.170 11.317 5.807 1.00 1.01 H new ATOM 0 HD3 ARG A 89 0.032 11.816 4.139 1.00 1.01 H new ATOM 0 HE ARG A 89 -2.769 11.836 4.484 1.00 1.07 H new ATOM 0 HH11 ARG A 89 0.042 13.163 6.083 1.00 2.67 H new ATOM 0 HH12 ARG A 89 -0.807 14.603 6.655 1.00 2.67 H new ATOM 0 HH21 ARG A 89 -3.855 13.679 5.214 1.00 2.27 H new ATOM 0 HH22 ARG A 89 -2.994 14.893 6.167 1.00 2.27 H new ATOM 1453 N LEU A 90 -0.874 6.545 3.678 1.00 0.26 N ATOM 1454 CA LEU A 90 -1.921 5.562 3.282 1.00 0.27 C ATOM 1455 C LEU A 90 -1.790 4.302 4.142 1.00 0.28 C ATOM 1456 O LEU A 90 -2.697 3.499 4.224 1.00 0.22 O ATOM 1457 CB LEU A 90 -1.746 5.195 1.807 1.00 0.26 C ATOM 1458 CG LEU A 90 -0.407 4.480 1.612 1.00 0.19 C ATOM 1459 CD1 LEU A 90 -0.650 2.984 1.413 1.00 0.33 C ATOM 1460 CD2 LEU A 90 0.297 5.050 0.378 1.00 0.13 C ATOM 0 H LEU A 90 -0.242 6.830 2.930 1.00 0.26 H new ATOM 0 HA LEU A 90 -2.907 6.002 3.431 1.00 0.27 H new ATOM 0 HB2 LEU A 90 -2.564 4.552 1.482 1.00 0.26 H new ATOM 0 HB3 LEU A 90 -1.783 6.094 1.191 1.00 0.26 H new ATOM 0 HG LEU A 90 0.218 4.631 2.492 1.00 0.19 H new ATOM 0 HD11 LEU A 90 0.304 2.476 1.274 1.00 0.33 H new ATOM 0 HD12 LEU A 90 -1.154 2.577 2.290 1.00 0.33 H new ATOM 0 HD13 LEU A 90 -1.274 2.831 0.533 1.00 0.33 H new ATOM 0 HD21 LEU A 90 1.251 4.543 0.237 1.00 0.13 H new ATOM 0 HD22 LEU A 90 -0.329 4.897 -0.501 1.00 0.13 H new ATOM 0 HD23 LEU A 90 0.471 6.117 0.519 1.00 0.13 H new ATOM 1472 N ASP A 91 -0.667 4.123 4.782 1.00 0.36 N ATOM 1473 CA ASP A 91 -0.481 2.916 5.635 1.00 0.37 C ATOM 1474 C ASP A 91 -1.487 2.944 6.788 1.00 0.37 C ATOM 1475 O ASP A 91 -2.069 1.939 7.141 1.00 0.37 O ATOM 1476 CB ASP A 91 0.941 2.904 6.200 1.00 0.41 C ATOM 1477 CG ASP A 91 1.052 1.827 7.280 1.00 0.40 C ATOM 1478 OD1 ASP A 91 1.335 0.692 6.931 1.00 0.71 O ATOM 1479 OD2 ASP A 91 0.854 2.153 8.439 1.00 1.42 O ATOM 0 H ASP A 91 0.129 4.760 4.751 1.00 0.36 H new ATOM 0 HA ASP A 91 -0.642 2.020 5.035 1.00 0.37 H new ATOM 0 HB2 ASP A 91 1.659 2.710 5.403 1.00 0.41 H new ATOM 0 HB3 ASP A 91 1.186 3.880 6.619 1.00 0.41 H new ATOM 1484 N ARG A 92 -1.696 4.090 7.376 1.00 0.37 N ATOM 1485 CA ARG A 92 -2.664 4.182 8.505 1.00 0.37 C ATOM 1486 C ARG A 92 -4.081 4.343 7.950 1.00 0.41 C ATOM 1487 O ARG A 92 -5.046 3.909 8.549 1.00 0.45 O ATOM 1488 CB ARG A 92 -2.318 5.389 9.378 1.00 0.35 C ATOM 1489 CG ARG A 92 -1.067 5.081 10.203 1.00 0.34 C ATOM 1490 CD ARG A 92 -1.467 4.802 11.653 1.00 0.88 C ATOM 1491 NE ARG A 92 -0.283 4.304 12.408 1.00 0.94 N ATOM 1492 CZ ARG A 92 -0.303 4.284 13.713 1.00 1.25 C ATOM 1493 NH1 ARG A 92 -1.360 4.698 14.357 1.00 1.65 N ATOM 1494 NH2 ARG A 92 0.734 3.847 14.374 1.00 1.92 N ATOM 0 H ARG A 92 -1.239 4.966 7.124 1.00 0.37 H new ATOM 0 HA ARG A 92 -2.609 3.273 9.105 1.00 0.37 H new ATOM 0 HB2 ARG A 92 -2.148 6.266 8.753 1.00 0.35 H new ATOM 0 HB3 ARG A 92 -3.153 5.625 10.038 1.00 0.35 H new ATOM 0 HG2 ARG A 92 -0.547 4.219 9.786 1.00 0.34 H new ATOM 0 HG3 ARG A 92 -0.375 5.922 10.161 1.00 0.34 H new ATOM 0 HD2 ARG A 92 -1.851 5.710 12.117 1.00 0.88 H new ATOM 0 HD3 ARG A 92 -2.269 4.064 11.685 1.00 0.88 H new ATOM 0 HE ARG A 92 0.543 3.979 11.905 1.00 0.94 H new ATOM 0 HH11 ARG A 92 -2.171 5.038 13.841 1.00 1.65 H new ATOM 0 HH12 ARG A 92 -1.375 4.682 15.377 1.00 1.65 H new ATOM 0 HH21 ARG A 92 1.559 3.521 13.871 1.00 1.92 H new ATOM 0 HH22 ARG A 92 0.719 3.831 15.394 1.00 1.92 H new ATOM 1508 N ASN A 93 -4.214 4.962 6.810 1.00 0.41 N ATOM 1509 CA ASN A 93 -5.569 5.150 6.218 1.00 0.46 C ATOM 1510 C ASN A 93 -6.208 3.784 5.965 1.00 0.48 C ATOM 1511 O ASN A 93 -7.388 3.590 6.184 1.00 0.58 O ATOM 1512 CB ASN A 93 -5.447 5.910 4.896 1.00 0.49 C ATOM 1513 CG ASN A 93 -4.560 7.140 5.092 1.00 0.46 C ATOM 1514 OD1 ASN A 93 -4.227 7.822 4.144 1.00 0.93 O ATOM 1515 ND2 ASN A 93 -4.158 7.454 6.293 1.00 1.13 N ATOM 0 H ASN A 93 -3.444 5.346 6.263 1.00 0.41 H new ATOM 0 HA ASN A 93 -6.192 5.720 6.908 1.00 0.46 H new ATOM 0 HB2 ASN A 93 -5.023 5.261 4.130 1.00 0.49 H new ATOM 0 HB3 ASN A 93 -6.434 6.213 4.546 1.00 0.49 H new ATOM 0 HD21 ASN A 93 -3.565 8.272 6.435 1.00 1.13 H new ATOM 0 HD22 ASN A 93 -4.437 6.882 7.090 1.00 1.13 H new ATOM 1522 N LEU A 94 -5.441 2.834 5.505 1.00 0.45 N ATOM 1523 CA LEU A 94 -6.007 1.481 5.238 1.00 0.45 C ATOM 1524 C LEU A 94 -6.314 0.789 6.568 1.00 0.43 C ATOM 1525 O LEU A 94 -7.456 0.563 6.912 1.00 0.56 O ATOM 1526 CB LEU A 94 -4.989 0.646 4.454 1.00 0.44 C ATOM 1527 CG LEU A 94 -4.647 1.344 3.131 1.00 0.45 C ATOM 1528 CD1 LEU A 94 -3.308 0.817 2.615 1.00 0.68 C ATOM 1529 CD2 LEU A 94 -5.732 1.060 2.083 1.00 0.19 C ATOM 0 H LEU A 94 -4.447 2.936 5.302 1.00 0.45 H new ATOM 0 HA LEU A 94 -6.923 1.578 4.655 1.00 0.45 H new ATOM 0 HB2 LEU A 94 -4.085 0.509 5.047 1.00 0.44 H new ATOM 0 HB3 LEU A 94 -5.395 -0.346 4.257 1.00 0.44 H new ATOM 0 HG LEU A 94 -4.588 2.419 3.304 1.00 0.45 H new ATOM 0 HD11 LEU A 94 -3.061 1.310 1.675 1.00 0.68 H new ATOM 0 HD12 LEU A 94 -2.529 1.023 3.349 1.00 0.68 H new ATOM 0 HD13 LEU A 94 -3.378 -0.259 2.453 1.00 0.68 H new ATOM 0 HD21 LEU A 94 -5.476 1.561 1.150 1.00 0.19 H new ATOM 0 HD22 LEU A 94 -5.800 -0.014 1.911 1.00 0.19 H new ATOM 0 HD23 LEU A 94 -6.692 1.431 2.443 1.00 0.19 H new ATOM 1541 N TRP A 95 -5.301 0.451 7.319 1.00 0.25 N ATOM 1542 CA TRP A 95 -5.537 -0.226 8.625 1.00 0.22 C ATOM 1543 C TRP A 95 -6.571 0.563 9.430 1.00 0.21 C ATOM 1544 O TRP A 95 -7.088 0.093 10.425 1.00 0.17 O ATOM 1545 CB TRP A 95 -4.224 -0.293 9.409 1.00 0.20 C ATOM 1546 CG TRP A 95 -4.476 -0.907 10.749 1.00 0.13 C ATOM 1547 CD1 TRP A 95 -4.899 -0.233 11.844 1.00 0.12 C ATOM 1548 CD2 TRP A 95 -4.327 -2.298 11.156 1.00 0.19 C ATOM 1549 NE1 TRP A 95 -5.021 -1.123 12.895 1.00 0.06 N ATOM 1550 CE2 TRP A 95 -4.680 -2.407 12.522 1.00 0.11 C ATOM 1551 CE3 TRP A 95 -3.925 -3.464 10.479 1.00 0.35 C ATOM 1552 CZ2 TRP A 95 -4.635 -3.631 13.192 1.00 0.21 C ATOM 1553 CZ3 TRP A 95 -3.879 -4.696 11.152 1.00 0.43 C ATOM 1554 CH2 TRP A 95 -4.234 -4.778 12.506 1.00 0.37 C ATOM 0 H TRP A 95 -4.322 0.614 7.085 1.00 0.25 H new ATOM 0 HA TRP A 95 -5.908 -1.236 8.449 1.00 0.22 H new ATOM 0 HB2 TRP A 95 -3.489 -0.882 8.860 1.00 0.20 H new ATOM 0 HB3 TRP A 95 -3.807 0.707 9.528 1.00 0.20 H new ATOM 0 HD1 TRP A 95 -5.107 0.826 11.889 1.00 0.12 H new ATOM 0 HE1 TRP A 95 -5.326 -0.862 13.833 1.00 0.06 H new ATOM 0 HE3 TRP A 95 -3.650 -3.411 9.436 1.00 0.35 H new ATOM 0 HZ2 TRP A 95 -4.909 -3.690 14.235 1.00 0.21 H new ATOM 0 HZ3 TRP A 95 -3.568 -5.585 10.624 1.00 0.43 H new ATOM 0 HH2 TRP A 95 -4.197 -5.728 13.018 1.00 0.37 H new ATOM 1565 N GLY A 96 -6.877 1.759 9.009 1.00 0.26 N ATOM 1566 CA GLY A 96 -7.879 2.576 9.750 1.00 0.26 C ATOM 1567 C GLY A 96 -9.288 2.082 9.418 1.00 0.27 C ATOM 1568 O GLY A 96 -9.953 1.477 10.235 1.00 0.14 O ATOM 0 H GLY A 96 -6.477 2.206 8.184 1.00 0.26 H new ATOM 0 HA2 GLY A 96 -7.701 2.504 10.823 1.00 0.26 H new ATOM 0 HA3 GLY A 96 -7.778 3.627 9.480 1.00 0.26 H new ATOM 1572 N LEU A 97 -9.749 2.335 8.223 1.00 0.45 N ATOM 1573 CA LEU A 97 -11.115 1.879 7.842 1.00 0.50 C ATOM 1574 C LEU A 97 -11.196 0.356 7.955 1.00 0.49 C ATOM 1575 O LEU A 97 -12.230 -0.240 7.721 1.00 0.55 O ATOM 1576 CB LEU A 97 -11.426 2.311 6.400 1.00 0.65 C ATOM 1577 CG LEU A 97 -10.273 1.922 5.457 1.00 0.76 C ATOM 1578 CD1 LEU A 97 -10.219 0.401 5.258 1.00 0.75 C ATOM 1579 CD2 LEU A 97 -10.488 2.597 4.100 1.00 0.92 C ATOM 0 H LEU A 97 -9.239 2.837 7.496 1.00 0.45 H new ATOM 0 HA LEU A 97 -11.845 2.330 8.514 1.00 0.50 H new ATOM 0 HB2 LEU A 97 -12.351 1.841 6.065 1.00 0.65 H new ATOM 0 HB3 LEU A 97 -11.585 3.389 6.364 1.00 0.65 H new ATOM 0 HG LEU A 97 -9.333 2.249 5.901 1.00 0.76 H new ATOM 0 HD11 LEU A 97 -9.396 0.151 4.588 1.00 0.75 H new ATOM 0 HD12 LEU A 97 -10.064 -0.087 6.221 1.00 0.75 H new ATOM 0 HD13 LEU A 97 -11.158 0.057 4.824 1.00 0.75 H new ATOM 0 HD21 LEU A 97 -9.675 2.326 3.426 1.00 0.92 H new ATOM 0 HD22 LEU A 97 -11.436 2.267 3.676 1.00 0.92 H new ATOM 0 HD23 LEU A 97 -10.506 3.679 4.231 1.00 0.92 H new ATOM 1591 N ALA A 98 -10.114 -0.279 8.311 1.00 0.45 N ATOM 1592 CA ALA A 98 -10.130 -1.764 8.438 1.00 0.49 C ATOM 1593 C ALA A 98 -10.625 -2.152 9.833 1.00 0.41 C ATOM 1594 O ALA A 98 -11.750 -2.578 10.007 1.00 0.53 O ATOM 1595 CB ALA A 98 -8.716 -2.308 8.230 1.00 0.54 C ATOM 0 H ALA A 98 -9.220 0.165 8.519 1.00 0.45 H new ATOM 0 HA ALA A 98 -10.797 -2.186 7.686 1.00 0.49 H new ATOM 0 HB1 ALA A 98 -8.727 -3.394 8.323 1.00 0.54 H new ATOM 0 HB2 ALA A 98 -8.362 -2.032 7.237 1.00 0.54 H new ATOM 0 HB3 ALA A 98 -8.050 -1.886 8.982 1.00 0.54 H new ATOM 1601 N GLY A 99 -9.794 -2.006 10.830 1.00 0.31 N ATOM 1602 CA GLY A 99 -10.218 -2.366 12.211 1.00 0.36 C ATOM 1603 C GLY A 99 -10.048 -3.871 12.424 1.00 0.50 C ATOM 1604 O GLY A 99 -10.994 -4.630 12.338 1.00 1.28 O ATOM 0 H GLY A 99 -8.841 -1.653 10.746 1.00 0.31 H new ATOM 0 HA2 GLY A 99 -9.623 -1.816 12.940 1.00 0.36 H new ATOM 0 HA3 GLY A 99 -11.258 -2.081 12.369 1.00 0.36 H new ATOM 1608 N LEU A 100 -8.851 -4.310 12.698 1.00 0.48 N ATOM 1609 CA LEU A 100 -8.621 -5.767 12.915 1.00 0.45 C ATOM 1610 C LEU A 100 -7.513 -5.958 13.954 1.00 0.46 C ATOM 1611 O LEU A 100 -6.411 -5.470 13.798 1.00 0.51 O ATOM 1612 CB LEU A 100 -8.200 -6.418 11.596 1.00 0.45 C ATOM 1613 CG LEU A 100 -9.406 -7.111 10.958 1.00 0.41 C ATOM 1614 CD1 LEU A 100 -9.133 -7.344 9.471 1.00 0.48 C ATOM 1615 CD2 LEU A 100 -9.647 -8.457 11.646 1.00 0.37 C ATOM 0 H LEU A 100 -8.021 -3.723 12.781 1.00 0.48 H new ATOM 0 HA LEU A 100 -9.540 -6.231 13.273 1.00 0.45 H new ATOM 0 HB2 LEU A 100 -7.800 -5.664 10.918 1.00 0.45 H new ATOM 0 HB3 LEU A 100 -7.404 -7.141 11.773 1.00 0.45 H new ATOM 0 HG LEU A 100 -10.288 -6.480 11.073 1.00 0.41 H new ATOM 0 HD11 LEU A 100 -9.992 -7.838 9.016 1.00 0.48 H new ATOM 0 HD12 LEU A 100 -8.962 -6.387 8.978 1.00 0.48 H new ATOM 0 HD13 LEU A 100 -8.251 -7.974 9.357 1.00 0.48 H new ATOM 0 HD21 LEU A 100 -10.506 -8.950 11.191 1.00 0.37 H new ATOM 0 HD22 LEU A 100 -8.765 -9.087 11.532 1.00 0.37 H new ATOM 0 HD23 LEU A 100 -9.842 -8.294 12.706 1.00 0.37 H new ATOM 1627 N ASN A 101 -7.797 -6.664 15.014 1.00 0.41 N ATOM 1628 CA ASN A 101 -6.760 -6.885 16.061 1.00 0.43 C ATOM 1629 C ASN A 101 -5.788 -7.973 15.595 1.00 0.41 C ATOM 1630 O ASN A 101 -4.696 -7.691 15.144 1.00 0.37 O ATOM 1631 CB ASN A 101 -7.434 -7.327 17.361 1.00 0.46 C ATOM 1632 CG ASN A 101 -8.321 -6.197 17.886 1.00 0.64 C ATOM 1633 OD1 ASN A 101 -8.107 -5.044 17.569 1.00 1.61 O ATOM 1634 ND2 ASN A 101 -9.316 -6.480 18.681 1.00 1.92 N ATOM 0 H ASN A 101 -8.702 -7.097 15.200 1.00 0.41 H new ATOM 0 HA ASN A 101 -6.213 -5.958 16.232 1.00 0.43 H new ATOM 0 HB2 ASN A 101 -8.032 -8.222 17.187 1.00 0.46 H new ATOM 0 HB3 ASN A 101 -6.680 -7.587 18.104 1.00 0.46 H new ATOM 0 HD21 ASN A 101 -9.914 -5.733 19.036 1.00 1.92 H new ATOM 0 HD22 ASN A 101 -9.496 -7.448 18.948 1.00 1.92 H new ATOM 1641 N SER A 102 -6.178 -9.214 15.702 1.00 0.49 N ATOM 1642 CA SER A 102 -5.276 -10.317 15.264 1.00 0.49 C ATOM 1643 C SER A 102 -5.406 -10.515 13.753 1.00 0.36 C ATOM 1644 O SER A 102 -6.483 -10.430 13.197 1.00 0.32 O ATOM 1645 CB SER A 102 -5.667 -11.609 15.984 1.00 0.61 C ATOM 1646 OG SER A 102 -4.494 -12.358 16.272 1.00 1.98 O ATOM 0 H SER A 102 -7.080 -9.511 16.073 1.00 0.49 H new ATOM 0 HA SER A 102 -4.245 -10.062 15.508 1.00 0.49 H new ATOM 0 HB2 SER A 102 -6.201 -11.378 16.906 1.00 0.61 H new ATOM 0 HB3 SER A 102 -6.344 -12.195 15.362 1.00 0.61 H new ATOM 0 HG SER A 102 -4.740 -13.186 16.735 1.00 1.98 H new ATOM 1652 N CYS A 103 -4.317 -10.777 13.084 1.00 0.38 N ATOM 1653 CA CYS A 103 -4.379 -10.980 11.609 1.00 0.30 C ATOM 1654 C CYS A 103 -3.078 -11.629 11.121 1.00 0.41 C ATOM 1655 O CYS A 103 -2.306 -11.001 10.425 1.00 0.50 O ATOM 1656 CB CYS A 103 -4.551 -9.623 10.923 1.00 0.33 C ATOM 1657 SG CYS A 103 -4.937 -9.877 9.172 1.00 0.27 S ATOM 0 H CYS A 103 -3.387 -10.859 13.495 1.00 0.38 H new ATOM 0 HA CYS A 103 -5.221 -11.629 11.367 1.00 0.30 H new ATOM 0 HB2 CYS A 103 -5.350 -9.059 11.404 1.00 0.33 H new ATOM 0 HB3 CYS A 103 -3.639 -9.034 11.024 1.00 0.33 H new ATOM 1662 N PRO A 104 -2.865 -12.869 11.500 1.00 0.44 N ATOM 1663 CA PRO A 104 -1.650 -13.603 11.101 1.00 0.59 C ATOM 1664 C PRO A 104 -1.608 -13.771 9.581 1.00 0.64 C ATOM 1665 O PRO A 104 -2.629 -13.888 8.931 1.00 0.60 O ATOM 1666 CB PRO A 104 -1.769 -14.967 11.793 1.00 0.60 C ATOM 1667 CG PRO A 104 -3.099 -14.980 12.587 1.00 0.44 C ATOM 1668 CD PRO A 104 -3.801 -13.635 12.347 1.00 0.33 C ATOM 0 HA PRO A 104 -0.737 -13.080 11.385 1.00 0.59 H new ATOM 0 HB2 PRO A 104 -1.755 -15.771 11.057 1.00 0.60 H new ATOM 0 HB3 PRO A 104 -0.924 -15.132 12.461 1.00 0.60 H new ATOM 0 HG2 PRO A 104 -3.732 -15.805 12.260 1.00 0.44 H new ATOM 0 HG3 PRO A 104 -2.908 -15.127 13.650 1.00 0.44 H new ATOM 0 HD2 PRO A 104 -4.762 -13.773 11.851 1.00 0.33 H new ATOM 0 HD3 PRO A 104 -3.999 -13.118 13.286 1.00 0.33 H new ATOM 1676 N VAL A 105 -0.435 -13.785 9.009 1.00 0.74 N ATOM 1677 CA VAL A 105 -0.327 -13.946 7.531 1.00 0.81 C ATOM 1678 C VAL A 105 -0.140 -15.427 7.191 1.00 0.89 C ATOM 1679 O VAL A 105 0.474 -16.169 7.930 1.00 0.86 O ATOM 1680 CB VAL A 105 0.875 -13.151 7.018 1.00 0.89 C ATOM 1681 CG1 VAL A 105 2.159 -13.721 7.620 1.00 0.92 C ATOM 1682 CG2 VAL A 105 0.938 -13.252 5.492 1.00 0.99 C ATOM 0 H VAL A 105 0.453 -13.692 9.501 1.00 0.74 H new ATOM 0 HA VAL A 105 -1.237 -13.576 7.058 1.00 0.81 H new ATOM 0 HB VAL A 105 0.771 -12.106 7.310 1.00 0.89 H new ATOM 0 HG11 VAL A 105 3.015 -13.154 7.254 1.00 0.92 H new ATOM 0 HG12 VAL A 105 2.114 -13.650 8.707 1.00 0.92 H new ATOM 0 HG13 VAL A 105 2.265 -14.766 7.329 1.00 0.92 H new ATOM 0 HG21 VAL A 105 1.794 -12.686 5.125 1.00 0.99 H new ATOM 0 HG22 VAL A 105 1.042 -14.297 5.201 1.00 0.99 H new ATOM 0 HG23 VAL A 105 0.023 -12.845 5.062 1.00 0.99 H new ATOM 1692 N LYS A 106 -0.667 -15.861 6.079 1.00 1.03 N ATOM 1693 CA LYS A 106 -0.519 -17.293 5.694 1.00 1.13 C ATOM 1694 C LYS A 106 0.715 -17.457 4.804 1.00 1.14 C ATOM 1695 O LYS A 106 1.792 -16.995 5.128 1.00 1.10 O ATOM 1696 CB LYS A 106 -1.764 -17.747 4.929 1.00 1.11 C ATOM 1697 CG LYS A 106 -1.820 -19.275 4.906 1.00 1.33 C ATOM 1698 CD LYS A 106 -2.357 -19.746 3.552 1.00 1.57 C ATOM 1699 CE LYS A 106 -2.820 -21.199 3.664 1.00 1.87 C ATOM 1700 NZ LYS A 106 -4.066 -21.262 4.480 1.00 2.00 N ATOM 0 H LYS A 106 -1.193 -15.286 5.421 1.00 1.03 H new ATOM 0 HA LYS A 106 -0.403 -17.900 6.592 1.00 1.13 H new ATOM 0 HB2 LYS A 106 -2.661 -17.347 5.402 1.00 1.11 H new ATOM 0 HB3 LYS A 106 -1.740 -17.358 3.911 1.00 1.11 H new ATOM 0 HG2 LYS A 106 -0.826 -19.689 5.079 1.00 1.33 H new ATOM 0 HG3 LYS A 106 -2.461 -19.638 5.710 1.00 1.33 H new ATOM 0 HD2 LYS A 106 -3.186 -19.112 3.237 1.00 1.57 H new ATOM 0 HD3 LYS A 106 -1.582 -19.658 2.791 1.00 1.57 H new ATOM 0 HE2 LYS A 106 -3.001 -21.612 2.672 1.00 1.87 H new ATOM 0 HE3 LYS A 106 -2.040 -21.806 4.124 1.00 1.87 H new ATOM 0 HZ1 LYS A 106 -4.606 -22.113 4.224 1.00 2.00 H new ATOM 0 HZ2 LYS A 106 -3.818 -21.300 5.489 1.00 2.00 H new ATOM 0 HZ3 LYS A 106 -4.644 -20.417 4.297 1.00 2.00 H new ATOM 1714 N GLU A 107 0.567 -18.113 3.685 1.00 1.21 N ATOM 1715 CA GLU A 107 1.732 -18.306 2.774 1.00 1.25 C ATOM 1716 C GLU A 107 1.749 -17.193 1.725 1.00 0.45 C ATOM 1717 O GLU A 107 0.996 -16.243 1.801 1.00 0.52 O ATOM 1718 CB GLU A 107 1.612 -19.663 2.077 1.00 1.81 C ATOM 1719 CG GLU A 107 2.193 -20.754 2.979 1.00 2.48 C ATOM 1720 CD GLU A 107 1.563 -22.102 2.621 1.00 3.79 C ATOM 1721 OE1 GLU A 107 0.398 -22.289 2.931 1.00 4.71 O ATOM 1722 OE2 GLU A 107 2.257 -22.924 2.045 1.00 4.10 O ATOM 0 H GLU A 107 -0.309 -18.523 3.362 1.00 1.21 H new ATOM 0 HA GLU A 107 2.656 -18.274 3.352 1.00 1.25 H new ATOM 0 HB2 GLU A 107 0.567 -19.878 1.855 1.00 1.81 H new ATOM 0 HB3 GLU A 107 2.142 -19.643 1.125 1.00 1.81 H new ATOM 0 HG2 GLU A 107 3.275 -20.803 2.858 1.00 2.48 H new ATOM 0 HG3 GLU A 107 2.000 -20.517 4.025 1.00 2.48 H new ATOM 1729 N ALA A 108 2.603 -17.302 0.744 1.00 0.65 N ATOM 1730 CA ALA A 108 2.667 -16.251 -0.309 1.00 0.32 C ATOM 1731 C ALA A 108 3.877 -16.504 -1.210 1.00 0.39 C ATOM 1732 O ALA A 108 4.880 -17.039 -0.783 1.00 0.54 O ATOM 1733 CB ALA A 108 2.803 -14.876 0.351 1.00 1.18 C ATOM 0 H ALA A 108 3.259 -18.074 0.627 1.00 0.65 H new ATOM 0 HA ALA A 108 1.756 -16.280 -0.907 1.00 0.32 H new ATOM 0 HB1 ALA A 108 2.850 -14.106 -0.419 1.00 1.18 H new ATOM 0 HB2 ALA A 108 1.942 -14.694 0.994 1.00 1.18 H new ATOM 0 HB3 ALA A 108 3.714 -14.848 0.948 1.00 1.18 H new ATOM 1739 N ASP A 109 3.790 -16.125 -2.457 1.00 0.40 N ATOM 1740 CA ASP A 109 4.935 -16.345 -3.384 1.00 0.56 C ATOM 1741 C ASP A 109 5.827 -15.103 -3.397 1.00 0.62 C ATOM 1742 O ASP A 109 6.631 -14.894 -2.510 1.00 0.92 O ATOM 1743 CB ASP A 109 4.405 -16.607 -4.796 1.00 0.65 C ATOM 1744 CG ASP A 109 3.935 -18.059 -4.904 1.00 0.85 C ATOM 1745 OD1 ASP A 109 4.650 -18.929 -4.435 1.00 1.71 O ATOM 1746 OD2 ASP A 109 2.868 -18.277 -5.454 1.00 0.59 O ATOM 0 H ASP A 109 2.976 -15.673 -2.873 1.00 0.40 H new ATOM 0 HA ASP A 109 5.514 -17.205 -3.048 1.00 0.56 H new ATOM 0 HB2 ASP A 109 3.581 -15.929 -5.018 1.00 0.65 H new ATOM 0 HB3 ASP A 109 5.186 -16.411 -5.531 1.00 0.65 H new ATOM 1751 N GLN A 110 5.694 -14.275 -4.397 1.00 0.47 N ATOM 1752 CA GLN A 110 6.535 -13.048 -4.465 1.00 0.51 C ATOM 1753 C GLN A 110 6.029 -12.145 -5.593 1.00 0.53 C ATOM 1754 O GLN A 110 5.393 -12.598 -6.525 1.00 0.54 O ATOM 1755 CB GLN A 110 7.989 -13.439 -4.739 1.00 0.63 C ATOM 1756 CG GLN A 110 8.885 -12.208 -4.599 1.00 0.45 C ATOM 1757 CD GLN A 110 10.350 -12.624 -4.741 1.00 0.97 C ATOM 1758 OE1 GLN A 110 10.666 -13.536 -5.480 1.00 1.53 O ATOM 1759 NE2 GLN A 110 11.265 -11.990 -4.060 1.00 1.72 N ATOM 0 H GLN A 110 5.039 -14.396 -5.170 1.00 0.47 H new ATOM 0 HA GLN A 110 6.475 -12.514 -3.516 1.00 0.51 H new ATOM 0 HB2 GLN A 110 8.306 -14.214 -4.041 1.00 0.63 H new ATOM 0 HB3 GLN A 110 8.081 -13.857 -5.742 1.00 0.63 H new ATOM 0 HG2 GLN A 110 8.630 -11.471 -5.360 1.00 0.45 H new ATOM 0 HG3 GLN A 110 8.722 -11.735 -3.630 1.00 0.45 H new ATOM 0 HE21 GLN A 110 11.000 -11.225 -3.440 1.00 1.72 H new ATOM 0 HE22 GLN A 110 12.245 -12.260 -4.148 1.00 1.72 H new ATOM 1768 N SER A 111 6.308 -10.872 -5.519 1.00 0.56 N ATOM 1769 CA SER A 111 5.843 -9.944 -6.588 1.00 0.59 C ATOM 1770 C SER A 111 6.641 -8.641 -6.515 1.00 0.54 C ATOM 1771 O SER A 111 7.256 -8.333 -5.513 1.00 0.59 O ATOM 1772 CB SER A 111 4.357 -9.644 -6.390 1.00 0.64 C ATOM 1773 OG SER A 111 4.124 -9.298 -5.031 1.00 0.53 O ATOM 0 H SER A 111 6.838 -10.435 -4.765 1.00 0.56 H new ATOM 0 HA SER A 111 5.994 -10.407 -7.563 1.00 0.59 H new ATOM 0 HB2 SER A 111 4.049 -8.827 -7.043 1.00 0.64 H new ATOM 0 HB3 SER A 111 3.759 -10.513 -6.663 1.00 0.64 H new ATOM 0 HG SER A 111 3.172 -9.103 -4.902 1.00 0.53 H new ATOM 1779 N THR A 112 6.635 -7.872 -7.569 1.00 0.46 N ATOM 1780 CA THR A 112 7.394 -6.588 -7.558 1.00 0.41 C ATOM 1781 C THR A 112 6.509 -5.477 -6.990 1.00 0.46 C ATOM 1782 O THR A 112 5.298 -5.525 -7.085 1.00 0.63 O ATOM 1783 CB THR A 112 7.809 -6.230 -8.988 1.00 0.36 C ATOM 1784 OG1 THR A 112 6.774 -6.604 -9.887 1.00 0.63 O ATOM 1785 CG2 THR A 112 9.095 -6.973 -9.350 1.00 0.26 C ATOM 0 H THR A 112 6.138 -8.076 -8.436 1.00 0.46 H new ATOM 0 HA THR A 112 8.283 -6.696 -6.937 1.00 0.41 H new ATOM 0 HB THR A 112 7.982 -5.156 -9.058 1.00 0.36 H new ATOM 0 HG1 THR A 112 6.962 -6.234 -10.775 1.00 0.63 H new ATOM 0 HG21 THR A 112 9.389 -6.717 -10.368 1.00 0.26 H new ATOM 0 HG22 THR A 112 9.888 -6.685 -8.660 1.00 0.26 H new ATOM 0 HG23 THR A 112 8.926 -8.048 -9.280 1.00 0.26 H new ATOM 1793 N LEU A 113 7.103 -4.476 -6.401 1.00 0.37 N ATOM 1794 CA LEU A 113 6.294 -3.363 -5.828 1.00 0.39 C ATOM 1795 C LEU A 113 5.433 -2.745 -6.931 1.00 0.45 C ATOM 1796 O LEU A 113 4.262 -2.482 -6.743 1.00 0.76 O ATOM 1797 CB LEU A 113 7.237 -2.302 -5.244 1.00 0.36 C ATOM 1798 CG LEU A 113 6.444 -1.059 -4.817 1.00 0.48 C ATOM 1799 CD1 LEU A 113 5.292 -1.464 -3.896 1.00 0.87 C ATOM 1800 CD2 LEU A 113 7.375 -0.102 -4.068 1.00 0.36 C ATOM 0 H LEU A 113 8.113 -4.380 -6.292 1.00 0.37 H new ATOM 0 HA LEU A 113 5.646 -3.743 -5.038 1.00 0.39 H new ATOM 0 HB2 LEU A 113 7.771 -2.713 -4.387 1.00 0.36 H new ATOM 0 HB3 LEU A 113 7.987 -2.026 -5.985 1.00 0.36 H new ATOM 0 HG LEU A 113 6.039 -0.569 -5.703 1.00 0.48 H new ATOM 0 HD11 LEU A 113 4.735 -0.576 -3.598 1.00 0.87 H new ATOM 0 HD12 LEU A 113 4.628 -2.149 -4.423 1.00 0.87 H new ATOM 0 HD13 LEU A 113 5.691 -1.956 -3.009 1.00 0.87 H new ATOM 0 HD21 LEU A 113 6.817 0.783 -3.762 1.00 0.36 H new ATOM 0 HD22 LEU A 113 7.776 -0.601 -3.186 1.00 0.36 H new ATOM 0 HD23 LEU A 113 8.195 0.194 -4.722 1.00 0.36 H new ATOM 1812 N GLU A 114 6.002 -2.513 -8.082 1.00 0.18 N ATOM 1813 CA GLU A 114 5.215 -1.913 -9.195 1.00 0.25 C ATOM 1814 C GLU A 114 4.014 -2.808 -9.508 1.00 0.32 C ATOM 1815 O GLU A 114 2.882 -2.461 -9.232 1.00 0.40 O ATOM 1816 CB GLU A 114 6.099 -1.794 -10.438 1.00 0.21 C ATOM 1817 CG GLU A 114 5.419 -0.882 -11.462 1.00 0.25 C ATOM 1818 CD GLU A 114 6.267 -0.822 -12.734 1.00 0.48 C ATOM 1819 OE1 GLU A 114 6.958 -1.789 -13.008 1.00 1.49 O ATOM 1820 OE2 GLU A 114 6.209 0.189 -13.414 1.00 1.22 O ATOM 0 H GLU A 114 6.978 -2.713 -8.299 1.00 0.18 H new ATOM 0 HA GLU A 114 4.865 -0.923 -8.902 1.00 0.25 H new ATOM 0 HB2 GLU A 114 7.074 -1.390 -10.166 1.00 0.21 H new ATOM 0 HB3 GLU A 114 6.271 -2.780 -10.871 1.00 0.21 H new ATOM 0 HG2 GLU A 114 4.422 -1.257 -11.694 1.00 0.25 H new ATOM 0 HG3 GLU A 114 5.294 0.118 -11.048 1.00 0.25 H new ATOM 1827 N ASN A 115 4.250 -3.957 -10.080 1.00 0.31 N ATOM 1828 CA ASN A 115 3.120 -4.871 -10.408 1.00 0.42 C ATOM 1829 C ASN A 115 2.198 -4.994 -9.192 1.00 0.42 C ATOM 1830 O ASN A 115 0.990 -4.970 -9.313 1.00 0.51 O ATOM 1831 CB ASN A 115 3.668 -6.251 -10.775 1.00 0.45 C ATOM 1832 CG ASN A 115 4.342 -6.185 -12.146 1.00 0.45 C ATOM 1833 OD1 ASN A 115 4.068 -5.296 -12.928 1.00 0.66 O ATOM 1834 ND2 ASN A 115 5.219 -7.094 -12.474 1.00 1.66 N ATOM 0 H ASN A 115 5.176 -4.302 -10.334 1.00 0.31 H new ATOM 0 HA ASN A 115 2.559 -4.469 -11.252 1.00 0.42 H new ATOM 0 HB2 ASN A 115 4.383 -6.582 -10.022 1.00 0.45 H new ATOM 0 HB3 ASN A 115 2.860 -6.982 -10.790 1.00 0.45 H new ATOM 0 HD21 ASN A 115 5.674 -7.058 -13.386 1.00 1.66 H new ATOM 0 HD22 ASN A 115 5.449 -7.840 -11.818 1.00 1.66 H new ATOM 1841 N PHE A 116 2.760 -5.127 -8.022 1.00 0.32 N ATOM 1842 CA PHE A 116 1.918 -5.251 -6.800 1.00 0.31 C ATOM 1843 C PHE A 116 0.989 -4.039 -6.700 1.00 0.32 C ATOM 1844 O PHE A 116 -0.199 -4.172 -6.483 1.00 0.35 O ATOM 1845 CB PHE A 116 2.818 -5.308 -5.564 1.00 0.27 C ATOM 1846 CG PHE A 116 1.965 -5.297 -4.318 1.00 0.26 C ATOM 1847 CD1 PHE A 116 1.441 -6.494 -3.818 1.00 0.29 C ATOM 1848 CD2 PHE A 116 1.700 -4.088 -3.663 1.00 0.32 C ATOM 1849 CE1 PHE A 116 0.650 -6.484 -2.663 1.00 0.30 C ATOM 1850 CE2 PHE A 116 0.911 -4.077 -2.507 1.00 0.31 C ATOM 1851 CZ PHE A 116 0.385 -5.274 -2.007 1.00 0.25 C ATOM 0 H PHE A 116 3.767 -5.155 -7.860 1.00 0.32 H new ATOM 0 HA PHE A 116 1.323 -6.163 -6.857 1.00 0.31 H new ATOM 0 HB2 PHE A 116 3.432 -6.208 -5.589 1.00 0.27 H new ATOM 0 HB3 PHE A 116 3.500 -4.458 -5.558 1.00 0.27 H new ATOM 0 HD1 PHE A 116 1.647 -7.426 -4.323 1.00 0.29 H new ATOM 0 HD2 PHE A 116 2.104 -3.164 -4.050 1.00 0.32 H new ATOM 0 HE1 PHE A 116 0.244 -7.408 -2.278 1.00 0.30 H new ATOM 0 HE2 PHE A 116 0.708 -3.145 -2.001 1.00 0.31 H new ATOM 0 HZ PHE A 116 -0.225 -5.265 -1.116 1.00 0.25 H new ATOM 1861 N LEU A 117 1.522 -2.858 -6.855 1.00 0.31 N ATOM 1862 CA LEU A 117 0.669 -1.639 -6.770 1.00 0.33 C ATOM 1863 C LEU A 117 -0.315 -1.623 -7.942 1.00 0.37 C ATOM 1864 O LEU A 117 -1.381 -1.046 -7.862 1.00 0.43 O ATOM 1865 CB LEU A 117 1.553 -0.392 -6.829 1.00 0.31 C ATOM 1866 CG LEU A 117 1.862 0.087 -5.409 1.00 0.27 C ATOM 1867 CD1 LEU A 117 3.103 0.982 -5.431 1.00 0.29 C ATOM 1868 CD2 LEU A 117 0.674 0.885 -4.865 1.00 0.29 C ATOM 0 H LEU A 117 2.511 -2.685 -7.037 1.00 0.31 H new ATOM 0 HA LEU A 117 0.116 -1.647 -5.831 1.00 0.33 H new ATOM 0 HB2 LEU A 117 2.480 -0.616 -7.358 1.00 0.31 H new ATOM 0 HB3 LEU A 117 1.049 0.397 -7.388 1.00 0.31 H new ATOM 0 HG LEU A 117 2.044 -0.777 -4.770 1.00 0.27 H new ATOM 0 HD11 LEU A 117 3.323 1.323 -4.420 1.00 0.29 H new ATOM 0 HD12 LEU A 117 3.952 0.417 -5.816 1.00 0.29 H new ATOM 0 HD13 LEU A 117 2.919 1.844 -6.073 1.00 0.29 H new ATOM 0 HD21 LEU A 117 0.897 1.225 -3.854 1.00 0.29 H new ATOM 0 HD22 LEU A 117 0.491 1.748 -5.506 1.00 0.29 H new ATOM 0 HD23 LEU A 117 -0.213 0.251 -4.848 1.00 0.29 H new ATOM 1880 N GLU A 118 0.035 -2.250 -9.032 1.00 0.35 N ATOM 1881 CA GLU A 118 -0.879 -2.270 -10.207 1.00 0.39 C ATOM 1882 C GLU A 118 -2.100 -3.136 -9.891 1.00 0.42 C ATOM 1883 O GLU A 118 -3.228 -2.698 -9.994 1.00 0.51 O ATOM 1884 CB GLU A 118 -0.142 -2.848 -11.417 1.00 0.40 C ATOM 1885 CG GLU A 118 -0.811 -2.362 -12.704 1.00 0.35 C ATOM 1886 CD GLU A 118 -0.253 -0.988 -13.081 1.00 0.71 C ATOM 1887 OE1 GLU A 118 0.357 -0.363 -12.229 1.00 1.81 O ATOM 1888 OE2 GLU A 118 -0.446 -0.584 -14.216 1.00 0.81 O ATOM 0 H GLU A 118 0.915 -2.749 -9.159 1.00 0.35 H new ATOM 0 HA GLU A 118 -1.204 -1.254 -10.431 1.00 0.39 H new ATOM 0 HB2 GLU A 118 0.904 -2.540 -11.400 1.00 0.40 H new ATOM 0 HB3 GLU A 118 -0.155 -3.937 -11.377 1.00 0.40 H new ATOM 0 HG2 GLU A 118 -0.632 -3.073 -13.511 1.00 0.35 H new ATOM 0 HG3 GLU A 118 -1.891 -2.303 -12.565 1.00 0.35 H new ATOM 1895 N ARG A 119 -1.883 -4.364 -9.507 1.00 0.42 N ATOM 1896 CA ARG A 119 -3.031 -5.258 -9.184 1.00 0.44 C ATOM 1897 C ARG A 119 -3.769 -4.717 -7.958 1.00 0.46 C ATOM 1898 O ARG A 119 -4.964 -4.890 -7.814 1.00 0.58 O ATOM 1899 CB ARG A 119 -2.515 -6.667 -8.888 1.00 0.44 C ATOM 1900 CG ARG A 119 -1.506 -6.611 -7.740 1.00 0.43 C ATOM 1901 CD ARG A 119 -0.907 -8.001 -7.518 1.00 0.54 C ATOM 1902 NE ARG A 119 -1.983 -9.028 -7.610 1.00 1.18 N ATOM 1903 CZ ARG A 119 -1.673 -10.287 -7.753 1.00 1.47 C ATOM 1904 NH1 ARG A 119 -0.421 -10.648 -7.818 1.00 1.16 N ATOM 1905 NH2 ARG A 119 -2.616 -11.185 -7.833 1.00 2.18 N ATOM 0 H ARG A 119 -0.961 -4.787 -9.403 1.00 0.42 H new ATOM 0 HA ARG A 119 -3.713 -5.293 -10.033 1.00 0.44 H new ATOM 0 HB2 ARG A 119 -3.346 -7.322 -8.624 1.00 0.44 H new ATOM 0 HB3 ARG A 119 -2.047 -7.088 -9.777 1.00 0.44 H new ATOM 0 HG2 ARG A 119 -0.716 -5.896 -7.970 1.00 0.43 H new ATOM 0 HG3 ARG A 119 -1.994 -6.264 -6.829 1.00 0.43 H new ATOM 0 HD2 ARG A 119 -0.136 -8.199 -8.263 1.00 0.54 H new ATOM 0 HD3 ARG A 119 -0.426 -8.049 -6.541 1.00 0.54 H new ATOM 0 HE ARG A 119 -2.962 -8.746 -7.561 1.00 1.18 H new ATOM 0 HH11 ARG A 119 0.316 -9.946 -7.757 1.00 1.16 H new ATOM 0 HH12 ARG A 119 -0.179 -11.633 -7.930 1.00 1.16 H new ATOM 0 HH21 ARG A 119 -3.595 -10.902 -7.784 1.00 2.18 H new ATOM 0 HH22 ARG A 119 -2.374 -12.170 -7.945 1.00 2.18 H new ATOM 1919 N LEU A 120 -3.069 -4.062 -7.073 1.00 0.36 N ATOM 1920 CA LEU A 120 -3.732 -3.511 -5.857 1.00 0.37 C ATOM 1921 C LEU A 120 -4.589 -2.307 -6.255 1.00 0.37 C ATOM 1922 O LEU A 120 -5.787 -2.291 -6.050 1.00 0.35 O ATOM 1923 CB LEU A 120 -2.664 -3.073 -4.850 1.00 0.41 C ATOM 1924 CG LEU A 120 -3.270 -2.992 -3.444 1.00 0.42 C ATOM 1925 CD1 LEU A 120 -2.170 -2.659 -2.435 1.00 0.46 C ATOM 1926 CD2 LEU A 120 -4.345 -1.901 -3.397 1.00 0.42 C ATOM 0 H LEU A 120 -2.067 -3.884 -7.139 1.00 0.36 H new ATOM 0 HA LEU A 120 -4.364 -4.274 -5.403 1.00 0.37 H new ATOM 0 HB2 LEU A 120 -1.834 -3.780 -4.857 1.00 0.41 H new ATOM 0 HB3 LEU A 120 -2.259 -2.103 -5.137 1.00 0.41 H new ATOM 0 HG LEU A 120 -3.722 -3.952 -3.196 1.00 0.42 H new ATOM 0 HD11 LEU A 120 -2.599 -2.601 -1.435 1.00 0.46 H new ATOM 0 HD12 LEU A 120 -1.407 -3.437 -2.458 1.00 0.46 H new ATOM 0 HD13 LEU A 120 -1.718 -1.701 -2.692 1.00 0.46 H new ATOM 0 HD21 LEU A 120 -4.769 -1.851 -2.394 1.00 0.42 H new ATOM 0 HD22 LEU A 120 -3.899 -0.939 -3.650 1.00 0.42 H new ATOM 0 HD23 LEU A 120 -5.133 -2.135 -4.113 1.00 0.42 H new ATOM 1938 N LYS A 121 -3.986 -1.299 -6.823 1.00 0.38 N ATOM 1939 CA LYS A 121 -4.768 -0.099 -7.233 1.00 0.38 C ATOM 1940 C LYS A 121 -6.020 -0.542 -7.992 1.00 0.38 C ATOM 1941 O LYS A 121 -7.097 -0.019 -7.790 1.00 0.37 O ATOM 1942 CB LYS A 121 -3.908 0.784 -8.140 1.00 0.39 C ATOM 1943 CG LYS A 121 -4.623 2.114 -8.387 1.00 0.40 C ATOM 1944 CD LYS A 121 -4.618 2.428 -9.884 1.00 0.83 C ATOM 1945 CE LYS A 121 -3.177 2.472 -10.393 1.00 0.95 C ATOM 1946 NZ LYS A 121 -2.971 3.709 -11.198 1.00 0.86 N ATOM 0 H LYS A 121 -2.986 -1.255 -7.021 1.00 0.38 H new ATOM 0 HA LYS A 121 -5.060 0.465 -6.347 1.00 0.38 H new ATOM 0 HB2 LYS A 121 -2.937 0.962 -7.677 1.00 0.39 H new ATOM 0 HB3 LYS A 121 -3.722 0.278 -9.087 1.00 0.39 H new ATOM 0 HG2 LYS A 121 -5.648 2.061 -8.019 1.00 0.40 H new ATOM 0 HG3 LYS A 121 -4.127 2.913 -7.836 1.00 0.40 H new ATOM 0 HD2 LYS A 121 -5.183 1.670 -10.427 1.00 0.83 H new ATOM 0 HD3 LYS A 121 -5.109 3.384 -10.067 1.00 0.83 H new ATOM 0 HE2 LYS A 121 -2.483 2.452 -9.553 1.00 0.95 H new ATOM 0 HE3 LYS A 121 -2.968 1.591 -11.000 1.00 0.95 H new ATOM 0 HZ1 LYS A 121 -1.991 3.739 -11.544 1.00 0.86 H new ATOM 0 HZ2 LYS A 121 -3.624 3.709 -12.007 1.00 0.86 H new ATOM 0 HZ3 LYS A 121 -3.154 4.544 -10.605 1.00 0.86 H new ATOM 1960 N THR A 122 -5.887 -1.502 -8.865 1.00 0.39 N ATOM 1961 CA THR A 122 -7.071 -1.978 -9.635 1.00 0.40 C ATOM 1962 C THR A 122 -8.124 -2.519 -8.665 1.00 0.40 C ATOM 1963 O THR A 122 -9.289 -2.187 -8.752 1.00 0.38 O ATOM 1964 CB THR A 122 -6.642 -3.089 -10.596 1.00 0.48 C ATOM 1965 OG1 THR A 122 -5.333 -2.818 -11.077 1.00 0.73 O ATOM 1966 CG2 THR A 122 -7.618 -3.150 -11.773 1.00 0.26 C ATOM 0 H THR A 122 -5.010 -1.977 -9.079 1.00 0.39 H new ATOM 0 HA THR A 122 -7.492 -1.150 -10.204 1.00 0.40 H new ATOM 0 HB THR A 122 -6.646 -4.045 -10.073 1.00 0.48 H new ATOM 0 HG1 THR A 122 -4.673 -3.210 -10.468 1.00 0.73 H new ATOM 0 HG21 THR A 122 -7.313 -3.941 -12.458 1.00 0.26 H new ATOM 0 HG22 THR A 122 -8.622 -3.358 -11.403 1.00 0.26 H new ATOM 0 HG23 THR A 122 -7.615 -2.195 -12.298 1.00 0.26 H new ATOM 1974 N ILE A 123 -7.723 -3.348 -7.741 1.00 0.44 N ATOM 1975 CA ILE A 123 -8.701 -3.907 -6.767 1.00 0.49 C ATOM 1976 C ILE A 123 -9.458 -2.760 -6.095 1.00 0.45 C ATOM 1977 O ILE A 123 -10.673 -2.748 -6.050 1.00 0.41 O ATOM 1978 CB ILE A 123 -7.958 -4.720 -5.705 1.00 0.52 C ATOM 1979 CG1 ILE A 123 -7.481 -6.039 -6.316 1.00 0.56 C ATOM 1980 CG2 ILE A 123 -8.897 -5.010 -4.534 1.00 0.53 C ATOM 1981 CD1 ILE A 123 -6.420 -6.667 -5.411 1.00 0.58 C ATOM 0 H ILE A 123 -6.760 -3.662 -7.619 1.00 0.44 H new ATOM 0 HA ILE A 123 -9.406 -4.554 -7.289 1.00 0.49 H new ATOM 0 HB ILE A 123 -7.099 -4.152 -5.348 1.00 0.52 H new ATOM 0 HG12 ILE A 123 -8.322 -6.722 -6.436 1.00 0.56 H new ATOM 0 HG13 ILE A 123 -7.069 -5.864 -7.310 1.00 0.56 H new ATOM 0 HG21 ILE A 123 -8.367 -5.589 -3.778 1.00 0.53 H new ATOM 0 HG22 ILE A 123 -9.237 -4.070 -4.099 1.00 0.53 H new ATOM 0 HG23 ILE A 123 -9.757 -5.578 -4.889 1.00 0.53 H new ATOM 0 HD11 ILE A 123 -6.080 -7.607 -5.846 1.00 0.58 H new ATOM 0 HD12 ILE A 123 -5.575 -5.986 -5.314 1.00 0.58 H new ATOM 0 HD13 ILE A 123 -6.848 -6.857 -4.427 1.00 0.58 H new ATOM 1993 N MET A 124 -8.751 -1.796 -5.574 1.00 0.52 N ATOM 1994 CA MET A 124 -9.430 -0.650 -4.907 1.00 0.52 C ATOM 1995 C MET A 124 -10.551 -0.129 -5.808 1.00 0.52 C ATOM 1996 O MET A 124 -11.718 -0.212 -5.476 1.00 0.49 O ATOM 1997 CB MET A 124 -8.416 0.470 -4.659 1.00 0.47 C ATOM 1998 CG MET A 124 -7.682 0.211 -3.343 1.00 0.52 C ATOM 1999 SD MET A 124 -8.783 0.577 -1.955 1.00 0.73 S ATOM 2000 CE MET A 124 -7.500 0.987 -0.748 1.00 0.78 C ATOM 0 H MET A 124 -7.732 -1.752 -5.581 1.00 0.52 H new ATOM 0 HA MET A 124 -9.849 -0.979 -3.956 1.00 0.52 H new ATOM 0 HB2 MET A 124 -7.703 0.518 -5.482 1.00 0.47 H new ATOM 0 HB3 MET A 124 -8.924 1.433 -4.621 1.00 0.47 H new ATOM 0 HG2 MET A 124 -7.353 -0.827 -3.296 1.00 0.52 H new ATOM 0 HG3 MET A 124 -6.788 0.832 -3.285 1.00 0.52 H new ATOM 0 HE1 MET A 124 -7.961 1.418 0.141 1.00 0.78 H new ATOM 0 HE2 MET A 124 -6.957 0.083 -0.473 1.00 0.78 H new ATOM 0 HE3 MET A 124 -6.808 1.708 -1.183 1.00 0.78 H new ATOM 2010 N ARG A 125 -10.207 0.406 -6.947 1.00 0.56 N ATOM 2011 CA ARG A 125 -11.251 0.932 -7.870 1.00 0.56 C ATOM 2012 C ARG A 125 -12.324 -0.137 -8.088 1.00 0.57 C ATOM 2013 O ARG A 125 -13.455 0.163 -8.415 1.00 0.57 O ATOM 2014 CB ARG A 125 -10.610 1.293 -9.211 1.00 0.55 C ATOM 2015 CG ARG A 125 -9.454 2.269 -8.978 1.00 1.40 C ATOM 2016 CD ARG A 125 -9.766 3.603 -9.658 1.00 0.81 C ATOM 2017 NE ARG A 125 -11.111 4.078 -9.228 1.00 2.05 N ATOM 2018 CZ ARG A 125 -11.464 5.317 -9.437 1.00 2.74 C ATOM 2019 NH1 ARG A 125 -10.638 6.140 -10.023 1.00 2.34 N ATOM 2020 NH2 ARG A 125 -12.641 5.732 -9.060 1.00 4.08 N ATOM 0 H ARG A 125 -9.247 0.502 -7.278 1.00 0.56 H new ATOM 0 HA ARG A 125 -11.707 1.821 -7.435 1.00 0.56 H new ATOM 0 HB2 ARG A 125 -10.246 0.393 -9.706 1.00 0.55 H new ATOM 0 HB3 ARG A 125 -11.352 1.742 -9.872 1.00 0.55 H new ATOM 0 HG2 ARG A 125 -9.302 2.420 -7.909 1.00 1.40 H new ATOM 0 HG3 ARG A 125 -8.528 1.854 -9.376 1.00 1.40 H new ATOM 0 HD2 ARG A 125 -9.008 4.342 -9.398 1.00 0.81 H new ATOM 0 HD3 ARG A 125 -9.739 3.486 -10.741 1.00 0.81 H new ATOM 0 HE ARG A 125 -11.756 3.434 -8.770 1.00 2.05 H new ATOM 0 HH11 ARG A 125 -9.717 5.815 -10.317 1.00 2.34 H new ATOM 0 HH12 ARG A 125 -10.913 7.108 -10.187 1.00 2.34 H new ATOM 0 HH21 ARG A 125 -13.286 5.088 -8.602 1.00 4.08 H new ATOM 0 HH22 ARG A 125 -12.917 6.700 -9.223 1.00 4.08 H new ATOM 2034 N GLU A 126 -11.978 -1.382 -7.909 1.00 0.56 N ATOM 2035 CA GLU A 126 -12.979 -2.469 -8.104 1.00 0.57 C ATOM 2036 C GLU A 126 -13.954 -2.482 -6.925 1.00 0.58 C ATOM 2037 O GLU A 126 -15.144 -2.308 -7.089 1.00 0.64 O ATOM 2038 CB GLU A 126 -12.260 -3.817 -8.187 1.00 0.57 C ATOM 2039 CG GLU A 126 -12.940 -4.696 -9.237 1.00 0.51 C ATOM 2040 CD GLU A 126 -14.416 -4.874 -8.876 1.00 1.88 C ATOM 2041 OE1 GLU A 126 -14.688 -5.283 -7.759 1.00 2.84 O ATOM 2042 OE2 GLU A 126 -15.251 -4.596 -9.722 1.00 2.73 O ATOM 0 H GLU A 126 -11.046 -1.694 -7.636 1.00 0.56 H new ATOM 0 HA GLU A 126 -13.529 -2.294 -9.029 1.00 0.57 H new ATOM 0 HB2 GLU A 126 -11.212 -3.667 -8.447 1.00 0.57 H new ATOM 0 HB3 GLU A 126 -12.279 -4.312 -7.216 1.00 0.57 H new ATOM 0 HG2 GLU A 126 -12.848 -4.240 -10.223 1.00 0.51 H new ATOM 0 HG3 GLU A 126 -12.448 -5.667 -9.288 1.00 0.51 H new ATOM 2049 N LYS A 127 -13.456 -2.685 -5.736 1.00 0.55 N ATOM 2050 CA LYS A 127 -14.354 -2.708 -4.547 1.00 0.55 C ATOM 2051 C LYS A 127 -14.720 -1.274 -4.158 1.00 0.71 C ATOM 2052 O LYS A 127 -15.379 -1.038 -3.165 1.00 0.99 O ATOM 2053 CB LYS A 127 -13.637 -3.385 -3.377 1.00 0.52 C ATOM 2054 CG LYS A 127 -12.982 -4.681 -3.861 1.00 0.38 C ATOM 2055 CD LYS A 127 -12.298 -5.377 -2.682 1.00 0.61 C ATOM 2056 CE LYS A 127 -12.072 -6.851 -3.021 1.00 0.53 C ATOM 2057 NZ LYS A 127 -13.384 -7.506 -3.289 1.00 1.59 N ATOM 0 H LYS A 127 -12.467 -2.836 -5.537 1.00 0.55 H new ATOM 0 HA LYS A 127 -15.260 -3.264 -4.788 1.00 0.55 H new ATOM 0 HB2 LYS A 127 -12.882 -2.716 -2.963 1.00 0.52 H new ATOM 0 HB3 LYS A 127 -14.346 -3.600 -2.577 1.00 0.52 H new ATOM 0 HG2 LYS A 127 -13.732 -5.339 -4.300 1.00 0.38 H new ATOM 0 HG3 LYS A 127 -12.253 -4.463 -4.642 1.00 0.38 H new ATOM 0 HD2 LYS A 127 -11.346 -4.893 -2.463 1.00 0.61 H new ATOM 0 HD3 LYS A 127 -12.914 -5.289 -1.787 1.00 0.61 H new ATOM 0 HE2 LYS A 127 -11.424 -6.939 -3.893 1.00 0.53 H new ATOM 0 HE3 LYS A 127 -11.565 -7.351 -2.196 1.00 0.53 H new ATOM 0 HZ1 LYS A 127 -13.414 -8.430 -2.813 1.00 1.59 H new ATOM 0 HZ2 LYS A 127 -14.152 -6.905 -2.928 1.00 1.59 H new ATOM 0 HZ3 LYS A 127 -13.502 -7.641 -4.313 1.00 1.59 H new ATOM 2071 N TYR A 128 -14.297 -0.313 -4.935 1.00 0.54 N ATOM 2072 CA TYR A 128 -14.621 1.104 -4.611 1.00 0.68 C ATOM 2073 C TYR A 128 -16.117 1.346 -4.815 1.00 0.97 C ATOM 2074 O TYR A 128 -16.584 2.467 -4.789 1.00 1.04 O ATOM 2075 CB TYR A 128 -13.823 2.031 -5.530 1.00 0.41 C ATOM 2076 CG TYR A 128 -14.204 3.467 -5.255 1.00 0.34 C ATOM 2077 CD1 TYR A 128 -13.914 4.039 -4.010 1.00 0.32 C ATOM 2078 CD2 TYR A 128 -14.847 4.227 -6.241 1.00 0.33 C ATOM 2079 CE1 TYR A 128 -14.266 5.369 -3.751 1.00 0.27 C ATOM 2080 CE2 TYR A 128 -15.199 5.556 -5.982 1.00 0.31 C ATOM 2081 CZ TYR A 128 -14.908 6.127 -4.737 1.00 0.27 C ATOM 2082 OH TYR A 128 -15.254 7.439 -4.482 1.00 0.27 O ATOM 0 H TYR A 128 -13.741 -0.449 -5.779 1.00 0.54 H new ATOM 0 HA TYR A 128 -14.360 1.308 -3.573 1.00 0.68 H new ATOM 0 HB2 TYR A 128 -12.755 1.890 -5.367 1.00 0.41 H new ATOM 0 HB3 TYR A 128 -14.021 1.785 -6.573 1.00 0.41 H new ATOM 0 HD1 TYR A 128 -13.419 3.454 -3.249 1.00 0.32 H new ATOM 0 HD2 TYR A 128 -15.071 3.787 -7.201 1.00 0.33 H new ATOM 0 HE1 TYR A 128 -14.042 5.810 -2.791 1.00 0.27 H new ATOM 0 HE2 TYR A 128 -15.695 6.141 -6.742 1.00 0.31 H new ATOM 0 HH TYR A 128 -15.691 7.822 -5.272 1.00 0.27 H new ATOM 2092 N SER A 129 -16.874 0.302 -5.017 1.00 1.20 N ATOM 2093 CA SER A 129 -18.341 0.473 -5.221 1.00 1.55 C ATOM 2094 C SER A 129 -19.000 0.849 -3.894 1.00 1.83 C ATOM 2095 O SER A 129 -19.725 0.070 -3.307 1.00 1.80 O ATOM 2096 CB SER A 129 -18.940 -0.836 -5.736 1.00 1.79 C ATOM 2097 OG SER A 129 -18.742 -1.856 -4.766 1.00 2.66 O ATOM 0 H SER A 129 -16.540 -0.661 -5.050 1.00 1.20 H new ATOM 0 HA SER A 129 -18.517 1.264 -5.950 1.00 1.55 H new ATOM 0 HB2 SER A 129 -20.004 -0.709 -5.935 1.00 1.79 H new ATOM 0 HB3 SER A 129 -18.471 -1.118 -6.678 1.00 1.79 H new ATOM 0 HG SER A 129 -19.111 -1.566 -3.906 1.00 2.66 H new ATOM 2103 N LYS A 130 -18.755 2.037 -3.413 1.00 2.34 N ATOM 2104 CA LYS A 130 -19.367 2.461 -2.123 1.00 2.75 C ATOM 2105 C LYS A 130 -20.888 2.531 -2.279 1.00 2.53 C ATOM 2106 O LYS A 130 -21.524 1.582 -2.693 1.00 3.20 O ATOM 2107 CB LYS A 130 -18.832 3.840 -1.734 1.00 2.64 C ATOM 2108 CG LYS A 130 -19.153 4.844 -2.843 1.00 1.90 C ATOM 2109 CD LYS A 130 -17.870 5.555 -3.277 1.00 2.31 C ATOM 2110 CE LYS A 130 -18.200 6.597 -4.347 1.00 2.66 C ATOM 2111 NZ LYS A 130 -18.192 7.956 -3.736 1.00 4.08 N ATOM 0 H LYS A 130 -18.157 2.733 -3.858 1.00 2.34 H new ATOM 0 HA LYS A 130 -19.113 1.740 -1.346 1.00 2.75 H new ATOM 0 HB2 LYS A 130 -19.280 4.164 -0.795 1.00 2.64 H new ATOM 0 HB3 LYS A 130 -17.755 3.792 -1.573 1.00 2.64 H new ATOM 0 HG2 LYS A 130 -19.602 4.331 -3.693 1.00 1.90 H new ATOM 0 HG3 LYS A 130 -19.882 5.572 -2.488 1.00 1.90 H new ATOM 0 HD2 LYS A 130 -17.400 6.036 -2.419 1.00 2.31 H new ATOM 0 HD3 LYS A 130 -17.155 4.831 -3.668 1.00 2.31 H new ATOM 0 HE2 LYS A 130 -17.472 6.546 -5.156 1.00 2.66 H new ATOM 0 HE3 LYS A 130 -19.177 6.389 -4.784 1.00 2.66 H new ATOM 0 HZ1 LYS A 130 -18.825 8.582 -4.274 1.00 4.08 H new ATOM 0 HZ2 LYS A 130 -18.520 7.896 -2.751 1.00 4.08 H new ATOM 0 HZ3 LYS A 130 -17.226 8.340 -3.756 1.00 4.08 H new ATOM 2125 N CYS A 131 -21.476 3.649 -1.950 1.00 1.97 N ATOM 2126 CA CYS A 131 -22.955 3.779 -2.080 1.00 2.28 C ATOM 2127 C CYS A 131 -23.347 3.685 -3.556 1.00 2.68 C ATOM 2128 O CYS A 131 -24.500 3.832 -3.911 1.00 3.41 O ATOM 2129 CB CYS A 131 -23.397 5.133 -1.520 1.00 1.63 C ATOM 2130 SG CYS A 131 -22.261 5.644 -0.209 1.00 2.44 S ATOM 0 H CYS A 131 -20.996 4.477 -1.597 1.00 1.97 H new ATOM 0 HA CYS A 131 -23.442 2.978 -1.523 1.00 2.28 H new ATOM 0 HB2 CYS A 131 -23.412 5.879 -2.314 1.00 1.63 H new ATOM 0 HB3 CYS A 131 -24.412 5.063 -1.129 1.00 1.63 H new ATOM 2135 N SER A 132 -22.397 3.438 -4.417 1.00 2.50 N ATOM 2136 CA SER A 132 -22.714 3.331 -5.870 1.00 3.40 C ATOM 2137 C SER A 132 -22.920 1.862 -6.237 1.00 4.27 C ATOM 2138 O SER A 132 -23.258 1.045 -5.404 1.00 5.61 O ATOM 2139 CB SER A 132 -21.555 3.903 -6.686 1.00 3.17 C ATOM 2140 OG SER A 132 -22.048 4.382 -7.930 1.00 3.88 O ATOM 0 H SER A 132 -21.415 3.306 -4.177 1.00 2.50 H new ATOM 0 HA SER A 132 -23.623 3.891 -6.088 1.00 3.40 H new ATOM 0 HB2 SER A 132 -21.073 4.712 -6.137 1.00 3.17 H new ATOM 0 HB3 SER A 132 -20.799 3.136 -6.852 1.00 3.17 H new ATOM 0 HG SER A 132 -21.307 4.751 -8.455 1.00 3.88 H new ATOM 2146 N SER A 133 -22.719 1.517 -7.479 1.00 3.69 N ATOM 2147 CA SER A 133 -22.902 0.099 -7.896 1.00 4.52 C ATOM 2148 C SER A 133 -22.043 -0.185 -9.130 1.00 4.88 C ATOM 2149 O SER A 133 -21.618 0.768 -9.765 1.00 4.03 O ATOM 2150 CB SER A 133 -24.373 -0.148 -8.231 1.00 4.47 C ATOM 2151 OG SER A 133 -24.511 -1.436 -8.816 1.00 5.19 O ATOM 2152 OXT SER A 133 -21.824 -1.349 -9.420 1.00 6.13 O ATOM 0 H SER A 133 -22.436 2.156 -8.222 1.00 3.69 H new ATOM 0 HA SER A 133 -22.599 -0.561 -7.083 1.00 4.52 H new ATOM 0 HB2 SER A 133 -24.980 -0.079 -7.328 1.00 4.47 H new ATOM 0 HB3 SER A 133 -24.735 0.617 -8.918 1.00 4.47 H new ATOM 0 HG SER A 133 -23.636 -1.751 -9.124 1.00 5.19 H new TER 2158 SER A 133