USER MOD reduce.3.24.130724 H: found=0, std=0, add=1047, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1047 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 75 THR OG1 : rot 98:sc= -1.22! USER MOD Set 1.2: A 77 CYS SG : rot 46:sc= 1.46 USER MOD Set 2.1: A 58 ASN : amide:sc= -3.1! C(o=-3.4!,f=-10!) USER MOD Set 2.2: A 61 ASN : amide:sc= -0.334! K(o=-3.4!,f=-11) USER MOD Set 3.1: A 42 LYS NZ :NH3+ 168:sc= 1.19 (180deg=0) USER MOD Set 3.2: A 44 TYR OH : rot 30:sc= 1.04 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 75:sc= 1.25 USER MOD Single : A 34 GLN : amide:sc= -2.66! C(o=-2.7!,f=-4.8!) USER MOD Single : A 36 ASN : amide:sc= -0.303 K(o=-0.3,f=-0.99!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 143:sc= -0.908 (180deg=-2.85!) USER MOD Single : A 46 ASN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 88:sc= 1.21 USER MOD Single : A 53 GLN : amide:sc= -0.641 X(o=-0.64,f=-0.69) USER MOD Single : A 60 SER OG : rot 54:sc= 0.0664 USER MOD Single : A 64 TYR OH : rot 40:sc= 0.443 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -3.25! C(o=-3.2!,f=-9.9!) USER MOD Single : A 69 SER OG : rot 94:sc= 0.959 USER MOD Single : A 72 TYR OH : rot 30:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 86 THR OG1 : rot 70:sc= 0.901 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= -0.0983 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 11:sc= -1.69! USER MOD Single : A 100 TYR OH : rot 76:sc= -0.738! USER MOD Single : A 105 SER OG : rot 180:sc= -0.153 USER MOD Single : A 106 ASN :FLIP amide:sc= -0.285 F(o=-2!,f=-0.29) USER MOD Single : A 107 MET CE :methyl -170:sc= -0.843 (180deg=-0.957) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 73:sc= 1.08 USER MOD Single : A 124 LYS NZ :NH3+ -113:sc= -0.253 (180deg=-1.42) USER MOD Single : A 126 LYS NZ :NH3+ 156:sc= 0.219 (180deg=-0.798!) USER MOD Single : A 128 HIS : no HD1:sc= -0.237 X(o=-0.24,f=0) USER MOD Single : A 130 LYS NZ :NH3+ 158:sc= -0.0521 (180deg=-0.463) USER MOD Single : A 133 LYS NZ :NH3+ -111:sc= 0.0358 (180deg=-0.0471) USER MOD Single : A 134 MET CE :methyl -160:sc= -0.123 (180deg=-0.638) USER MOD Single : A 135 LYS NZ :NH3+ -152:sc= 0.908 (180deg=-1.16!) USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 GLN : amide:sc= -1.12 X(o=-1.1,f=-0.73) USER MOD Single : A 139 CYS SG : rot 69:sc= -0.985 USER MOD Single : A 140 ASN : amide:sc= -0.509 K(o=-0.51,f=-1.4) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 GLN : amide:sc=-0.000951 K(o=-0.00095,f=-0.94) USER MOD Single : A 146 LYS NZ :NH3+ -113:sc= -1.43 (180deg=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 19 -17.829 -14.659 5.902 1.00 0.78 N ATOM 28 CA PRO A 19 -17.431 -13.508 5.107 1.00 0.70 C ATOM 29 C PRO A 19 -18.650 -12.883 4.459 1.00 0.65 C ATOM 30 O PRO A 19 -19.503 -13.604 3.929 1.00 0.70 O ATOM 31 CB PRO A 19 -16.504 -14.072 4.026 1.00 0.71 C ATOM 32 CG PRO A 19 -16.453 -15.553 4.241 1.00 0.75 C ATOM 33 CD PRO A 19 -16.985 -15.827 5.621 1.00 0.84 C ATOM 0 HA PRO A 19 -16.945 -12.741 5.710 1.00 0.70 H new ATOM 0 HB2 PRO A 19 -16.881 -13.837 3.031 1.00 0.71 H new ATOM 0 HB3 PRO A 19 -15.509 -13.634 4.101 1.00 0.71 H new ATOM 0 HG2 PRO A 19 -17.050 -16.070 3.490 1.00 0.75 H new ATOM 0 HG3 PRO A 19 -15.431 -15.920 4.144 1.00 0.75 H new ATOM 0 HD2 PRO A 19 -17.558 -16.753 5.653 1.00 0.84 H new ATOM 0 HD3 PRO A 19 -16.180 -15.925 6.349 1.00 0.84 H new ATOM 41 N PRO A 20 -18.771 -11.552 4.515 1.00 0.58 N ATOM 42 CA PRO A 20 -19.901 -10.849 3.918 1.00 0.54 C ATOM 43 C PRO A 20 -20.127 -11.297 2.487 1.00 0.55 C ATOM 44 O PRO A 20 -19.202 -11.750 1.814 1.00 0.58 O ATOM 45 CB PRO A 20 -19.487 -9.387 3.977 1.00 0.49 C ATOM 46 CG PRO A 20 -18.544 -9.317 5.129 1.00 0.50 C ATOM 47 CD PRO A 20 -17.820 -10.631 5.159 1.00 0.56 C ATOM 0 HA PRO A 20 -20.840 -11.042 4.436 1.00 0.54 H new ATOM 0 HB2 PRO A 20 -19.007 -9.072 3.050 1.00 0.49 H new ATOM 0 HB3 PRO A 20 -20.348 -8.736 4.128 1.00 0.49 H new ATOM 0 HG2 PRO A 20 -17.844 -8.490 5.009 1.00 0.50 H new ATOM 0 HG3 PRO A 20 -19.081 -9.147 6.062 1.00 0.50 H new ATOM 0 HD2 PRO A 20 -16.876 -10.583 4.617 1.00 0.56 H new ATOM 0 HD3 PRO A 20 -17.587 -10.940 6.178 1.00 0.56 H new ATOM 55 N ALA A 21 -21.349 -11.196 2.029 1.00 0.56 N ATOM 56 CA ALA A 21 -21.711 -11.764 0.758 1.00 0.63 C ATOM 57 C ALA A 21 -21.054 -11.039 -0.405 1.00 0.60 C ATOM 58 O ALA A 21 -20.467 -9.973 -0.250 1.00 0.60 O ATOM 59 CB ALA A 21 -23.224 -11.767 0.601 1.00 0.72 C ATOM 0 H ALA A 21 -22.110 -10.725 2.519 1.00 0.56 H new ATOM 0 HA ALA A 21 -21.344 -12.790 0.740 1.00 0.63 H new ATOM 0 HB1 ALA A 21 -23.489 -12.199 -0.364 1.00 0.72 H new ATOM 0 HB2 ALA A 21 -23.671 -12.360 1.399 1.00 0.72 H new ATOM 0 HB3 ALA A 21 -23.598 -10.744 0.656 1.00 0.72 H new ATOM 65 N ASP A 22 -21.215 -11.655 -1.558 1.00 0.64 N ATOM 66 CA ASP A 22 -20.824 -11.143 -2.867 1.00 0.70 C ATOM 67 C ASP A 22 -21.081 -9.652 -2.990 1.00 0.67 C ATOM 68 O ASP A 22 -20.206 -8.878 -2.656 1.00 1.01 O ATOM 69 CB ASP A 22 -21.552 -11.908 -3.965 1.00 1.01 C ATOM 70 CG ASP A 22 -21.136 -13.364 -4.024 1.00 1.54 C ATOM 71 OD1 ASP A 22 -21.475 -14.130 -3.096 1.00 2.34 O ATOM 72 OD2 ASP A 22 -20.468 -13.754 -5.005 1.00 1.66 O ATOM 0 H ASP A 22 -21.646 -12.578 -1.616 1.00 0.64 H new ATOM 0 HA ASP A 22 -19.750 -11.294 -2.979 1.00 0.70 H new ATOM 0 HB2 ASP A 22 -22.627 -11.846 -3.796 1.00 1.01 H new ATOM 0 HB3 ASP A 22 -21.353 -11.436 -4.927 1.00 1.01 H new ATOM 77 N GLY A 23 -22.180 -9.273 -3.639 1.00 0.72 N ATOM 78 CA GLY A 23 -22.582 -7.864 -3.757 1.00 0.69 C ATOM 79 C GLY A 23 -22.007 -6.910 -2.696 1.00 0.61 C ATOM 80 O GLY A 23 -21.592 -5.811 -3.040 1.00 0.60 O ATOM 0 H GLY A 23 -22.816 -9.925 -4.097 1.00 0.72 H new ATOM 0 HA2 GLY A 23 -22.285 -7.503 -4.742 1.00 0.69 H new ATOM 0 HA3 GLY A 23 -23.670 -7.812 -3.713 1.00 0.69 H new ATOM 84 N ALA A 24 -21.969 -7.320 -1.422 1.00 0.59 N ATOM 85 CA ALA A 24 -21.364 -6.496 -0.364 1.00 0.55 C ATOM 86 C ALA A 24 -19.834 -6.463 -0.491 1.00 0.48 C ATOM 87 O ALA A 24 -19.220 -5.399 -0.445 1.00 0.44 O ATOM 88 CB ALA A 24 -21.767 -7.012 1.015 1.00 0.56 C ATOM 0 H ALA A 24 -22.347 -8.211 -1.099 1.00 0.59 H new ATOM 0 HA ALA A 24 -21.737 -5.479 -0.482 1.00 0.55 H new ATOM 0 HB1 ALA A 24 -21.310 -6.390 1.784 1.00 0.56 H new ATOM 0 HB2 ALA A 24 -22.852 -6.974 1.115 1.00 0.56 H new ATOM 0 HB3 ALA A 24 -21.428 -8.041 1.132 1.00 0.56 H new ATOM 94 N LEU A 25 -19.228 -7.633 -0.649 1.00 0.49 N ATOM 95 CA LEU A 25 -17.784 -7.752 -0.844 1.00 0.48 C ATOM 96 C LEU A 25 -17.337 -7.073 -2.129 1.00 0.51 C ATOM 97 O LEU A 25 -16.322 -6.378 -2.158 1.00 0.53 O ATOM 98 CB LEU A 25 -17.360 -9.227 -0.870 1.00 0.47 C ATOM 99 CG LEU A 25 -17.388 -9.933 0.480 1.00 0.48 C ATOM 100 CD1 LEU A 25 -16.338 -11.026 0.534 1.00 0.53 C ATOM 101 CD2 LEU A 25 -17.181 -8.936 1.598 1.00 0.49 C ATOM 0 H LEU A 25 -19.720 -8.526 -0.646 1.00 0.49 H new ATOM 0 HA LEU A 25 -17.302 -7.252 -0.003 1.00 0.48 H new ATOM 0 HB2 LEU A 25 -18.014 -9.764 -1.557 1.00 0.47 H new ATOM 0 HB3 LEU A 25 -16.350 -9.291 -1.275 1.00 0.47 H new ATOM 0 HG LEU A 25 -18.366 -10.397 0.608 1.00 0.48 H new ATOM 0 HD11 LEU A 25 -16.374 -11.518 1.506 1.00 0.53 H new ATOM 0 HD12 LEU A 25 -16.533 -11.757 -0.250 1.00 0.53 H new ATOM 0 HD13 LEU A 25 -15.350 -10.589 0.385 1.00 0.53 H new ATOM 0 HD21 LEU A 25 -17.203 -9.454 2.557 1.00 0.49 H new ATOM 0 HD22 LEU A 25 -16.216 -8.445 1.473 1.00 0.49 H new ATOM 0 HD23 LEU A 25 -17.974 -8.189 1.571 1.00 0.49 H new ATOM 113 N LYS A 26 -18.097 -7.265 -3.194 1.00 0.55 N ATOM 114 CA LYS A 26 -17.792 -6.622 -4.459 1.00 0.59 C ATOM 115 C LYS A 26 -18.073 -5.130 -4.338 1.00 0.52 C ATOM 116 O LYS A 26 -17.577 -4.330 -5.119 1.00 0.53 O ATOM 117 CB LYS A 26 -18.624 -7.221 -5.595 1.00 0.68 C ATOM 118 CG LYS A 26 -19.891 -6.438 -5.871 1.00 0.73 C ATOM 119 CD LYS A 26 -20.907 -7.259 -6.647 1.00 0.82 C ATOM 120 CE LYS A 26 -22.136 -6.431 -6.982 1.00 0.93 C ATOM 121 NZ LYS A 26 -23.209 -7.245 -7.609 1.00 1.53 N ATOM 0 H LYS A 26 -18.926 -7.859 -3.207 1.00 0.55 H new ATOM 0 HA LYS A 26 -16.740 -6.785 -4.693 1.00 0.59 H new ATOM 0 HB2 LYS A 26 -18.020 -7.257 -6.502 1.00 0.68 H new ATOM 0 HB3 LYS A 26 -18.885 -8.249 -5.345 1.00 0.68 H new ATOM 0 HG2 LYS A 26 -20.330 -6.114 -4.927 1.00 0.73 H new ATOM 0 HG3 LYS A 26 -19.646 -5.537 -6.434 1.00 0.73 H new ATOM 0 HD2 LYS A 26 -20.454 -7.631 -7.566 1.00 0.82 H new ATOM 0 HD3 LYS A 26 -21.200 -8.130 -6.061 1.00 0.82 H new ATOM 0 HE2 LYS A 26 -22.519 -5.968 -6.072 1.00 0.93 H new ATOM 0 HE3 LYS A 26 -21.854 -5.623 -7.657 1.00 0.93 H new ATOM 0 HZ1 LYS A 26 -24.027 -6.638 -7.820 1.00 1.53 H new ATOM 0 HZ2 LYS A 26 -22.854 -7.667 -8.491 1.00 1.53 H new ATOM 0 HZ3 LYS A 26 -23.498 -8.001 -6.956 1.00 1.53 H new ATOM 135 N ARG A 27 -18.890 -4.769 -3.352 1.00 0.49 N ATOM 136 CA ARG A 27 -19.162 -3.373 -3.065 1.00 0.45 C ATOM 137 C ARG A 27 -17.989 -2.778 -2.295 1.00 0.39 C ATOM 138 O ARG A 27 -17.710 -1.590 -2.401 1.00 0.37 O ATOM 139 CB ARG A 27 -20.472 -3.214 -2.283 1.00 0.49 C ATOM 140 CG ARG A 27 -20.750 -1.801 -1.789 1.00 0.45 C ATOM 141 CD ARG A 27 -20.808 -0.787 -2.918 1.00 0.51 C ATOM 142 NE ARG A 27 -21.978 -0.957 -3.773 1.00 1.11 N ATOM 143 CZ ARG A 27 -22.226 -0.201 -4.843 1.00 1.29 C ATOM 144 NH1 ARG A 27 -21.382 0.767 -5.186 1.00 1.01 N ATOM 145 NH2 ARG A 27 -23.320 -0.407 -5.563 1.00 2.11 N ATOM 0 H ARG A 27 -19.373 -5.428 -2.741 1.00 0.49 H new ATOM 0 HA ARG A 27 -19.281 -2.834 -4.005 1.00 0.45 H new ATOM 0 HB2 ARG A 27 -21.299 -3.532 -2.918 1.00 0.49 H new ATOM 0 HB3 ARG A 27 -20.452 -3.887 -1.426 1.00 0.49 H new ATOM 0 HG2 ARG A 27 -21.695 -1.789 -1.247 1.00 0.45 H new ATOM 0 HG3 ARG A 27 -19.974 -1.508 -1.082 1.00 0.45 H new ATOM 0 HD2 ARG A 27 -20.815 0.218 -2.497 1.00 0.51 H new ATOM 0 HD3 ARG A 27 -19.906 -0.873 -3.524 1.00 0.51 H new ATOM 0 HE ARG A 27 -22.643 -1.695 -3.539 1.00 1.11 H new ATOM 0 HH11 ARG A 27 -20.543 0.933 -4.630 1.00 1.01 H new ATOM 0 HH12 ARG A 27 -21.574 1.344 -6.005 1.00 1.01 H new ATOM 0 HH21 ARG A 27 -23.973 -1.144 -5.299 1.00 2.11 H new ATOM 0 HH22 ARG A 27 -23.509 0.172 -6.381 1.00 2.11 H new ATOM 159 N ALA A 28 -17.299 -3.612 -1.524 1.00 0.39 N ATOM 160 CA ALA A 28 -16.041 -3.206 -0.918 1.00 0.37 C ATOM 161 C ALA A 28 -15.056 -2.890 -2.038 1.00 0.37 C ATOM 162 O ALA A 28 -14.377 -1.863 -2.030 1.00 0.36 O ATOM 163 CB ALA A 28 -15.506 -4.299 0.009 1.00 0.42 C ATOM 0 H ALA A 28 -17.589 -4.566 -1.307 1.00 0.39 H new ATOM 0 HA ALA A 28 -16.188 -2.319 -0.303 1.00 0.37 H new ATOM 0 HB1 ALA A 28 -14.564 -3.973 0.451 1.00 0.42 H new ATOM 0 HB2 ALA A 28 -16.230 -4.492 0.800 1.00 0.42 H new ATOM 0 HB3 ALA A 28 -15.341 -5.212 -0.563 1.00 0.42 H new ATOM 169 N GLU A 29 -15.023 -3.783 -3.019 1.00 0.43 N ATOM 170 CA GLU A 29 -14.304 -3.553 -4.269 1.00 0.47 C ATOM 171 C GLU A 29 -14.840 -2.329 -5.014 1.00 0.45 C ATOM 172 O GLU A 29 -14.089 -1.613 -5.681 1.00 0.48 O ATOM 173 CB GLU A 29 -14.431 -4.787 -5.151 1.00 0.55 C ATOM 174 CG GLU A 29 -13.323 -5.802 -4.919 1.00 0.84 C ATOM 175 CD GLU A 29 -11.948 -5.264 -5.256 1.00 1.52 C ATOM 176 OE1 GLU A 29 -11.576 -5.262 -6.451 1.00 1.83 O ATOM 177 OE2 GLU A 29 -11.225 -4.863 -4.322 1.00 2.41 O ATOM 0 H GLU A 29 -15.493 -4.687 -2.972 1.00 0.43 H new ATOM 0 HA GLU A 29 -13.257 -3.363 -4.031 1.00 0.47 H new ATOM 0 HB2 GLU A 29 -15.395 -5.261 -4.966 1.00 0.55 H new ATOM 0 HB3 GLU A 29 -14.422 -4.481 -6.197 1.00 0.55 H new ATOM 0 HG2 GLU A 29 -13.338 -6.116 -3.875 1.00 0.84 H new ATOM 0 HG3 GLU A 29 -13.518 -6.689 -5.522 1.00 0.84 H new ATOM 184 N GLU A 30 -16.135 -2.094 -4.898 1.00 0.43 N ATOM 185 CA GLU A 30 -16.771 -0.968 -5.553 1.00 0.44 C ATOM 186 C GLU A 30 -16.310 0.325 -4.933 1.00 0.41 C ATOM 187 O GLU A 30 -15.943 1.251 -5.633 1.00 0.48 O ATOM 188 CB GLU A 30 -18.281 -1.046 -5.434 1.00 0.47 C ATOM 189 CG GLU A 30 -18.983 -1.474 -6.699 1.00 0.64 C ATOM 190 CD GLU A 30 -18.408 -0.826 -7.943 1.00 1.23 C ATOM 191 OE1 GLU A 30 -18.748 0.343 -8.212 1.00 1.52 O ATOM 192 OE2 GLU A 30 -17.632 -1.489 -8.666 1.00 1.72 O ATOM 0 H GLU A 30 -16.770 -2.675 -4.351 1.00 0.43 H new ATOM 0 HA GLU A 30 -16.491 -1.002 -6.606 1.00 0.44 H new ATOM 0 HB2 GLU A 30 -18.535 -1.745 -4.637 1.00 0.47 H new ATOM 0 HB3 GLU A 30 -18.661 -0.069 -5.134 1.00 0.47 H new ATOM 0 HG2 GLU A 30 -18.916 -2.558 -6.796 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -20.042 -1.225 -6.623 1.00 0.64 H new ATOM 199 N LEU A 31 -16.343 0.378 -3.616 1.00 0.36 N ATOM 200 CA LEU A 31 -15.909 1.555 -2.888 1.00 0.36 C ATOM 201 C LEU A 31 -14.432 1.800 -3.127 1.00 0.37 C ATOM 202 O LEU A 31 -13.982 2.937 -3.144 1.00 0.41 O ATOM 203 CB LEU A 31 -16.193 1.382 -1.404 1.00 0.35 C ATOM 204 CG LEU A 31 -17.664 1.157 -1.063 1.00 0.37 C ATOM 205 CD1 LEU A 31 -17.819 0.822 0.402 1.00 0.37 C ATOM 206 CD2 LEU A 31 -18.498 2.376 -1.404 1.00 0.42 C ATOM 0 H LEU A 31 -16.668 -0.386 -3.024 1.00 0.36 H new ATOM 0 HA LEU A 31 -16.463 2.422 -3.247 1.00 0.36 H new ATOM 0 HB2 LEU A 31 -15.614 0.537 -1.032 1.00 0.35 H new ATOM 0 HB3 LEU A 31 -15.842 2.267 -0.874 1.00 0.35 H new ATOM 0 HG LEU A 31 -18.021 0.319 -1.662 1.00 0.37 H new ATOM 0 HD11 LEU A 31 -18.873 0.664 0.630 1.00 0.37 H new ATOM 0 HD12 LEU A 31 -17.259 -0.085 0.629 1.00 0.37 H new ATOM 0 HD13 LEU A 31 -17.437 1.645 1.006 1.00 0.37 H new ATOM 0 HD21 LEU A 31 -19.541 2.186 -1.150 1.00 0.42 H new ATOM 0 HD22 LEU A 31 -18.137 3.234 -0.837 1.00 0.42 H new ATOM 0 HD23 LEU A 31 -18.417 2.586 -2.471 1.00 0.42 H new ATOM 218 N LYS A 32 -13.690 0.721 -3.325 1.00 0.37 N ATOM 219 CA LYS A 32 -12.291 0.811 -3.707 1.00 0.41 C ATOM 220 C LYS A 32 -12.181 1.506 -5.063 1.00 0.43 C ATOM 221 O LYS A 32 -11.286 2.315 -5.301 1.00 0.47 O ATOM 222 CB LYS A 32 -11.689 -0.592 -3.785 1.00 0.44 C ATOM 223 CG LYS A 32 -10.174 -0.607 -3.752 1.00 0.76 C ATOM 224 CD LYS A 32 -9.619 -1.993 -4.035 1.00 0.70 C ATOM 225 CE LYS A 32 -9.506 -2.254 -5.524 1.00 0.67 C ATOM 226 NZ LYS A 32 -8.610 -3.402 -5.806 1.00 1.15 N ATOM 0 H LYS A 32 -14.037 -0.233 -3.226 1.00 0.37 H new ATOM 0 HA LYS A 32 -11.743 1.389 -2.963 1.00 0.41 H new ATOM 0 HB2 LYS A 32 -12.068 -1.187 -2.954 1.00 0.44 H new ATOM 0 HB3 LYS A 32 -12.029 -1.073 -4.702 1.00 0.44 H new ATOM 0 HG2 LYS A 32 -9.787 0.097 -4.489 1.00 0.76 H new ATOM 0 HG3 LYS A 32 -9.828 -0.269 -2.775 1.00 0.76 H new ATOM 0 HD2 LYS A 32 -8.638 -2.095 -3.571 1.00 0.70 H new ATOM 0 HD3 LYS A 32 -10.265 -2.744 -3.581 1.00 0.70 H new ATOM 0 HE2 LYS A 32 -10.495 -2.453 -5.936 1.00 0.67 H new ATOM 0 HE3 LYS A 32 -9.126 -1.363 -6.023 1.00 0.67 H new ATOM 0 HZ1 LYS A 32 -8.554 -3.555 -6.833 1.00 1.15 H new ATOM 0 HZ2 LYS A 32 -7.660 -3.201 -5.434 1.00 1.15 H new ATOM 0 HZ3 LYS A 32 -8.987 -4.257 -5.349 1.00 1.15 H new ATOM 240 N THR A 33 -13.128 1.196 -5.934 1.00 0.43 N ATOM 241 CA THR A 33 -13.180 1.768 -7.268 1.00 0.47 C ATOM 242 C THR A 33 -13.701 3.210 -7.222 1.00 0.47 C ATOM 243 O THR A 33 -13.188 4.090 -7.915 1.00 0.52 O ATOM 244 CB THR A 33 -14.076 0.903 -8.176 1.00 0.49 C ATOM 245 OG1 THR A 33 -13.629 -0.462 -8.131 1.00 0.50 O ATOM 246 CG2 THR A 33 -14.049 1.399 -9.612 1.00 0.57 C ATOM 0 H THR A 33 -13.883 0.540 -5.735 1.00 0.43 H new ATOM 0 HA THR A 33 -12.170 1.785 -7.678 1.00 0.47 H new ATOM 0 HB THR A 33 -15.101 0.973 -7.811 1.00 0.49 H new ATOM 0 HG1 THR A 33 -13.894 -0.865 -7.278 1.00 0.50 H new ATOM 0 HG21 THR A 33 -14.691 0.768 -10.227 1.00 0.57 H new ATOM 0 HG22 THR A 33 -14.409 2.427 -9.649 1.00 0.57 H new ATOM 0 HG23 THR A 33 -13.028 1.358 -9.992 1.00 0.57 H new ATOM 254 N GLN A 34 -14.729 3.440 -6.407 1.00 0.44 N ATOM 255 CA GLN A 34 -15.237 4.786 -6.159 1.00 0.46 C ATOM 256 C GLN A 34 -14.157 5.667 -5.550 1.00 0.46 C ATOM 257 O GLN A 34 -14.002 6.825 -5.924 1.00 0.51 O ATOM 258 CB GLN A 34 -16.454 4.739 -5.231 1.00 0.48 C ATOM 259 CG GLN A 34 -17.602 3.948 -5.814 1.00 0.50 C ATOM 260 CD GLN A 34 -18.891 4.095 -5.034 1.00 0.75 C ATOM 261 OE1 GLN A 34 -19.199 3.282 -4.170 1.00 1.50 O ATOM 262 NE2 GLN A 34 -19.642 5.146 -5.317 1.00 1.31 N ATOM 0 H GLN A 34 -15.228 2.706 -5.905 1.00 0.44 H new ATOM 0 HA GLN A 34 -15.538 5.213 -7.116 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -16.162 4.299 -4.278 1.00 0.48 H new ATOM 0 HB3 GLN A 34 -16.787 5.756 -5.024 1.00 0.48 H new ATOM 0 HG2 GLN A 34 -17.770 4.269 -6.842 1.00 0.50 H new ATOM 0 HG3 GLN A 34 -17.326 2.894 -5.850 1.00 0.50 H new ATOM 0 HE21 GLN A 34 -19.351 5.800 -6.044 1.00 1.31 H new ATOM 0 HE22 GLN A 34 -20.512 5.303 -4.809 1.00 1.31 H new ATOM 271 N ALA A 35 -13.406 5.112 -4.622 1.00 0.43 N ATOM 272 CA ALA A 35 -12.321 5.840 -3.996 1.00 0.44 C ATOM 273 C ALA A 35 -11.179 6.059 -4.979 1.00 0.48 C ATOM 274 O ALA A 35 -10.421 7.008 -4.846 1.00 0.50 O ATOM 275 CB ALA A 35 -11.844 5.103 -2.768 1.00 0.42 C ATOM 0 H ALA A 35 -13.527 4.157 -4.284 1.00 0.43 H new ATOM 0 HA ALA A 35 -12.688 6.820 -3.690 1.00 0.44 H new ATOM 0 HB1 ALA A 35 -11.028 5.658 -2.304 1.00 0.42 H new ATOM 0 HB2 ALA A 35 -12.666 5.007 -2.059 1.00 0.42 H new ATOM 0 HB3 ALA A 35 -11.492 4.111 -3.053 1.00 0.42 H new ATOM 281 N ASN A 36 -11.069 5.172 -5.963 1.00 0.53 N ATOM 282 CA ASN A 36 -10.133 5.356 -7.069 1.00 0.61 C ATOM 283 C ASN A 36 -10.593 6.549 -7.910 1.00 0.63 C ATOM 284 O ASN A 36 -9.785 7.316 -8.433 1.00 0.67 O ATOM 285 CB ASN A 36 -10.068 4.071 -7.916 1.00 0.69 C ATOM 286 CG ASN A 36 -8.981 4.076 -8.984 1.00 1.28 C ATOM 287 OD1 ASN A 36 -8.640 5.108 -9.556 1.00 1.88 O ATOM 288 ND2 ASN A 36 -8.433 2.905 -9.268 1.00 2.01 N ATOM 0 H ASN A 36 -11.619 4.315 -6.018 1.00 0.53 H new ATOM 0 HA ASN A 36 -9.132 5.557 -6.688 1.00 0.61 H new ATOM 0 HB2 ASN A 36 -9.905 3.221 -7.253 1.00 0.69 H new ATOM 0 HB3 ASN A 36 -11.034 3.919 -8.398 1.00 0.69 H new ATOM 0 HD21 ASN A 36 -7.705 2.842 -9.980 1.00 2.01 H new ATOM 0 HD22 ASN A 36 -8.738 2.066 -8.775 1.00 2.01 H new ATOM 295 N ASP A 37 -11.909 6.714 -7.992 1.00 0.63 N ATOM 296 CA ASP A 37 -12.513 7.844 -8.692 1.00 0.68 C ATOM 297 C ASP A 37 -12.207 9.134 -7.948 1.00 0.65 C ATOM 298 O ASP A 37 -11.828 10.131 -8.550 1.00 0.68 O ATOM 299 CB ASP A 37 -14.028 7.644 -8.810 1.00 0.73 C ATOM 300 CG ASP A 37 -14.724 8.784 -9.528 1.00 0.90 C ATOM 301 OD1 ASP A 37 -14.739 8.785 -10.775 1.00 1.05 O ATOM 302 OD2 ASP A 37 -15.289 9.665 -8.847 1.00 1.04 O ATOM 0 H ASP A 37 -12.585 6.072 -7.578 1.00 0.63 H new ATOM 0 HA ASP A 37 -12.093 7.907 -9.696 1.00 0.68 H new ATOM 0 HB2 ASP A 37 -14.225 6.713 -9.342 1.00 0.73 H new ATOM 0 HB3 ASP A 37 -14.453 7.537 -7.812 1.00 0.73 H new ATOM 307 N TYR A 38 -12.353 9.097 -6.631 1.00 0.60 N ATOM 308 CA TYR A 38 -12.004 10.235 -5.791 1.00 0.58 C ATOM 309 C TYR A 38 -10.496 10.470 -5.802 1.00 0.57 C ATOM 310 O TYR A 38 -10.031 11.610 -5.782 1.00 0.57 O ATOM 311 CB TYR A 38 -12.511 10.020 -4.364 1.00 0.54 C ATOM 312 CG TYR A 38 -13.998 10.258 -4.222 1.00 0.56 C ATOM 313 CD1 TYR A 38 -14.919 9.252 -4.494 1.00 0.63 C ATOM 314 CD2 TYR A 38 -14.481 11.499 -3.831 1.00 0.59 C ATOM 315 CE1 TYR A 38 -16.275 9.479 -4.381 1.00 0.67 C ATOM 316 CE2 TYR A 38 -15.836 11.731 -3.712 1.00 0.63 C ATOM 317 CZ TYR A 38 -16.729 10.719 -3.989 1.00 0.65 C ATOM 318 OH TYR A 38 -18.080 10.948 -3.875 1.00 0.71 O ATOM 0 H TYR A 38 -12.711 8.290 -6.120 1.00 0.60 H new ATOM 0 HA TYR A 38 -12.487 11.124 -6.195 1.00 0.58 H new ATOM 0 HB2 TYR A 38 -12.280 9.001 -4.052 1.00 0.54 H new ATOM 0 HB3 TYR A 38 -11.976 10.689 -3.690 1.00 0.54 H new ATOM 0 HD1 TYR A 38 -14.567 8.277 -4.799 1.00 0.63 H new ATOM 0 HD2 TYR A 38 -13.785 12.296 -3.616 1.00 0.59 H new ATOM 0 HE1 TYR A 38 -16.977 8.688 -4.599 1.00 0.67 H new ATOM 0 HE2 TYR A 38 -16.195 12.702 -3.403 1.00 0.63 H new ATOM 0 HH TYR A 38 -18.232 11.873 -3.588 1.00 0.71 H new ATOM 328 N PHE A 39 -9.742 9.378 -5.852 1.00 0.57 N ATOM 329 CA PHE A 39 -8.296 9.422 -5.951 1.00 0.57 C ATOM 330 C PHE A 39 -7.869 10.249 -7.160 1.00 0.63 C ATOM 331 O PHE A 39 -7.063 11.172 -7.041 1.00 0.67 O ATOM 332 CB PHE A 39 -7.766 7.988 -6.062 1.00 0.58 C ATOM 333 CG PHE A 39 -6.276 7.880 -6.090 1.00 0.58 C ATOM 334 CD1 PHE A 39 -5.589 7.934 -7.287 1.00 0.70 C ATOM 335 CD2 PHE A 39 -5.562 7.717 -4.916 1.00 0.55 C ATOM 336 CE1 PHE A 39 -4.217 7.834 -7.316 1.00 0.73 C ATOM 337 CE2 PHE A 39 -4.190 7.617 -4.940 1.00 0.59 C ATOM 338 CZ PHE A 39 -3.514 7.676 -6.140 1.00 0.65 C ATOM 0 H PHE A 39 -10.124 8.433 -5.824 1.00 0.57 H new ATOM 0 HA PHE A 39 -7.881 9.895 -5.061 1.00 0.57 H new ATOM 0 HB2 PHE A 39 -8.144 7.408 -5.220 1.00 0.58 H new ATOM 0 HB3 PHE A 39 -8.168 7.534 -6.968 1.00 0.58 H new ATOM 0 HD1 PHE A 39 -6.135 8.056 -8.211 1.00 0.70 H new ATOM 0 HD2 PHE A 39 -6.086 7.668 -3.973 1.00 0.55 H new ATOM 0 HE1 PHE A 39 -3.691 7.879 -8.258 1.00 0.73 H new ATOM 0 HE2 PHE A 39 -3.642 7.492 -4.018 1.00 0.59 H new ATOM 0 HZ PHE A 39 -2.437 7.599 -6.159 1.00 0.65 H new ATOM 348 N LYS A 40 -8.429 9.928 -8.320 1.00 0.66 N ATOM 349 CA LYS A 40 -8.119 10.658 -9.542 1.00 0.74 C ATOM 350 C LYS A 40 -8.843 12.001 -9.574 1.00 0.73 C ATOM 351 O LYS A 40 -8.446 12.910 -10.304 1.00 0.79 O ATOM 352 CB LYS A 40 -8.474 9.824 -10.777 1.00 0.82 C ATOM 353 CG LYS A 40 -9.933 9.404 -10.844 1.00 1.18 C ATOM 354 CD LYS A 40 -10.191 8.383 -11.944 1.00 1.09 C ATOM 355 CE LYS A 40 -10.293 9.018 -13.329 1.00 1.56 C ATOM 356 NZ LYS A 40 -8.997 9.565 -13.813 1.00 2.26 N ATOM 0 H LYS A 40 -9.099 9.168 -8.440 1.00 0.66 H new ATOM 0 HA LYS A 40 -7.046 10.851 -9.556 1.00 0.74 H new ATOM 0 HB2 LYS A 40 -8.231 10.397 -11.671 1.00 0.82 H new ATOM 0 HB3 LYS A 40 -7.849 8.931 -10.791 1.00 0.82 H new ATOM 0 HG2 LYS A 40 -10.232 8.984 -9.884 1.00 1.18 H new ATOM 0 HG3 LYS A 40 -10.554 10.283 -11.014 1.00 1.18 H new ATOM 0 HD2 LYS A 40 -9.388 7.646 -11.945 1.00 1.09 H new ATOM 0 HD3 LYS A 40 -11.115 7.847 -11.726 1.00 1.09 H new ATOM 0 HE2 LYS A 40 -10.655 8.274 -14.038 1.00 1.56 H new ATOM 0 HE3 LYS A 40 -11.032 9.819 -13.302 1.00 1.56 H new ATOM 0 HZ1 LYS A 40 -8.913 9.404 -14.837 1.00 2.26 H new ATOM 0 HZ2 LYS A 40 -8.957 10.586 -13.618 1.00 2.26 H new ATOM 0 HZ3 LYS A 40 -8.214 9.088 -13.322 1.00 2.26 H new ATOM 370 N ALA A 41 -9.900 12.123 -8.778 1.00 0.68 N ATOM 371 CA ALA A 41 -10.626 13.382 -8.658 1.00 0.70 C ATOM 372 C ALA A 41 -9.900 14.324 -7.708 1.00 0.71 C ATOM 373 O ALA A 41 -10.339 15.454 -7.484 1.00 0.78 O ATOM 374 CB ALA A 41 -12.048 13.147 -8.177 1.00 0.68 C ATOM 0 H ALA A 41 -10.273 11.365 -8.206 1.00 0.68 H new ATOM 0 HA ALA A 41 -10.671 13.841 -9.646 1.00 0.70 H new ATOM 0 HB1 ALA A 41 -12.567 14.102 -8.096 1.00 0.68 H new ATOM 0 HB2 ALA A 41 -12.572 12.508 -8.888 1.00 0.68 H new ATOM 0 HB3 ALA A 41 -12.027 12.662 -7.201 1.00 0.68 H new ATOM 380 N LYS A 42 -8.810 13.818 -7.126 1.00 0.68 N ATOM 381 CA LYS A 42 -7.914 14.600 -6.272 1.00 0.70 C ATOM 382 C LYS A 42 -8.498 14.815 -4.884 1.00 0.66 C ATOM 383 O LYS A 42 -8.090 15.724 -4.158 1.00 0.70 O ATOM 384 CB LYS A 42 -7.546 15.937 -6.925 1.00 0.82 C ATOM 385 CG LYS A 42 -6.478 15.805 -7.995 1.00 0.96 C ATOM 386 CD LYS A 42 -5.193 15.252 -7.404 1.00 1.41 C ATOM 387 CE LYS A 42 -4.113 15.079 -8.457 1.00 1.57 C ATOM 388 NZ LYS A 42 -2.853 14.558 -7.867 1.00 2.30 N ATOM 0 H LYS A 42 -8.522 12.846 -7.236 1.00 0.68 H new ATOM 0 HA LYS A 42 -6.999 14.019 -6.155 1.00 0.70 H new ATOM 0 HB2 LYS A 42 -8.440 16.377 -7.366 1.00 0.82 H new ATOM 0 HB3 LYS A 42 -7.197 16.626 -6.156 1.00 0.82 H new ATOM 0 HG2 LYS A 42 -6.831 15.148 -8.790 1.00 0.96 H new ATOM 0 HG3 LYS A 42 -6.287 16.778 -8.448 1.00 0.96 H new ATOM 0 HD2 LYS A 42 -4.834 15.923 -6.623 1.00 1.41 H new ATOM 0 HD3 LYS A 42 -5.395 14.291 -6.930 1.00 1.41 H new ATOM 0 HE2 LYS A 42 -4.464 14.395 -9.230 1.00 1.57 H new ATOM 0 HE3 LYS A 42 -3.920 16.036 -8.942 1.00 1.57 H new ATOM 0 HZ1 LYS A 42 -2.210 14.261 -8.628 1.00 2.30 H new ATOM 0 HZ2 LYS A 42 -2.399 15.304 -7.302 1.00 2.30 H new ATOM 0 HZ3 LYS A 42 -3.066 13.743 -7.257 1.00 2.30 H new ATOM 402 N ASP A 43 -9.426 13.954 -4.506 1.00 0.61 N ATOM 403 CA ASP A 43 -9.965 13.963 -3.159 1.00 0.58 C ATOM 404 C ASP A 43 -9.554 12.679 -2.454 1.00 0.52 C ATOM 405 O ASP A 43 -10.338 11.734 -2.342 1.00 0.54 O ATOM 406 CB ASP A 43 -11.487 14.083 -3.168 1.00 0.61 C ATOM 407 CG ASP A 43 -12.041 14.542 -1.831 1.00 0.61 C ATOM 408 OD1 ASP A 43 -11.613 14.013 -0.782 1.00 0.60 O ATOM 409 OD2 ASP A 43 -12.919 15.429 -1.822 1.00 0.73 O ATOM 0 H ASP A 43 -9.822 13.238 -5.115 1.00 0.61 H new ATOM 0 HA ASP A 43 -9.566 14.829 -2.630 1.00 0.58 H new ATOM 0 HB2 ASP A 43 -11.788 14.787 -3.944 1.00 0.61 H new ATOM 0 HB3 ASP A 43 -11.923 13.118 -3.427 1.00 0.61 H new ATOM 414 N TYR A 44 -8.306 12.637 -2.010 1.00 0.48 N ATOM 415 CA TYR A 44 -7.757 11.450 -1.377 1.00 0.45 C ATOM 416 C TYR A 44 -8.373 11.233 -0.005 1.00 0.44 C ATOM 417 O TYR A 44 -8.305 10.141 0.546 1.00 0.43 O ATOM 418 CB TYR A 44 -6.236 11.569 -1.280 1.00 0.45 C ATOM 419 CG TYR A 44 -5.580 11.805 -2.625 1.00 0.48 C ATOM 420 CD1 TYR A 44 -5.292 10.742 -3.467 1.00 0.49 C ATOM 421 CD2 TYR A 44 -5.270 13.089 -3.061 1.00 0.57 C ATOM 422 CE1 TYR A 44 -4.710 10.949 -4.705 1.00 0.57 C ATOM 423 CE2 TYR A 44 -4.686 13.301 -4.298 1.00 0.65 C ATOM 424 CZ TYR A 44 -4.409 12.226 -5.116 1.00 0.64 C ATOM 425 OH TYR A 44 -3.836 12.430 -6.352 1.00 0.75 O ATOM 0 H TYR A 44 -7.652 13.417 -2.078 1.00 0.48 H new ATOM 0 HA TYR A 44 -8.001 10.582 -1.990 1.00 0.45 H new ATOM 0 HB2 TYR A 44 -5.982 12.389 -0.608 1.00 0.45 H new ATOM 0 HB3 TYR A 44 -5.832 10.658 -0.838 1.00 0.45 H new ATOM 0 HD1 TYR A 44 -5.526 9.736 -3.151 1.00 0.49 H new ATOM 0 HD2 TYR A 44 -5.488 13.934 -2.424 1.00 0.57 H new ATOM 0 HE1 TYR A 44 -4.492 10.109 -5.348 1.00 0.57 H new ATOM 0 HE2 TYR A 44 -4.448 14.304 -4.621 1.00 0.65 H new ATOM 0 HH TYR A 44 -4.130 11.728 -6.969 1.00 0.75 H new ATOM 435 N GLU A 45 -9.000 12.273 0.520 1.00 0.48 N ATOM 436 CA GLU A 45 -9.622 12.208 1.831 1.00 0.50 C ATOM 437 C GLU A 45 -10.918 11.462 1.777 1.00 0.46 C ATOM 438 O GLU A 45 -11.177 10.593 2.609 1.00 0.43 O ATOM 439 CB GLU A 45 -9.861 13.598 2.364 1.00 0.61 C ATOM 440 CG GLU A 45 -8.572 14.316 2.551 1.00 0.76 C ATOM 441 CD GLU A 45 -8.735 15.709 3.110 1.00 0.87 C ATOM 442 OE1 GLU A 45 -8.801 15.856 4.350 1.00 1.47 O ATOM 443 OE2 GLU A 45 -8.808 16.662 2.312 1.00 1.17 O ATOM 0 H GLU A 45 -9.091 13.176 0.055 1.00 0.48 H new ATOM 0 HA GLU A 45 -8.943 11.675 2.497 1.00 0.50 H new ATOM 0 HB2 GLU A 45 -10.496 14.154 1.674 1.00 0.61 H new ATOM 0 HB3 GLU A 45 -10.394 13.543 3.313 1.00 0.61 H new ATOM 0 HG2 GLU A 45 -7.936 13.736 3.220 1.00 0.76 H new ATOM 0 HG3 GLU A 45 -8.056 14.376 1.593 1.00 0.76 H new ATOM 450 N ASN A 46 -11.744 11.790 0.806 1.00 0.48 N ATOM 451 CA ASN A 46 -12.977 11.076 0.674 1.00 0.48 C ATOM 452 C ASN A 46 -12.680 9.650 0.246 1.00 0.43 C ATOM 453 O ASN A 46 -13.395 8.718 0.604 1.00 0.43 O ATOM 454 CB ASN A 46 -13.949 11.749 -0.298 1.00 0.53 C ATOM 455 CG ASN A 46 -14.792 12.823 0.365 1.00 0.60 C ATOM 456 OD1 ASN A 46 -14.359 14.066 0.266 1.00 0.66 O flip ATOM 457 ND2 ASN A 46 -15.838 12.533 0.946 1.00 0.63 N flip ATOM 0 H ASN A 46 -11.584 12.526 0.119 1.00 0.48 H new ATOM 0 HA ASN A 46 -13.474 11.077 1.644 1.00 0.48 H new ATOM 0 HB2 ASN A 46 -13.386 12.191 -1.120 1.00 0.53 H new ATOM 0 HB3 ASN A 46 -14.605 10.994 -0.730 1.00 0.53 H new ATOM 0 HD21 ASN A 46 -16.138 11.560 1.001 1.00 0.63 H new ATOM 0 HD22 ASN A 46 -16.404 13.266 1.373 1.00 0.63 H new ATOM 464 N ALA A 47 -11.594 9.493 -0.504 1.00 0.41 N ATOM 465 CA ALA A 47 -11.087 8.177 -0.850 1.00 0.38 C ATOM 466 C ALA A 47 -10.755 7.398 0.420 1.00 0.34 C ATOM 467 O ALA A 47 -11.146 6.241 0.564 1.00 0.32 O ATOM 468 CB ALA A 47 -9.865 8.305 -1.748 1.00 0.40 C ATOM 0 H ALA A 47 -11.049 10.267 -0.884 1.00 0.41 H new ATOM 0 HA ALA A 47 -11.853 7.629 -1.398 1.00 0.38 H new ATOM 0 HB1 ALA A 47 -9.494 7.312 -2.001 1.00 0.40 H new ATOM 0 HB2 ALA A 47 -10.138 8.834 -2.661 1.00 0.40 H new ATOM 0 HB3 ALA A 47 -9.087 8.861 -1.226 1.00 0.40 H new ATOM 474 N ILE A 48 -10.052 8.058 1.347 1.00 0.34 N ATOM 475 CA ILE A 48 -9.758 7.494 2.669 1.00 0.32 C ATOM 476 C ILE A 48 -11.027 6.938 3.312 1.00 0.29 C ATOM 477 O ILE A 48 -11.028 5.841 3.876 1.00 0.28 O ATOM 478 CB ILE A 48 -9.129 8.568 3.601 1.00 0.35 C ATOM 479 CG1 ILE A 48 -7.710 8.906 3.148 1.00 0.37 C ATOM 480 CG2 ILE A 48 -9.120 8.124 5.057 1.00 0.39 C ATOM 481 CD1 ILE A 48 -7.066 10.031 3.933 1.00 0.42 C ATOM 0 H ILE A 48 -9.672 8.994 1.203 1.00 0.34 H new ATOM 0 HA ILE A 48 -9.043 6.683 2.533 1.00 0.32 H new ATOM 0 HB ILE A 48 -9.751 9.460 3.530 1.00 0.35 H new ATOM 0 HG12 ILE A 48 -7.089 8.014 3.235 1.00 0.37 H new ATOM 0 HG13 ILE A 48 -7.731 9.178 2.093 1.00 0.37 H new ATOM 0 HG21 ILE A 48 -8.672 8.904 5.673 1.00 0.39 H new ATOM 0 HG22 ILE A 48 -10.142 7.943 5.388 1.00 0.39 H new ATOM 0 HG23 ILE A 48 -8.539 7.207 5.154 1.00 0.39 H new ATOM 0 HD11 ILE A 48 -6.061 10.212 3.552 1.00 0.42 H new ATOM 0 HD12 ILE A 48 -7.663 10.937 3.826 1.00 0.42 H new ATOM 0 HD13 ILE A 48 -7.011 9.755 4.986 1.00 0.42 H new ATOM 493 N LYS A 49 -12.107 7.699 3.204 1.00 0.31 N ATOM 494 CA LYS A 49 -13.402 7.287 3.725 1.00 0.32 C ATOM 495 C LYS A 49 -13.938 6.055 2.993 1.00 0.27 C ATOM 496 O LYS A 49 -14.279 5.058 3.623 1.00 0.27 O ATOM 497 CB LYS A 49 -14.405 8.433 3.609 1.00 0.39 C ATOM 498 CG LYS A 49 -15.846 7.970 3.688 1.00 0.44 C ATOM 499 CD LYS A 49 -16.808 9.077 3.319 1.00 0.63 C ATOM 500 CE LYS A 49 -18.167 8.510 2.964 1.00 1.02 C ATOM 501 NZ LYS A 49 -19.146 9.578 2.640 1.00 1.50 N ATOM 0 H LYS A 49 -12.110 8.615 2.755 1.00 0.31 H new ATOM 0 HA LYS A 49 -13.267 7.025 4.774 1.00 0.32 H new ATOM 0 HB2 LYS A 49 -14.217 9.155 4.404 1.00 0.39 H new ATOM 0 HB3 LYS A 49 -14.247 8.952 2.664 1.00 0.39 H new ATOM 0 HG2 LYS A 49 -15.993 7.122 3.020 1.00 0.44 H new ATOM 0 HG3 LYS A 49 -16.062 7.621 4.698 1.00 0.44 H new ATOM 0 HD2 LYS A 49 -16.905 9.773 4.152 1.00 0.63 H new ATOM 0 HD3 LYS A 49 -16.413 9.643 2.475 1.00 0.63 H new ATOM 0 HE2 LYS A 49 -18.068 7.838 2.112 1.00 1.02 H new ATOM 0 HE3 LYS A 49 -18.541 7.915 3.797 1.00 1.02 H new ATOM 0 HZ1 LYS A 49 -20.063 9.148 2.403 1.00 1.50 H new ATOM 0 HZ2 LYS A 49 -19.260 10.205 3.462 1.00 1.50 H new ATOM 0 HZ3 LYS A 49 -18.802 10.130 1.828 1.00 1.50 H new ATOM 515 N PHE A 50 -14.011 6.129 1.667 1.00 0.27 N ATOM 516 CA PHE A 50 -14.557 5.031 0.869 1.00 0.27 C ATOM 517 C PHE A 50 -13.749 3.755 1.060 1.00 0.23 C ATOM 518 O PHE A 50 -14.299 2.656 1.033 1.00 0.25 O ATOM 519 CB PHE A 50 -14.625 5.415 -0.610 1.00 0.35 C ATOM 520 CG PHE A 50 -15.792 6.303 -0.946 1.00 0.43 C ATOM 521 CD1 PHE A 50 -15.714 7.673 -0.770 1.00 0.71 C ATOM 522 CD2 PHE A 50 -16.967 5.763 -1.440 1.00 0.56 C ATOM 523 CE1 PHE A 50 -16.784 8.490 -1.076 1.00 0.81 C ATOM 524 CE2 PHE A 50 -18.043 6.575 -1.749 1.00 0.65 C ATOM 525 CZ PHE A 50 -17.950 7.940 -1.567 1.00 0.66 C ATOM 0 H PHE A 50 -13.701 6.934 1.122 1.00 0.27 H new ATOM 0 HA PHE A 50 -15.571 4.838 1.218 1.00 0.27 H new ATOM 0 HB2 PHE A 50 -13.701 5.922 -0.889 1.00 0.35 H new ATOM 0 HB3 PHE A 50 -14.684 4.507 -1.211 1.00 0.35 H new ATOM 0 HD1 PHE A 50 -14.803 8.110 -0.388 1.00 0.71 H new ATOM 0 HD2 PHE A 50 -17.044 4.696 -1.586 1.00 0.56 H new ATOM 0 HE1 PHE A 50 -16.708 9.558 -0.931 1.00 0.81 H new ATOM 0 HE2 PHE A 50 -18.955 6.142 -2.132 1.00 0.65 H new ATOM 0 HZ PHE A 50 -18.789 8.576 -1.809 1.00 0.66 H new ATOM 535 N TYR A 51 -12.453 3.907 1.285 1.00 0.23 N ATOM 536 CA TYR A 51 -11.602 2.760 1.588 1.00 0.25 C ATOM 537 C TYR A 51 -11.990 2.171 2.937 1.00 0.21 C ATOM 538 O TYR A 51 -12.085 0.954 3.097 1.00 0.23 O ATOM 539 CB TYR A 51 -10.118 3.145 1.600 1.00 0.31 C ATOM 540 CG TYR A 51 -9.546 3.473 0.237 1.00 0.43 C ATOM 541 CD1 TYR A 51 -9.857 2.700 -0.874 1.00 0.53 C ATOM 542 CD2 TYR A 51 -8.692 4.555 0.065 1.00 0.51 C ATOM 543 CE1 TYR A 51 -9.334 2.997 -2.119 1.00 0.67 C ATOM 544 CE2 TYR A 51 -8.166 4.859 -1.176 1.00 0.65 C ATOM 545 CZ TYR A 51 -8.490 4.078 -2.264 1.00 0.72 C ATOM 546 OH TYR A 51 -7.969 4.381 -3.499 1.00 0.88 O ATOM 0 H TYR A 51 -11.968 4.804 1.265 1.00 0.23 H new ATOM 0 HA TYR A 51 -11.751 2.018 0.804 1.00 0.25 H new ATOM 0 HB2 TYR A 51 -9.984 4.007 2.254 1.00 0.31 H new ATOM 0 HB3 TYR A 51 -9.546 2.324 2.033 1.00 0.31 H new ATOM 0 HD1 TYR A 51 -10.518 1.853 -0.764 1.00 0.53 H new ATOM 0 HD2 TYR A 51 -8.435 5.169 0.916 1.00 0.51 H new ATOM 0 HE1 TYR A 51 -9.585 2.386 -2.973 1.00 0.67 H new ATOM 0 HE2 TYR A 51 -7.504 5.705 -1.293 1.00 0.65 H new ATOM 0 HH TYR A 51 -7.395 5.172 -3.427 1.00 0.88 H new ATOM 556 N SER A 52 -12.247 3.050 3.898 1.00 0.20 N ATOM 557 CA SER A 52 -12.661 2.628 5.226 1.00 0.22 C ATOM 558 C SER A 52 -14.003 1.918 5.141 1.00 0.22 C ATOM 559 O SER A 52 -14.235 0.919 5.815 1.00 0.23 O ATOM 560 CB SER A 52 -12.751 3.832 6.164 1.00 0.25 C ATOM 561 OG SER A 52 -11.529 4.551 6.192 1.00 0.56 O ATOM 0 H SER A 52 -12.175 4.061 3.780 1.00 0.20 H new ATOM 0 HA SER A 52 -11.919 1.938 5.628 1.00 0.22 H new ATOM 0 HB2 SER A 52 -13.556 4.491 5.839 1.00 0.25 H new ATOM 0 HB3 SER A 52 -13.001 3.495 7.170 1.00 0.25 H new ATOM 0 HG SER A 52 -11.523 5.215 5.471 1.00 0.56 H new ATOM 567 N GLN A 53 -14.866 2.424 4.269 1.00 0.24 N ATOM 568 CA GLN A 53 -16.182 1.842 4.053 1.00 0.27 C ATOM 569 C GLN A 53 -16.074 0.428 3.482 1.00 0.26 C ATOM 570 O GLN A 53 -16.920 -0.423 3.747 1.00 0.30 O ATOM 571 CB GLN A 53 -17.001 2.728 3.125 1.00 0.31 C ATOM 572 CG GLN A 53 -17.377 4.067 3.736 1.00 0.37 C ATOM 573 CD GLN A 53 -18.412 4.816 2.920 1.00 0.49 C ATOM 574 OE1 GLN A 53 -19.210 5.574 3.465 1.00 1.12 O ATOM 575 NE2 GLN A 53 -18.411 4.613 1.612 1.00 0.94 N ATOM 0 H GLN A 53 -14.674 3.245 3.695 1.00 0.24 H new ATOM 0 HA GLN A 53 -16.687 1.776 5.017 1.00 0.27 H new ATOM 0 HB2 GLN A 53 -16.435 2.902 2.210 1.00 0.31 H new ATOM 0 HB3 GLN A 53 -17.911 2.199 2.841 1.00 0.31 H new ATOM 0 HG2 GLN A 53 -17.762 3.906 4.743 1.00 0.37 H new ATOM 0 HG3 GLN A 53 -16.482 4.682 3.831 1.00 0.37 H new ATOM 0 HE21 GLN A 53 -17.732 3.976 1.195 1.00 0.94 H new ATOM 0 HE22 GLN A 53 -19.089 5.094 1.021 1.00 0.94 H new ATOM 584 N ALA A 54 -15.029 0.177 2.708 1.00 0.23 N ATOM 585 CA ALA A 54 -14.766 -1.163 2.195 1.00 0.24 C ATOM 586 C ALA A 54 -14.387 -2.092 3.344 1.00 0.23 C ATOM 587 O ALA A 54 -14.659 -3.293 3.313 1.00 0.25 O ATOM 588 CB ALA A 54 -13.664 -1.119 1.151 1.00 0.25 C ATOM 0 H ALA A 54 -14.349 0.881 2.421 1.00 0.23 H new ATOM 0 HA ALA A 54 -15.669 -1.548 1.720 1.00 0.24 H new ATOM 0 HB1 ALA A 54 -13.477 -2.125 0.776 1.00 0.25 H new ATOM 0 HB2 ALA A 54 -13.970 -0.475 0.326 1.00 0.25 H new ATOM 0 HB3 ALA A 54 -12.753 -0.724 1.600 1.00 0.25 H new ATOM 594 N ILE A 55 -13.776 -1.506 4.368 1.00 0.22 N ATOM 595 CA ILE A 55 -13.398 -2.226 5.585 1.00 0.22 C ATOM 596 C ILE A 55 -14.593 -2.308 6.538 1.00 0.24 C ATOM 597 O ILE A 55 -14.547 -2.958 7.585 1.00 0.27 O ATOM 598 CB ILE A 55 -12.222 -1.516 6.286 1.00 0.23 C ATOM 599 CG1 ILE A 55 -11.133 -1.194 5.267 1.00 0.24 C ATOM 600 CG2 ILE A 55 -11.656 -2.381 7.405 1.00 0.27 C ATOM 601 CD1 ILE A 55 -10.155 -0.159 5.750 1.00 0.28 C ATOM 0 H ILE A 55 -13.527 -0.517 4.380 1.00 0.22 H new ATOM 0 HA ILE A 55 -13.088 -3.234 5.309 1.00 0.22 H new ATOM 0 HB ILE A 55 -12.588 -0.589 6.726 1.00 0.23 H new ATOM 0 HG12 ILE A 55 -10.593 -2.108 5.022 1.00 0.24 H new ATOM 0 HG13 ILE A 55 -11.599 -0.842 4.346 1.00 0.24 H new ATOM 0 HG21 ILE A 55 -10.828 -1.859 7.885 1.00 0.27 H new ATOM 0 HG22 ILE A 55 -12.435 -2.579 8.141 1.00 0.27 H new ATOM 0 HG23 ILE A 55 -11.300 -3.324 6.991 1.00 0.27 H new ATOM 0 HD11 ILE A 55 -9.407 0.023 4.978 1.00 0.28 H new ATOM 0 HD12 ILE A 55 -10.685 0.768 5.968 1.00 0.28 H new ATOM 0 HD13 ILE A 55 -9.663 -0.517 6.654 1.00 0.28 H new ATOM 613 N GLU A 56 -15.658 -1.619 6.177 1.00 0.27 N ATOM 614 CA GLU A 56 -16.919 -1.736 6.886 1.00 0.31 C ATOM 615 C GLU A 56 -17.731 -2.870 6.275 1.00 0.31 C ATOM 616 O GLU A 56 -18.580 -3.482 6.928 1.00 0.34 O ATOM 617 CB GLU A 56 -17.690 -0.422 6.784 1.00 0.34 C ATOM 618 CG GLU A 56 -16.863 0.784 7.179 1.00 0.36 C ATOM 619 CD GLU A 56 -16.797 0.983 8.674 1.00 0.45 C ATOM 620 OE1 GLU A 56 -15.883 0.423 9.316 1.00 0.81 O ATOM 621 OE2 GLU A 56 -17.665 1.697 9.219 1.00 0.78 O ATOM 0 H GLU A 56 -15.675 -0.968 5.392 1.00 0.27 H new ATOM 0 HA GLU A 56 -16.733 -1.952 7.938 1.00 0.31 H new ATOM 0 HB2 GLU A 56 -18.043 -0.293 5.761 1.00 0.34 H new ATOM 0 HB3 GLU A 56 -18.572 -0.475 7.422 1.00 0.34 H new ATOM 0 HG2 GLU A 56 -15.852 0.670 6.787 1.00 0.36 H new ATOM 0 HG3 GLU A 56 -17.285 1.676 6.716 1.00 0.36 H new ATOM 628 N LEU A 57 -17.456 -3.140 5.008 1.00 0.31 N ATOM 629 CA LEU A 57 -18.124 -4.204 4.283 1.00 0.33 C ATOM 630 C LEU A 57 -17.421 -5.526 4.524 1.00 0.33 C ATOM 631 O LEU A 57 -18.039 -6.470 4.999 1.00 0.40 O ATOM 632 CB LEU A 57 -18.170 -3.872 2.802 1.00 0.34 C ATOM 633 CG LEU A 57 -18.804 -2.518 2.501 1.00 0.35 C ATOM 634 CD1 LEU A 57 -18.780 -2.237 1.023 1.00 0.37 C ATOM 635 CD2 LEU A 57 -20.224 -2.463 3.029 1.00 0.40 C ATOM 0 H LEU A 57 -16.766 -2.629 4.457 1.00 0.31 H new ATOM 0 HA LEU A 57 -19.148 -4.296 4.646 1.00 0.33 H new ATOM 0 HB2 LEU A 57 -17.156 -3.886 2.403 1.00 0.34 H new ATOM 0 HB3 LEU A 57 -18.728 -4.650 2.281 1.00 0.34 H new ATOM 0 HG LEU A 57 -18.220 -1.749 3.006 1.00 0.35 H new ATOM 0 HD11 LEU A 57 -19.237 -1.266 0.830 1.00 0.37 H new ATOM 0 HD12 LEU A 57 -17.748 -2.229 0.671 1.00 0.37 H new ATOM 0 HD13 LEU A 57 -19.337 -3.012 0.496 1.00 0.37 H new ATOM 0 HD21 LEU A 57 -20.658 -1.489 2.804 1.00 0.40 H new ATOM 0 HD22 LEU A 57 -20.819 -3.244 2.555 1.00 0.40 H new ATOM 0 HD23 LEU A 57 -20.217 -2.617 4.108 1.00 0.40 H new ATOM 647 N ASN A 58 -16.131 -5.595 4.230 1.00 0.29 N ATOM 648 CA ASN A 58 -15.360 -6.759 4.625 1.00 0.30 C ATOM 649 C ASN A 58 -14.397 -6.289 5.702 1.00 0.30 C ATOM 650 O ASN A 58 -14.258 -5.092 5.900 1.00 0.34 O ATOM 651 CB ASN A 58 -14.599 -7.304 3.399 1.00 0.35 C ATOM 652 CG ASN A 58 -14.364 -8.806 3.443 1.00 0.59 C ATOM 653 OD1 ASN A 58 -15.166 -9.561 3.988 1.00 1.53 O ATOM 654 ND2 ASN A 58 -13.261 -9.257 2.869 1.00 0.57 N ATOM 0 H ASN A 58 -15.608 -4.876 3.731 1.00 0.29 H new ATOM 0 HA ASN A 58 -15.991 -7.562 5.005 1.00 0.30 H new ATOM 0 HB2 ASN A 58 -15.159 -7.059 2.497 1.00 0.35 H new ATOM 0 HB3 ASN A 58 -13.637 -6.797 3.325 1.00 0.35 H new ATOM 0 HD21 ASN A 58 -13.057 -10.256 2.871 1.00 0.57 H new ATOM 0 HD22 ASN A 58 -12.614 -8.605 2.424 1.00 0.57 H new ATOM 661 N PRO A 59 -13.704 -7.182 6.398 1.00 0.31 N ATOM 662 CA PRO A 59 -12.691 -6.779 7.356 1.00 0.35 C ATOM 663 C PRO A 59 -11.239 -6.995 6.911 1.00 0.35 C ATOM 664 O PRO A 59 -10.583 -6.076 6.416 1.00 0.35 O ATOM 665 CB PRO A 59 -13.057 -7.662 8.541 1.00 0.41 C ATOM 666 CG PRO A 59 -13.616 -8.927 7.939 1.00 0.41 C ATOM 667 CD PRO A 59 -14.001 -8.607 6.507 1.00 0.34 C ATOM 0 HA PRO A 59 -12.700 -5.705 7.541 1.00 0.35 H new ATOM 0 HB2 PRO A 59 -12.184 -7.873 9.158 1.00 0.41 H new ATOM 0 HB3 PRO A 59 -13.791 -7.174 9.183 1.00 0.41 H new ATOM 0 HG2 PRO A 59 -12.877 -9.727 7.969 1.00 0.41 H new ATOM 0 HG3 PRO A 59 -14.483 -9.272 8.503 1.00 0.41 H new ATOM 0 HD2 PRO A 59 -13.425 -9.195 5.793 1.00 0.34 H new ATOM 0 HD3 PRO A 59 -15.054 -8.816 6.316 1.00 0.34 H new ATOM 675 N SER A 60 -10.754 -8.220 7.077 1.00 0.44 N ATOM 676 CA SER A 60 -9.346 -8.528 6.933 1.00 0.49 C ATOM 677 C SER A 60 -8.911 -8.622 5.476 1.00 0.49 C ATOM 678 O SER A 60 -8.722 -9.714 4.938 1.00 0.68 O ATOM 679 CB SER A 60 -9.045 -9.832 7.671 1.00 0.63 C ATOM 680 OG SER A 60 -10.016 -10.820 7.360 1.00 1.52 O ATOM 0 H SER A 60 -11.332 -9.026 7.316 1.00 0.44 H new ATOM 0 HA SER A 60 -8.775 -7.709 7.369 1.00 0.49 H new ATOM 0 HB2 SER A 60 -8.053 -10.191 7.396 1.00 0.63 H new ATOM 0 HB3 SER A 60 -9.033 -9.653 8.746 1.00 0.63 H new ATOM 0 HG SER A 60 -10.075 -10.926 6.388 1.00 1.52 H new ATOM 686 N ASN A 61 -8.798 -7.476 4.831 1.00 0.43 N ATOM 687 CA ASN A 61 -8.194 -7.397 3.512 1.00 0.45 C ATOM 688 C ASN A 61 -7.070 -6.381 3.516 1.00 0.38 C ATOM 689 O ASN A 61 -7.306 -5.165 3.610 1.00 0.34 O ATOM 690 CB ASN A 61 -9.217 -7.030 2.431 1.00 0.48 C ATOM 691 CG ASN A 61 -10.054 -8.204 1.941 1.00 0.79 C ATOM 692 OD1 ASN A 61 -11.222 -8.033 1.600 1.00 1.76 O ATOM 693 ND2 ASN A 61 -9.465 -9.389 1.861 1.00 1.07 N ATOM 0 H ASN A 61 -9.118 -6.581 5.201 1.00 0.43 H new ATOM 0 HA ASN A 61 -7.800 -8.385 3.275 1.00 0.45 H new ATOM 0 HB2 ASN A 61 -9.883 -6.261 2.823 1.00 0.48 H new ATOM 0 HB3 ASN A 61 -8.691 -6.593 1.582 1.00 0.48 H new ATOM 0 HD21 ASN A 61 -9.983 -10.193 1.508 1.00 1.07 H new ATOM 0 HD22 ASN A 61 -8.493 -9.496 2.153 1.00 1.07 H new ATOM 700 N ALA A 62 -5.844 -6.881 3.410 1.00 0.42 N ATOM 701 CA ALA A 62 -4.669 -6.025 3.351 1.00 0.42 C ATOM 702 C ALA A 62 -4.786 -5.047 2.194 1.00 0.37 C ATOM 703 O ALA A 62 -4.186 -3.977 2.211 1.00 0.38 O ATOM 704 CB ALA A 62 -3.414 -6.861 3.204 1.00 0.52 C ATOM 0 H ALA A 62 -5.639 -7.879 3.363 1.00 0.42 H new ATOM 0 HA ALA A 62 -4.605 -5.460 4.281 1.00 0.42 H new ATOM 0 HB1 ALA A 62 -2.544 -6.206 3.161 1.00 0.52 H new ATOM 0 HB2 ALA A 62 -3.322 -7.532 4.058 1.00 0.52 H new ATOM 0 HB3 ALA A 62 -3.473 -7.447 2.287 1.00 0.52 H new ATOM 710 N ILE A 63 -5.564 -5.444 1.190 1.00 0.36 N ATOM 711 CA ILE A 63 -5.875 -4.596 0.046 1.00 0.35 C ATOM 712 C ILE A 63 -6.373 -3.225 0.494 1.00 0.31 C ATOM 713 O ILE A 63 -5.772 -2.209 0.174 1.00 0.34 O ATOM 714 CB ILE A 63 -6.959 -5.244 -0.846 1.00 0.43 C ATOM 715 CG1 ILE A 63 -6.473 -6.585 -1.399 1.00 0.57 C ATOM 716 CG2 ILE A 63 -7.356 -4.306 -1.978 1.00 0.49 C ATOM 717 CD1 ILE A 63 -5.371 -6.462 -2.425 1.00 0.74 C ATOM 0 H ILE A 63 -5.997 -6.367 1.148 1.00 0.36 H new ATOM 0 HA ILE A 63 -4.952 -4.480 -0.522 1.00 0.35 H new ATOM 0 HB ILE A 63 -7.841 -5.428 -0.232 1.00 0.43 H new ATOM 0 HG12 ILE A 63 -6.119 -7.201 -0.572 1.00 0.57 H new ATOM 0 HG13 ILE A 63 -7.317 -7.109 -1.848 1.00 0.57 H new ATOM 0 HG21 ILE A 63 -8.120 -4.781 -2.594 1.00 0.49 H new ATOM 0 HG22 ILE A 63 -7.751 -3.379 -1.561 1.00 0.49 H new ATOM 0 HG23 ILE A 63 -6.482 -4.085 -2.591 1.00 0.49 H new ATOM 0 HD11 ILE A 63 -5.081 -7.455 -2.769 1.00 0.74 H new ATOM 0 HD12 ILE A 63 -5.726 -5.874 -3.272 1.00 0.74 H new ATOM 0 HD13 ILE A 63 -4.509 -5.968 -1.976 1.00 0.74 H new ATOM 729 N TYR A 64 -7.451 -3.212 1.271 1.00 0.29 N ATOM 730 CA TYR A 64 -8.121 -1.964 1.621 1.00 0.28 C ATOM 731 C TYR A 64 -7.318 -1.175 2.641 1.00 0.30 C ATOM 732 O TYR A 64 -7.366 0.057 2.665 1.00 0.34 O ATOM 733 CB TYR A 64 -9.528 -2.241 2.140 1.00 0.26 C ATOM 734 CG TYR A 64 -10.369 -2.992 1.142 1.00 0.26 C ATOM 735 CD1 TYR A 64 -10.547 -2.506 -0.143 1.00 0.28 C ATOM 736 CD2 TYR A 64 -10.953 -4.203 1.471 1.00 0.38 C ATOM 737 CE1 TYR A 64 -11.287 -3.202 -1.073 1.00 0.30 C ATOM 738 CE2 TYR A 64 -11.688 -4.914 0.546 1.00 0.43 C ATOM 739 CZ TYR A 64 -11.854 -4.407 -0.729 1.00 0.35 C ATOM 740 OH TYR A 64 -12.575 -5.114 -1.662 1.00 0.42 O ATOM 0 H TYR A 64 -7.878 -4.048 1.669 1.00 0.29 H new ATOM 0 HA TYR A 64 -8.197 -1.358 0.718 1.00 0.28 H new ATOM 0 HB2 TYR A 64 -9.465 -2.816 3.064 1.00 0.26 H new ATOM 0 HB3 TYR A 64 -10.015 -1.297 2.384 1.00 0.26 H new ATOM 0 HD1 TYR A 64 -10.097 -1.564 -0.421 1.00 0.28 H new ATOM 0 HD2 TYR A 64 -10.831 -4.598 2.469 1.00 0.38 H new ATOM 0 HE1 TYR A 64 -11.421 -2.803 -2.068 1.00 0.30 H new ATOM 0 HE2 TYR A 64 -12.131 -5.861 0.816 1.00 0.43 H new ATOM 0 HH TYR A 64 -12.133 -5.050 -2.534 1.00 0.42 H new ATOM 750 N TYR A 65 -6.580 -1.883 3.479 1.00 0.30 N ATOM 751 CA TYR A 65 -5.667 -1.224 4.400 1.00 0.32 C ATOM 752 C TYR A 65 -4.520 -0.585 3.622 1.00 0.33 C ATOM 753 O TYR A 65 -4.134 0.551 3.887 1.00 0.37 O ATOM 754 CB TYR A 65 -5.158 -2.207 5.452 1.00 0.34 C ATOM 755 CG TYR A 65 -6.142 -2.408 6.583 1.00 0.36 C ATOM 756 CD1 TYR A 65 -7.381 -2.998 6.364 1.00 0.37 C ATOM 757 CD2 TYR A 65 -5.831 -1.998 7.872 1.00 0.51 C ATOM 758 CE1 TYR A 65 -8.279 -3.171 7.397 1.00 0.40 C ATOM 759 CE2 TYR A 65 -6.725 -2.170 8.909 1.00 0.58 C ATOM 760 CZ TYR A 65 -7.946 -2.757 8.666 1.00 0.47 C ATOM 761 OH TYR A 65 -8.841 -2.924 9.696 1.00 0.55 O ATOM 0 H TYR A 65 -6.593 -2.901 3.542 1.00 0.30 H new ATOM 0 HA TYR A 65 -6.200 -0.434 4.929 1.00 0.32 H new ATOM 0 HB2 TYR A 65 -4.953 -3.167 4.978 1.00 0.34 H new ATOM 0 HB3 TYR A 65 -4.214 -1.844 5.857 1.00 0.34 H new ATOM 0 HD1 TYR A 65 -7.645 -3.326 5.370 1.00 0.37 H new ATOM 0 HD2 TYR A 65 -4.874 -1.537 8.067 1.00 0.51 H new ATOM 0 HE1 TYR A 65 -9.239 -3.629 7.210 1.00 0.40 H new ATOM 0 HE2 TYR A 65 -6.468 -1.846 9.907 1.00 0.58 H new ATOM 0 HH TYR A 65 -8.451 -2.580 10.527 1.00 0.55 H new ATOM 771 N GLY A 66 -4.014 -1.304 2.626 1.00 0.35 N ATOM 772 CA GLY A 66 -3.013 -0.744 1.737 1.00 0.41 C ATOM 773 C GLY A 66 -3.565 0.423 0.943 1.00 0.43 C ATOM 774 O GLY A 66 -2.883 1.425 0.740 1.00 0.51 O ATOM 0 H GLY A 66 -4.280 -2.267 2.418 1.00 0.35 H new ATOM 0 HA2 GLY A 66 -2.152 -0.415 2.319 1.00 0.41 H new ATOM 0 HA3 GLY A 66 -2.660 -1.516 1.053 1.00 0.41 H new ATOM 778 N ASN A 67 -4.815 0.284 0.506 1.00 0.44 N ATOM 779 CA ASN A 67 -5.526 1.355 -0.187 1.00 0.57 C ATOM 780 C ASN A 67 -5.516 2.632 0.636 1.00 0.41 C ATOM 781 O ASN A 67 -5.177 3.703 0.136 1.00 0.38 O ATOM 782 CB ASN A 67 -6.984 0.968 -0.454 1.00 0.84 C ATOM 783 CG ASN A 67 -7.160 -0.132 -1.484 1.00 1.28 C ATOM 784 OD1 ASN A 67 -8.088 -0.929 -1.390 1.00 2.28 O ATOM 785 ND2 ASN A 67 -6.291 -0.177 -2.477 1.00 1.35 N ATOM 0 H ASN A 67 -5.361 -0.570 0.622 1.00 0.44 H new ATOM 0 HA ASN A 67 -5.011 1.519 -1.134 1.00 0.57 H new ATOM 0 HB2 ASN A 67 -7.440 0.649 0.483 1.00 0.84 H new ATOM 0 HB3 ASN A 67 -7.527 1.852 -0.788 1.00 0.84 H new ATOM 0 HD21 ASN A 67 -6.379 -0.892 -3.199 1.00 1.35 H new ATOM 0 HD22 ASN A 67 -5.532 0.503 -2.522 1.00 1.35 H new ATOM 792 N ARG A 68 -5.895 2.516 1.901 1.00 0.39 N ATOM 793 CA ARG A 68 -5.990 3.679 2.764 1.00 0.39 C ATOM 794 C ARG A 68 -4.606 4.144 3.195 1.00 0.31 C ATOM 795 O ARG A 68 -4.381 5.338 3.372 1.00 0.32 O ATOM 796 CB ARG A 68 -6.868 3.386 3.976 1.00 0.53 C ATOM 797 CG ARG A 68 -7.269 4.638 4.739 1.00 0.80 C ATOM 798 CD ARG A 68 -8.405 4.367 5.710 1.00 0.48 C ATOM 799 NE ARG A 68 -7.952 4.217 7.095 1.00 0.94 N ATOM 800 CZ ARG A 68 -7.364 3.126 7.589 1.00 1.16 C ATOM 801 NH1 ARG A 68 -7.119 2.078 6.814 1.00 1.42 N ATOM 802 NH2 ARG A 68 -7.023 3.081 8.869 1.00 1.87 N ATOM 0 H ARG A 68 -6.140 1.633 2.348 1.00 0.39 H new ATOM 0 HA ARG A 68 -6.457 4.485 2.198 1.00 0.39 H new ATOM 0 HB2 ARG A 68 -7.767 2.864 3.648 1.00 0.53 H new ATOM 0 HB3 ARG A 68 -6.336 2.713 4.648 1.00 0.53 H new ATOM 0 HG2 ARG A 68 -6.408 5.022 5.285 1.00 0.80 H new ATOM 0 HG3 ARG A 68 -7.571 5.413 4.034 1.00 0.80 H new ATOM 0 HD2 ARG A 68 -9.125 5.184 5.656 1.00 0.48 H new ATOM 0 HD3 ARG A 68 -8.928 3.461 5.405 1.00 0.48 H new ATOM 0 HE ARG A 68 -8.097 5.004 7.728 1.00 0.94 H new ATOM 0 HH11 ARG A 68 -7.381 2.100 5.828 1.00 1.42 H new ATOM 0 HH12 ARG A 68 -6.669 1.250 7.204 1.00 1.42 H new ATOM 0 HH21 ARG A 68 -7.210 3.880 9.475 1.00 1.87 H new ATOM 0 HH22 ARG A 68 -6.573 2.248 9.248 1.00 1.87 H new ATOM 816 N SER A 69 -3.683 3.203 3.358 1.00 0.31 N ATOM 817 CA SER A 69 -2.288 3.537 3.605 1.00 0.32 C ATOM 818 C SER A 69 -1.764 4.404 2.461 1.00 0.27 C ATOM 819 O SER A 69 -1.146 5.438 2.686 1.00 0.27 O ATOM 820 CB SER A 69 -1.449 2.259 3.741 1.00 0.43 C ATOM 821 OG SER A 69 -0.082 2.556 3.966 1.00 1.16 O ATOM 0 H SER A 69 -3.877 2.202 3.323 1.00 0.31 H new ATOM 0 HA SER A 69 -2.211 4.094 4.539 1.00 0.32 H new ATOM 0 HB2 SER A 69 -1.832 1.657 4.565 1.00 0.43 H new ATOM 0 HB3 SER A 69 -1.548 1.660 2.836 1.00 0.43 H new ATOM 0 HG SER A 69 0.096 2.567 4.930 1.00 1.16 H new ATOM 827 N LEU A 70 -2.056 3.980 1.236 1.00 0.28 N ATOM 828 CA LEU A 70 -1.695 4.714 0.032 1.00 0.31 C ATOM 829 C LEU A 70 -2.413 6.068 -0.006 1.00 0.31 C ATOM 830 O LEU A 70 -1.863 7.061 -0.481 1.00 0.38 O ATOM 831 CB LEU A 70 -2.036 3.843 -1.190 1.00 0.36 C ATOM 832 CG LEU A 70 -1.558 4.342 -2.558 1.00 0.46 C ATOM 833 CD1 LEU A 70 -2.596 5.251 -3.193 1.00 1.25 C ATOM 834 CD2 LEU A 70 -0.213 5.050 -2.442 1.00 1.16 C ATOM 0 H LEU A 70 -2.554 3.109 1.051 1.00 0.28 H new ATOM 0 HA LEU A 70 -0.626 4.927 0.023 1.00 0.31 H new ATOM 0 HB2 LEU A 70 -1.616 2.851 -1.026 1.00 0.36 H new ATOM 0 HB3 LEU A 70 -3.119 3.728 -1.232 1.00 0.36 H new ATOM 0 HG LEU A 70 -1.425 3.475 -3.205 1.00 0.46 H new ATOM 0 HD11 LEU A 70 -2.235 5.593 -4.163 1.00 1.25 H new ATOM 0 HD12 LEU A 70 -3.528 4.702 -3.326 1.00 1.25 H new ATOM 0 HD13 LEU A 70 -2.770 6.111 -2.547 1.00 1.25 H new ATOM 0 HD21 LEU A 70 0.103 5.394 -3.427 1.00 1.16 H new ATOM 0 HD22 LEU A 70 -0.308 5.905 -1.772 1.00 1.16 H new ATOM 0 HD23 LEU A 70 0.529 4.358 -2.044 1.00 1.16 H new ATOM 846 N ALA A 71 -3.630 6.113 0.521 1.00 0.26 N ATOM 847 CA ALA A 71 -4.370 7.361 0.626 1.00 0.30 C ATOM 848 C ALA A 71 -3.677 8.299 1.609 1.00 0.29 C ATOM 849 O ALA A 71 -3.503 9.485 1.333 1.00 0.36 O ATOM 850 CB ALA A 71 -5.801 7.093 1.061 1.00 0.32 C ATOM 0 H ALA A 71 -4.125 5.298 0.882 1.00 0.26 H new ATOM 0 HA ALA A 71 -4.394 7.839 -0.353 1.00 0.30 H new ATOM 0 HB1 ALA A 71 -6.342 8.037 1.135 1.00 0.32 H new ATOM 0 HB2 ALA A 71 -6.290 6.451 0.328 1.00 0.32 H new ATOM 0 HB3 ALA A 71 -5.799 6.599 2.032 1.00 0.32 H new ATOM 856 N TYR A 72 -3.291 7.754 2.757 1.00 0.25 N ATOM 857 CA TYR A 72 -2.484 8.485 3.727 1.00 0.25 C ATOM 858 C TYR A 72 -1.136 8.882 3.129 1.00 0.26 C ATOM 859 O TYR A 72 -0.595 9.942 3.435 1.00 0.30 O ATOM 860 CB TYR A 72 -2.273 7.643 4.984 1.00 0.25 C ATOM 861 CG TYR A 72 -3.518 7.485 5.825 1.00 0.29 C ATOM 862 CD1 TYR A 72 -4.251 8.595 6.216 1.00 0.34 C ATOM 863 CD2 TYR A 72 -3.960 6.232 6.224 1.00 0.41 C ATOM 864 CE1 TYR A 72 -5.389 8.463 6.981 1.00 0.41 C ATOM 865 CE2 TYR A 72 -5.101 6.092 6.989 1.00 0.47 C ATOM 866 CZ TYR A 72 -5.811 7.212 7.366 1.00 0.43 C ATOM 867 OH TYR A 72 -6.947 7.079 8.127 1.00 0.52 O ATOM 0 H TYR A 72 -3.526 6.803 3.040 1.00 0.25 H new ATOM 0 HA TYR A 72 -3.021 9.395 3.996 1.00 0.25 H new ATOM 0 HB2 TYR A 72 -1.914 6.656 4.693 1.00 0.25 H new ATOM 0 HB3 TYR A 72 -1.491 8.101 5.590 1.00 0.25 H new ATOM 0 HD1 TYR A 72 -3.924 9.580 5.916 1.00 0.34 H new ATOM 0 HD2 TYR A 72 -3.404 5.353 5.932 1.00 0.41 H new ATOM 0 HE1 TYR A 72 -5.948 9.339 7.277 1.00 0.41 H new ATOM 0 HE2 TYR A 72 -5.435 5.110 7.290 1.00 0.47 H new ATOM 0 HH TYR A 72 -7.567 7.809 7.920 1.00 0.52 H new ATOM 877 N LEU A 73 -0.606 8.025 2.272 1.00 0.26 N ATOM 878 CA LEU A 73 0.641 8.292 1.568 1.00 0.30 C ATOM 879 C LEU A 73 0.490 9.460 0.596 1.00 0.37 C ATOM 880 O LEU A 73 1.473 10.103 0.234 1.00 0.50 O ATOM 881 CB LEU A 73 1.107 7.027 0.840 1.00 0.31 C ATOM 882 CG LEU A 73 1.857 6.027 1.724 1.00 0.31 C ATOM 883 CD1 LEU A 73 1.837 4.636 1.109 1.00 0.33 C ATOM 884 CD2 LEU A 73 3.295 6.476 1.927 1.00 0.43 C ATOM 0 H LEU A 73 -1.027 7.124 2.044 1.00 0.26 H new ATOM 0 HA LEU A 73 1.398 8.576 2.299 1.00 0.30 H new ATOM 0 HB2 LEU A 73 0.238 6.531 0.408 1.00 0.31 H new ATOM 0 HB3 LEU A 73 1.753 7.317 0.012 1.00 0.31 H new ATOM 0 HG LEU A 73 1.353 5.988 2.690 1.00 0.31 H new ATOM 0 HD11 LEU A 73 2.376 3.944 1.756 1.00 0.33 H new ATOM 0 HD12 LEU A 73 0.805 4.301 1.000 1.00 0.33 H new ATOM 0 HD13 LEU A 73 2.315 4.664 0.130 1.00 0.33 H new ATOM 0 HD21 LEU A 73 3.816 5.755 2.557 1.00 0.43 H new ATOM 0 HD22 LEU A 73 3.796 6.541 0.961 1.00 0.43 H new ATOM 0 HD23 LEU A 73 3.306 7.454 2.408 1.00 0.43 H new ATOM 896 N ARG A 74 -0.741 9.738 0.184 1.00 0.38 N ATOM 897 CA ARG A 74 -1.015 10.902 -0.654 1.00 0.48 C ATOM 898 C ARG A 74 -1.235 12.138 0.212 1.00 0.53 C ATOM 899 O ARG A 74 -0.990 13.266 -0.216 1.00 0.67 O ATOM 900 CB ARG A 74 -2.265 10.695 -1.517 1.00 0.51 C ATOM 901 CG ARG A 74 -2.258 9.448 -2.390 1.00 0.48 C ATOM 902 CD ARG A 74 -1.053 9.395 -3.319 1.00 1.19 C ATOM 903 NE ARG A 74 -0.899 10.617 -4.110 1.00 1.95 N ATOM 904 CZ ARG A 74 -0.267 10.671 -5.286 1.00 2.78 C ATOM 905 NH1 ARG A 74 0.203 9.566 -5.856 1.00 3.07 N ATOM 906 NH2 ARG A 74 -0.125 11.836 -5.911 1.00 3.53 N ATOM 0 H ARG A 74 -1.562 9.178 0.414 1.00 0.38 H new ATOM 0 HA ARG A 74 -0.150 11.038 -1.303 1.00 0.48 H new ATOM 0 HB2 ARG A 74 -3.135 10.654 -0.862 1.00 0.51 H new ATOM 0 HB3 ARG A 74 -2.390 11.567 -2.159 1.00 0.51 H new ATOM 0 HG2 ARG A 74 -2.262 8.563 -1.754 1.00 0.48 H new ATOM 0 HG3 ARG A 74 -3.172 9.418 -2.983 1.00 0.48 H new ATOM 0 HD2 ARG A 74 -0.151 9.232 -2.729 1.00 1.19 H new ATOM 0 HD3 ARG A 74 -1.153 8.542 -3.990 1.00 1.19 H new ATOM 0 HE ARG A 74 -1.299 11.480 -3.741 1.00 1.95 H new ATOM 0 HH11 ARG A 74 0.083 8.664 -5.395 1.00 3.07 H new ATOM 0 HH12 ARG A 74 0.684 9.620 -6.754 1.00 3.07 H new ATOM 0 HH21 ARG A 74 -0.498 12.688 -5.493 1.00 3.53 H new ATOM 0 HH22 ARG A 74 0.357 11.878 -6.809 1.00 3.53 H new ATOM 920 N THR A 75 -1.706 11.917 1.429 1.00 0.48 N ATOM 921 CA THR A 75 -2.101 13.005 2.310 1.00 0.57 C ATOM 922 C THR A 75 -1.039 13.300 3.367 1.00 0.70 C ATOM 923 O THR A 75 -1.332 13.916 4.394 1.00 1.53 O ATOM 924 CB THR A 75 -3.436 12.672 3.001 1.00 0.54 C ATOM 925 OG1 THR A 75 -3.359 11.378 3.608 1.00 0.55 O ATOM 926 CG2 THR A 75 -4.584 12.691 2.005 1.00 0.49 C ATOM 0 H THR A 75 -1.825 10.987 1.831 1.00 0.48 H new ATOM 0 HA THR A 75 -2.216 13.895 1.692 1.00 0.57 H new ATOM 0 HB THR A 75 -3.622 13.429 3.763 1.00 0.54 H new ATOM 0 HG1 THR A 75 -3.163 11.476 4.563 1.00 0.55 H new ATOM 0 HG21 THR A 75 -5.515 12.453 2.519 1.00 0.49 H new ATOM 0 HG22 THR A 75 -4.660 13.682 1.557 1.00 0.49 H new ATOM 0 HG23 THR A 75 -4.401 11.952 1.225 1.00 0.49 H new ATOM 934 N GLU A 76 0.193 12.855 3.110 1.00 0.57 N ATOM 935 CA GLU A 76 1.334 13.113 4.002 1.00 0.59 C ATOM 936 C GLU A 76 1.119 12.503 5.390 1.00 0.42 C ATOM 937 O GLU A 76 1.807 12.849 6.347 1.00 0.45 O ATOM 938 CB GLU A 76 1.587 14.618 4.133 1.00 0.86 C ATOM 939 CG GLU A 76 1.878 15.307 2.812 1.00 1.85 C ATOM 940 CD GLU A 76 2.137 16.787 2.985 1.00 2.38 C ATOM 941 OE1 GLU A 76 3.275 17.158 3.338 1.00 2.71 O ATOM 942 OE2 GLU A 76 1.201 17.588 2.784 1.00 2.77 O ATOM 0 H GLU A 76 0.431 12.308 2.283 1.00 0.57 H new ATOM 0 HA GLU A 76 2.207 12.638 3.554 1.00 0.59 H new ATOM 0 HB2 GLU A 76 0.715 15.085 4.592 1.00 0.86 H new ATOM 0 HB3 GLU A 76 2.427 14.778 4.809 1.00 0.86 H new ATOM 0 HG2 GLU A 76 2.745 14.840 2.344 1.00 1.85 H new ATOM 0 HG3 GLU A 76 1.035 15.164 2.136 1.00 1.85 H new ATOM 949 N CYS A 77 0.198 11.565 5.469 1.00 0.32 N ATOM 950 CA CYS A 77 -0.179 10.926 6.722 1.00 0.32 C ATOM 951 C CYS A 77 0.611 9.648 6.943 1.00 0.32 C ATOM 952 O CYS A 77 0.081 8.664 7.457 1.00 0.35 O ATOM 953 CB CYS A 77 -1.669 10.625 6.722 1.00 0.33 C ATOM 954 SG CYS A 77 -2.716 12.100 6.704 1.00 0.37 S ATOM 0 H CYS A 77 -0.317 11.218 4.660 1.00 0.32 H new ATOM 0 HA CYS A 77 0.050 11.611 7.538 1.00 0.32 H new ATOM 0 HB2 CYS A 77 -1.906 10.013 5.852 1.00 0.33 H new ATOM 0 HB3 CYS A 77 -1.910 10.032 7.604 1.00 0.33 H new ATOM 0 HG CYS A 77 -2.274 12.935 5.811 1.00 0.37 H new ATOM 960 N TYR A 78 1.867 9.673 6.528 1.00 0.34 N ATOM 961 CA TYR A 78 2.738 8.503 6.560 1.00 0.38 C ATOM 962 C TYR A 78 2.747 7.812 7.925 1.00 0.41 C ATOM 963 O TYR A 78 2.997 6.612 8.004 1.00 0.43 O ATOM 964 CB TYR A 78 4.152 8.908 6.179 1.00 0.44 C ATOM 965 CG TYR A 78 4.213 9.792 4.955 1.00 0.42 C ATOM 966 CD1 TYR A 78 3.521 9.453 3.803 1.00 0.55 C ATOM 967 CD2 TYR A 78 4.946 10.972 4.960 1.00 0.54 C ATOM 968 CE1 TYR A 78 3.562 10.262 2.683 1.00 0.66 C ATOM 969 CE2 TYR A 78 4.989 11.789 3.846 1.00 0.66 C ATOM 970 CZ TYR A 78 4.297 11.429 2.710 1.00 0.66 C ATOM 971 OH TYR A 78 4.333 12.241 1.600 1.00 0.84 O ATOM 0 H TYR A 78 2.317 10.510 6.156 1.00 0.34 H new ATOM 0 HA TYR A 78 2.343 7.786 5.840 1.00 0.38 H new ATOM 0 HB2 TYR A 78 4.611 9.430 7.018 1.00 0.44 H new ATOM 0 HB3 TYR A 78 4.743 8.010 6.000 1.00 0.44 H new ATOM 0 HD1 TYR A 78 2.941 8.542 3.780 1.00 0.55 H new ATOM 0 HD2 TYR A 78 5.491 11.255 5.848 1.00 0.54 H new ATOM 0 HE1 TYR A 78 3.021 9.982 1.791 1.00 0.66 H new ATOM 0 HE2 TYR A 78 5.562 12.704 3.866 1.00 0.66 H new ATOM 0 HH TYR A 78 4.894 13.023 1.785 1.00 0.84 H new ATOM 981 N GLY A 79 2.494 8.567 8.991 1.00 0.43 N ATOM 982 CA GLY A 79 2.348 7.965 10.304 1.00 0.49 C ATOM 983 C GLY A 79 1.255 6.914 10.313 1.00 0.42 C ATOM 984 O GLY A 79 1.499 5.757 10.666 1.00 0.42 O ATOM 0 H GLY A 79 2.388 9.581 8.969 1.00 0.43 H new ATOM 0 HA2 GLY A 79 3.293 7.512 10.605 1.00 0.49 H new ATOM 0 HA3 GLY A 79 2.117 8.738 11.037 1.00 0.49 H new ATOM 988 N TYR A 80 0.057 7.310 9.890 1.00 0.38 N ATOM 989 CA TYR A 80 -1.056 6.377 9.747 1.00 0.36 C ATOM 990 C TYR A 80 -0.744 5.349 8.673 1.00 0.30 C ATOM 991 O TYR A 80 -1.011 4.165 8.842 1.00 0.32 O ATOM 992 CB TYR A 80 -2.350 7.102 9.367 1.00 0.40 C ATOM 993 CG TYR A 80 -2.922 7.994 10.447 1.00 0.56 C ATOM 994 CD1 TYR A 80 -3.195 7.499 11.715 1.00 0.96 C ATOM 995 CD2 TYR A 80 -3.212 9.326 10.187 1.00 1.06 C ATOM 996 CE1 TYR A 80 -3.740 8.308 12.693 1.00 1.28 C ATOM 997 CE2 TYR A 80 -3.753 10.140 11.160 1.00 1.34 C ATOM 998 CZ TYR A 80 -4.016 9.629 12.410 1.00 1.29 C ATOM 999 OH TYR A 80 -4.562 10.441 13.379 1.00 1.70 O ATOM 0 H TYR A 80 -0.167 8.273 9.640 1.00 0.38 H new ATOM 0 HA TYR A 80 -1.194 5.887 10.711 1.00 0.36 H new ATOM 0 HB2 TYR A 80 -2.164 7.706 8.479 1.00 0.40 H new ATOM 0 HB3 TYR A 80 -3.099 6.359 9.096 1.00 0.40 H new ATOM 0 HD1 TYR A 80 -2.978 6.465 11.940 1.00 0.96 H new ATOM 0 HD2 TYR A 80 -3.011 9.732 9.207 1.00 1.06 H new ATOM 0 HE1 TYR A 80 -3.949 7.908 13.674 1.00 1.28 H new ATOM 0 HE2 TYR A 80 -3.970 11.175 10.941 1.00 1.34 H new ATOM 0 HH TYR A 80 -4.693 11.342 13.015 1.00 1.70 H new ATOM 1009 N ALA A 81 -0.169 5.822 7.569 1.00 0.28 N ATOM 1010 CA ALA A 81 0.136 4.972 6.423 1.00 0.28 C ATOM 1011 C ALA A 81 1.005 3.788 6.824 1.00 0.29 C ATOM 1012 O ALA A 81 0.644 2.634 6.590 1.00 0.33 O ATOM 1013 CB ALA A 81 0.822 5.781 5.333 1.00 0.31 C ATOM 0 H ALA A 81 0.097 6.799 7.445 1.00 0.28 H new ATOM 0 HA ALA A 81 -0.806 4.582 6.038 1.00 0.28 H new ATOM 0 HB1 ALA A 81 1.044 5.134 4.484 1.00 0.31 H new ATOM 0 HB2 ALA A 81 0.165 6.589 5.011 1.00 0.31 H new ATOM 0 HB3 ALA A 81 1.750 6.201 5.721 1.00 0.31 H new ATOM 1019 N LEU A 82 2.138 4.083 7.441 1.00 0.30 N ATOM 1020 CA LEU A 82 3.091 3.060 7.846 1.00 0.34 C ATOM 1021 C LEU A 82 2.456 2.107 8.863 1.00 0.32 C ATOM 1022 O LEU A 82 2.637 0.886 8.786 1.00 0.37 O ATOM 1023 CB LEU A 82 4.344 3.749 8.416 1.00 0.42 C ATOM 1024 CG LEU A 82 5.565 2.858 8.686 1.00 0.49 C ATOM 1025 CD1 LEU A 82 5.410 2.093 9.984 1.00 0.49 C ATOM 1026 CD2 LEU A 82 5.792 1.897 7.536 1.00 0.52 C ATOM 0 H LEU A 82 2.423 5.034 7.675 1.00 0.30 H new ATOM 0 HA LEU A 82 3.382 2.458 6.985 1.00 0.34 H new ATOM 0 HB2 LEU A 82 4.644 4.535 7.723 1.00 0.42 H new ATOM 0 HB3 LEU A 82 4.067 4.237 9.350 1.00 0.42 H new ATOM 0 HG LEU A 82 6.435 3.508 8.776 1.00 0.49 H new ATOM 0 HD11 LEU A 82 6.290 1.471 10.147 1.00 0.49 H new ATOM 0 HD12 LEU A 82 5.304 2.796 10.810 1.00 0.49 H new ATOM 0 HD13 LEU A 82 4.524 1.460 9.930 1.00 0.49 H new ATOM 0 HD21 LEU A 82 6.662 1.275 7.748 1.00 0.52 H new ATOM 0 HD22 LEU A 82 4.914 1.263 7.413 1.00 0.52 H new ATOM 0 HD23 LEU A 82 5.964 2.461 6.619 1.00 0.52 H new ATOM 1038 N ASN A 83 1.693 2.663 9.793 1.00 0.32 N ATOM 1039 CA ASN A 83 1.053 1.865 10.831 1.00 0.39 C ATOM 1040 C ASN A 83 -0.010 0.944 10.233 1.00 0.38 C ATOM 1041 O ASN A 83 0.009 -0.270 10.454 1.00 0.42 O ATOM 1042 CB ASN A 83 0.427 2.778 11.888 1.00 0.47 C ATOM 1043 CG ASN A 83 -0.168 2.005 13.047 1.00 1.25 C ATOM 1044 OD1 ASN A 83 0.308 0.929 13.406 1.00 1.86 O ATOM 1045 ND2 ASN A 83 -1.211 2.554 13.645 1.00 2.09 N ATOM 0 H ASN A 83 1.502 3.663 9.851 1.00 0.32 H new ATOM 0 HA ASN A 83 1.815 1.245 11.304 1.00 0.39 H new ATOM 0 HB2 ASN A 83 1.185 3.464 12.265 1.00 0.47 H new ATOM 0 HB3 ASN A 83 -0.350 3.385 11.424 1.00 0.47 H new ATOM 0 HD21 ASN A 83 -1.652 2.084 14.435 1.00 2.09 H new ATOM 0 HD22 ASN A 83 -1.575 3.448 13.316 1.00 2.09 H new ATOM 1052 N ASP A 84 -0.911 1.527 9.450 1.00 0.39 N ATOM 1053 CA ASP A 84 -2.022 0.790 8.851 1.00 0.45 C ATOM 1054 C ASP A 84 -1.508 -0.264 7.876 1.00 0.42 C ATOM 1055 O ASP A 84 -2.084 -1.343 7.748 1.00 0.44 O ATOM 1056 CB ASP A 84 -2.957 1.761 8.131 1.00 0.55 C ATOM 1057 CG ASP A 84 -4.327 1.171 7.876 1.00 0.74 C ATOM 1058 OD1 ASP A 84 -5.151 1.155 8.815 1.00 1.10 O ATOM 1059 OD2 ASP A 84 -4.602 0.764 6.737 1.00 1.19 O ATOM 0 H ASP A 84 -0.894 2.519 9.212 1.00 0.39 H new ATOM 0 HA ASP A 84 -2.571 0.282 9.644 1.00 0.45 H new ATOM 0 HB2 ASP A 84 -3.061 2.668 8.727 1.00 0.55 H new ATOM 0 HB3 ASP A 84 -2.509 2.053 7.181 1.00 0.55 H new ATOM 1064 N ALA A 85 -0.406 0.044 7.204 1.00 0.41 N ATOM 1065 CA ALA A 85 0.220 -0.902 6.295 1.00 0.43 C ATOM 1066 C ALA A 85 0.722 -2.127 7.055 1.00 0.42 C ATOM 1067 O ALA A 85 0.596 -3.261 6.590 1.00 0.42 O ATOM 1068 CB ALA A 85 1.359 -0.240 5.538 1.00 0.48 C ATOM 0 H ALA A 85 0.071 0.943 7.273 1.00 0.41 H new ATOM 0 HA ALA A 85 -0.528 -1.230 5.573 1.00 0.43 H new ATOM 0 HB1 ALA A 85 1.816 -0.963 4.862 1.00 0.48 H new ATOM 0 HB2 ALA A 85 0.973 0.601 4.962 1.00 0.48 H new ATOM 0 HB3 ALA A 85 2.107 0.118 6.246 1.00 0.48 H new ATOM 1074 N THR A 86 1.293 -1.898 8.226 1.00 0.42 N ATOM 1075 CA THR A 86 1.738 -2.991 9.080 1.00 0.44 C ATOM 1076 C THR A 86 0.542 -3.851 9.478 1.00 0.43 C ATOM 1077 O THR A 86 0.633 -5.081 9.565 1.00 0.44 O ATOM 1078 CB THR A 86 2.455 -2.450 10.333 1.00 0.47 C ATOM 1079 OG1 THR A 86 3.511 -1.565 9.933 1.00 0.47 O ATOM 1080 CG2 THR A 86 3.034 -3.579 11.172 1.00 0.55 C ATOM 0 H THR A 86 1.460 -0.967 8.608 1.00 0.42 H new ATOM 0 HA THR A 86 2.449 -3.603 8.525 1.00 0.44 H new ATOM 0 HB THR A 86 1.724 -1.915 10.939 1.00 0.47 H new ATOM 0 HG1 THR A 86 3.126 -0.743 9.563 1.00 0.47 H new ATOM 0 HG21 THR A 86 3.532 -3.163 12.048 1.00 0.55 H new ATOM 0 HG22 THR A 86 2.231 -4.243 11.493 1.00 0.55 H new ATOM 0 HG23 THR A 86 3.754 -4.142 10.578 1.00 0.55 H new ATOM 1088 N ARG A 87 -0.595 -3.194 9.665 1.00 0.43 N ATOM 1089 CA ARG A 87 -1.836 -3.880 9.973 1.00 0.43 C ATOM 1090 C ARG A 87 -2.279 -4.733 8.785 1.00 0.39 C ATOM 1091 O ARG A 87 -2.952 -5.747 8.955 1.00 0.38 O ATOM 1092 CB ARG A 87 -2.920 -2.867 10.332 1.00 0.47 C ATOM 1093 CG ARG A 87 -4.186 -3.494 10.885 1.00 0.58 C ATOM 1094 CD ARG A 87 -3.927 -4.164 12.217 1.00 0.71 C ATOM 1095 NE ARG A 87 -5.081 -4.927 12.680 1.00 1.63 N ATOM 1096 CZ ARG A 87 -5.007 -5.923 13.558 1.00 2.24 C ATOM 1097 NH1 ARG A 87 -3.840 -6.244 14.107 1.00 2.10 N ATOM 1098 NH2 ARG A 87 -6.103 -6.592 13.899 1.00 3.28 N ATOM 0 H ARG A 87 -0.680 -2.179 9.607 1.00 0.43 H new ATOM 0 HA ARG A 87 -1.672 -4.535 10.828 1.00 0.43 H new ATOM 0 HB2 ARG A 87 -2.521 -2.168 11.067 1.00 0.47 H new ATOM 0 HB3 ARG A 87 -3.171 -2.287 9.444 1.00 0.47 H new ATOM 0 HG2 ARG A 87 -4.953 -2.728 11.003 1.00 0.58 H new ATOM 0 HG3 ARG A 87 -4.573 -4.226 10.176 1.00 0.58 H new ATOM 0 HD2 ARG A 87 -3.066 -4.827 12.128 1.00 0.71 H new ATOM 0 HD3 ARG A 87 -3.671 -3.408 12.959 1.00 0.71 H new ATOM 0 HE ARG A 87 -5.999 -4.682 12.308 1.00 1.63 H new ATOM 0 HH11 ARG A 87 -2.998 -5.726 13.855 1.00 2.10 H new ATOM 0 HH12 ARG A 87 -3.786 -7.008 14.780 1.00 2.10 H new ATOM 0 HH21 ARG A 87 -7.002 -6.342 13.487 1.00 3.28 H new ATOM 0 HH22 ARG A 87 -6.045 -7.356 14.573 1.00 3.28 H new ATOM 1112 N ALA A 88 -1.893 -4.322 7.581 1.00 0.39 N ATOM 1113 CA ALA A 88 -2.185 -5.106 6.390 1.00 0.38 C ATOM 1114 C ALA A 88 -1.509 -6.463 6.468 1.00 0.39 C ATOM 1115 O ALA A 88 -2.140 -7.474 6.204 1.00 0.41 O ATOM 1116 CB ALA A 88 -1.762 -4.390 5.125 1.00 0.42 C ATOM 0 H ALA A 88 -1.381 -3.457 7.407 1.00 0.39 H new ATOM 0 HA ALA A 88 -3.266 -5.243 6.350 1.00 0.38 H new ATOM 0 HB1 ALA A 88 -1.998 -5.010 4.260 1.00 0.42 H new ATOM 0 HB2 ALA A 88 -2.294 -3.442 5.048 1.00 0.42 H new ATOM 0 HB3 ALA A 88 -0.689 -4.202 5.155 1.00 0.42 H new ATOM 1122 N ILE A 89 -0.223 -6.487 6.825 1.00 0.42 N ATOM 1123 CA ILE A 89 0.474 -7.764 7.041 1.00 0.47 C ATOM 1124 C ILE A 89 -0.219 -8.599 8.127 1.00 0.47 C ATOM 1125 O ILE A 89 -0.167 -9.827 8.115 1.00 0.59 O ATOM 1126 CB ILE A 89 1.948 -7.570 7.448 1.00 0.60 C ATOM 1127 CG1 ILE A 89 2.681 -6.711 6.439 1.00 0.73 C ATOM 1128 CG2 ILE A 89 2.651 -8.909 7.547 1.00 0.66 C ATOM 1129 CD1 ILE A 89 4.118 -6.447 6.829 1.00 1.15 C ATOM 0 H ILE A 89 0.351 -5.656 6.969 1.00 0.42 H new ATOM 0 HA ILE A 89 0.438 -8.286 6.085 1.00 0.47 H new ATOM 0 HB ILE A 89 1.957 -7.074 8.419 1.00 0.60 H new ATOM 0 HG12 ILE A 89 2.658 -7.201 5.466 1.00 0.73 H new ATOM 0 HG13 ILE A 89 2.158 -5.761 6.330 1.00 0.73 H new ATOM 0 HG21 ILE A 89 3.691 -8.754 7.835 1.00 0.66 H new ATOM 0 HG22 ILE A 89 2.155 -9.526 8.296 1.00 0.66 H new ATOM 0 HG23 ILE A 89 2.614 -9.412 6.581 1.00 0.66 H new ATOM 0 HD11 ILE A 89 4.593 -5.827 6.069 1.00 1.15 H new ATOM 0 HD12 ILE A 89 4.146 -5.930 7.788 1.00 1.15 H new ATOM 0 HD13 ILE A 89 4.652 -7.393 6.911 1.00 1.15 H new ATOM 1141 N GLU A 90 -0.859 -7.927 9.071 1.00 0.42 N ATOM 1142 CA GLU A 90 -1.586 -8.615 10.132 1.00 0.43 C ATOM 1143 C GLU A 90 -2.824 -9.312 9.571 1.00 0.40 C ATOM 1144 O GLU A 90 -3.284 -10.325 10.100 1.00 0.47 O ATOM 1145 CB GLU A 90 -1.989 -7.622 11.220 1.00 0.44 C ATOM 1146 CG GLU A 90 -0.801 -7.001 11.936 1.00 0.50 C ATOM 1147 CD GLU A 90 -0.009 -8.020 12.727 1.00 0.58 C ATOM 1148 OE1 GLU A 90 -0.412 -8.348 13.865 1.00 0.82 O ATOM 1149 OE2 GLU A 90 1.026 -8.496 12.215 1.00 0.73 O ATOM 0 H GLU A 90 -0.891 -6.909 9.126 1.00 0.42 H new ATOM 0 HA GLU A 90 -0.932 -9.371 10.566 1.00 0.43 H new ATOM 0 HB2 GLU A 90 -2.591 -6.830 10.775 1.00 0.44 H new ATOM 0 HB3 GLU A 90 -2.620 -8.129 11.950 1.00 0.44 H new ATOM 0 HG2 GLU A 90 -0.148 -6.525 11.205 1.00 0.50 H new ATOM 0 HG3 GLU A 90 -1.153 -6.218 12.607 1.00 0.50 H new ATOM 1156 N LEU A 91 -3.356 -8.754 8.496 1.00 0.38 N ATOM 1157 CA LEU A 91 -4.513 -9.317 7.820 1.00 0.39 C ATOM 1158 C LEU A 91 -4.073 -10.350 6.793 1.00 0.43 C ATOM 1159 O LEU A 91 -4.537 -11.491 6.786 1.00 0.51 O ATOM 1160 CB LEU A 91 -5.274 -8.218 7.102 1.00 0.36 C ATOM 1161 CG LEU A 91 -5.613 -6.994 7.936 1.00 0.37 C ATOM 1162 CD1 LEU A 91 -6.154 -5.916 7.028 1.00 0.39 C ATOM 1163 CD2 LEU A 91 -6.615 -7.334 9.028 1.00 0.45 C ATOM 0 H LEU A 91 -2.999 -7.900 8.068 1.00 0.38 H new ATOM 0 HA LEU A 91 -5.151 -9.790 8.567 1.00 0.39 H new ATOM 0 HB2 LEU A 91 -4.686 -7.897 6.242 1.00 0.36 H new ATOM 0 HB3 LEU A 91 -6.202 -8.638 6.714 1.00 0.36 H new ATOM 0 HG LEU A 91 -4.709 -6.635 8.428 1.00 0.37 H new ATOM 0 HD11 LEU A 91 -6.400 -5.033 7.618 1.00 0.39 H new ATOM 0 HD12 LEU A 91 -5.402 -5.656 6.283 1.00 0.39 H new ATOM 0 HD13 LEU A 91 -7.051 -6.279 6.527 1.00 0.39 H new ATOM 0 HD21 LEU A 91 -6.838 -6.439 9.608 1.00 0.45 H new ATOM 0 HD22 LEU A 91 -7.532 -7.711 8.576 1.00 0.45 H new ATOM 0 HD23 LEU A 91 -6.194 -8.096 9.684 1.00 0.45 H new ATOM 1175 N ASP A 92 -3.154 -9.926 5.949 1.00 0.46 N ATOM 1176 CA ASP A 92 -2.626 -10.731 4.881 1.00 0.53 C ATOM 1177 C ASP A 92 -1.131 -10.716 5.003 1.00 0.56 C ATOM 1178 O ASP A 92 -0.462 -9.810 4.500 1.00 0.82 O ATOM 1179 CB ASP A 92 -3.047 -10.206 3.506 1.00 0.66 C ATOM 1180 CG ASP A 92 -4.469 -10.565 3.140 1.00 1.77 C ATOM 1181 OD1 ASP A 92 -4.717 -11.744 2.809 1.00 2.32 O ATOM 1182 OD2 ASP A 92 -5.340 -9.664 3.155 1.00 2.34 O ATOM 0 H ASP A 92 -2.749 -8.991 5.993 1.00 0.46 H new ATOM 0 HA ASP A 92 -3.019 -11.744 4.963 1.00 0.53 H new ATOM 0 HB2 ASP A 92 -2.937 -9.122 3.489 1.00 0.66 H new ATOM 0 HB3 ASP A 92 -2.372 -10.606 2.749 1.00 0.66 H new ATOM 1187 N LYS A 93 -0.624 -11.689 5.734 1.00 0.48 N ATOM 1188 CA LYS A 93 0.783 -11.750 6.056 1.00 0.50 C ATOM 1189 C LYS A 93 1.602 -11.729 4.778 1.00 0.55 C ATOM 1190 O LYS A 93 2.636 -11.067 4.709 1.00 0.64 O ATOM 1191 CB LYS A 93 1.049 -13.004 6.880 1.00 0.55 C ATOM 1192 CG LYS A 93 2.201 -12.889 7.871 1.00 0.73 C ATOM 1193 CD LYS A 93 3.538 -12.678 7.185 1.00 1.22 C ATOM 1194 CE LYS A 93 4.663 -12.571 8.197 1.00 1.76 C ATOM 1195 NZ LYS A 93 5.987 -12.418 7.540 1.00 2.61 N ATOM 0 H LYS A 93 -1.176 -12.456 6.119 1.00 0.48 H new ATOM 0 HA LYS A 93 1.077 -10.883 6.648 1.00 0.50 H new ATOM 0 HB2 LYS A 93 0.142 -13.260 7.428 1.00 0.55 H new ATOM 0 HB3 LYS A 93 1.255 -13.831 6.200 1.00 0.55 H new ATOM 0 HG2 LYS A 93 2.010 -12.059 8.551 1.00 0.73 H new ATOM 0 HG3 LYS A 93 2.246 -13.794 8.478 1.00 0.73 H new ATOM 0 HD2 LYS A 93 3.735 -13.506 6.504 1.00 1.22 H new ATOM 0 HD3 LYS A 93 3.501 -11.771 6.581 1.00 1.22 H new ATOM 0 HE2 LYS A 93 4.482 -11.719 8.852 1.00 1.76 H new ATOM 0 HE3 LYS A 93 4.671 -13.461 8.827 1.00 1.76 H new ATOM 0 HZ1 LYS A 93 6.729 -12.348 8.266 1.00 2.61 H new ATOM 0 HZ2 LYS A 93 6.172 -13.243 6.934 1.00 2.61 H new ATOM 0 HZ3 LYS A 93 5.989 -11.555 6.959 1.00 2.61 H new ATOM 1209 N LYS A 94 1.133 -12.429 3.756 1.00 0.55 N ATOM 1210 CA LYS A 94 1.725 -12.288 2.450 1.00 0.61 C ATOM 1211 C LYS A 94 0.814 -11.479 1.540 1.00 0.60 C ATOM 1212 O LYS A 94 -0.184 -11.977 1.016 1.00 0.69 O ATOM 1213 CB LYS A 94 2.018 -13.655 1.830 1.00 0.76 C ATOM 1214 CG LYS A 94 3.141 -14.409 2.523 1.00 0.96 C ATOM 1215 CD LYS A 94 3.413 -15.741 1.844 1.00 1.17 C ATOM 1216 CE LYS A 94 3.852 -15.558 0.399 1.00 1.41 C ATOM 1217 NZ LYS A 94 4.003 -16.862 -0.298 1.00 2.11 N ATOM 0 H LYS A 94 0.357 -13.088 3.811 1.00 0.55 H new ATOM 0 HA LYS A 94 2.670 -11.757 2.562 1.00 0.61 H new ATOM 0 HB2 LYS A 94 1.112 -14.260 1.861 1.00 0.76 H new ATOM 0 HB3 LYS A 94 2.276 -13.521 0.780 1.00 0.76 H new ATOM 0 HG2 LYS A 94 4.047 -13.803 2.516 1.00 0.96 H new ATOM 0 HG3 LYS A 94 2.878 -14.578 3.567 1.00 0.96 H new ATOM 0 HD2 LYS A 94 4.186 -16.278 2.394 1.00 1.17 H new ATOM 0 HD3 LYS A 94 2.513 -16.356 1.876 1.00 1.17 H new ATOM 0 HE2 LYS A 94 3.121 -14.946 -0.129 1.00 1.41 H new ATOM 0 HE3 LYS A 94 4.799 -15.019 0.372 1.00 1.41 H new ATOM 0 HZ1 LYS A 94 4.303 -16.698 -1.280 1.00 2.11 H new ATOM 0 HZ2 LYS A 94 4.719 -17.436 0.191 1.00 2.11 H new ATOM 0 HZ3 LYS A 94 3.093 -17.365 -0.294 1.00 2.11 H new ATOM 1231 N TYR A 95 1.176 -10.222 1.384 1.00 0.53 N ATOM 1232 CA TYR A 95 0.615 -9.348 0.375 1.00 0.58 C ATOM 1233 C TYR A 95 1.765 -8.550 -0.208 1.00 0.55 C ATOM 1234 O TYR A 95 2.317 -7.670 0.456 1.00 0.55 O ATOM 1235 CB TYR A 95 -0.469 -8.431 0.964 1.00 0.63 C ATOM 1236 CG TYR A 95 -1.062 -7.448 -0.029 1.00 0.81 C ATOM 1237 CD1 TYR A 95 -1.156 -7.755 -1.381 1.00 0.99 C ATOM 1238 CD2 TYR A 95 -1.508 -6.199 0.386 1.00 0.91 C ATOM 1239 CE1 TYR A 95 -1.676 -6.850 -2.286 1.00 1.19 C ATOM 1240 CE2 TYR A 95 -2.028 -5.287 -0.514 1.00 1.12 C ATOM 1241 CZ TYR A 95 -2.108 -5.617 -1.848 1.00 1.23 C ATOM 1242 OH TYR A 95 -2.614 -4.713 -2.752 1.00 1.46 O ATOM 0 H TYR A 95 1.882 -9.771 1.966 1.00 0.53 H new ATOM 0 HA TYR A 95 0.122 -9.929 -0.404 1.00 0.58 H new ATOM 0 HB2 TYR A 95 -1.271 -9.049 1.369 1.00 0.63 H new ATOM 0 HB3 TYR A 95 -0.043 -7.874 1.799 1.00 0.63 H new ATOM 0 HD1 TYR A 95 -0.816 -8.719 -1.731 1.00 0.99 H new ATOM 0 HD2 TYR A 95 -1.447 -5.936 1.432 1.00 0.91 H new ATOM 0 HE1 TYR A 95 -1.744 -7.108 -3.333 1.00 1.19 H new ATOM 0 HE2 TYR A 95 -2.369 -4.321 -0.172 1.00 1.12 H new ATOM 0 HH TYR A 95 -2.875 -3.893 -2.283 1.00 1.46 H new ATOM 1252 N ILE A 96 2.146 -8.887 -1.425 1.00 0.56 N ATOM 1253 CA ILE A 96 3.372 -8.371 -2.013 1.00 0.55 C ATOM 1254 C ILE A 96 3.333 -6.858 -2.179 1.00 0.49 C ATOM 1255 O ILE A 96 4.258 -6.158 -1.760 1.00 0.45 O ATOM 1256 CB ILE A 96 3.672 -9.042 -3.363 1.00 0.64 C ATOM 1257 CG1 ILE A 96 3.772 -10.557 -3.178 1.00 0.87 C ATOM 1258 CG2 ILE A 96 4.958 -8.492 -3.952 1.00 0.59 C ATOM 1259 CD1 ILE A 96 4.768 -10.969 -2.115 1.00 0.83 C ATOM 0 H ILE A 96 1.622 -9.519 -2.030 1.00 0.56 H new ATOM 0 HA ILE A 96 4.176 -8.612 -1.317 1.00 0.55 H new ATOM 0 HB ILE A 96 2.859 -8.825 -4.056 1.00 0.64 H new ATOM 0 HG12 ILE A 96 2.789 -10.949 -2.916 1.00 0.87 H new ATOM 0 HG13 ILE A 96 4.055 -11.013 -4.127 1.00 0.87 H new ATOM 0 HG21 ILE A 96 5.157 -8.977 -4.908 1.00 0.59 H new ATOM 0 HG22 ILE A 96 4.858 -7.417 -4.104 1.00 0.59 H new ATOM 0 HG23 ILE A 96 5.784 -8.686 -3.268 1.00 0.59 H new ATOM 0 HD11 ILE A 96 4.788 -12.056 -2.037 1.00 0.83 H new ATOM 0 HD12 ILE A 96 5.760 -10.607 -2.386 1.00 0.83 H new ATOM 0 HD13 ILE A 96 4.475 -10.541 -1.156 1.00 0.83 H new ATOM 1271 N LYS A 97 2.263 -6.349 -2.773 1.00 0.54 N ATOM 1272 CA LYS A 97 2.108 -4.911 -2.919 1.00 0.55 C ATOM 1273 C LYS A 97 1.834 -4.274 -1.553 1.00 0.50 C ATOM 1274 O LYS A 97 1.988 -3.069 -1.374 1.00 0.51 O ATOM 1275 CB LYS A 97 0.999 -4.590 -3.930 1.00 0.71 C ATOM 1276 CG LYS A 97 0.937 -3.120 -4.322 1.00 1.28 C ATOM 1277 CD LYS A 97 0.134 -2.898 -5.601 1.00 1.65 C ATOM 1278 CE LYS A 97 -1.303 -3.382 -5.474 1.00 1.73 C ATOM 1279 NZ LYS A 97 -2.136 -2.957 -6.635 1.00 1.59 N ATOM 0 H LYS A 97 1.498 -6.904 -3.157 1.00 0.54 H new ATOM 0 HA LYS A 97 3.034 -4.487 -3.307 1.00 0.55 H new ATOM 0 HB2 LYS A 97 1.152 -5.190 -4.827 1.00 0.71 H new ATOM 0 HB3 LYS A 97 0.038 -4.886 -3.509 1.00 0.71 H new ATOM 0 HG2 LYS A 97 0.489 -2.548 -3.510 1.00 1.28 H new ATOM 0 HG3 LYS A 97 1.949 -2.739 -4.460 1.00 1.28 H new ATOM 0 HD2 LYS A 97 0.137 -1.837 -5.849 1.00 1.65 H new ATOM 0 HD3 LYS A 97 0.619 -3.419 -6.426 1.00 1.65 H new ATOM 0 HE2 LYS A 97 -1.315 -4.469 -5.397 1.00 1.73 H new ATOM 0 HE3 LYS A 97 -1.737 -2.993 -4.553 1.00 1.73 H new ATOM 0 HZ1 LYS A 97 -3.108 -3.306 -6.511 1.00 1.59 H new ATOM 0 HZ2 LYS A 97 -2.146 -1.919 -6.694 1.00 1.59 H new ATOM 0 HZ3 LYS A 97 -1.736 -3.349 -7.511 1.00 1.59 H new ATOM 1293 N GLY A 98 1.485 -5.112 -0.577 1.00 0.51 N ATOM 1294 CA GLY A 98 1.280 -4.645 0.782 1.00 0.52 C ATOM 1295 C GLY A 98 2.587 -4.258 1.422 1.00 0.43 C ATOM 1296 O GLY A 98 2.709 -3.186 2.020 1.00 0.48 O ATOM 0 H GLY A 98 1.340 -6.113 -0.707 1.00 0.51 H new ATOM 0 HA2 GLY A 98 0.605 -3.789 0.778 1.00 0.52 H new ATOM 0 HA3 GLY A 98 0.800 -5.427 1.371 1.00 0.52 H new ATOM 1300 N TYR A 99 3.566 -5.149 1.307 1.00 0.35 N ATOM 1301 CA TYR A 99 4.920 -4.852 1.744 1.00 0.29 C ATOM 1302 C TYR A 99 5.411 -3.591 1.048 1.00 0.31 C ATOM 1303 O TYR A 99 5.983 -2.690 1.657 1.00 0.32 O ATOM 1304 CB TYR A 99 5.888 -5.987 1.396 1.00 0.30 C ATOM 1305 CG TYR A 99 5.487 -7.387 1.820 1.00 0.38 C ATOM 1306 CD1 TYR A 99 5.080 -7.680 3.120 1.00 0.64 C ATOM 1307 CD2 TYR A 99 5.557 -8.432 0.908 1.00 0.98 C ATOM 1308 CE1 TYR A 99 4.752 -8.971 3.487 1.00 0.71 C ATOM 1309 CE2 TYR A 99 5.238 -9.723 1.274 1.00 1.11 C ATOM 1310 CZ TYR A 99 4.837 -9.985 2.563 1.00 0.72 C ATOM 1311 OH TYR A 99 4.534 -11.272 2.935 1.00 0.92 O ATOM 0 H TYR A 99 3.444 -6.082 0.914 1.00 0.35 H new ATOM 0 HA TYR A 99 4.895 -4.724 2.826 1.00 0.29 H new ATOM 0 HB2 TYR A 99 6.034 -5.989 0.316 1.00 0.30 H new ATOM 0 HB3 TYR A 99 6.854 -5.760 1.848 1.00 0.30 H new ATOM 0 HD1 TYR A 99 5.020 -6.887 3.851 1.00 0.64 H new ATOM 0 HD2 TYR A 99 5.867 -8.230 -0.107 1.00 0.98 H new ATOM 0 HE1 TYR A 99 4.430 -9.183 4.496 1.00 0.71 H new ATOM 0 HE2 TYR A 99 5.303 -10.524 0.552 1.00 1.11 H new ATOM 0 HH TYR A 99 4.119 -11.267 3.823 1.00 0.92 H new ATOM 1321 N TYR A 100 5.134 -3.565 -0.240 1.00 0.34 N ATOM 1322 CA TYR A 100 5.598 -2.524 -1.156 1.00 0.37 C ATOM 1323 C TYR A 100 5.139 -1.129 -0.710 1.00 0.39 C ATOM 1324 O TYR A 100 5.929 -0.179 -0.704 1.00 0.42 O ATOM 1325 CB TYR A 100 5.064 -2.843 -2.558 1.00 0.42 C ATOM 1326 CG TYR A 100 5.793 -2.179 -3.709 1.00 0.43 C ATOM 1327 CD1 TYR A 100 6.937 -2.755 -4.260 1.00 0.46 C ATOM 1328 CD2 TYR A 100 5.314 -1.005 -4.279 1.00 0.51 C ATOM 1329 CE1 TYR A 100 7.579 -2.181 -5.344 1.00 0.55 C ATOM 1330 CE2 TYR A 100 5.956 -0.421 -5.356 1.00 0.60 C ATOM 1331 CZ TYR A 100 7.081 -1.012 -5.887 1.00 0.60 C ATOM 1332 OH TYR A 100 7.698 -0.440 -6.975 1.00 0.73 O ATOM 0 H TYR A 100 4.568 -4.280 -0.696 1.00 0.34 H new ATOM 0 HA TYR A 100 6.688 -2.512 -1.159 1.00 0.37 H new ATOM 0 HB2 TYR A 100 5.102 -3.923 -2.703 1.00 0.42 H new ATOM 0 HB3 TYR A 100 4.014 -2.552 -2.601 1.00 0.42 H new ATOM 0 HD1 TYR A 100 7.330 -3.666 -3.833 1.00 0.46 H new ATOM 0 HD2 TYR A 100 4.426 -0.542 -3.874 1.00 0.51 H new ATOM 0 HE1 TYR A 100 8.461 -2.643 -5.762 1.00 0.55 H new ATOM 0 HE2 TYR A 100 5.576 0.497 -5.780 1.00 0.60 H new ATOM 0 HH TYR A 100 7.473 -0.947 -7.783 1.00 0.73 H new ATOM 1342 N ARG A 101 3.865 -1.010 -0.337 1.00 0.41 N ATOM 1343 CA ARG A 101 3.311 0.269 0.119 1.00 0.46 C ATOM 1344 C ARG A 101 3.962 0.718 1.424 1.00 0.43 C ATOM 1345 O ARG A 101 4.333 1.882 1.582 1.00 0.46 O ATOM 1346 CB ARG A 101 1.796 0.167 0.322 1.00 0.53 C ATOM 1347 CG ARG A 101 1.013 -0.142 -0.942 1.00 0.82 C ATOM 1348 CD ARG A 101 1.221 0.919 -2.009 1.00 1.06 C ATOM 1349 NE ARG A 101 0.351 0.697 -3.161 1.00 1.18 N ATOM 1350 CZ ARG A 101 0.739 0.796 -4.430 1.00 1.58 C ATOM 1351 NH1 ARG A 101 2.002 1.068 -4.723 1.00 2.34 N ATOM 1352 NH2 ARG A 101 -0.140 0.605 -5.406 1.00 1.89 N ATOM 0 H ARG A 101 3.197 -1.781 -0.341 1.00 0.41 H new ATOM 0 HA ARG A 101 3.522 1.006 -0.655 1.00 0.46 H new ATOM 0 HB2 ARG A 101 1.592 -0.609 1.060 1.00 0.53 H new ATOM 0 HB3 ARG A 101 1.433 1.107 0.739 1.00 0.53 H new ATOM 0 HG2 ARG A 101 1.319 -1.113 -1.331 1.00 0.82 H new ATOM 0 HG3 ARG A 101 -0.048 -0.214 -0.704 1.00 0.82 H new ATOM 0 HD2 ARG A 101 1.024 1.904 -1.587 1.00 1.06 H new ATOM 0 HD3 ARG A 101 2.262 0.913 -2.331 1.00 1.06 H new ATOM 0 HE ARG A 101 -0.622 0.449 -2.980 1.00 1.18 H new ATOM 0 HH11 ARG A 101 2.682 1.202 -3.974 1.00 2.34 H new ATOM 0 HH12 ARG A 101 2.295 1.143 -5.697 1.00 2.34 H new ATOM 0 HH21 ARG A 101 -1.110 0.383 -5.182 1.00 1.89 H new ATOM 0 HH22 ARG A 101 0.155 0.680 -6.380 1.00 1.89 H new ATOM 1366 N ARG A 102 4.106 -0.217 2.349 1.00 0.41 N ATOM 1367 CA ARG A 102 4.673 0.073 3.660 1.00 0.43 C ATOM 1368 C ARG A 102 6.143 0.429 3.555 1.00 0.37 C ATOM 1369 O ARG A 102 6.630 1.322 4.250 1.00 0.38 O ATOM 1370 CB ARG A 102 4.498 -1.126 4.546 1.00 0.52 C ATOM 1371 CG ARG A 102 4.972 -0.951 5.976 1.00 0.87 C ATOM 1372 CD ARG A 102 4.644 -2.200 6.766 1.00 1.12 C ATOM 1373 NE ARG A 102 4.954 -3.381 5.978 1.00 1.87 N ATOM 1374 CZ ARG A 102 4.085 -3.994 5.180 1.00 2.58 C ATOM 1375 NH1 ARG A 102 2.809 -3.646 5.162 1.00 2.78 N ATOM 1376 NH2 ARG A 102 4.494 -4.969 4.411 1.00 3.57 N ATOM 0 H ARG A 102 3.836 -1.192 2.216 1.00 0.41 H new ATOM 0 HA ARG A 102 4.152 0.930 4.085 1.00 0.43 H new ATOM 0 HB2 ARG A 102 3.442 -1.395 4.561 1.00 0.52 H new ATOM 0 HB3 ARG A 102 5.034 -1.965 4.103 1.00 0.52 H new ATOM 0 HG2 ARG A 102 6.046 -0.766 5.996 1.00 0.87 H new ATOM 0 HG3 ARG A 102 4.490 -0.084 6.428 1.00 0.87 H new ATOM 0 HD2 ARG A 102 5.214 -2.213 7.695 1.00 1.12 H new ATOM 0 HD3 ARG A 102 3.589 -2.201 7.039 1.00 1.12 H new ATOM 0 HE ARG A 102 5.897 -3.764 6.041 1.00 1.87 H new ATOM 0 HH11 ARG A 102 2.477 -2.895 5.767 1.00 2.78 H new ATOM 0 HH12 ARG A 102 2.158 -4.128 4.543 1.00 2.78 H new ATOM 0 HH21 ARG A 102 5.473 -5.254 4.426 1.00 3.57 H new ATOM 0 HH22 ARG A 102 3.834 -5.445 3.796 1.00 3.57 H new ATOM 1390 N ALA A 103 6.845 -0.279 2.684 1.00 0.34 N ATOM 1391 CA ALA A 103 8.238 0.014 2.416 1.00 0.32 C ATOM 1392 C ALA A 103 8.386 1.474 1.978 1.00 0.33 C ATOM 1393 O ALA A 103 9.306 2.171 2.396 1.00 0.35 O ATOM 1394 CB ALA A 103 8.782 -0.917 1.352 1.00 0.33 C ATOM 0 H ALA A 103 6.468 -1.063 2.151 1.00 0.34 H new ATOM 0 HA ALA A 103 8.813 -0.141 3.329 1.00 0.32 H new ATOM 0 HB1 ALA A 103 9.830 -0.682 1.164 1.00 0.33 H new ATOM 0 HB2 ALA A 103 8.697 -1.949 1.693 1.00 0.33 H new ATOM 0 HB3 ALA A 103 8.211 -0.791 0.432 1.00 0.33 H new ATOM 1400 N ALA A 104 7.441 1.939 1.158 1.00 0.33 N ATOM 1401 CA ALA A 104 7.438 3.323 0.696 1.00 0.35 C ATOM 1402 C ALA A 104 7.161 4.276 1.853 1.00 0.35 C ATOM 1403 O ALA A 104 7.748 5.353 1.933 1.00 0.38 O ATOM 1404 CB ALA A 104 6.414 3.518 -0.412 1.00 0.39 C ATOM 0 H ALA A 104 6.669 1.375 0.802 1.00 0.33 H new ATOM 0 HA ALA A 104 8.426 3.549 0.294 1.00 0.35 H new ATOM 0 HB1 ALA A 104 6.428 4.557 -0.742 1.00 0.39 H new ATOM 0 HB2 ALA A 104 6.658 2.867 -1.252 1.00 0.39 H new ATOM 0 HB3 ALA A 104 5.421 3.270 -0.037 1.00 0.39 H new ATOM 1410 N SER A 105 6.266 3.866 2.749 1.00 0.34 N ATOM 1411 CA SER A 105 5.995 4.619 3.969 1.00 0.36 C ATOM 1412 C SER A 105 7.282 4.808 4.772 1.00 0.34 C ATOM 1413 O SER A 105 7.569 5.902 5.256 1.00 0.33 O ATOM 1414 CB SER A 105 4.943 3.887 4.811 1.00 0.40 C ATOM 1415 OG SER A 105 3.657 3.975 4.217 1.00 0.64 O ATOM 0 H SER A 105 5.715 3.013 2.651 1.00 0.34 H new ATOM 0 HA SER A 105 5.609 5.602 3.700 1.00 0.36 H new ATOM 0 HB2 SER A 105 5.225 2.840 4.920 1.00 0.40 H new ATOM 0 HB3 SER A 105 4.914 4.315 5.813 1.00 0.40 H new ATOM 0 HG SER A 105 3.006 3.498 4.774 1.00 0.64 H new ATOM 1421 N ASN A 106 8.066 3.744 4.884 1.00 0.36 N ATOM 1422 CA ASN A 106 9.336 3.800 5.597 1.00 0.37 C ATOM 1423 C ASN A 106 10.343 4.675 4.860 1.00 0.36 C ATOM 1424 O ASN A 106 11.040 5.478 5.484 1.00 0.37 O ATOM 1425 CB ASN A 106 9.908 2.398 5.795 1.00 0.40 C ATOM 1426 CG ASN A 106 9.268 1.648 6.947 1.00 0.43 C ATOM 1427 OD1 ASN A 106 8.923 2.362 8.011 1.00 1.09 O flip ATOM 1428 ND2 ASN A 106 9.099 0.432 6.893 1.00 1.32 N flip ATOM 0 H ASN A 106 7.845 2.830 4.490 1.00 0.36 H new ATOM 0 HA ASN A 106 9.146 4.243 6.574 1.00 0.37 H new ATOM 0 HB2 ASN A 106 9.773 1.825 4.878 1.00 0.40 H new ATOM 0 HB3 ASN A 106 10.981 2.472 5.970 1.00 0.40 H new ATOM 0 HD21 ASN A 106 9.376 -0.085 6.059 1.00 1.32 H new ATOM 0 HD22 ASN A 106 8.681 -0.060 7.683 1.00 1.32 H new ATOM 1435 N MET A 107 10.410 4.524 3.536 1.00 0.38 N ATOM 1436 CA MET A 107 11.302 5.344 2.712 1.00 0.40 C ATOM 1437 C MET A 107 10.982 6.824 2.886 1.00 0.40 C ATOM 1438 O MET A 107 11.879 7.667 2.944 1.00 0.45 O ATOM 1439 CB MET A 107 11.186 4.973 1.225 1.00 0.46 C ATOM 1440 CG MET A 107 11.762 3.611 0.871 1.00 0.44 C ATOM 1441 SD MET A 107 13.529 3.484 1.212 1.00 1.26 S ATOM 1442 CE MET A 107 14.197 4.543 -0.069 1.00 0.70 C ATOM 0 H MET A 107 9.859 3.844 3.012 1.00 0.38 H new ATOM 0 HA MET A 107 12.322 5.150 3.044 1.00 0.40 H new ATOM 0 HB2 MET A 107 10.135 4.995 0.938 1.00 0.46 H new ATOM 0 HB3 MET A 107 11.694 5.734 0.632 1.00 0.46 H new ATOM 0 HG2 MET A 107 11.233 2.841 1.433 1.00 0.44 H new ATOM 0 HG3 MET A 107 11.586 3.412 -0.186 1.00 0.44 H new ATOM 0 HE1 MET A 107 15.281 4.431 -0.106 1.00 0.70 H new ATOM 0 HE2 MET A 107 13.770 4.263 -1.032 1.00 0.70 H new ATOM 0 HE3 MET A 107 13.947 5.581 0.150 1.00 0.70 H new ATOM 1452 N ALA A 108 9.693 7.124 2.975 1.00 0.36 N ATOM 1453 CA ALA A 108 9.218 8.489 3.135 1.00 0.38 C ATOM 1454 C ALA A 108 9.541 9.037 4.525 1.00 0.39 C ATOM 1455 O ALA A 108 9.871 10.214 4.679 1.00 0.43 O ATOM 1456 CB ALA A 108 7.719 8.542 2.873 1.00 0.38 C ATOM 0 H ALA A 108 8.949 6.427 2.938 1.00 0.36 H new ATOM 0 HA ALA A 108 9.734 9.119 2.410 1.00 0.38 H new ATOM 0 HB1 ALA A 108 7.365 9.566 2.993 1.00 0.38 H new ATOM 0 HB2 ALA A 108 7.515 8.204 1.857 1.00 0.38 H new ATOM 0 HB3 ALA A 108 7.203 7.894 3.581 1.00 0.38 H new ATOM 1462 N LEU A 109 9.451 8.176 5.529 1.00 0.38 N ATOM 1463 CA LEU A 109 9.716 8.573 6.909 1.00 0.40 C ATOM 1464 C LEU A 109 11.206 8.804 7.142 1.00 0.43 C ATOM 1465 O LEU A 109 11.599 9.745 7.830 1.00 0.65 O ATOM 1466 CB LEU A 109 9.205 7.507 7.884 1.00 0.38 C ATOM 1467 CG LEU A 109 7.686 7.327 7.923 1.00 0.48 C ATOM 1468 CD1 LEU A 109 7.309 6.173 8.840 1.00 0.75 C ATOM 1469 CD2 LEU A 109 7.013 8.613 8.379 1.00 0.82 C ATOM 0 H LEU A 109 9.196 7.195 5.415 1.00 0.38 H new ATOM 0 HA LEU A 109 9.187 9.509 7.088 1.00 0.40 H new ATOM 0 HB2 LEU A 109 9.660 6.552 7.623 1.00 0.38 H new ATOM 0 HB3 LEU A 109 9.550 7.761 8.886 1.00 0.38 H new ATOM 0 HG LEU A 109 7.339 7.092 6.917 1.00 0.48 H new ATOM 0 HD11 LEU A 109 6.225 6.060 8.855 1.00 0.75 H new ATOM 0 HD12 LEU A 109 7.765 5.253 8.474 1.00 0.75 H new ATOM 0 HD13 LEU A 109 7.667 6.378 9.849 1.00 0.75 H new ATOM 0 HD21 LEU A 109 5.933 8.470 8.402 1.00 0.82 H new ATOM 0 HD22 LEU A 109 7.366 8.874 9.377 1.00 0.82 H new ATOM 0 HD23 LEU A 109 7.258 9.417 7.685 1.00 0.82 H new ATOM 1481 N GLY A 110 12.026 7.943 6.561 1.00 0.39 N ATOM 1482 CA GLY A 110 13.458 8.021 6.775 1.00 0.41 C ATOM 1483 C GLY A 110 14.021 6.701 7.254 1.00 0.39 C ATOM 1484 O GLY A 110 15.236 6.525 7.359 1.00 0.47 O ATOM 0 H GLY A 110 11.726 7.189 5.943 1.00 0.39 H new ATOM 0 HA2 GLY A 110 13.950 8.312 5.847 1.00 0.41 H new ATOM 0 HA3 GLY A 110 13.675 8.798 7.508 1.00 0.41 H new ATOM 1488 N LYS A 111 13.128 5.761 7.534 1.00 0.36 N ATOM 1489 CA LYS A 111 13.519 4.431 7.974 1.00 0.38 C ATOM 1490 C LYS A 111 13.852 3.562 6.770 1.00 0.30 C ATOM 1491 O LYS A 111 13.090 2.665 6.407 1.00 0.32 O ATOM 1492 CB LYS A 111 12.399 3.790 8.801 1.00 0.53 C ATOM 1493 CG LYS A 111 12.184 4.461 10.143 1.00 0.74 C ATOM 1494 CD LYS A 111 10.984 3.889 10.881 1.00 0.54 C ATOM 1495 CE LYS A 111 10.791 4.565 12.230 1.00 1.22 C ATOM 1496 NZ LYS A 111 9.692 3.945 13.018 1.00 1.73 N ATOM 0 H LYS A 111 12.120 5.898 7.463 1.00 0.36 H new ATOM 0 HA LYS A 111 14.405 4.516 8.603 1.00 0.38 H new ATOM 0 HB2 LYS A 111 11.470 3.827 8.232 1.00 0.53 H new ATOM 0 HB3 LYS A 111 12.633 2.738 8.962 1.00 0.53 H new ATOM 0 HG2 LYS A 111 13.077 4.340 10.756 1.00 0.74 H new ATOM 0 HG3 LYS A 111 12.042 5.531 9.994 1.00 0.74 H new ATOM 0 HD2 LYS A 111 10.087 4.018 10.276 1.00 0.54 H new ATOM 0 HD3 LYS A 111 11.120 2.817 11.025 1.00 0.54 H new ATOM 0 HE2 LYS A 111 11.719 4.509 12.798 1.00 1.22 H new ATOM 0 HE3 LYS A 111 10.574 5.622 12.077 1.00 1.22 H new ATOM 0 HZ1 LYS A 111 9.597 4.438 13.929 1.00 1.73 H new ATOM 0 HZ2 LYS A 111 8.800 4.021 12.489 1.00 1.73 H new ATOM 0 HZ3 LYS A 111 9.910 2.942 13.188 1.00 1.73 H new ATOM 1510 N PHE A 112 14.981 3.855 6.139 1.00 0.30 N ATOM 1511 CA PHE A 112 15.394 3.152 4.934 1.00 0.29 C ATOM 1512 C PHE A 112 15.614 1.668 5.193 1.00 0.30 C ATOM 1513 O PHE A 112 15.215 0.837 4.388 1.00 0.34 O ATOM 1514 CB PHE A 112 16.663 3.784 4.360 1.00 0.35 C ATOM 1515 CG PHE A 112 16.502 5.240 4.047 1.00 0.39 C ATOM 1516 CD1 PHE A 112 15.726 5.649 2.977 1.00 0.41 C ATOM 1517 CD2 PHE A 112 17.115 6.200 4.830 1.00 0.48 C ATOM 1518 CE1 PHE A 112 15.565 6.990 2.693 1.00 0.48 C ATOM 1519 CE2 PHE A 112 16.958 7.542 4.554 1.00 0.54 C ATOM 1520 CZ PHE A 112 16.183 7.937 3.484 1.00 0.53 C ATOM 0 H PHE A 112 15.630 4.580 6.445 1.00 0.30 H new ATOM 0 HA PHE A 112 14.588 3.244 4.206 1.00 0.29 H new ATOM 0 HB2 PHE A 112 17.479 3.659 5.072 1.00 0.35 H new ATOM 0 HB3 PHE A 112 16.948 3.252 3.452 1.00 0.35 H new ATOM 0 HD1 PHE A 112 15.241 4.910 2.357 1.00 0.41 H new ATOM 0 HD2 PHE A 112 17.724 5.895 5.668 1.00 0.48 H new ATOM 0 HE1 PHE A 112 14.957 7.297 1.855 1.00 0.48 H new ATOM 0 HE2 PHE A 112 17.441 8.282 5.175 1.00 0.54 H new ATOM 0 HZ PHE A 112 16.060 8.987 3.265 1.00 0.53 H new ATOM 1530 N ARG A 113 16.223 1.320 6.319 1.00 0.34 N ATOM 1531 CA ARG A 113 16.476 -0.085 6.612 1.00 0.38 C ATOM 1532 C ARG A 113 15.170 -0.823 6.860 1.00 0.34 C ATOM 1533 O ARG A 113 15.036 -1.995 6.508 1.00 0.34 O ATOM 1534 CB ARG A 113 17.407 -0.255 7.807 1.00 0.49 C ATOM 1535 CG ARG A 113 18.816 0.254 7.558 1.00 1.21 C ATOM 1536 CD ARG A 113 19.837 -0.546 8.349 1.00 1.58 C ATOM 1537 NE ARG A 113 19.781 -1.971 8.015 1.00 2.42 N ATOM 1538 CZ ARG A 113 20.847 -2.760 7.894 1.00 3.14 C ATOM 1539 NH1 ARG A 113 22.070 -2.283 8.094 1.00 3.25 N ATOM 1540 NH2 ARG A 113 20.687 -4.036 7.570 1.00 4.15 N ATOM 0 H ARG A 113 16.545 1.975 7.031 1.00 0.34 H new ATOM 0 HA ARG A 113 16.969 -0.514 5.740 1.00 0.38 H new ATOM 0 HB2 ARG A 113 16.985 0.272 8.663 1.00 0.49 H new ATOM 0 HB3 ARG A 113 17.453 -1.311 8.074 1.00 0.49 H new ATOM 0 HG2 ARG A 113 19.046 0.191 6.494 1.00 1.21 H new ATOM 0 HG3 ARG A 113 18.880 1.306 7.836 1.00 1.21 H new ATOM 0 HD2 ARG A 113 20.837 -0.163 8.146 1.00 1.58 H new ATOM 0 HD3 ARG A 113 19.656 -0.414 9.416 1.00 1.58 H new ATOM 0 HE ARG A 113 18.862 -2.388 7.865 1.00 2.42 H new ATOM 0 HH11 ARG A 113 22.201 -1.303 8.343 1.00 3.25 H new ATOM 0 HH12 ARG A 113 22.879 -2.897 7.998 1.00 3.25 H new ATOM 0 HH21 ARG A 113 19.751 -4.409 7.415 1.00 4.15 H new ATOM 0 HH22 ARG A 113 21.500 -4.644 7.476 1.00 4.15 H new ATOM 1554 N ALA A 114 14.207 -0.133 7.458 1.00 0.34 N ATOM 1555 CA ALA A 114 12.890 -0.709 7.680 1.00 0.34 C ATOM 1556 C ALA A 114 12.204 -0.961 6.342 1.00 0.28 C ATOM 1557 O ALA A 114 11.596 -2.014 6.118 1.00 0.30 O ATOM 1558 CB ALA A 114 12.046 0.203 8.555 1.00 0.40 C ATOM 0 H ALA A 114 14.314 0.823 7.797 1.00 0.34 H new ATOM 0 HA ALA A 114 13.004 -1.660 8.200 1.00 0.34 H new ATOM 0 HB1 ALA A 114 11.065 -0.246 8.709 1.00 0.40 H new ATOM 0 HB2 ALA A 114 12.537 0.340 9.518 1.00 0.40 H new ATOM 0 HB3 ALA A 114 11.930 1.170 8.066 1.00 0.40 H new ATOM 1564 N ALA A 115 12.347 0.004 5.444 1.00 0.26 N ATOM 1565 CA ALA A 115 11.799 -0.099 4.105 1.00 0.23 C ATOM 1566 C ALA A 115 12.474 -1.223 3.351 1.00 0.23 C ATOM 1567 O ALA A 115 11.829 -1.987 2.635 1.00 0.25 O ATOM 1568 CB ALA A 115 11.993 1.209 3.360 1.00 0.23 C ATOM 0 H ALA A 115 12.845 0.876 5.625 1.00 0.26 H new ATOM 0 HA ALA A 115 10.732 -0.311 4.179 1.00 0.23 H new ATOM 0 HB1 ALA A 115 11.578 1.121 2.356 1.00 0.23 H new ATOM 0 HB2 ALA A 115 11.483 2.011 3.894 1.00 0.23 H new ATOM 0 HB3 ALA A 115 13.057 1.436 3.294 1.00 0.23 H new ATOM 1574 N LEU A 116 13.783 -1.315 3.530 1.00 0.24 N ATOM 1575 CA LEU A 116 14.569 -2.351 2.898 1.00 0.28 C ATOM 1576 C LEU A 116 14.110 -3.724 3.354 1.00 0.29 C ATOM 1577 O LEU A 116 14.170 -4.671 2.594 1.00 0.30 O ATOM 1578 CB LEU A 116 16.053 -2.168 3.204 1.00 0.32 C ATOM 1579 CG LEU A 116 16.983 -3.072 2.397 1.00 0.40 C ATOM 1580 CD1 LEU A 116 16.853 -2.771 0.913 1.00 0.47 C ATOM 1581 CD2 LEU A 116 18.422 -2.907 2.851 1.00 0.49 C ATOM 0 H LEU A 116 14.323 -0.676 4.114 1.00 0.24 H new ATOM 0 HA LEU A 116 14.424 -2.273 1.821 1.00 0.28 H new ATOM 0 HB2 LEU A 116 16.324 -1.129 3.016 1.00 0.32 H new ATOM 0 HB3 LEU A 116 16.218 -2.354 4.265 1.00 0.32 H new ATOM 0 HG LEU A 116 16.691 -4.108 2.569 1.00 0.40 H new ATOM 0 HD11 LEU A 116 17.521 -3.422 0.350 1.00 0.47 H new ATOM 0 HD12 LEU A 116 15.825 -2.944 0.595 1.00 0.47 H new ATOM 0 HD13 LEU A 116 17.120 -1.730 0.728 1.00 0.47 H new ATOM 0 HD21 LEU A 116 19.066 -3.560 2.263 1.00 0.49 H new ATOM 0 HD22 LEU A 116 18.731 -1.871 2.712 1.00 0.49 H new ATOM 0 HD23 LEU A 116 18.503 -3.171 3.905 1.00 0.49 H new ATOM 1593 N ARG A 117 13.648 -3.824 4.597 1.00 0.34 N ATOM 1594 CA ARG A 117 13.116 -5.085 5.107 1.00 0.40 C ATOM 1595 C ARG A 117 11.899 -5.499 4.303 1.00 0.34 C ATOM 1596 O ARG A 117 11.758 -6.662 3.911 1.00 0.35 O ATOM 1597 CB ARG A 117 12.708 -4.966 6.574 1.00 0.57 C ATOM 1598 CG ARG A 117 13.846 -4.646 7.517 1.00 0.70 C ATOM 1599 CD ARG A 117 13.330 -4.487 8.935 1.00 1.01 C ATOM 1600 NE ARG A 117 12.802 -5.743 9.470 1.00 1.90 N ATOM 1601 CZ ARG A 117 11.502 -5.992 9.662 1.00 2.55 C ATOM 1602 NH1 ARG A 117 10.588 -5.074 9.359 1.00 2.45 N ATOM 1603 NH2 ARG A 117 11.126 -7.161 10.166 1.00 3.56 N ATOM 0 H ARG A 117 13.631 -3.054 5.266 1.00 0.34 H new ATOM 0 HA ARG A 117 13.905 -5.832 5.016 1.00 0.40 H new ATOM 0 HB2 ARG A 117 11.948 -4.190 6.665 1.00 0.57 H new ATOM 0 HB3 ARG A 117 12.246 -5.902 6.887 1.00 0.57 H new ATOM 0 HG2 ARG A 117 14.591 -5.441 7.481 1.00 0.70 H new ATOM 0 HG3 ARG A 117 14.343 -3.729 7.199 1.00 0.70 H new ATOM 0 HD2 ARG A 117 14.136 -4.130 9.576 1.00 1.01 H new ATOM 0 HD3 ARG A 117 12.548 -3.728 8.953 1.00 1.01 H new ATOM 0 HE ARG A 117 13.469 -6.476 9.712 1.00 1.90 H new ATOM 0 HH11 ARG A 117 10.877 -4.173 8.978 1.00 2.45 H new ATOM 0 HH12 ARG A 117 9.598 -5.271 9.508 1.00 2.45 H new ATOM 0 HH21 ARG A 117 11.827 -7.863 10.404 1.00 3.56 H new ATOM 0 HH22 ARG A 117 10.136 -7.357 10.315 1.00 3.56 H new ATOM 1617 N ASP A 118 11.022 -4.539 4.054 1.00 0.33 N ATOM 1618 CA ASP A 118 9.796 -4.823 3.337 1.00 0.33 C ATOM 1619 C ASP A 118 10.062 -5.050 1.856 1.00 0.28 C ATOM 1620 O ASP A 118 9.521 -5.981 1.261 1.00 0.31 O ATOM 1621 CB ASP A 118 8.754 -3.734 3.556 1.00 0.40 C ATOM 1622 CG ASP A 118 7.752 -4.157 4.608 1.00 0.63 C ATOM 1623 OD1 ASP A 118 7.056 -5.173 4.392 1.00 0.77 O ATOM 1624 OD2 ASP A 118 7.657 -3.498 5.663 1.00 1.06 O ATOM 0 H ASP A 118 11.137 -3.566 4.336 1.00 0.33 H new ATOM 0 HA ASP A 118 9.387 -5.748 3.743 1.00 0.33 H new ATOM 0 HB2 ASP A 118 9.245 -2.811 3.864 1.00 0.40 H new ATOM 0 HB3 ASP A 118 8.238 -3.523 2.619 1.00 0.40 H new ATOM 1629 N TYR A 119 10.931 -4.232 1.274 1.00 0.24 N ATOM 1630 CA TYR A 119 11.323 -4.414 -0.120 1.00 0.26 C ATOM 1631 C TYR A 119 12.101 -5.711 -0.309 1.00 0.28 C ATOM 1632 O TYR A 119 11.936 -6.399 -1.319 1.00 0.33 O ATOM 1633 CB TYR A 119 12.154 -3.230 -0.614 1.00 0.28 C ATOM 1634 CG TYR A 119 11.327 -2.023 -0.995 1.00 0.33 C ATOM 1635 CD1 TYR A 119 10.132 -2.175 -1.688 1.00 0.38 C ATOM 1636 CD2 TYR A 119 11.735 -0.735 -0.665 1.00 0.38 C ATOM 1637 CE1 TYR A 119 9.367 -1.082 -2.041 1.00 0.46 C ATOM 1638 CE2 TYR A 119 10.973 0.365 -1.015 1.00 0.47 C ATOM 1639 CZ TYR A 119 9.789 0.186 -1.703 1.00 0.50 C ATOM 1640 OH TYR A 119 9.024 1.273 -2.054 1.00 0.60 O ATOM 0 H TYR A 119 11.375 -3.441 1.741 1.00 0.24 H new ATOM 0 HA TYR A 119 10.409 -4.470 -0.711 1.00 0.26 H new ATOM 0 HB2 TYR A 119 12.861 -2.944 0.165 1.00 0.28 H new ATOM 0 HB3 TYR A 119 12.741 -3.544 -1.477 1.00 0.28 H new ATOM 0 HD1 TYR A 119 9.796 -3.166 -1.955 1.00 0.38 H new ATOM 0 HD2 TYR A 119 12.661 -0.592 -0.127 1.00 0.38 H new ATOM 0 HE1 TYR A 119 8.441 -1.220 -2.580 1.00 0.46 H new ATOM 0 HE2 TYR A 119 11.302 1.359 -0.751 1.00 0.47 H new ATOM 0 HH TYR A 119 9.459 2.094 -1.742 1.00 0.60 H new ATOM 1650 N GLU A 120 12.938 -6.044 0.668 1.00 0.28 N ATOM 1651 CA GLU A 120 13.711 -7.278 0.636 1.00 0.34 C ATOM 1652 C GLU A 120 12.770 -8.464 0.577 1.00 0.37 C ATOM 1653 O GLU A 120 12.964 -9.385 -0.204 1.00 0.43 O ATOM 1654 CB GLU A 120 14.600 -7.390 1.877 1.00 0.36 C ATOM 1655 CG GLU A 120 15.771 -8.344 1.714 1.00 0.42 C ATOM 1656 CD GLU A 120 16.578 -8.504 2.989 1.00 0.48 C ATOM 1657 OE1 GLU A 120 17.531 -7.725 3.195 1.00 0.58 O ATOM 1658 OE2 GLU A 120 16.264 -9.407 3.791 1.00 0.61 O ATOM 0 H GLU A 120 13.098 -5.471 1.497 1.00 0.28 H new ATOM 0 HA GLU A 120 14.347 -7.268 -0.249 1.00 0.34 H new ATOM 0 HB2 GLU A 120 14.983 -6.401 2.128 1.00 0.36 H new ATOM 0 HB3 GLU A 120 13.991 -7.719 2.719 1.00 0.36 H new ATOM 0 HG2 GLU A 120 15.399 -9.319 1.400 1.00 0.42 H new ATOM 0 HG3 GLU A 120 16.423 -7.980 0.920 1.00 0.42 H new ATOM 1665 N THR A 121 11.734 -8.416 1.395 1.00 0.36 N ATOM 1666 CA THR A 121 10.747 -9.474 1.429 1.00 0.40 C ATOM 1667 C THR A 121 10.051 -9.614 0.073 1.00 0.40 C ATOM 1668 O THR A 121 9.889 -10.726 -0.433 1.00 0.45 O ATOM 1669 CB THR A 121 9.712 -9.218 2.537 1.00 0.41 C ATOM 1670 OG1 THR A 121 10.381 -9.102 3.805 1.00 0.43 O ATOM 1671 CG2 THR A 121 8.696 -10.350 2.596 1.00 0.47 C ATOM 0 H THR A 121 11.556 -7.651 2.046 1.00 0.36 H new ATOM 0 HA THR A 121 11.264 -10.408 1.648 1.00 0.40 H new ATOM 0 HB THR A 121 9.185 -8.290 2.314 1.00 0.41 H new ATOM 0 HG1 THR A 121 10.851 -8.243 3.849 1.00 0.43 H new ATOM 0 HG21 THR A 121 7.973 -10.149 3.387 1.00 0.47 H new ATOM 0 HG22 THR A 121 8.177 -10.424 1.640 1.00 0.47 H new ATOM 0 HG23 THR A 121 9.209 -11.289 2.804 1.00 0.47 H new ATOM 1679 N VAL A 122 9.673 -8.483 -0.522 1.00 0.37 N ATOM 1680 CA VAL A 122 9.050 -8.478 -1.845 1.00 0.39 C ATOM 1681 C VAL A 122 9.949 -9.166 -2.867 1.00 0.44 C ATOM 1682 O VAL A 122 9.503 -10.018 -3.638 1.00 0.50 O ATOM 1683 CB VAL A 122 8.763 -7.038 -2.334 1.00 0.38 C ATOM 1684 CG1 VAL A 122 8.136 -7.043 -3.717 1.00 0.43 C ATOM 1685 CG2 VAL A 122 7.867 -6.304 -1.357 1.00 0.36 C ATOM 0 H VAL A 122 9.788 -7.558 -0.108 1.00 0.37 H new ATOM 0 HA VAL A 122 8.108 -9.018 -1.753 1.00 0.39 H new ATOM 0 HB VAL A 122 9.717 -6.514 -2.392 1.00 0.38 H new ATOM 0 HG11 VAL A 122 7.946 -6.018 -4.034 1.00 0.43 H new ATOM 0 HG12 VAL A 122 8.815 -7.521 -4.423 1.00 0.43 H new ATOM 0 HG13 VAL A 122 7.196 -7.594 -3.688 1.00 0.43 H new ATOM 0 HG21 VAL A 122 7.680 -5.294 -1.723 1.00 0.36 H new ATOM 0 HG22 VAL A 122 6.921 -6.836 -1.261 1.00 0.36 H new ATOM 0 HG23 VAL A 122 8.355 -6.253 -0.384 1.00 0.36 H new ATOM 1695 N VAL A 123 11.225 -8.809 -2.842 1.00 0.44 N ATOM 1696 CA VAL A 123 12.176 -9.307 -3.820 1.00 0.51 C ATOM 1697 C VAL A 123 12.640 -10.729 -3.474 1.00 0.57 C ATOM 1698 O VAL A 123 13.327 -11.380 -4.258 1.00 0.67 O ATOM 1699 CB VAL A 123 13.385 -8.348 -3.939 1.00 0.50 C ATOM 1700 CG1 VAL A 123 14.413 -8.602 -2.849 1.00 0.48 C ATOM 1701 CG2 VAL A 123 14.009 -8.430 -5.323 1.00 0.59 C ATOM 0 H VAL A 123 11.625 -8.174 -2.151 1.00 0.44 H new ATOM 0 HA VAL A 123 11.673 -9.350 -4.786 1.00 0.51 H new ATOM 0 HB VAL A 123 13.016 -7.332 -3.799 1.00 0.50 H new ATOM 0 HG11 VAL A 123 15.246 -7.909 -2.966 1.00 0.48 H new ATOM 0 HG12 VAL A 123 13.952 -8.453 -1.872 1.00 0.48 H new ATOM 0 HG13 VAL A 123 14.779 -9.626 -2.925 1.00 0.48 H new ATOM 0 HG21 VAL A 123 14.856 -7.747 -5.381 1.00 0.59 H new ATOM 0 HG22 VAL A 123 14.351 -9.448 -5.508 1.00 0.59 H new ATOM 0 HG23 VAL A 123 13.268 -8.154 -6.073 1.00 0.59 H new ATOM 1711 N LYS A 124 12.265 -11.210 -2.292 1.00 0.55 N ATOM 1712 CA LYS A 124 12.539 -12.593 -1.914 1.00 0.61 C ATOM 1713 C LYS A 124 11.393 -13.496 -2.342 1.00 0.63 C ATOM 1714 O LYS A 124 11.552 -14.711 -2.456 1.00 0.72 O ATOM 1715 CB LYS A 124 12.778 -12.726 -0.408 1.00 0.62 C ATOM 1716 CG LYS A 124 14.081 -12.094 0.053 1.00 0.67 C ATOM 1717 CD LYS A 124 14.402 -12.400 1.515 1.00 0.75 C ATOM 1718 CE LYS A 124 13.343 -11.867 2.472 1.00 0.67 C ATOM 1719 NZ LYS A 124 12.223 -12.828 2.666 1.00 1.07 N ATOM 0 H LYS A 124 11.773 -10.666 -1.583 1.00 0.55 H new ATOM 0 HA LYS A 124 13.449 -12.902 -2.428 1.00 0.61 H new ATOM 0 HB2 LYS A 124 11.949 -12.263 0.127 1.00 0.62 H new ATOM 0 HB3 LYS A 124 12.780 -13.782 -0.140 1.00 0.62 H new ATOM 0 HG2 LYS A 124 14.896 -12.452 -0.576 1.00 0.67 H new ATOM 0 HG3 LYS A 124 14.024 -11.014 -0.084 1.00 0.67 H new ATOM 0 HD2 LYS A 124 14.494 -13.478 1.645 1.00 0.75 H new ATOM 0 HD3 LYS A 124 15.368 -11.965 1.770 1.00 0.75 H new ATOM 0 HE2 LYS A 124 13.804 -11.650 3.436 1.00 0.67 H new ATOM 0 HE3 LYS A 124 12.949 -10.926 2.087 1.00 0.67 H new ATOM 0 HZ1 LYS A 124 11.352 -12.434 2.256 1.00 1.07 H new ATOM 0 HZ2 LYS A 124 12.451 -13.727 2.195 1.00 1.07 H new ATOM 0 HZ3 LYS A 124 12.082 -12.996 3.683 1.00 1.07 H new ATOM 1733 N VAL A 125 10.233 -12.899 -2.567 1.00 0.59 N ATOM 1734 CA VAL A 125 9.086 -13.640 -3.062 1.00 0.63 C ATOM 1735 C VAL A 125 9.131 -13.723 -4.582 1.00 0.69 C ATOM 1736 O VAL A 125 8.944 -14.794 -5.160 1.00 0.75 O ATOM 1737 CB VAL A 125 7.757 -13.002 -2.611 1.00 0.60 C ATOM 1738 CG1 VAL A 125 6.571 -13.786 -3.152 1.00 0.66 C ATOM 1739 CG2 VAL A 125 7.696 -12.920 -1.093 1.00 0.59 C ATOM 0 H VAL A 125 10.062 -11.905 -2.415 1.00 0.59 H new ATOM 0 HA VAL A 125 9.135 -14.644 -2.641 1.00 0.63 H new ATOM 0 HB VAL A 125 7.708 -11.991 -3.015 1.00 0.60 H new ATOM 0 HG11 VAL A 125 5.644 -13.318 -2.821 1.00 0.66 H new ATOM 0 HG12 VAL A 125 6.606 -13.793 -4.241 1.00 0.66 H new ATOM 0 HG13 VAL A 125 6.612 -14.810 -2.782 1.00 0.66 H new ATOM 0 HG21 VAL A 125 6.752 -12.467 -0.791 1.00 0.59 H new ATOM 0 HG22 VAL A 125 7.769 -13.922 -0.671 1.00 0.59 H new ATOM 0 HG23 VAL A 125 8.523 -12.311 -0.728 1.00 0.59 H new ATOM 1749 N LYS A 126 9.387 -12.596 -5.229 1.00 0.68 N ATOM 1750 CA LYS A 126 9.534 -12.577 -6.676 1.00 0.76 C ATOM 1751 C LYS A 126 10.747 -11.749 -7.105 1.00 0.75 C ATOM 1752 O LYS A 126 10.638 -10.570 -7.427 1.00 0.73 O ATOM 1753 CB LYS A 126 8.243 -12.107 -7.373 1.00 0.80 C ATOM 1754 CG LYS A 126 7.379 -11.123 -6.584 1.00 0.73 C ATOM 1755 CD LYS A 126 7.796 -9.682 -6.819 1.00 0.71 C ATOM 1756 CE LYS A 126 6.601 -8.743 -6.752 1.00 0.73 C ATOM 1757 NZ LYS A 126 6.955 -7.341 -7.102 1.00 1.12 N ATOM 0 H LYS A 126 9.497 -11.688 -4.778 1.00 0.68 H new ATOM 0 HA LYS A 126 9.714 -13.603 -6.998 1.00 0.76 H new ATOM 0 HB2 LYS A 126 8.513 -11.644 -8.322 1.00 0.80 H new ATOM 0 HB3 LYS A 126 7.639 -12.984 -7.607 1.00 0.80 H new ATOM 0 HG2 LYS A 126 6.334 -11.249 -6.869 1.00 0.73 H new ATOM 0 HG3 LYS A 126 7.449 -11.352 -5.521 1.00 0.73 H new ATOM 0 HD2 LYS A 126 8.534 -9.388 -6.073 1.00 0.71 H new ATOM 0 HD3 LYS A 126 8.276 -9.594 -7.794 1.00 0.71 H new ATOM 0 HE2 LYS A 126 5.826 -9.098 -7.431 1.00 0.73 H new ATOM 0 HE3 LYS A 126 6.180 -8.768 -5.747 1.00 0.73 H new ATOM 0 HZ1 LYS A 126 6.106 -6.842 -7.436 1.00 1.12 H new ATOM 0 HZ2 LYS A 126 7.332 -6.858 -6.262 1.00 1.12 H new ATOM 0 HZ3 LYS A 126 7.674 -7.342 -7.853 1.00 1.12 H new ATOM 1771 N PRO A 127 11.932 -12.377 -7.094 1.00 0.80 N ATOM 1772 CA PRO A 127 13.193 -11.726 -7.465 1.00 0.83 C ATOM 1773 C PRO A 127 13.346 -11.556 -8.972 1.00 0.92 C ATOM 1774 O PRO A 127 14.209 -10.814 -9.439 1.00 0.96 O ATOM 1775 CB PRO A 127 14.252 -12.689 -6.934 1.00 0.87 C ATOM 1776 CG PRO A 127 13.594 -14.024 -6.976 1.00 0.97 C ATOM 1777 CD PRO A 127 12.137 -13.780 -6.692 1.00 0.86 C ATOM 0 HA PRO A 127 13.262 -10.717 -7.059 1.00 0.83 H new ATOM 0 HB2 PRO A 127 15.151 -12.670 -7.550 1.00 0.87 H new ATOM 0 HB3 PRO A 127 14.555 -12.427 -5.920 1.00 0.87 H new ATOM 0 HG2 PRO A 127 13.728 -14.494 -7.950 1.00 0.97 H new ATOM 0 HG3 PRO A 127 14.028 -14.696 -6.236 1.00 0.97 H new ATOM 0 HD2 PRO A 127 11.499 -14.457 -7.261 1.00 0.86 H new ATOM 0 HD3 PRO A 127 11.904 -13.933 -5.638 1.00 0.86 H new ATOM 1785 N HIS A 128 12.509 -12.251 -9.732 1.00 0.99 N ATOM 1786 CA HIS A 128 12.546 -12.158 -11.187 1.00 1.12 C ATOM 1787 C HIS A 128 11.606 -11.059 -11.651 1.00 1.04 C ATOM 1788 O HIS A 128 11.468 -10.793 -12.848 1.00 1.11 O ATOM 1789 CB HIS A 128 12.155 -13.491 -11.836 1.00 1.33 C ATOM 1790 CG HIS A 128 13.095 -14.619 -11.532 1.00 2.00 C ATOM 1791 ND1 HIS A 128 14.070 -15.040 -12.406 1.00 2.75 N ATOM 1792 CD2 HIS A 128 13.196 -15.424 -10.447 1.00 2.49 C ATOM 1793 CE1 HIS A 128 14.730 -16.050 -11.877 1.00 3.56 C ATOM 1794 NE2 HIS A 128 14.220 -16.306 -10.688 1.00 3.37 N ATOM 0 H HIS A 128 11.798 -12.884 -9.367 1.00 0.99 H new ATOM 0 HA HIS A 128 13.565 -11.921 -11.492 1.00 1.12 H new ATOM 0 HB2 HIS A 128 11.155 -13.766 -11.502 1.00 1.33 H new ATOM 0 HB3 HIS A 128 12.104 -13.356 -12.916 1.00 1.33 H new ATOM 0 HD2 HIS A 128 12.585 -15.380 -9.558 1.00 2.49 H new ATOM 0 HE1 HIS A 128 15.550 -16.579 -12.339 1.00 3.56 H new ATOM 0 HE2 HIS A 128 14.535 -17.039 -10.052 1.00 3.37 H new ATOM 1803 N ASP A 129 10.961 -10.423 -10.686 1.00 0.92 N ATOM 1804 CA ASP A 129 10.025 -9.346 -10.958 1.00 0.89 C ATOM 1805 C ASP A 129 10.708 -7.994 -10.810 1.00 0.83 C ATOM 1806 O ASP A 129 11.216 -7.652 -9.740 1.00 0.80 O ATOM 1807 CB ASP A 129 8.825 -9.448 -10.023 1.00 0.89 C ATOM 1808 CG ASP A 129 7.856 -8.303 -10.192 1.00 0.89 C ATOM 1809 OD1 ASP A 129 6.932 -8.414 -11.027 1.00 1.09 O ATOM 1810 OD2 ASP A 129 8.001 -7.293 -9.483 1.00 1.11 O ATOM 0 H ASP A 129 11.072 -10.639 -9.695 1.00 0.92 H new ATOM 0 HA ASP A 129 9.674 -9.438 -11.986 1.00 0.89 H new ATOM 0 HB2 ASP A 129 8.305 -10.388 -10.207 1.00 0.89 H new ATOM 0 HB3 ASP A 129 9.175 -9.473 -8.991 1.00 0.89 H new ATOM 1815 N LYS A 130 10.721 -7.244 -11.901 1.00 0.85 N ATOM 1816 CA LYS A 130 11.396 -5.952 -11.968 1.00 0.89 C ATOM 1817 C LYS A 130 10.888 -4.978 -10.907 1.00 0.84 C ATOM 1818 O LYS A 130 11.661 -4.185 -10.373 1.00 0.84 O ATOM 1819 CB LYS A 130 11.215 -5.347 -13.359 1.00 1.04 C ATOM 1820 CG LYS A 130 9.760 -5.092 -13.731 1.00 1.18 C ATOM 1821 CD LYS A 130 9.608 -4.728 -15.199 1.00 1.44 C ATOM 1822 CE LYS A 130 9.749 -5.946 -16.097 1.00 2.28 C ATOM 1823 NZ LYS A 130 8.670 -6.939 -15.855 1.00 3.05 N ATOM 0 H LYS A 130 10.262 -7.514 -12.771 1.00 0.85 H new ATOM 0 HA LYS A 130 12.454 -6.124 -11.771 1.00 0.89 H new ATOM 0 HB2 LYS A 130 11.764 -4.407 -13.411 1.00 1.04 H new ATOM 0 HB3 LYS A 130 11.658 -6.016 -14.097 1.00 1.04 H new ATOM 0 HG2 LYS A 130 9.168 -5.981 -13.514 1.00 1.18 H new ATOM 0 HG3 LYS A 130 9.363 -4.286 -13.114 1.00 1.18 H new ATOM 0 HD2 LYS A 130 8.633 -4.267 -15.361 1.00 1.44 H new ATOM 0 HD3 LYS A 130 10.360 -3.987 -15.470 1.00 1.44 H new ATOM 0 HE2 LYS A 130 9.727 -5.632 -17.141 1.00 2.28 H new ATOM 0 HE3 LYS A 130 10.718 -6.414 -15.925 1.00 2.28 H new ATOM 0 HZ1 LYS A 130 8.565 -7.549 -16.691 1.00 3.05 H new ATOM 0 HZ2 LYS A 130 8.914 -7.522 -15.029 1.00 3.05 H new ATOM 0 HZ3 LYS A 130 7.775 -6.442 -15.675 1.00 3.05 H new ATOM 1837 N ASP A 131 9.599 -5.048 -10.601 1.00 0.86 N ATOM 1838 CA ASP A 131 8.984 -4.134 -9.642 1.00 0.90 C ATOM 1839 C ASP A 131 9.549 -4.373 -8.250 1.00 0.77 C ATOM 1840 O ASP A 131 9.825 -3.431 -7.502 1.00 0.80 O ATOM 1841 CB ASP A 131 7.467 -4.326 -9.642 1.00 1.05 C ATOM 1842 CG ASP A 131 6.746 -3.409 -8.673 1.00 1.45 C ATOM 1843 OD1 ASP A 131 6.766 -2.178 -8.883 1.00 1.60 O ATOM 1844 OD2 ASP A 131 6.127 -3.923 -7.715 1.00 1.82 O ATOM 0 H ASP A 131 8.956 -5.730 -11.003 1.00 0.86 H new ATOM 0 HA ASP A 131 9.209 -3.108 -9.934 1.00 0.90 H new ATOM 0 HB2 ASP A 131 7.086 -4.152 -10.648 1.00 1.05 H new ATOM 0 HB3 ASP A 131 7.239 -5.362 -9.390 1.00 1.05 H new ATOM 1849 N ALA A 132 9.739 -5.643 -7.922 1.00 0.69 N ATOM 1850 CA ALA A 132 10.344 -6.026 -6.659 1.00 0.62 C ATOM 1851 C ALA A 132 11.795 -5.592 -6.612 1.00 0.59 C ATOM 1852 O ALA A 132 12.230 -4.944 -5.657 1.00 0.56 O ATOM 1853 CB ALA A 132 10.252 -7.527 -6.462 1.00 0.65 C ATOM 0 H ALA A 132 9.480 -6.429 -8.519 1.00 0.69 H new ATOM 0 HA ALA A 132 9.800 -5.528 -5.856 1.00 0.62 H new ATOM 0 HB1 ALA A 132 10.710 -7.798 -5.511 1.00 0.65 H new ATOM 0 HB2 ALA A 132 9.205 -7.830 -6.460 1.00 0.65 H new ATOM 0 HB3 ALA A 132 10.775 -8.033 -7.274 1.00 0.65 H new ATOM 1859 N LYS A 133 12.539 -5.961 -7.653 1.00 0.63 N ATOM 1860 CA LYS A 133 13.951 -5.615 -7.743 1.00 0.66 C ATOM 1861 C LYS A 133 14.135 -4.119 -7.599 1.00 0.65 C ATOM 1862 O LYS A 133 14.790 -3.664 -6.675 1.00 0.63 O ATOM 1863 CB LYS A 133 14.557 -6.050 -9.082 1.00 0.74 C ATOM 1864 CG LYS A 133 14.311 -7.500 -9.438 1.00 0.75 C ATOM 1865 CD LYS A 133 14.942 -7.865 -10.774 1.00 0.95 C ATOM 1866 CE LYS A 133 16.462 -7.877 -10.706 1.00 1.21 C ATOM 1867 NZ LYS A 133 16.978 -9.037 -9.930 1.00 1.93 N ATOM 0 H LYS A 133 12.185 -6.499 -8.444 1.00 0.63 H new ATOM 0 HA LYS A 133 14.461 -6.141 -6.936 1.00 0.66 H new ATOM 0 HB2 LYS A 133 14.150 -5.420 -9.873 1.00 0.74 H new ATOM 0 HB3 LYS A 133 15.632 -5.873 -9.055 1.00 0.74 H new ATOM 0 HG2 LYS A 133 14.718 -8.141 -8.656 1.00 0.75 H new ATOM 0 HG3 LYS A 133 13.238 -7.688 -9.478 1.00 0.75 H new ATOM 0 HD2 LYS A 133 14.586 -8.847 -11.086 1.00 0.95 H new ATOM 0 HD3 LYS A 133 14.619 -7.153 -11.533 1.00 0.95 H new ATOM 0 HE2 LYS A 133 16.869 -7.907 -11.717 1.00 1.21 H new ATOM 0 HE3 LYS A 133 16.811 -6.951 -10.249 1.00 1.21 H new ATOM 0 HZ1 LYS A 133 17.397 -8.700 -9.040 1.00 1.93 H new ATOM 0 HZ2 LYS A 133 16.196 -9.689 -9.719 1.00 1.93 H new ATOM 0 HZ3 LYS A 133 17.702 -9.533 -10.488 1.00 1.93 H new ATOM 1881 N MET A 134 13.503 -3.374 -8.498 1.00 0.68 N ATOM 1882 CA MET A 134 13.743 -1.943 -8.654 1.00 0.72 C ATOM 1883 C MET A 134 13.774 -1.199 -7.325 1.00 0.65 C ATOM 1884 O MET A 134 14.773 -0.561 -6.992 1.00 0.68 O ATOM 1885 CB MET A 134 12.671 -1.327 -9.557 1.00 0.78 C ATOM 1886 CG MET A 134 12.820 0.174 -9.738 1.00 0.84 C ATOM 1887 SD MET A 134 11.546 0.882 -10.801 1.00 0.97 S ATOM 1888 CE MET A 134 11.866 0.019 -12.339 1.00 1.61 C ATOM 0 H MET A 134 12.806 -3.747 -9.143 1.00 0.68 H new ATOM 0 HA MET A 134 14.728 -1.838 -9.108 1.00 0.72 H new ATOM 0 HB2 MET A 134 12.710 -1.808 -10.534 1.00 0.78 H new ATOM 0 HB3 MET A 134 11.688 -1.538 -9.137 1.00 0.78 H new ATOM 0 HG2 MET A 134 12.782 0.658 -8.762 1.00 0.84 H new ATOM 0 HG3 MET A 134 13.801 0.388 -10.163 1.00 0.84 H new ATOM 0 HE1 MET A 134 11.425 0.575 -13.167 1.00 1.61 H new ATOM 0 HE2 MET A 134 12.942 -0.066 -12.491 1.00 1.61 H new ATOM 0 HE3 MET A 134 11.426 -0.977 -12.296 1.00 1.61 H new ATOM 1898 N LYS A 135 12.690 -1.276 -6.571 1.00 0.59 N ATOM 1899 CA LYS A 135 12.595 -0.547 -5.318 1.00 0.54 C ATOM 1900 C LYS A 135 13.496 -1.136 -4.244 1.00 0.48 C ATOM 1901 O LYS A 135 13.958 -0.420 -3.357 1.00 0.46 O ATOM 1902 CB LYS A 135 11.151 -0.487 -4.847 1.00 0.54 C ATOM 1903 CG LYS A 135 10.455 0.800 -5.252 1.00 0.65 C ATOM 1904 CD LYS A 135 10.404 0.955 -6.763 1.00 0.76 C ATOM 1905 CE LYS A 135 10.872 2.335 -7.198 1.00 1.05 C ATOM 1906 NZ LYS A 135 10.330 3.409 -6.326 1.00 1.94 N ATOM 0 H LYS A 135 11.868 -1.833 -6.803 1.00 0.59 H new ATOM 0 HA LYS A 135 12.944 0.469 -5.502 1.00 0.54 H new ATOM 0 HB2 LYS A 135 10.604 -1.336 -5.257 1.00 0.54 H new ATOM 0 HB3 LYS A 135 11.123 -0.584 -3.762 1.00 0.54 H new ATOM 0 HG2 LYS A 135 9.442 0.809 -4.850 1.00 0.65 H new ATOM 0 HG3 LYS A 135 10.978 1.651 -4.816 1.00 0.65 H new ATOM 0 HD2 LYS A 135 11.030 0.194 -7.229 1.00 0.76 H new ATOM 0 HD3 LYS A 135 9.385 0.788 -7.113 1.00 0.76 H new ATOM 0 HE2 LYS A 135 11.961 2.370 -7.181 1.00 1.05 H new ATOM 0 HE3 LYS A 135 10.563 2.514 -8.228 1.00 1.05 H new ATOM 0 HZ1 LYS A 135 10.252 4.292 -6.870 1.00 1.94 H new ATOM 0 HZ2 LYS A 135 9.390 3.132 -5.978 1.00 1.94 H new ATOM 0 HZ3 LYS A 135 10.969 3.556 -5.518 1.00 1.94 H new ATOM 1920 N TYR A 136 13.760 -2.432 -4.323 1.00 0.48 N ATOM 1921 CA TYR A 136 14.737 -3.044 -3.436 1.00 0.46 C ATOM 1922 C TYR A 136 16.118 -2.463 -3.720 1.00 0.47 C ATOM 1923 O TYR A 136 16.863 -2.133 -2.803 1.00 0.48 O ATOM 1924 CB TYR A 136 14.758 -4.567 -3.601 1.00 0.48 C ATOM 1925 CG TYR A 136 15.908 -5.229 -2.877 1.00 0.48 C ATOM 1926 CD1 TYR A 136 15.864 -5.449 -1.509 1.00 0.48 C ATOM 1927 CD2 TYR A 136 17.045 -5.627 -3.570 1.00 0.54 C ATOM 1928 CE1 TYR A 136 16.921 -6.046 -0.850 1.00 0.51 C ATOM 1929 CE2 TYR A 136 18.106 -6.224 -2.921 1.00 0.57 C ATOM 1930 CZ TYR A 136 18.038 -6.432 -1.558 1.00 0.54 C ATOM 1931 OH TYR A 136 19.090 -7.030 -0.899 1.00 0.59 O ATOM 0 H TYR A 136 13.318 -3.072 -4.983 1.00 0.48 H new ATOM 0 HA TYR A 136 14.455 -2.825 -2.406 1.00 0.46 H new ATOM 0 HB2 TYR A 136 13.819 -4.979 -3.231 1.00 0.48 H new ATOM 0 HB3 TYR A 136 14.817 -4.810 -4.662 1.00 0.48 H new ATOM 0 HD1 TYR A 136 14.990 -5.149 -0.950 1.00 0.48 H new ATOM 0 HD2 TYR A 136 17.099 -5.466 -4.637 1.00 0.54 H new ATOM 0 HE1 TYR A 136 16.872 -6.210 0.216 1.00 0.51 H new ATOM 0 HE2 TYR A 136 18.983 -6.526 -3.475 1.00 0.57 H new ATOM 0 HH TYR A 136 19.800 -7.243 -1.541 1.00 0.59 H new ATOM 1941 N GLN A 137 16.442 -2.322 -5.003 1.00 0.49 N ATOM 1942 CA GLN A 137 17.728 -1.775 -5.422 1.00 0.51 C ATOM 1943 C GLN A 137 17.809 -0.310 -5.025 1.00 0.53 C ATOM 1944 O GLN A 137 18.852 0.171 -4.584 1.00 0.57 O ATOM 1945 CB GLN A 137 17.904 -1.913 -6.939 1.00 0.55 C ATOM 1946 CG GLN A 137 17.463 -3.265 -7.476 1.00 0.61 C ATOM 1947 CD GLN A 137 18.220 -4.425 -6.883 1.00 1.17 C ATOM 1948 OE1 GLN A 137 19.392 -4.316 -6.527 1.00 2.09 O ATOM 1949 NE2 GLN A 137 17.540 -5.546 -6.767 1.00 1.24 N ATOM 0 H GLN A 137 15.827 -2.581 -5.774 1.00 0.49 H new ATOM 0 HA GLN A 137 18.525 -2.332 -4.929 1.00 0.51 H new ATOM 0 HB2 GLN A 137 17.333 -1.129 -7.437 1.00 0.55 H new ATOM 0 HB3 GLN A 137 18.952 -1.754 -7.192 1.00 0.55 H new ATOM 0 HG2 GLN A 137 16.399 -3.396 -7.277 1.00 0.61 H new ATOM 0 HG3 GLN A 137 17.589 -3.275 -8.559 1.00 0.61 H new ATOM 0 HE21 GLN A 137 16.569 -5.588 -7.077 1.00 1.24 H new ATOM 0 HE22 GLN A 137 17.984 -6.373 -6.367 1.00 1.24 H new ATOM 1958 N GLU A 138 16.681 0.377 -5.185 1.00 0.53 N ATOM 1959 CA GLU A 138 16.543 1.778 -4.813 1.00 0.57 C ATOM 1960 C GLU A 138 16.779 1.976 -3.317 1.00 0.54 C ATOM 1961 O GLU A 138 17.540 2.853 -2.911 1.00 0.60 O ATOM 1962 CB GLU A 138 15.150 2.272 -5.217 1.00 0.60 C ATOM 1963 CG GLU A 138 14.742 3.597 -4.594 1.00 0.69 C ATOM 1964 CD GLU A 138 13.488 4.163 -5.224 1.00 1.33 C ATOM 1965 OE1 GLU A 138 13.593 4.878 -6.242 1.00 1.46 O ATOM 1966 OE2 GLU A 138 12.384 3.903 -4.695 1.00 2.04 O ATOM 0 H GLU A 138 15.832 -0.028 -5.580 1.00 0.53 H new ATOM 0 HA GLU A 138 17.298 2.362 -5.340 1.00 0.57 H new ATOM 0 HB2 GLU A 138 15.114 2.370 -6.302 1.00 0.60 H new ATOM 0 HB3 GLU A 138 14.416 1.515 -4.941 1.00 0.60 H new ATOM 0 HG2 GLU A 138 14.579 3.459 -3.525 1.00 0.69 H new ATOM 0 HG3 GLU A 138 15.556 4.314 -4.702 1.00 0.69 H new ATOM 1973 N CYS A 139 16.136 1.160 -2.500 1.00 0.47 N ATOM 1974 CA CYS A 139 16.313 1.252 -1.063 1.00 0.44 C ATOM 1975 C CYS A 139 17.724 0.818 -0.677 1.00 0.43 C ATOM 1976 O CYS A 139 18.389 1.472 0.127 1.00 0.42 O ATOM 1977 CB CYS A 139 15.283 0.390 -0.337 1.00 0.42 C ATOM 1978 SG CYS A 139 15.251 0.644 1.445 1.00 1.06 S ATOM 0 H CYS A 139 15.491 0.431 -2.805 1.00 0.47 H new ATOM 0 HA CYS A 139 16.167 2.290 -0.765 1.00 0.44 H new ATOM 0 HB2 CYS A 139 14.294 0.603 -0.743 1.00 0.42 H new ATOM 0 HB3 CYS A 139 15.493 -0.660 -0.541 1.00 0.42 H new ATOM 0 HG CYS A 139 14.783 1.828 1.706 1.00 1.06 H new ATOM 1984 N ASN A 140 18.183 -0.276 -1.286 1.00 0.45 N ATOM 1985 CA ASN A 140 19.499 -0.835 -0.996 1.00 0.48 C ATOM 1986 C ASN A 140 20.592 0.199 -1.230 1.00 0.52 C ATOM 1987 O ASN A 140 21.411 0.461 -0.348 1.00 0.54 O ATOM 1988 CB ASN A 140 19.763 -2.073 -1.863 1.00 0.52 C ATOM 1989 CG ASN A 140 21.024 -2.809 -1.457 1.00 0.60 C ATOM 1990 OD1 ASN A 140 21.428 -2.779 -0.297 1.00 1.22 O ATOM 1991 ND2 ASN A 140 21.650 -3.480 -2.410 1.00 1.13 N ATOM 0 H ASN A 140 17.656 -0.794 -1.989 1.00 0.45 H new ATOM 0 HA ASN A 140 19.513 -1.127 0.054 1.00 0.48 H new ATOM 0 HB2 ASN A 140 18.912 -2.750 -1.792 1.00 0.52 H new ATOM 0 HB3 ASN A 140 19.843 -1.771 -2.907 1.00 0.52 H new ATOM 0 HD21 ASN A 140 22.502 -3.998 -2.194 1.00 1.13 H new ATOM 0 HD22 ASN A 140 21.281 -3.479 -3.361 1.00 1.13 H new ATOM 1998 N LYS A 141 20.588 0.803 -2.416 1.00 0.56 N ATOM 1999 CA LYS A 141 21.591 1.805 -2.758 1.00 0.63 C ATOM 2000 C LYS A 141 21.547 2.963 -1.774 1.00 0.60 C ATOM 2001 O LYS A 141 22.584 3.483 -1.384 1.00 0.65 O ATOM 2002 CB LYS A 141 21.398 2.338 -4.183 1.00 0.70 C ATOM 2003 CG LYS A 141 20.048 2.989 -4.408 1.00 0.69 C ATOM 2004 CD LYS A 141 20.067 3.977 -5.557 1.00 0.81 C ATOM 2005 CE LYS A 141 18.673 4.532 -5.807 1.00 0.85 C ATOM 2006 NZ LYS A 141 18.656 5.586 -6.853 1.00 1.15 N ATOM 0 H LYS A 141 19.906 0.617 -3.151 1.00 0.56 H new ATOM 0 HA LYS A 141 22.564 1.317 -2.703 1.00 0.63 H new ATOM 0 HB2 LYS A 141 22.183 3.063 -4.401 1.00 0.70 H new ATOM 0 HB3 LYS A 141 21.518 1.516 -4.889 1.00 0.70 H new ATOM 0 HG2 LYS A 141 19.305 2.217 -4.608 1.00 0.69 H new ATOM 0 HG3 LYS A 141 19.738 3.501 -3.497 1.00 0.69 H new ATOM 0 HD2 LYS A 141 20.754 4.792 -5.332 1.00 0.81 H new ATOM 0 HD3 LYS A 141 20.437 3.488 -6.458 1.00 0.81 H new ATOM 0 HE2 LYS A 141 18.011 3.719 -6.105 1.00 0.85 H new ATOM 0 HE3 LYS A 141 18.277 4.941 -4.878 1.00 0.85 H new ATOM 0 HZ1 LYS A 141 17.683 5.930 -6.984 1.00 1.15 H new ATOM 0 HZ2 LYS A 141 19.266 6.376 -6.560 1.00 1.15 H new ATOM 0 HZ3 LYS A 141 19.007 5.192 -7.749 1.00 1.15 H new ATOM 2020 N ILE A 142 20.344 3.353 -1.362 1.00 0.54 N ATOM 2021 CA ILE A 142 20.182 4.485 -0.464 1.00 0.52 C ATOM 2022 C ILE A 142 20.732 4.183 0.927 1.00 0.49 C ATOM 2023 O ILE A 142 21.298 5.060 1.591 1.00 0.51 O ATOM 2024 CB ILE A 142 18.720 4.958 -0.393 1.00 0.50 C ATOM 2025 CG1 ILE A 142 18.367 5.674 -1.699 1.00 0.58 C ATOM 2026 CG2 ILE A 142 18.515 5.881 0.796 1.00 0.49 C ATOM 2027 CD1 ILE A 142 16.975 6.271 -1.715 1.00 0.60 C ATOM 0 H ILE A 142 19.471 2.901 -1.636 1.00 0.54 H new ATOM 0 HA ILE A 142 20.768 5.304 -0.880 1.00 0.52 H new ATOM 0 HB ILE A 142 18.064 4.097 -0.262 1.00 0.50 H new ATOM 0 HG12 ILE A 142 19.094 6.467 -1.875 1.00 0.58 H new ATOM 0 HG13 ILE A 142 18.459 4.969 -2.525 1.00 0.58 H new ATOM 0 HG21 ILE A 142 17.475 6.205 0.830 1.00 0.49 H new ATOM 0 HG22 ILE A 142 18.759 5.349 1.716 1.00 0.49 H new ATOM 0 HG23 ILE A 142 19.163 6.752 0.697 1.00 0.49 H new ATOM 0 HD11 ILE A 142 16.800 6.761 -2.673 1.00 0.60 H new ATOM 0 HD12 ILE A 142 16.238 5.480 -1.572 1.00 0.60 H new ATOM 0 HD13 ILE A 142 16.883 7.002 -0.912 1.00 0.60 H new ATOM 2039 N VAL A 143 20.605 2.941 1.362 1.00 0.46 N ATOM 2040 CA VAL A 143 21.221 2.530 2.610 1.00 0.47 C ATOM 2041 C VAL A 143 22.735 2.721 2.527 1.00 0.56 C ATOM 2042 O VAL A 143 23.377 3.131 3.497 1.00 0.59 O ATOM 2043 CB VAL A 143 20.892 1.065 2.960 1.00 0.47 C ATOM 2044 CG1 VAL A 143 21.615 0.650 4.228 1.00 0.55 C ATOM 2045 CG2 VAL A 143 19.393 0.883 3.120 1.00 0.41 C ATOM 0 H VAL A 143 20.088 2.208 0.876 1.00 0.46 H new ATOM 0 HA VAL A 143 20.814 3.156 3.404 1.00 0.47 H new ATOM 0 HB VAL A 143 21.232 0.428 2.143 1.00 0.47 H new ATOM 0 HG11 VAL A 143 21.373 -0.387 4.462 1.00 0.55 H new ATOM 0 HG12 VAL A 143 22.691 0.747 4.082 1.00 0.55 H new ATOM 0 HG13 VAL A 143 21.301 1.291 5.052 1.00 0.55 H new ATOM 0 HG21 VAL A 143 19.177 -0.156 3.367 1.00 0.41 H new ATOM 0 HG22 VAL A 143 19.031 1.529 3.920 1.00 0.41 H new ATOM 0 HG23 VAL A 143 18.893 1.146 2.188 1.00 0.41 H new ATOM 2055 N LYS A 144 23.287 2.466 1.344 1.00 0.63 N ATOM 2056 CA LYS A 144 24.718 2.634 1.103 1.00 0.74 C ATOM 2057 C LYS A 144 25.081 4.107 1.033 1.00 0.76 C ATOM 2058 O LYS A 144 26.204 4.491 1.372 1.00 0.85 O ATOM 2059 CB LYS A 144 25.127 1.962 -0.207 1.00 0.84 C ATOM 2060 CG LYS A 144 24.507 0.597 -0.406 1.00 0.83 C ATOM 2061 CD LYS A 144 24.828 0.037 -1.781 1.00 1.10 C ATOM 2062 CE LYS A 144 24.312 -1.379 -1.954 1.00 1.57 C ATOM 2063 NZ LYS A 144 24.628 -1.909 -3.306 1.00 2.23 N ATOM 0 H LYS A 144 22.762 2.140 0.533 1.00 0.63 H new ATOM 0 HA LYS A 144 25.249 2.168 1.933 1.00 0.74 H new ATOM 0 HB2 LYS A 144 24.844 2.606 -1.040 1.00 0.84 H new ATOM 0 HB3 LYS A 144 26.212 1.866 -0.233 1.00 0.84 H new ATOM 0 HG2 LYS A 144 24.873 -0.086 0.361 1.00 0.83 H new ATOM 0 HG3 LYS A 144 23.426 0.665 -0.283 1.00 0.83 H new ATOM 0 HD2 LYS A 144 24.389 0.678 -2.545 1.00 1.10 H new ATOM 0 HD3 LYS A 144 25.907 0.051 -1.935 1.00 1.10 H new ATOM 0 HE2 LYS A 144 24.755 -2.025 -1.196 1.00 1.57 H new ATOM 0 HE3 LYS A 144 23.233 -1.397 -1.797 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 24.262 -2.879 -3.393 1.00 2.23 H new ATOM 0 HZ2 LYS A 144 24.185 -1.306 -4.028 1.00 2.23 H new ATOM 0 HZ3 LYS A 144 25.659 -1.914 -3.445 1.00 2.23 H new ATOM 2077 N GLN A 145 24.133 4.927 0.583 1.00 0.70 N ATOM 2078 CA GLN A 145 24.338 6.369 0.527 1.00 0.74 C ATOM 2079 C GLN A 145 24.652 6.870 1.920 1.00 0.75 C ATOM 2080 O GLN A 145 25.450 7.785 2.120 1.00 0.84 O ATOM 2081 CB GLN A 145 23.094 7.083 0.014 1.00 0.71 C ATOM 2082 CG GLN A 145 22.501 6.427 -1.208 1.00 0.72 C ATOM 2083 CD GLN A 145 23.297 6.663 -2.471 1.00 0.94 C ATOM 2084 OE1 GLN A 145 23.953 7.692 -2.628 1.00 1.36 O ATOM 2085 NE2 GLN A 145 23.243 5.706 -3.381 1.00 1.27 N ATOM 0 H GLN A 145 23.219 4.617 0.253 1.00 0.70 H new ATOM 0 HA GLN A 145 25.161 6.577 -0.156 1.00 0.74 H new ATOM 0 HB2 GLN A 145 22.345 7.110 0.805 1.00 0.71 H new ATOM 0 HB3 GLN A 145 23.346 8.117 -0.221 1.00 0.71 H new ATOM 0 HG2 GLN A 145 22.425 5.354 -1.032 1.00 0.72 H new ATOM 0 HG3 GLN A 145 21.487 6.799 -1.353 1.00 0.72 H new ATOM 0 HE21 GLN A 145 22.686 4.869 -3.209 1.00 1.27 H new ATOM 0 HE22 GLN A 145 23.758 5.804 -4.256 1.00 1.27 H new ATOM 2094 N LYS A 146 23.999 6.233 2.876 1.00 0.67 N ATOM 2095 CA LYS A 146 24.178 6.540 4.275 1.00 0.70 C ATOM 2096 C LYS A 146 25.532 6.045 4.765 1.00 0.84 C ATOM 2097 O LYS A 146 26.453 6.829 4.996 1.00 0.94 O ATOM 2098 CB LYS A 146 23.084 5.868 5.095 1.00 0.58 C ATOM 2099 CG LYS A 146 21.670 6.204 4.661 1.00 0.58 C ATOM 2100 CD LYS A 146 20.622 5.567 5.570 1.00 0.64 C ATOM 2101 CE LYS A 146 20.794 4.056 5.717 1.00 1.40 C ATOM 2102 NZ LYS A 146 21.873 3.701 6.680 1.00 1.73 N ATOM 0 H LYS A 146 23.328 5.486 2.698 1.00 0.67 H new ATOM 0 HA LYS A 146 24.126 7.622 4.396 1.00 0.70 H new ATOM 0 HB2 LYS A 146 23.219 4.788 5.040 1.00 0.58 H new ATOM 0 HB3 LYS A 146 23.206 6.152 6.140 1.00 0.58 H new ATOM 0 HG2 LYS A 146 21.539 7.286 4.661 1.00 0.58 H new ATOM 0 HG3 LYS A 146 21.515 5.864 3.637 1.00 0.58 H new ATOM 0 HD2 LYS A 146 20.675 6.030 6.555 1.00 0.64 H new ATOM 0 HD3 LYS A 146 19.629 5.777 5.172 1.00 0.64 H new ATOM 0 HE2 LYS A 146 19.854 3.616 6.050 1.00 1.40 H new ATOM 0 HE3 LYS A 146 21.022 3.622 4.743 1.00 1.40 H new ATOM 0 HZ1 LYS A 146 22.659 3.249 6.170 1.00 1.73 H new ATOM 0 HZ2 LYS A 146 22.216 4.563 7.151 1.00 1.73 H new ATOM 0 HZ3 LYS A 146 21.499 3.043 7.393 1.00 1.73 H new