USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 963 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 95 MET CE :methyl -159:sc= -2.35 (180deg=-5.08!) USER MOD Set 1.2: A 97 TYR OH : rot -78:sc= 1.3 USER MOD Set 2.1: A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 124 HIS : no HD1:sc= 0.368 K(o=0.37,f=-1.9!) USER MOD Set 3.1: A 57 THR OG1 : rot -160:sc= 0 USER MOD Set 3.2: A 61 HIS : no HD1:sc= -0.12 X(o=-0.12,f=0.037) USER MOD Set 4.1: A 24 SER OG : rot -68:sc= 0.115 USER MOD Set 4.2: A 40 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 10 THR OG1 : rot -140:sc= -0.0969 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HE2:sc= -1.53 X(o=-1.5,f=-2!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -9.38! C(o=-9.4!,f=-11!) USER MOD Single : A 28 ASN : amide:sc= -0.039 K(o=-0.039,f=-4.5!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 30:sc= -1.39 USER MOD Single : A 36 THR OG1 : rot 38:sc= 0.393 USER MOD Single : A 38 MET CE :methyl 153:sc= -0.0912 (180deg=-0.854) USER MOD Single : A 41 TYR OH : rot -162:sc= 0.406 USER MOD Single : A 43 SER OG : rot -125:sc= 1.26 USER MOD Single : A 44 GLN : amide:sc= -0.335 X(o=-0.33,f=-0.25) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.365 K(o=-0.37,f=-3.1!) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 52 GLN :FLIP amide:sc= -1.93! C(o=-3.6!,f=-1.9!) USER MOD Single : A 53 MET CE :methyl -123:sc= -0.575 (180deg=-1.27) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 130:sc= -0.777 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS :FLIP no HD1:sc= -3.93! F(o=-4.8,f=-3.9!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 165:sc= -0.459 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -1.64 K(o=-1.6,f=-4.7!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= -1.49 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -160:sc= -0.117 (180deg=-0.68) USER MOD Single : A 120 THR OG1 : rot -40:sc= 0.772 USER MOD Single : A 130 LYS NZ :NH3+ -161:sc= -0.0528 (180deg=-0.374) USER MOD Single : A 134 SER OG : rot -140:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ 168:sc= -1.15! (180deg=-1.38) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 106 N PRO A 9 5.134 -4.406 7.403 1.00 0.00 N ATOM 107 CA PRO A 9 3.799 -4.414 6.703 1.00 0.00 C ATOM 108 C PRO A 9 2.980 -5.647 7.074 1.00 0.00 C ATOM 109 O PRO A 9 3.538 -6.702 7.389 1.00 0.00 O ATOM 110 CB PRO A 9 4.166 -4.434 5.214 1.00 0.00 C ATOM 111 CG PRO A 9 5.537 -3.856 5.152 1.00 0.00 C ATOM 112 CD PRO A 9 6.243 -4.339 6.409 1.00 0.00 C ATOM 0 HA PRO A 9 3.182 -3.559 6.979 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.146 -5.448 4.815 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.462 -3.846 4.625 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.062 -4.188 4.256 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.502 -2.767 5.116 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.713 -5.311 6.261 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.027 -3.650 6.723 1.00 0.00 H new ATOM 120 N THR A 10 1.653 -5.491 7.067 1.00 0.00 N ATOM 121 CA THR A 10 0.741 -6.575 7.442 1.00 0.00 C ATOM 122 C THR A 10 -0.029 -7.080 6.215 1.00 0.00 C ATOM 123 O THR A 10 -0.551 -6.284 5.426 1.00 0.00 O ATOM 124 CB THR A 10 -0.229 -6.082 8.537 1.00 0.00 C ATOM 125 OG1 THR A 10 0.529 -5.648 9.664 1.00 0.00 O ATOM 126 CG2 THR A 10 -1.172 -7.219 8.972 1.00 0.00 C ATOM 0 H THR A 10 1.186 -4.623 6.805 1.00 0.00 H new ATOM 0 HA THR A 10 1.321 -7.409 7.838 1.00 0.00 H new ATOM 0 HB THR A 10 -0.826 -5.261 8.141 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.080 -5.930 10.488 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.849 -6.855 9.744 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.751 -7.560 8.114 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.585 -8.048 9.366 1.00 0.00 H new ATOM 134 N THR A 11 -0.052 -8.412 6.042 1.00 0.00 N ATOM 135 CA THR A 11 -0.715 -9.037 4.891 1.00 0.00 C ATOM 136 C THR A 11 -1.861 -9.966 5.343 1.00 0.00 C ATOM 137 O THR A 11 -1.666 -10.837 6.195 1.00 0.00 O ATOM 138 CB THR A 11 0.328 -9.825 4.057 1.00 0.00 C ATOM 139 OG1 THR A 11 1.355 -8.936 3.644 1.00 0.00 O ATOM 140 CG2 THR A 11 -0.319 -10.455 2.805 1.00 0.00 C ATOM 0 H THR A 11 0.381 -9.074 6.685 1.00 0.00 H new ATOM 0 HA THR A 11 -1.152 -8.253 4.273 1.00 0.00 H new ATOM 0 HB THR A 11 0.733 -10.624 4.678 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.020 -9.427 3.117 1.00 0.00 H new ATOM 0 HG21 THR A 11 0.437 -11.001 2.240 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.110 -11.141 3.110 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.742 -9.669 2.179 1.00 0.00 H new ATOM 148 N VAL A 12 -3.051 -9.780 4.733 1.00 0.00 N ATOM 149 CA VAL A 12 -4.225 -10.617 5.047 1.00 0.00 C ATOM 150 C VAL A 12 -4.899 -11.140 3.759 1.00 0.00 C ATOM 151 O VAL A 12 -5.116 -10.387 2.810 1.00 0.00 O ATOM 152 CB VAL A 12 -5.234 -9.835 5.935 1.00 0.00 C ATOM 153 CG1 VAL A 12 -6.485 -10.692 6.225 1.00 0.00 C ATOM 154 CG2 VAL A 12 -4.560 -9.489 7.268 1.00 0.00 C ATOM 0 H VAL A 12 -3.222 -9.064 4.027 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.882 -11.484 5.611 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.536 -8.931 5.407 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.178 -10.126 6.848 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.972 -10.954 5.286 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.189 -11.602 6.747 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.260 -8.940 7.898 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.260 -10.407 7.773 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.680 -8.873 7.082 1.00 0.00 H new ATOM 164 N ALA A 13 -5.226 -12.438 3.757 1.00 0.00 N ATOM 165 CA ALA A 13 -5.872 -13.084 2.607 1.00 0.00 C ATOM 166 C ALA A 13 -7.395 -13.043 2.735 1.00 0.00 C ATOM 167 O ALA A 13 -7.932 -13.076 3.848 1.00 0.00 O ATOM 168 CB ALA A 13 -5.425 -14.541 2.510 1.00 0.00 C ATOM 0 H ALA A 13 -5.053 -13.065 4.543 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.578 -12.540 1.710 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.908 -15.014 1.655 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.343 -14.582 2.384 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.704 -15.069 3.422 1.00 0.00 H new ATOM 174 N PHE A 14 -8.089 -13.017 1.582 1.00 0.00 N ATOM 175 CA PHE A 14 -9.554 -13.022 1.569 1.00 0.00 C ATOM 176 C PHE A 14 -10.082 -13.830 0.376 1.00 0.00 C ATOM 177 O PHE A 14 -9.344 -14.082 -0.582 1.00 0.00 O ATOM 178 CB PHE A 14 -10.107 -11.574 1.565 1.00 0.00 C ATOM 179 CG PHE A 14 -9.797 -10.857 0.254 1.00 0.00 C ATOM 180 CD1 PHE A 14 -10.758 -10.818 -0.763 1.00 0.00 C ATOM 181 CD2 PHE A 14 -8.559 -10.232 0.068 1.00 0.00 C ATOM 182 CE1 PHE A 14 -10.483 -10.150 -1.964 1.00 0.00 C ATOM 183 CE2 PHE A 14 -8.284 -9.567 -1.135 1.00 0.00 C ATOM 184 CZ PHE A 14 -9.244 -9.524 -2.149 1.00 0.00 C ATOM 0 H PHE A 14 -7.659 -12.993 0.658 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.907 -13.507 2.479 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -11.185 -11.595 1.722 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.675 -11.017 2.396 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.713 -11.303 -0.622 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.816 -10.262 0.851 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -11.226 -10.118 -2.747 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.327 -9.087 -1.278 1.00 0.00 H new ATOM 0 HZ PHE A 14 -9.031 -9.009 -3.074 1.00 0.00 H new ATOM 194 N ASP A 15 -11.348 -14.271 0.465 1.00 0.00 N ATOM 195 CA ASP A 15 -11.947 -15.093 -0.589 1.00 0.00 C ATOM 196 C ASP A 15 -12.922 -14.298 -1.445 1.00 0.00 C ATOM 197 O ASP A 15 -13.896 -13.733 -0.938 1.00 0.00 O ATOM 198 CB ASP A 15 -12.674 -16.298 0.018 1.00 0.00 C ATOM 199 CG ASP A 15 -11.725 -17.090 0.912 1.00 0.00 C ATOM 200 OD1 ASP A 15 -11.678 -16.801 2.096 1.00 0.00 O ATOM 201 OD2 ASP A 15 -11.059 -17.974 0.398 1.00 0.00 O ATOM 0 H ASP A 15 -11.968 -14.072 1.250 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.133 -15.436 -1.227 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.533 -15.960 0.597 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.057 -16.939 -0.776 1.00 0.00 H new ATOM 206 N VAL A 16 -12.700 -14.348 -2.760 1.00 0.00 N ATOM 207 CA VAL A 16 -13.597 -13.731 -3.728 1.00 0.00 C ATOM 208 C VAL A 16 -14.563 -14.802 -4.221 1.00 0.00 C ATOM 209 O VAL A 16 -14.151 -15.759 -4.883 1.00 0.00 O ATOM 210 CB VAL A 16 -12.777 -13.142 -4.910 1.00 0.00 C ATOM 211 CG1 VAL A 16 -13.704 -12.526 -5.989 1.00 0.00 C ATOM 212 CG2 VAL A 16 -11.817 -12.060 -4.381 1.00 0.00 C ATOM 0 H VAL A 16 -11.896 -14.816 -3.178 1.00 0.00 H new ATOM 0 HA VAL A 16 -14.154 -12.914 -3.269 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.212 -13.953 -5.369 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -13.099 -12.123 -6.801 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -14.370 -13.296 -6.379 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.296 -11.725 -5.546 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.242 -11.647 -5.210 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -12.391 -11.265 -3.906 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -11.137 -12.502 -3.652 1.00 0.00 H new ATOM 222 N ARG A 17 -15.835 -14.662 -3.846 1.00 0.00 N ATOM 223 CA ARG A 17 -16.858 -15.647 -4.199 1.00 0.00 C ATOM 224 C ARG A 17 -17.898 -15.051 -5.189 1.00 0.00 C ATOM 225 O ARG A 17 -18.544 -14.052 -4.864 1.00 0.00 O ATOM 226 CB ARG A 17 -17.554 -16.151 -2.926 1.00 0.00 C ATOM 227 CG ARG A 17 -16.520 -16.851 -2.022 1.00 0.00 C ATOM 228 CD ARG A 17 -17.150 -17.171 -0.666 1.00 0.00 C ATOM 229 NE ARG A 17 -18.269 -18.119 -0.827 1.00 0.00 N ATOM 230 CZ ARG A 17 -19.124 -18.439 0.178 1.00 0.00 C ATOM 231 NH1 ARG A 17 -19.006 -17.902 1.379 1.00 0.00 N ATOM 232 NH2 ARG A 17 -20.080 -19.299 -0.046 1.00 0.00 N ATOM 0 H ARG A 17 -16.182 -13.875 -3.297 1.00 0.00 H new ATOM 0 HA ARG A 17 -16.371 -16.485 -4.698 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -18.013 -15.317 -2.395 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -18.355 -16.843 -3.186 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -16.170 -17.768 -2.496 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -15.649 -16.210 -1.886 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -16.399 -17.596 -0.000 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -17.507 -16.253 -0.199 1.00 0.00 H new ATOM 0 HE ARG A 17 -18.407 -18.556 -1.738 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -18.261 -17.232 1.567 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -19.660 -18.158 2.119 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -20.179 -19.723 -0.968 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -20.728 -19.547 0.701 1.00 0.00 H new ATOM 246 N PRO A 18 -18.061 -15.629 -6.410 1.00 0.00 N ATOM 247 CA PRO A 18 -19.024 -15.096 -7.429 1.00 0.00 C ATOM 248 C PRO A 18 -20.479 -15.388 -7.073 1.00 0.00 C ATOM 249 O PRO A 18 -20.764 -16.133 -6.131 1.00 0.00 O ATOM 250 CB PRO A 18 -18.629 -15.818 -8.709 1.00 0.00 C ATOM 251 CG PRO A 18 -18.087 -17.125 -8.252 1.00 0.00 C ATOM 252 CD PRO A 18 -17.358 -16.838 -6.945 1.00 0.00 C ATOM 0 HA PRO A 18 -18.969 -14.010 -7.505 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -19.486 -15.953 -9.368 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -17.883 -15.253 -9.268 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.888 -17.849 -8.102 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.409 -17.548 -8.993 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -17.425 -17.679 -6.255 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.298 -16.645 -7.111 1.00 0.00 H new ATOM 260 N GLY A 19 -21.391 -14.782 -7.836 1.00 0.00 N ATOM 261 CA GLY A 19 -22.831 -14.954 -7.618 1.00 0.00 C ATOM 262 C GLY A 19 -23.618 -13.641 -7.830 1.00 0.00 C ATOM 263 O GLY A 19 -24.824 -13.593 -7.566 1.00 0.00 O ATOM 0 H GLY A 19 -21.158 -14.165 -8.614 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -23.211 -15.716 -8.298 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -23.002 -15.318 -6.605 1.00 0.00 H new ATOM 267 N GLY A 20 -22.932 -12.586 -8.316 1.00 0.00 N ATOM 268 CA GLY A 20 -23.578 -11.294 -8.568 1.00 0.00 C ATOM 269 C GLY A 20 -23.964 -10.586 -7.262 1.00 0.00 C ATOM 270 O GLY A 20 -24.921 -9.803 -7.235 1.00 0.00 O ATOM 0 H GLY A 20 -21.937 -12.609 -8.539 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -22.905 -10.657 -9.142 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -24.469 -11.446 -9.177 1.00 0.00 H new ATOM 274 N VAL A 21 -23.224 -10.879 -6.183 1.00 0.00 N ATOM 275 CA VAL A 21 -23.497 -10.286 -4.869 1.00 0.00 C ATOM 276 C VAL A 21 -22.344 -9.373 -4.461 1.00 0.00 C ATOM 277 O VAL A 21 -21.174 -9.766 -4.524 1.00 0.00 O ATOM 278 CB VAL A 21 -23.715 -11.400 -3.808 1.00 0.00 C ATOM 279 CG1 VAL A 21 -24.021 -10.784 -2.428 1.00 0.00 C ATOM 280 CG2 VAL A 21 -24.891 -12.292 -4.229 1.00 0.00 C ATOM 0 H VAL A 21 -22.433 -11.523 -6.196 1.00 0.00 H new ATOM 0 HA VAL A 21 -24.408 -9.691 -4.931 1.00 0.00 H new ATOM 0 HB VAL A 21 -22.803 -11.992 -3.739 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -24.170 -11.581 -1.699 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -23.185 -10.158 -2.115 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -24.924 -10.177 -2.493 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -25.041 -13.072 -3.483 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -25.795 -11.688 -4.310 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -24.673 -12.750 -5.194 1.00 0.00 H new ATOM 290 N VAL A 22 -22.692 -8.151 -4.056 1.00 0.00 N ATOM 291 CA VAL A 22 -21.698 -7.163 -3.643 1.00 0.00 C ATOM 292 C VAL A 22 -21.177 -7.515 -2.254 1.00 0.00 C ATOM 293 O VAL A 22 -21.949 -7.610 -1.295 1.00 0.00 O ATOM 294 CB VAL A 22 -22.325 -5.739 -3.649 1.00 0.00 C ATOM 295 CG1 VAL A 22 -21.288 -4.687 -3.211 1.00 0.00 C ATOM 296 CG2 VAL A 22 -22.817 -5.396 -5.064 1.00 0.00 C ATOM 0 H VAL A 22 -23.656 -7.823 -4.006 1.00 0.00 H new ATOM 0 HA VAL A 22 -20.864 -7.172 -4.345 1.00 0.00 H new ATOM 0 HB VAL A 22 -23.161 -5.729 -2.949 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -21.746 -3.698 -3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -20.941 -4.915 -2.203 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -20.442 -4.702 -3.898 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -23.256 -4.398 -5.065 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -21.977 -5.424 -5.758 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -23.568 -6.123 -5.374 1.00 0.00 H new ATOM 306 N HIS A 23 -19.864 -7.719 -2.167 1.00 0.00 N ATOM 307 CA HIS A 23 -19.218 -8.081 -0.899 1.00 0.00 C ATOM 308 C HIS A 23 -18.177 -7.047 -0.515 1.00 0.00 C ATOM 309 O HIS A 23 -17.419 -6.572 -1.366 1.00 0.00 O ATOM 310 CB HIS A 23 -18.543 -9.454 -1.005 1.00 0.00 C ATOM 311 CG HIS A 23 -19.559 -10.513 -1.350 1.00 0.00 C ATOM 312 ND1 HIS A 23 -20.537 -10.925 -0.458 1.00 0.00 N ATOM 313 CD2 HIS A 23 -19.754 -11.253 -2.487 1.00 0.00 C ATOM 314 CE1 HIS A 23 -21.270 -11.873 -1.073 1.00 0.00 C ATOM 315 NE2 HIS A 23 -20.833 -12.110 -2.311 1.00 0.00 N ATOM 0 H HIS A 23 -19.224 -7.641 -2.957 1.00 0.00 H new ATOM 0 HA HIS A 23 -19.992 -8.118 -0.133 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -17.764 -9.426 -1.767 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -18.057 -9.701 -0.061 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -20.676 -10.575 0.490 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -19.158 -11.181 -3.385 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -22.109 -12.379 -0.619 1.00 0.00 H new ATOM 323 N SER A 24 -18.137 -6.711 0.776 1.00 0.00 N ATOM 324 CA SER A 24 -17.176 -5.728 1.287 1.00 0.00 C ATOM 325 C SER A 24 -16.175 -6.369 2.245 1.00 0.00 C ATOM 326 O SER A 24 -16.556 -6.981 3.247 1.00 0.00 O ATOM 327 CB SER A 24 -17.905 -4.586 1.995 1.00 0.00 C ATOM 328 OG SER A 24 -18.750 -3.922 1.065 1.00 0.00 O ATOM 0 H SER A 24 -18.756 -7.103 1.486 1.00 0.00 H new ATOM 0 HA SER A 24 -16.627 -5.333 0.432 1.00 0.00 H new ATOM 0 HB2 SER A 24 -18.494 -4.975 2.826 1.00 0.00 H new ATOM 0 HB3 SER A 24 -17.185 -3.884 2.415 1.00 0.00 H new ATOM 0 HG SER A 24 -18.202 -3.450 0.404 1.00 0.00 H new ATOM 334 N PHE A 25 -14.894 -6.175 1.944 1.00 0.00 N ATOM 335 CA PHE A 25 -13.799 -6.674 2.778 1.00 0.00 C ATOM 336 C PHE A 25 -12.819 -5.556 3.071 1.00 0.00 C ATOM 337 O PHE A 25 -12.644 -4.655 2.252 1.00 0.00 O ATOM 338 CB PHE A 25 -13.079 -7.837 2.090 1.00 0.00 C ATOM 339 CG PHE A 25 -14.024 -9.003 1.964 1.00 0.00 C ATOM 340 CD1 PHE A 25 -14.770 -9.179 0.797 1.00 0.00 C ATOM 341 CD2 PHE A 25 -14.157 -9.906 3.025 1.00 0.00 C ATOM 342 CE1 PHE A 25 -15.650 -10.261 0.690 1.00 0.00 C ATOM 343 CE2 PHE A 25 -15.036 -10.988 2.916 1.00 0.00 C ATOM 344 CZ PHE A 25 -15.783 -11.165 1.748 1.00 0.00 C ATOM 0 H PHE A 25 -14.583 -5.668 1.115 1.00 0.00 H new ATOM 0 HA PHE A 25 -14.218 -7.037 3.716 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -12.728 -7.531 1.105 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -12.200 -8.127 2.666 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -14.668 -8.481 -0.021 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -13.581 -9.767 3.928 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -16.228 -10.398 -0.212 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -15.138 -11.686 3.734 1.00 0.00 H new ATOM 0 HZ PHE A 25 -16.463 -12.000 1.663 1.00 0.00 H new ATOM 354 N SER A 26 -12.191 -5.606 4.252 1.00 0.00 N ATOM 355 CA SER A 26 -11.241 -4.570 4.648 1.00 0.00 C ATOM 356 C SER A 26 -10.115 -5.142 5.494 1.00 0.00 C ATOM 357 O SER A 26 -10.225 -6.247 6.032 1.00 0.00 O ATOM 358 CB SER A 26 -11.959 -3.461 5.414 1.00 0.00 C ATOM 359 OG SER A 26 -12.451 -3.980 6.644 1.00 0.00 O ATOM 0 H SER A 26 -12.324 -6.346 4.941 1.00 0.00 H new ATOM 0 HA SER A 26 -10.803 -4.155 3.740 1.00 0.00 H new ATOM 0 HB2 SER A 26 -11.276 -2.633 5.603 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.782 -3.066 4.818 1.00 0.00 H new ATOM 0 HG SER A 26 -12.911 -3.270 7.138 1.00 0.00 H new ATOM 365 N HIS A 27 -9.020 -4.382 5.585 1.00 0.00 N ATOM 366 CA HIS A 27 -7.844 -4.802 6.340 1.00 0.00 C ATOM 367 C HIS A 27 -7.286 -3.644 7.175 1.00 0.00 C ATOM 368 O HIS A 27 -7.100 -2.532 6.671 1.00 0.00 O ATOM 369 CB HIS A 27 -6.764 -5.343 5.368 1.00 0.00 C ATOM 370 CG HIS A 27 -5.539 -5.871 6.118 1.00 0.00 C ATOM 371 ND1 HIS A 27 -4.357 -6.171 5.460 1.00 0.00 N ATOM 372 CD2 HIS A 27 -5.298 -6.143 7.452 1.00 0.00 C ATOM 373 CE1 HIS A 27 -3.474 -6.598 6.382 1.00 0.00 C ATOM 374 NE2 HIS A 27 -3.997 -6.598 7.610 1.00 0.00 N ATOM 0 H HIS A 27 -8.927 -3.468 5.141 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.136 -5.597 7.026 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.189 -6.141 4.759 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.459 -4.550 4.686 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -4.187 -6.084 4.458 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.015 -6.020 8.251 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -2.463 -6.904 6.155 1.00 0.00 H new ATOM 382 N ASN A 28 -7.024 -3.926 8.454 1.00 0.00 N ATOM 383 CA ASN A 28 -6.484 -2.932 9.381 1.00 0.00 C ATOM 384 C ASN A 28 -5.191 -3.427 9.995 1.00 0.00 C ATOM 385 O ASN A 28 -4.848 -4.609 9.875 1.00 0.00 O ATOM 386 CB ASN A 28 -7.512 -2.610 10.484 1.00 0.00 C ATOM 387 CG ASN A 28 -7.757 -3.834 11.391 1.00 0.00 C ATOM 388 OD1 ASN A 28 -7.434 -4.969 11.025 1.00 0.00 O ATOM 389 ND2 ASN A 28 -8.311 -3.661 12.561 1.00 0.00 N ATOM 0 H ASN A 28 -7.179 -4.843 8.872 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.275 -2.019 8.824 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -7.155 -1.774 11.085 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -8.452 -2.297 10.029 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.476 -4.462 13.171 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -8.578 -2.725 12.865 1.00 0.00 H new ATOM 396 N VAL A 29 -4.455 -2.507 10.617 1.00 0.00 N ATOM 397 CA VAL A 29 -3.167 -2.830 11.212 1.00 0.00 C ATOM 398 C VAL A 29 -3.110 -2.350 12.678 1.00 0.00 C ATOM 399 O VAL A 29 -3.782 -1.380 13.043 1.00 0.00 O ATOM 400 CB VAL A 29 -2.048 -2.216 10.350 1.00 0.00 C ATOM 401 CG1 VAL A 29 -2.104 -0.686 10.392 1.00 0.00 C ATOM 402 CG2 VAL A 29 -0.697 -2.700 10.841 1.00 0.00 C ATOM 0 H VAL A 29 -4.733 -1.531 10.720 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.026 -3.911 11.234 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.193 -2.535 9.318 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.304 -0.276 9.776 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.067 -0.347 10.010 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.981 -0.345 11.420 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.091 -2.263 10.228 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.558 -2.399 11.879 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.652 -3.787 10.769 1.00 0.00 H new ATOM 412 N GLY A 30 -2.380 -3.097 13.524 1.00 0.00 N ATOM 413 CA GLY A 30 -2.332 -2.810 14.966 1.00 0.00 C ATOM 414 C GLY A 30 -2.050 -1.317 15.270 1.00 0.00 C ATOM 415 O GLY A 30 -2.964 -0.603 15.693 1.00 0.00 O ATOM 0 H GLY A 30 -1.819 -3.899 13.236 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.280 -3.096 15.421 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.559 -3.423 15.429 1.00 0.00 H new ATOM 419 N PRO A 31 -0.813 -0.814 15.056 1.00 0.00 N ATOM 420 CA PRO A 31 -0.486 0.635 15.317 1.00 0.00 C ATOM 421 C PRO A 31 -1.415 1.567 14.545 1.00 0.00 C ATOM 422 O PRO A 31 -1.913 2.557 15.089 1.00 0.00 O ATOM 423 CB PRO A 31 0.953 0.769 14.809 1.00 0.00 C ATOM 424 CG PRO A 31 1.521 -0.601 14.936 1.00 0.00 C ATOM 425 CD PRO A 31 0.386 -1.546 14.571 1.00 0.00 C ATOM 0 HA PRO A 31 -0.604 0.907 16.366 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.979 1.115 13.776 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.518 1.489 15.401 1.00 0.00 H new ATOM 0 HG2 PRO A 31 2.374 -0.736 14.270 1.00 0.00 H new ATOM 0 HG3 PRO A 31 1.876 -0.787 15.950 1.00 0.00 H new ATOM 0 HD2 PRO A 31 0.342 -1.731 13.498 1.00 0.00 H new ATOM 0 HD3 PRO A 31 0.493 -2.516 15.057 1.00 0.00 H new ATOM 433 N GLY A 32 -1.656 1.221 13.280 1.00 0.00 N ATOM 434 CA GLY A 32 -2.547 1.993 12.416 1.00 0.00 C ATOM 435 C GLY A 32 -3.971 1.443 12.461 1.00 0.00 C ATOM 436 O GLY A 32 -4.618 1.303 11.418 1.00 0.00 O ATOM 0 H GLY A 32 -1.243 0.405 12.829 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.547 3.037 12.729 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.177 1.968 11.391 1.00 0.00 H new ATOM 440 N ASP A 33 -4.449 1.119 13.668 1.00 0.00 N ATOM 441 CA ASP A 33 -5.800 0.562 13.838 1.00 0.00 C ATOM 442 C ASP A 33 -6.856 1.534 13.303 1.00 0.00 C ATOM 443 O ASP A 33 -7.866 1.113 12.729 1.00 0.00 O ATOM 444 CB ASP A 33 -6.066 0.268 15.326 1.00 0.00 C ATOM 445 CG ASP A 33 -7.388 -0.507 15.524 1.00 0.00 C ATOM 446 OD1 ASP A 33 -8.221 -0.499 14.624 1.00 0.00 O ATOM 447 OD2 ASP A 33 -7.543 -1.097 16.580 1.00 0.00 O ATOM 0 H ASP A 33 -3.926 1.231 14.537 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.863 -0.367 13.271 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.239 -0.311 15.737 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.106 1.205 15.881 1.00 0.00 H new ATOM 452 N LYS A 34 -6.599 2.831 13.478 1.00 0.00 N ATOM 453 CA LYS A 34 -7.503 3.879 13.004 1.00 0.00 C ATOM 454 C LYS A 34 -7.636 3.832 11.483 1.00 0.00 C ATOM 455 O LYS A 34 -8.720 4.056 10.935 1.00 0.00 O ATOM 456 CB LYS A 34 -6.954 5.241 13.410 1.00 0.00 C ATOM 457 CG LYS A 34 -7.065 5.409 14.925 1.00 0.00 C ATOM 458 CD LYS A 34 -6.350 6.697 15.358 1.00 0.00 C ATOM 459 CE LYS A 34 -7.177 7.928 14.951 1.00 0.00 C ATOM 460 NZ LYS A 34 -6.494 9.164 15.426 1.00 0.00 N ATOM 0 H LYS A 34 -5.765 3.182 13.949 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.484 3.717 13.450 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.913 5.332 13.099 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.508 6.033 12.905 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.114 5.447 15.220 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.623 4.550 15.429 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.199 6.692 16.438 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.363 6.745 14.898 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.295 7.958 13.868 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.177 7.865 15.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.053 9.997 15.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.403 9.134 16.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.548 9.225 14.997 1.00 0.00 H new ATOM 474 N TYR A 35 -6.510 3.578 10.810 1.00 0.00 N ATOM 475 CA TYR A 35 -6.471 3.543 9.337 1.00 0.00 C ATOM 476 C TYR A 35 -6.840 2.157 8.823 1.00 0.00 C ATOM 477 O TYR A 35 -6.455 1.148 9.423 1.00 0.00 O ATOM 478 CB TYR A 35 -5.065 3.910 8.839 1.00 0.00 C ATOM 479 CG TYR A 35 -4.727 5.322 9.264 1.00 0.00 C ATOM 480 CD1 TYR A 35 -4.031 5.539 10.460 1.00 0.00 C ATOM 481 CD2 TYR A 35 -5.113 6.406 8.472 1.00 0.00 C ATOM 482 CE1 TYR A 35 -3.723 6.841 10.863 1.00 0.00 C ATOM 483 CE2 TYR A 35 -4.804 7.709 8.875 1.00 0.00 C ATOM 484 CZ TYR A 35 -4.108 7.926 10.072 1.00 0.00 C ATOM 485 OH TYR A 35 -3.804 9.209 10.471 1.00 0.00 O ATOM 0 H TYR A 35 -5.612 3.393 11.257 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.194 4.266 8.959 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.332 3.213 9.244 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.020 3.826 7.753 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.732 4.700 11.071 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.649 6.238 7.550 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.187 7.008 11.786 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.102 8.548 8.264 1.00 0.00 H new ATOM 0 HH TYR A 35 -2.976 9.201 10.994 1.00 0.00 H new ATOM 495 N THR A 36 -7.586 2.107 7.704 1.00 0.00 N ATOM 496 CA THR A 36 -7.993 0.824 7.121 1.00 0.00 C ATOM 497 C THR A 36 -8.198 0.917 5.609 1.00 0.00 C ATOM 498 O THR A 36 -8.485 1.992 5.074 1.00 0.00 O ATOM 499 CB THR A 36 -9.263 0.289 7.808 1.00 0.00 C ATOM 500 OG1 THR A 36 -9.612 -0.968 7.244 1.00 0.00 O ATOM 501 CG2 THR A 36 -10.425 1.274 7.631 1.00 0.00 C ATOM 0 H THR A 36 -7.913 2.928 7.195 1.00 0.00 H new ATOM 0 HA THR A 36 -7.178 0.121 7.295 1.00 0.00 H new ATOM 0 HB THR A 36 -9.065 0.172 8.873 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.798 -1.479 7.055 1.00 0.00 H new ATOM 0 HG21 THR A 36 -11.314 0.880 8.123 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.160 2.233 8.075 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.628 1.410 6.569 1.00 0.00 H new ATOM 509 N CYS A 37 -8.069 -0.231 4.938 1.00 0.00 N ATOM 510 CA CYS A 37 -8.258 -0.314 3.489 1.00 0.00 C ATOM 511 C CYS A 37 -9.537 -1.094 3.206 1.00 0.00 C ATOM 512 O CYS A 37 -9.836 -2.068 3.905 1.00 0.00 O ATOM 513 CB CYS A 37 -7.064 -1.036 2.822 1.00 0.00 C ATOM 514 SG CYS A 37 -5.485 -0.383 3.457 1.00 0.00 S ATOM 0 H CYS A 37 -7.833 -1.120 5.379 1.00 0.00 H new ATOM 0 HA CYS A 37 -8.326 0.694 3.081 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.125 -2.107 3.016 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.110 -0.904 1.741 1.00 0.00 H new ATOM 519 N MET A 38 -10.305 -0.652 2.203 1.00 0.00 N ATOM 520 CA MET A 38 -11.575 -1.309 1.861 1.00 0.00 C ATOM 521 C MET A 38 -11.605 -1.730 0.412 1.00 0.00 C ATOM 522 O MET A 38 -11.097 -1.024 -0.466 1.00 0.00 O ATOM 523 CB MET A 38 -12.752 -0.384 2.144 1.00 0.00 C ATOM 524 CG MET A 38 -12.834 -0.114 3.641 1.00 0.00 C ATOM 525 SD MET A 38 -14.171 1.061 3.972 1.00 0.00 S ATOM 526 CE MET A 38 -15.549 -0.056 3.611 1.00 0.00 C ATOM 0 H MET A 38 -10.073 0.151 1.618 1.00 0.00 H new ATOM 0 HA MET A 38 -11.657 -2.200 2.484 1.00 0.00 H new ATOM 0 HB2 MET A 38 -12.631 0.553 1.600 1.00 0.00 H new ATOM 0 HB3 MET A 38 -13.679 -0.839 1.794 1.00 0.00 H new ATOM 0 HG2 MET A 38 -13.012 -1.045 4.180 1.00 0.00 H new ATOM 0 HG3 MET A 38 -11.886 0.286 4.001 1.00 0.00 H new ATOM 0 HE1 MET A 38 -16.427 0.255 4.177 1.00 0.00 H new ATOM 0 HE2 MET A 38 -15.774 -0.024 2.545 1.00 0.00 H new ATOM 0 HE3 MET A 38 -15.277 -1.073 3.894 1.00 0.00 H new ATOM 536 N PHE A 39 -12.212 -2.888 0.169 1.00 0.00 N ATOM 537 CA PHE A 39 -12.331 -3.430 -1.174 1.00 0.00 C ATOM 538 C PHE A 39 -13.706 -4.073 -1.391 1.00 0.00 C ATOM 539 O PHE A 39 -13.991 -5.150 -0.857 1.00 0.00 O ATOM 540 CB PHE A 39 -11.201 -4.453 -1.412 1.00 0.00 C ATOM 541 CG PHE A 39 -11.232 -4.980 -2.844 1.00 0.00 C ATOM 542 CD1 PHE A 39 -10.967 -4.118 -3.915 1.00 0.00 C ATOM 543 CD2 PHE A 39 -11.513 -6.333 -3.088 1.00 0.00 C ATOM 544 CE1 PHE A 39 -10.986 -4.607 -5.227 1.00 0.00 C ATOM 545 CE2 PHE A 39 -11.532 -6.818 -4.401 1.00 0.00 C ATOM 546 CZ PHE A 39 -11.270 -5.956 -5.470 1.00 0.00 C ATOM 0 H PHE A 39 -12.631 -3.471 0.894 1.00 0.00 H new ATOM 0 HA PHE A 39 -12.237 -2.617 -1.894 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.236 -3.987 -1.213 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -11.304 -5.283 -0.713 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -10.748 -3.077 -3.729 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -11.715 -7.000 -2.263 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -10.781 -3.942 -6.053 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -11.749 -7.859 -4.588 1.00 0.00 H new ATOM 0 HZ PHE A 39 -11.287 -6.331 -6.483 1.00 0.00 H new ATOM 556 N THR A 40 -14.525 -3.427 -2.225 1.00 0.00 N ATOM 557 CA THR A 40 -15.851 -3.952 -2.577 1.00 0.00 C ATOM 558 C THR A 40 -15.815 -4.478 -4.013 1.00 0.00 C ATOM 559 O THR A 40 -15.308 -3.802 -4.911 1.00 0.00 O ATOM 560 CB THR A 40 -16.932 -2.849 -2.430 1.00 0.00 C ATOM 561 OG1 THR A 40 -16.956 -2.391 -1.087 1.00 0.00 O ATOM 562 CG2 THR A 40 -18.322 -3.406 -2.787 1.00 0.00 C ATOM 0 H THR A 40 -14.295 -2.539 -2.670 1.00 0.00 H new ATOM 0 HA THR A 40 -16.109 -4.765 -1.899 1.00 0.00 H new ATOM 0 HB THR A 40 -16.688 -2.030 -3.107 1.00 0.00 H new ATOM 0 HG1 THR A 40 -17.637 -1.693 -0.992 1.00 0.00 H new ATOM 0 HG21 THR A 40 -19.068 -2.619 -2.678 1.00 0.00 H new ATOM 0 HG22 THR A 40 -18.318 -3.762 -3.817 1.00 0.00 H new ATOM 0 HG23 THR A 40 -18.566 -4.232 -2.119 1.00 0.00 H new ATOM 570 N TYR A 41 -16.306 -5.709 -4.211 1.00 0.00 N ATOM 571 CA TYR A 41 -16.266 -6.338 -5.534 1.00 0.00 C ATOM 572 C TYR A 41 -17.489 -7.220 -5.803 1.00 0.00 C ATOM 573 O TYR A 41 -18.154 -7.694 -4.878 1.00 0.00 O ATOM 574 CB TYR A 41 -14.974 -7.174 -5.685 1.00 0.00 C ATOM 575 CG TYR A 41 -14.935 -8.285 -4.639 1.00 0.00 C ATOM 576 CD1 TYR A 41 -15.538 -9.522 -4.908 1.00 0.00 C ATOM 577 CD2 TYR A 41 -14.298 -8.072 -3.412 1.00 0.00 C ATOM 578 CE1 TYR A 41 -15.504 -10.541 -3.948 1.00 0.00 C ATOM 579 CE2 TYR A 41 -14.264 -9.095 -2.453 1.00 0.00 C ATOM 580 CZ TYR A 41 -14.866 -10.327 -2.722 1.00 0.00 C ATOM 581 OH TYR A 41 -14.833 -11.331 -1.778 1.00 0.00 O ATOM 0 H TYR A 41 -16.730 -6.281 -3.481 1.00 0.00 H new ATOM 0 HA TYR A 41 -16.277 -5.534 -6.270 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -14.927 -7.605 -6.685 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -14.101 -6.530 -5.574 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -16.029 -9.689 -5.856 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -13.832 -7.120 -3.203 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -15.971 -11.493 -4.155 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -13.772 -8.930 -1.506 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.622 -10.948 -0.901 1.00 0.00 H new ATOM 591 N ALA A 42 -17.725 -7.474 -7.091 1.00 0.00 N ATOM 592 CA ALA A 42 -18.807 -8.352 -7.539 1.00 0.00 C ATOM 593 C ALA A 42 -18.295 -9.261 -8.655 1.00 0.00 C ATOM 594 O ALA A 42 -17.609 -8.793 -9.577 1.00 0.00 O ATOM 595 CB ALA A 42 -19.989 -7.522 -8.039 1.00 0.00 C ATOM 0 H ALA A 42 -17.173 -7.078 -7.852 1.00 0.00 H new ATOM 0 HA ALA A 42 -19.143 -8.963 -6.701 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -20.787 -8.187 -8.369 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -20.356 -6.888 -7.232 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -19.668 -6.898 -8.873 1.00 0.00 H new ATOM 601 N SER A 43 -18.590 -10.567 -8.545 1.00 0.00 N ATOM 602 CA SER A 43 -18.104 -11.548 -9.519 1.00 0.00 C ATOM 603 C SER A 43 -19.197 -12.510 -9.954 1.00 0.00 C ATOM 604 O SER A 43 -20.190 -12.701 -9.251 1.00 0.00 O ATOM 605 CB SER A 43 -16.931 -12.328 -8.935 1.00 0.00 C ATOM 606 OG SER A 43 -15.885 -11.426 -8.610 1.00 0.00 O ATOM 0 H SER A 43 -19.159 -10.962 -7.796 1.00 0.00 H new ATOM 0 HA SER A 43 -17.778 -10.997 -10.401 1.00 0.00 H new ATOM 0 HB2 SER A 43 -17.248 -12.872 -8.045 1.00 0.00 H new ATOM 0 HB3 SER A 43 -16.578 -13.069 -9.653 1.00 0.00 H new ATOM 0 HG SER A 43 -15.060 -11.706 -9.060 1.00 0.00 H new ATOM 612 N GLN A 44 -18.990 -13.119 -11.123 1.00 0.00 N ATOM 613 CA GLN A 44 -19.933 -14.080 -11.682 1.00 0.00 C ATOM 614 C GLN A 44 -19.201 -15.348 -12.110 1.00 0.00 C ATOM 615 O GLN A 44 -18.185 -15.281 -12.809 1.00 0.00 O ATOM 616 CB GLN A 44 -20.649 -13.464 -12.884 1.00 0.00 C ATOM 617 CG GLN A 44 -21.840 -14.338 -13.294 1.00 0.00 C ATOM 618 CD GLN A 44 -22.909 -14.330 -12.197 1.00 0.00 C ATOM 619 OE1 GLN A 44 -23.327 -15.390 -11.729 1.00 0.00 O ATOM 620 NE2 GLN A 44 -23.363 -13.190 -11.745 1.00 0.00 N ATOM 0 H GLN A 44 -18.167 -12.959 -11.704 1.00 0.00 H new ATOM 0 HA GLN A 44 -20.668 -14.338 -10.919 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -20.993 -12.460 -12.636 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -19.955 -13.366 -13.719 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -22.265 -13.970 -14.228 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -21.505 -15.359 -13.477 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -23.016 -12.313 -12.133 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -24.064 -13.178 -11.004 1.00 0.00 H new ATOM 629 N GLY A 45 -19.711 -16.495 -11.664 1.00 0.00 N ATOM 630 CA GLY A 45 -19.105 -17.785 -11.967 1.00 0.00 C ATOM 631 C GLY A 45 -19.425 -18.783 -10.866 1.00 0.00 C ATOM 632 O GLY A 45 -20.156 -18.459 -9.923 1.00 0.00 O ATOM 0 H GLY A 45 -20.550 -16.554 -11.087 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -19.476 -18.155 -12.923 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -18.025 -17.674 -12.066 1.00 0.00 H new ATOM 636 N GLY A 46 -18.888 -19.998 -10.993 1.00 0.00 N ATOM 637 CA GLY A 46 -19.133 -21.055 -10.004 1.00 0.00 C ATOM 638 C GLY A 46 -17.889 -21.383 -9.151 1.00 0.00 C ATOM 639 O GLY A 46 -17.918 -22.331 -8.358 1.00 0.00 O ATOM 0 H GLY A 46 -18.283 -20.276 -11.766 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -19.947 -20.748 -9.347 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -19.462 -21.958 -10.519 1.00 0.00 H new ATOM 643 N THR A 47 -16.793 -20.616 -9.332 1.00 0.00 N ATOM 644 CA THR A 47 -15.552 -20.865 -8.583 1.00 0.00 C ATOM 645 C THR A 47 -15.049 -19.585 -7.907 1.00 0.00 C ATOM 646 O THR A 47 -14.948 -18.534 -8.546 1.00 0.00 O ATOM 647 CB THR A 47 -14.473 -21.432 -9.532 1.00 0.00 C ATOM 648 OG1 THR A 47 -14.977 -22.599 -10.166 1.00 0.00 O ATOM 649 CG2 THR A 47 -13.208 -21.804 -8.739 1.00 0.00 C ATOM 0 H THR A 47 -16.745 -19.831 -9.982 1.00 0.00 H new ATOM 0 HA THR A 47 -15.762 -21.595 -7.801 1.00 0.00 H new ATOM 0 HB THR A 47 -14.222 -20.675 -10.275 1.00 0.00 H new ATOM 0 HG1 THR A 47 -14.297 -22.962 -10.771 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.456 -22.202 -9.420 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.815 -20.916 -8.243 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.456 -22.557 -7.991 1.00 0.00 H new ATOM 657 N ASN A 48 -14.702 -19.702 -6.618 1.00 0.00 N ATOM 658 CA ASN A 48 -14.169 -18.576 -5.862 1.00 0.00 C ATOM 659 C ASN A 48 -12.679 -18.390 -6.168 1.00 0.00 C ATOM 660 O ASN A 48 -12.111 -19.131 -6.978 1.00 0.00 O ATOM 661 CB ASN A 48 -14.382 -18.799 -4.350 1.00 0.00 C ATOM 662 CG ASN A 48 -13.512 -19.960 -3.824 1.00 0.00 C ATOM 663 OD1 ASN A 48 -12.982 -20.759 -4.605 1.00 0.00 O ATOM 664 ND2 ASN A 48 -13.335 -20.091 -2.538 1.00 0.00 N ATOM 0 H ASN A 48 -14.783 -20.567 -6.083 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.701 -17.672 -6.159 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -14.138 -17.885 -3.808 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.433 -19.013 -4.157 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.760 -20.852 -2.177 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.772 -19.432 -1.893 1.00 0.00 H new ATOM 671 N GLU A 49 -12.059 -17.391 -5.529 1.00 0.00 N ATOM 672 CA GLU A 49 -10.646 -17.101 -5.745 1.00 0.00 C ATOM 673 C GLU A 49 -9.996 -16.621 -4.454 1.00 0.00 C ATOM 674 O GLU A 49 -10.641 -15.983 -3.625 1.00 0.00 O ATOM 675 CB GLU A 49 -10.493 -16.034 -6.840 1.00 0.00 C ATOM 676 CG GLU A 49 -9.002 -15.809 -7.182 1.00 0.00 C ATOM 677 CD GLU A 49 -8.359 -17.086 -7.764 1.00 0.00 C ATOM 678 OE1 GLU A 49 -9.085 -17.923 -8.292 1.00 0.00 O ATOM 679 OE2 GLU A 49 -7.149 -17.202 -7.672 1.00 0.00 O ATOM 0 H GLU A 49 -12.518 -16.773 -4.860 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.147 -18.016 -6.064 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.033 -16.344 -7.734 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.940 -15.097 -6.507 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.911 -14.994 -7.900 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.463 -15.505 -6.285 1.00 0.00 H new ATOM 686 N GLN A 50 -8.709 -16.909 -4.316 1.00 0.00 N ATOM 687 CA GLN A 50 -7.943 -16.475 -3.152 1.00 0.00 C ATOM 688 C GLN A 50 -7.105 -15.260 -3.509 1.00 0.00 C ATOM 689 O GLN A 50 -6.464 -15.229 -4.557 1.00 0.00 O ATOM 690 CB GLN A 50 -7.046 -17.608 -2.651 1.00 0.00 C ATOM 691 CG GLN A 50 -7.921 -18.751 -2.131 1.00 0.00 C ATOM 692 CD GLN A 50 -7.046 -19.892 -1.620 1.00 0.00 C ATOM 693 OE1 GLN A 50 -6.019 -19.651 -0.986 1.00 0.00 O ATOM 694 NE2 GLN A 50 -7.396 -21.126 -1.853 1.00 0.00 N ATOM 0 H GLN A 50 -8.170 -17.443 -4.998 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.636 -16.206 -2.355 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.404 -17.963 -3.457 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.391 -17.246 -1.858 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -8.566 -18.390 -1.330 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.573 -19.111 -2.927 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.247 -21.324 -2.379 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.818 -21.893 -1.510 1.00 0.00 H new ATOM 703 N TRP A 51 -7.166 -14.237 -2.657 1.00 0.00 N ATOM 704 CA TRP A 51 -6.449 -12.978 -2.891 1.00 0.00 C ATOM 705 C TRP A 51 -5.612 -12.562 -1.694 1.00 0.00 C ATOM 706 O TRP A 51 -6.012 -12.747 -0.543 1.00 0.00 O ATOM 707 CB TRP A 51 -7.438 -11.868 -3.233 1.00 0.00 C ATOM 708 CG TRP A 51 -7.997 -12.079 -4.602 1.00 0.00 C ATOM 709 CD1 TRP A 51 -8.887 -13.036 -4.944 1.00 0.00 C ATOM 710 CD2 TRP A 51 -7.728 -11.313 -5.811 1.00 0.00 C ATOM 711 NE1 TRP A 51 -9.173 -12.912 -6.296 1.00 0.00 N ATOM 712 CE2 TRP A 51 -8.480 -11.860 -6.871 1.00 0.00 C ATOM 713 CE3 TRP A 51 -6.901 -10.205 -6.086 1.00 0.00 C ATOM 714 CZ2 TRP A 51 -8.424 -11.329 -8.160 1.00 0.00 C ATOM 715 CZ3 TRP A 51 -6.840 -9.666 -7.381 1.00 0.00 C ATOM 716 CH2 TRP A 51 -7.599 -10.228 -8.417 1.00 0.00 C ATOM 0 H TRP A 51 -7.707 -14.254 -1.793 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.771 -13.144 -3.728 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -8.245 -11.852 -2.501 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -6.941 -10.899 -3.180 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -9.306 -13.774 -4.276 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -9.815 -13.521 -6.804 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.310 -9.768 -5.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -9.013 -11.764 -8.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -6.206 -8.815 -7.580 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -7.547 -9.812 -9.412 1.00 0.00 H new ATOM 727 N GLN A 52 -4.463 -11.955 -1.989 1.00 0.00 N ATOM 728 CA GLN A 52 -3.557 -11.447 -0.962 1.00 0.00 C ATOM 729 C GLN A 52 -3.661 -9.937 -0.861 1.00 0.00 C ATOM 730 O GLN A 52 -3.654 -9.235 -1.877 1.00 0.00 O ATOM 731 CB GLN A 52 -2.111 -11.824 -1.299 1.00 0.00 C ATOM 732 CG GLN A 52 -1.899 -13.315 -1.065 1.00 0.00 C ATOM 733 CD GLN A 52 -1.834 -13.586 0.427 1.00 0.00 C ATOM 734 OE1 GLN A 52 -2.777 -14.280 0.998 1.00 0.00 O flip ATOM 735 NE2 GLN A 52 -0.902 -13.136 1.097 1.00 0.00 N flip ATOM 0 H GLN A 52 -4.136 -11.802 -2.943 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.841 -11.894 -0.009 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.893 -11.575 -2.338 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.422 -11.248 -0.682 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.713 -13.884 -1.514 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.977 -13.643 -1.546 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.165 -12.593 0.646 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.867 -13.307 2.102 1.00 0.00 H new ATOM 744 N MET A 53 -3.703 -9.442 0.373 1.00 0.00 N ATOM 745 CA MET A 53 -3.748 -8.007 0.629 1.00 0.00 C ATOM 746 C MET A 53 -2.524 -7.610 1.398 1.00 0.00 C ATOM 747 O MET A 53 -2.109 -8.330 2.297 1.00 0.00 O ATOM 748 CB MET A 53 -4.989 -7.630 1.440 1.00 0.00 C ATOM 749 CG MET A 53 -6.253 -8.009 0.670 1.00 0.00 C ATOM 750 SD MET A 53 -7.713 -7.599 1.660 1.00 0.00 S ATOM 751 CE MET A 53 -7.607 -5.800 1.491 1.00 0.00 C ATOM 0 H MET A 53 -3.707 -10.018 1.215 1.00 0.00 H new ATOM 0 HA MET A 53 -3.788 -7.486 -0.328 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.973 -8.141 2.403 1.00 0.00 H new ATOM 0 HB3 MET A 53 -4.987 -6.560 1.647 1.00 0.00 H new ATOM 0 HG2 MET A 53 -6.285 -7.477 -0.281 1.00 0.00 H new ATOM 0 HG3 MET A 53 -6.245 -9.074 0.439 1.00 0.00 H new ATOM 0 HE1 MET A 53 -7.554 -5.344 2.480 1.00 0.00 H new ATOM 0 HE2 MET A 53 -6.714 -5.540 0.923 1.00 0.00 H new ATOM 0 HE3 MET A 53 -8.489 -5.431 0.968 1.00 0.00 H new ATOM 761 N SER A 54 -1.940 -6.469 1.043 1.00 0.00 N ATOM 762 CA SER A 54 -0.745 -5.984 1.720 1.00 0.00 C ATOM 763 C SER A 54 -0.799 -4.483 1.901 1.00 0.00 C ATOM 764 O SER A 54 -0.920 -3.736 0.929 1.00 0.00 O ATOM 765 CB SER A 54 0.503 -6.363 0.930 1.00 0.00 C ATOM 766 OG SER A 54 1.652 -5.851 1.590 1.00 0.00 O ATOM 0 H SER A 54 -2.275 -5.865 0.292 1.00 0.00 H new ATOM 0 HA SER A 54 -0.702 -6.452 2.704 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.575 -7.447 0.840 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.442 -5.962 -0.082 1.00 0.00 H new ATOM 0 HG SER A 54 2.455 -6.095 1.085 1.00 0.00 H new ATOM 772 N LEU A 55 -0.669 -4.046 3.151 1.00 0.00 N ATOM 773 CA LEU A 55 -0.665 -2.622 3.478 1.00 0.00 C ATOM 774 C LEU A 55 0.547 -2.281 4.319 1.00 0.00 C ATOM 775 O LEU A 55 1.020 -3.112 5.110 1.00 0.00 O ATOM 776 CB LEU A 55 -1.965 -2.221 4.219 1.00 0.00 C ATOM 777 CG LEU A 55 -2.175 -3.097 5.500 1.00 0.00 C ATOM 778 CD1 LEU A 55 -1.559 -2.409 6.738 1.00 0.00 C ATOM 779 CD2 LEU A 55 -3.683 -3.307 5.742 1.00 0.00 C ATOM 0 H LEU A 55 -0.565 -4.661 3.958 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.617 -2.058 2.547 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.919 -1.168 4.498 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.819 -2.337 3.551 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.683 -4.057 5.345 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.716 -3.034 7.617 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.490 -2.266 6.580 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.036 -1.441 6.891 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.827 -3.917 6.634 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.167 -2.340 5.881 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.123 -3.812 4.882 1.00 0.00 H new ATOM 791 N GLY A 56 1.045 -1.059 4.148 1.00 0.00 N ATOM 792 CA GLY A 56 2.211 -0.594 4.886 1.00 0.00 C ATOM 793 C GLY A 56 2.082 0.880 5.215 1.00 0.00 C ATOM 794 O GLY A 56 1.229 1.577 4.654 1.00 0.00 O ATOM 0 H GLY A 56 0.656 -0.372 3.502 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.319 -1.169 5.806 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.112 -0.763 4.297 1.00 0.00 H new ATOM 798 N THR A 57 2.914 1.345 6.147 1.00 0.00 N ATOM 799 CA THR A 57 2.877 2.743 6.582 1.00 0.00 C ATOM 800 C THR A 57 4.264 3.366 6.550 1.00 0.00 C ATOM 801 O THR A 57 5.277 2.661 6.619 1.00 0.00 O ATOM 802 CB THR A 57 2.304 2.844 8.011 1.00 0.00 C ATOM 803 OG1 THR A 57 3.153 2.139 8.909 1.00 0.00 O ATOM 804 CG2 THR A 57 0.885 2.241 8.070 1.00 0.00 C ATOM 0 H THR A 57 3.620 0.777 6.615 1.00 0.00 H new ATOM 0 HA THR A 57 2.234 3.288 5.891 1.00 0.00 H new ATOM 0 HB THR A 57 2.251 3.895 8.295 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.658 1.926 9.728 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.497 2.321 9.086 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.230 2.784 7.388 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.923 1.191 7.778 1.00 0.00 H new ATOM 812 N SER A 58 4.294 4.695 6.480 1.00 0.00 N ATOM 813 CA SER A 58 5.542 5.447 6.480 1.00 0.00 C ATOM 814 C SER A 58 6.238 5.317 7.828 1.00 0.00 C ATOM 815 O SER A 58 5.582 5.075 8.846 1.00 0.00 O ATOM 816 CB SER A 58 5.273 6.917 6.179 1.00 0.00 C ATOM 817 OG SER A 58 6.496 7.637 6.244 1.00 0.00 O ATOM 0 H SER A 58 3.458 5.276 6.422 1.00 0.00 H new ATOM 0 HA SER A 58 6.191 5.038 5.705 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.827 7.023 5.190 1.00 0.00 H new ATOM 0 HB3 SER A 58 4.559 7.323 6.896 1.00 0.00 H new ATOM 0 HG SER A 58 6.598 8.182 5.436 1.00 0.00 H new ATOM 823 N GLU A 59 7.570 5.456 7.829 1.00 0.00 N ATOM 824 CA GLU A 59 8.351 5.342 9.068 1.00 0.00 C ATOM 825 C GLU A 59 7.830 6.316 10.142 1.00 0.00 C ATOM 826 O GLU A 59 7.855 6.006 11.337 1.00 0.00 O ATOM 827 CB GLU A 59 9.846 5.607 8.781 1.00 0.00 C ATOM 828 CG GLU A 59 10.040 7.046 8.234 1.00 0.00 C ATOM 829 CD GLU A 59 11.518 7.325 7.867 1.00 0.00 C ATOM 830 OE1 GLU A 59 12.341 6.425 7.990 1.00 0.00 O ATOM 831 OE2 GLU A 59 11.799 8.442 7.466 1.00 0.00 O ATOM 0 H GLU A 59 8.125 5.646 6.995 1.00 0.00 H new ATOM 0 HA GLU A 59 8.239 4.327 9.450 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.428 5.475 9.693 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.219 4.882 8.058 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.413 7.188 7.353 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.708 7.767 8.981 1.00 0.00 H new ATOM 838 N ASP A 60 7.316 7.466 9.694 1.00 0.00 N ATOM 839 CA ASP A 60 6.732 8.468 10.597 1.00 0.00 C ATOM 840 C ASP A 60 5.185 8.415 10.586 1.00 0.00 C ATOM 841 O ASP A 60 4.528 9.275 11.180 1.00 0.00 O ATOM 842 CB ASP A 60 7.202 9.872 10.203 1.00 0.00 C ATOM 843 CG ASP A 60 8.723 9.964 10.292 1.00 0.00 C ATOM 844 OD1 ASP A 60 9.270 9.510 11.285 1.00 0.00 O ATOM 845 OD2 ASP A 60 9.320 10.489 9.366 1.00 0.00 O ATOM 0 H ASP A 60 7.292 7.728 8.709 1.00 0.00 H new ATOM 0 HA ASP A 60 7.071 8.238 11.607 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.875 10.101 9.189 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.747 10.613 10.860 1.00 0.00 H new ATOM 850 N HIS A 61 4.616 7.417 9.882 1.00 0.00 N ATOM 851 CA HIS A 61 3.162 7.268 9.760 1.00 0.00 C ATOM 852 C HIS A 61 2.524 8.501 9.106 1.00 0.00 C ATOM 853 O HIS A 61 1.350 8.809 9.341 1.00 0.00 O ATOM 854 CB HIS A 61 2.541 6.993 11.135 1.00 0.00 C ATOM 855 CG HIS A 61 2.943 5.616 11.583 1.00 0.00 C ATOM 856 ND1 HIS A 61 2.031 4.577 11.680 1.00 0.00 N ATOM 857 CD2 HIS A 61 4.161 5.081 11.921 1.00 0.00 C ATOM 858 CE1 HIS A 61 2.707 3.479 12.062 1.00 0.00 C ATOM 859 NE2 HIS A 61 4.009 3.732 12.222 1.00 0.00 N ATOM 0 H HIS A 61 5.149 6.701 9.389 1.00 0.00 H new ATOM 0 HA HIS A 61 2.962 6.416 9.110 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.877 7.738 11.856 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.455 7.070 11.081 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.094 5.624 11.949 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.253 2.512 12.220 1.00 0.00 H new ATOM 0 HE2 HIS A 61 4.737 3.075 12.505 1.00 0.00 H new ATOM 867 N GLN A 62 3.295 9.160 8.236 1.00 0.00 N ATOM 868 CA GLN A 62 2.816 10.318 7.482 1.00 0.00 C ATOM 869 C GLN A 62 1.958 9.889 6.284 1.00 0.00 C ATOM 870 O GLN A 62 1.042 10.610 5.878 1.00 0.00 O ATOM 871 CB GLN A 62 4.003 11.182 7.003 1.00 0.00 C ATOM 872 CG GLN A 62 4.960 10.342 6.142 1.00 0.00 C ATOM 873 CD GLN A 62 6.046 11.225 5.539 1.00 0.00 C ATOM 874 OE1 GLN A 62 6.780 11.891 6.268 1.00 0.00 O ATOM 875 NE2 GLN A 62 6.195 11.267 4.243 1.00 0.00 N ATOM 0 H GLN A 62 4.263 8.906 8.037 1.00 0.00 H new ATOM 0 HA GLN A 62 2.192 10.912 8.150 1.00 0.00 H new ATOM 0 HB2 GLN A 62 3.635 12.031 6.427 1.00 0.00 H new ATOM 0 HB3 GLN A 62 4.537 11.587 7.862 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.414 9.560 6.750 1.00 0.00 H new ATOM 0 HG3 GLN A 62 4.403 9.845 5.347 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.585 10.714 3.641 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.922 11.853 3.832 1.00 0.00 H new ATOM 884 N HIS A 63 2.283 8.720 5.711 1.00 0.00 N ATOM 885 CA HIS A 63 1.569 8.202 4.542 1.00 0.00 C ATOM 886 C HIS A 63 1.171 6.737 4.733 1.00 0.00 C ATOM 887 O HIS A 63 1.822 5.995 5.474 1.00 0.00 O ATOM 888 CB HIS A 63 2.439 8.353 3.285 1.00 0.00 C ATOM 889 CG HIS A 63 2.495 9.809 2.866 1.00 0.00 C ATOM 890 ND1 HIS A 63 2.823 10.960 3.546 1.00 0.00 N flip ATOM 891 CD2 HIS A 63 2.157 10.216 1.589 1.00 0.00 C flip ATOM 892 CE1 HIS A 63 2.686 12.058 2.705 1.00 0.00 C flip ATOM 893 NE2 HIS A 63 2.281 11.556 1.539 1.00 0.00 N flip ATOM 0 H HIS A 63 3.037 8.118 6.041 1.00 0.00 H new ATOM 0 HA HIS A 63 0.655 8.784 4.421 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.445 7.984 3.483 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.031 7.748 2.475 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.849 9.574 0.777 1.00 0.00 H new ATOM 0 HE1 HIS A 63 2.869 13.095 2.945 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.088 12.118 0.710 1.00 0.00 H new ATOM 901 N PHE A 64 0.086 6.340 4.060 1.00 0.00 N ATOM 902 CA PHE A 64 -0.434 4.968 4.140 1.00 0.00 C ATOM 903 C PHE A 64 -0.687 4.409 2.739 1.00 0.00 C ATOM 904 O PHE A 64 -1.099 5.145 1.849 1.00 0.00 O ATOM 905 CB PHE A 64 -1.753 4.954 4.933 1.00 0.00 C ATOM 906 CG PHE A 64 -1.517 5.431 6.351 1.00 0.00 C ATOM 907 CD1 PHE A 64 -1.561 6.799 6.647 1.00 0.00 C ATOM 908 CD2 PHE A 64 -1.268 4.504 7.368 1.00 0.00 C ATOM 909 CE1 PHE A 64 -1.352 7.239 7.960 1.00 0.00 C ATOM 910 CE2 PHE A 64 -1.058 4.944 8.680 1.00 0.00 C ATOM 911 CZ PHE A 64 -1.100 6.311 8.976 1.00 0.00 C ATOM 0 H PHE A 64 -0.454 6.953 3.449 1.00 0.00 H new ATOM 0 HA PHE A 64 0.307 4.348 4.645 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -2.487 5.595 4.444 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.168 3.946 4.945 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.756 7.515 5.862 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.238 3.449 7.141 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.385 8.294 8.188 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.863 4.228 9.465 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.938 6.650 9.989 1.00 0.00 H new ATOM 921 N THR A 65 -0.456 3.097 2.557 1.00 0.00 N ATOM 922 CA THR A 65 -0.697 2.448 1.256 1.00 0.00 C ATOM 923 C THR A 65 -1.431 1.115 1.417 1.00 0.00 C ATOM 924 O THR A 65 -1.216 0.386 2.393 1.00 0.00 O ATOM 925 CB THR A 65 0.628 2.223 0.515 1.00 0.00 C ATOM 926 OG1 THR A 65 1.480 1.402 1.306 1.00 0.00 O ATOM 927 CG2 THR A 65 1.310 3.568 0.243 1.00 0.00 C ATOM 0 H THR A 65 -0.107 2.472 3.284 1.00 0.00 H new ATOM 0 HA THR A 65 -1.330 3.116 0.672 1.00 0.00 H new ATOM 0 HB THR A 65 0.429 1.729 -0.436 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.326 1.257 0.833 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.250 3.400 -0.283 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.657 4.190 -0.370 1.00 0.00 H new ATOM 0 HG23 THR A 65 1.509 4.073 1.188 1.00 0.00 H new ATOM 935 N CYS A 66 -2.256 0.783 0.412 1.00 0.00 N ATOM 936 CA CYS A 66 -2.992 -0.484 0.383 1.00 0.00 C ATOM 937 C CYS A 66 -2.777 -1.155 -0.969 1.00 0.00 C ATOM 938 O CYS A 66 -2.815 -0.484 -2.003 1.00 0.00 O ATOM 939 CB CYS A 66 -4.496 -0.242 0.576 1.00 0.00 C ATOM 940 SG CYS A 66 -4.791 0.839 2.006 1.00 0.00 S ATOM 0 H CYS A 66 -2.429 1.382 -0.396 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.626 -1.118 1.190 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -4.915 0.212 -0.322 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.007 -1.194 0.721 1.00 0.00 H new ATOM 945 N THR A 67 -2.540 -2.470 -0.966 1.00 0.00 N ATOM 946 CA THR A 67 -2.309 -3.206 -2.220 1.00 0.00 C ATOM 947 C THR A 67 -3.096 -4.520 -2.244 1.00 0.00 C ATOM 948 O THR A 67 -3.052 -5.293 -1.285 1.00 0.00 O ATOM 949 CB THR A 67 -0.805 -3.480 -2.386 1.00 0.00 C ATOM 950 OG1 THR A 67 -0.099 -2.249 -2.301 1.00 0.00 O ATOM 951 CG2 THR A 67 -0.515 -4.128 -3.756 1.00 0.00 C ATOM 0 H THR A 67 -2.503 -3.044 -0.123 1.00 0.00 H new ATOM 0 HA THR A 67 -2.660 -2.594 -3.051 1.00 0.00 H new ATOM 0 HB THR A 67 -0.484 -4.162 -1.599 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.861 -2.415 -2.404 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.555 -4.313 -3.852 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.055 -5.072 -3.834 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.840 -3.458 -4.552 1.00 0.00 H new ATOM 959 N ILE A 68 -3.817 -4.764 -3.351 1.00 0.00 N ATOM 960 CA ILE A 68 -4.616 -5.999 -3.492 1.00 0.00 C ATOM 961 C ILE A 68 -4.323 -6.684 -4.839 1.00 0.00 C ATOM 962 O ILE A 68 -4.515 -6.084 -5.896 1.00 0.00 O ATOM 963 CB ILE A 68 -6.132 -5.676 -3.384 1.00 0.00 C ATOM 964 CG1 ILE A 68 -6.410 -4.955 -2.044 1.00 0.00 C ATOM 965 CG2 ILE A 68 -6.946 -6.993 -3.426 1.00 0.00 C ATOM 966 CD1 ILE A 68 -7.820 -4.357 -2.051 1.00 0.00 C ATOM 0 H ILE A 68 -3.865 -4.134 -4.152 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.338 -6.678 -2.686 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.424 -5.036 -4.216 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.308 -5.657 -1.216 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.673 -4.167 -1.886 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.009 -6.766 -3.350 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.752 -7.511 -4.365 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.651 -7.630 -2.592 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.006 -3.852 -1.103 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.907 -3.640 -2.868 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.552 -5.153 -2.187 1.00 0.00 H new ATOM 978 N TRP A 69 -3.928 -7.964 -4.782 1.00 0.00 N ATOM 979 CA TRP A 69 -3.680 -8.759 -5.998 1.00 0.00 C ATOM 980 C TRP A 69 -3.867 -10.255 -5.701 1.00 0.00 C ATOM 981 O TRP A 69 -3.821 -10.666 -4.533 1.00 0.00 O ATOM 982 CB TRP A 69 -2.253 -8.480 -6.559 1.00 0.00 C ATOM 983 CG TRP A 69 -1.194 -9.028 -5.639 1.00 0.00 C ATOM 984 CD1 TRP A 69 -0.530 -10.191 -5.830 1.00 0.00 C ATOM 985 CD2 TRP A 69 -0.704 -8.478 -4.395 1.00 0.00 C ATOM 986 NE1 TRP A 69 0.354 -10.375 -4.785 1.00 0.00 N ATOM 987 CE2 TRP A 69 0.280 -9.346 -3.871 1.00 0.00 C ATOM 988 CE3 TRP A 69 -1.013 -7.316 -3.679 1.00 0.00 C ATOM 989 CZ2 TRP A 69 0.937 -9.073 -2.678 1.00 0.00 C ATOM 990 CZ3 TRP A 69 -0.353 -7.033 -2.469 1.00 0.00 C ATOM 991 CH2 TRP A 69 0.621 -7.915 -1.972 1.00 0.00 C ATOM 0 H TRP A 69 -3.773 -8.471 -3.911 1.00 0.00 H new ATOM 0 HA TRP A 69 -4.403 -8.464 -6.759 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -2.152 -8.932 -7.546 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -2.111 -7.407 -6.684 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -0.668 -10.865 -6.663 1.00 0.00 H new ATOM 0 HE1 TRP A 69 0.983 -11.173 -4.700 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.761 -6.634 -4.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.687 -9.753 -2.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.596 -6.135 -1.921 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.125 -7.695 -1.042 1.00 0.00 H new ATOM 1002 N ARG A 70 -4.036 -11.063 -6.755 1.00 0.00 N ATOM 1003 CA ARG A 70 -4.180 -12.510 -6.578 1.00 0.00 C ATOM 1004 C ARG A 70 -2.769 -13.191 -6.481 1.00 0.00 C ATOM 1005 O ARG A 70 -1.793 -12.648 -7.004 1.00 0.00 O ATOM 1006 CB ARG A 70 -5.038 -13.116 -7.717 1.00 0.00 C ATOM 1007 CG ARG A 70 -4.259 -13.132 -9.028 1.00 0.00 C ATOM 1008 CD ARG A 70 -5.182 -13.512 -10.178 1.00 0.00 C ATOM 1009 NE ARG A 70 -6.116 -12.411 -10.459 1.00 0.00 N ATOM 1010 CZ ARG A 70 -5.766 -11.319 -11.190 1.00 0.00 C ATOM 1011 NH1 ARG A 70 -4.546 -11.186 -11.681 1.00 0.00 N ATOM 1012 NH2 ARG A 70 -6.650 -10.393 -11.420 1.00 0.00 N ATOM 0 H ARG A 70 -4.076 -10.745 -7.723 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.703 -12.702 -5.641 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.337 -14.130 -7.453 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.952 -12.535 -7.839 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.820 -12.151 -9.212 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.435 -13.842 -8.962 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.594 -13.737 -11.068 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.737 -14.415 -9.926 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.065 -12.469 -10.090 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.847 -11.910 -11.514 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.303 -10.359 -12.227 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.597 -10.489 -11.053 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.396 -9.570 -11.967 1.00 0.00 H new ATOM 1026 N PRO A 71 -2.642 -14.343 -5.797 1.00 0.00 N ATOM 1027 CA PRO A 71 -1.314 -15.042 -5.617 1.00 0.00 C ATOM 1028 C PRO A 71 -0.820 -15.774 -6.874 1.00 0.00 C ATOM 1029 O PRO A 71 0.380 -15.778 -7.167 1.00 0.00 O ATOM 1030 CB PRO A 71 -1.614 -16.049 -4.518 1.00 0.00 C ATOM 1031 CG PRO A 71 -3.050 -16.389 -4.720 1.00 0.00 C ATOM 1032 CD PRO A 71 -3.728 -15.101 -5.132 1.00 0.00 C ATOM 0 HA PRO A 71 -0.520 -14.330 -5.391 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.980 -16.931 -4.602 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.440 -15.624 -3.529 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -3.166 -17.154 -5.488 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -3.490 -16.786 -3.805 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.563 -15.284 -5.808 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.126 -14.563 -4.272 1.00 0.00 H new ATOM 1040 N GLN A 72 -1.746 -16.433 -7.571 1.00 0.00 N ATOM 1041 CA GLN A 72 -1.413 -17.228 -8.761 1.00 0.00 C ATOM 1042 C GLN A 72 -0.846 -16.361 -9.878 1.00 0.00 C ATOM 1043 O GLN A 72 0.070 -16.770 -10.599 1.00 0.00 O ATOM 1044 CB GLN A 72 -2.655 -17.970 -9.258 1.00 0.00 C ATOM 1045 CG GLN A 72 -3.022 -19.081 -8.272 1.00 0.00 C ATOM 1046 CD GLN A 72 -4.240 -19.845 -8.782 1.00 0.00 C ATOM 1047 OE1 GLN A 72 -4.329 -20.150 -9.972 1.00 0.00 O ATOM 1048 NE2 GLN A 72 -5.188 -20.176 -7.948 1.00 0.00 N ATOM 0 H GLN A 72 -2.738 -16.434 -7.333 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.646 -17.948 -8.475 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.488 -17.275 -9.363 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.467 -18.394 -10.244 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -2.180 -19.762 -8.148 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -3.234 -18.654 -7.292 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -5.112 -19.922 -6.963 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -6.005 -20.688 -8.281 1.00 0.00 H new ATOM 1057 N GLY A 73 -1.417 -15.182 -10.021 1.00 0.00 N ATOM 1058 CA GLY A 73 -1.021 -14.230 -11.058 1.00 0.00 C ATOM 1059 C GLY A 73 -2.117 -14.082 -12.117 1.00 0.00 C ATOM 1060 O GLY A 73 -2.306 -12.996 -12.673 1.00 0.00 O ATOM 0 H GLY A 73 -2.173 -14.849 -9.422 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.814 -13.260 -10.606 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.097 -14.565 -11.530 1.00 0.00 H new ATOM 1064 N LYS A 74 -2.867 -15.174 -12.364 1.00 0.00 N ATOM 1065 CA LYS A 74 -3.975 -15.146 -13.321 1.00 0.00 C ATOM 1066 C LYS A 74 -5.156 -15.977 -12.829 1.00 0.00 C ATOM 1067 O LYS A 74 -5.011 -17.165 -12.526 1.00 0.00 O ATOM 1068 CB LYS A 74 -3.521 -15.645 -14.702 1.00 0.00 C ATOM 1069 CG LYS A 74 -2.913 -17.061 -14.599 1.00 0.00 C ATOM 1070 CD LYS A 74 -2.297 -17.465 -15.952 1.00 0.00 C ATOM 1071 CE LYS A 74 -3.405 -17.773 -16.971 1.00 0.00 C ATOM 1072 NZ LYS A 74 -2.788 -18.221 -18.253 1.00 0.00 N ATOM 0 H LYS A 74 -2.722 -16.078 -11.914 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.299 -14.109 -13.411 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.369 -15.657 -15.387 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.785 -14.957 -15.119 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.150 -17.083 -13.821 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.683 -17.777 -14.311 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.663 -16.661 -16.326 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.659 -18.339 -15.822 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.066 -18.548 -16.583 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.016 -16.886 -17.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.537 -18.430 -18.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.174 -17.468 -18.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.223 -19.078 -18.085 1.00 0.00 H new ATOM 1086 N SER A 75 -6.331 -15.344 -12.784 1.00 0.00 N ATOM 1087 CA SER A 75 -7.567 -16.012 -12.366 1.00 0.00 C ATOM 1088 C SER A 75 -8.590 -16.006 -13.501 1.00 0.00 C ATOM 1089 O SER A 75 -8.779 -14.976 -14.159 1.00 0.00 O ATOM 1090 CB SER A 75 -8.149 -15.317 -11.135 1.00 0.00 C ATOM 1091 OG SER A 75 -9.415 -15.882 -10.828 1.00 0.00 O ATOM 0 H SER A 75 -6.453 -14.363 -13.034 1.00 0.00 H new ATOM 0 HA SER A 75 -7.333 -17.046 -12.114 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.473 -15.429 -10.287 1.00 0.00 H new ATOM 0 HB3 SER A 75 -8.251 -14.248 -11.322 1.00 0.00 H new ATOM 0 HG SER A 75 -9.788 -15.438 -10.038 1.00 0.00 H new ATOM 1097 N TYR A 76 -9.252 -17.157 -13.732 1.00 0.00 N ATOM 1098 CA TYR A 76 -10.259 -17.249 -14.800 1.00 0.00 C ATOM 1099 C TYR A 76 -11.686 -17.167 -14.222 1.00 0.00 C ATOM 1100 O TYR A 76 -12.334 -18.187 -13.966 1.00 0.00 O ATOM 1101 CB TYR A 76 -10.067 -18.567 -15.581 1.00 0.00 C ATOM 1102 CG TYR A 76 -10.980 -18.599 -16.794 1.00 0.00 C ATOM 1103 CD1 TYR A 76 -10.606 -17.939 -17.972 1.00 0.00 C ATOM 1104 CD2 TYR A 76 -12.194 -19.295 -16.738 1.00 0.00 C ATOM 1105 CE1 TYR A 76 -11.448 -17.975 -19.091 1.00 0.00 C ATOM 1106 CE2 TYR A 76 -13.034 -19.330 -17.856 1.00 0.00 C ATOM 1107 CZ TYR A 76 -12.661 -18.670 -19.033 1.00 0.00 C ATOM 1108 OH TYR A 76 -13.490 -18.707 -20.135 1.00 0.00 O ATOM 0 H TYR A 76 -9.110 -18.018 -13.204 1.00 0.00 H new ATOM 0 HA TYR A 76 -10.126 -16.407 -15.479 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -9.028 -18.662 -15.897 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -10.282 -19.416 -14.933 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.669 -17.403 -18.017 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.482 -19.805 -15.831 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.161 -17.466 -19.999 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.970 -19.866 -17.811 1.00 0.00 H new ATOM 0 HH TYR A 76 -14.290 -19.233 -19.925 1.00 0.00 H new ATOM 1118 N LEU A 77 -12.174 -15.934 -14.071 1.00 0.00 N ATOM 1119 CA LEU A 77 -13.533 -15.672 -13.586 1.00 0.00 C ATOM 1120 C LEU A 77 -14.139 -14.478 -14.312 1.00 0.00 C ATOM 1121 O LEU A 77 -13.416 -13.549 -14.691 1.00 0.00 O ATOM 1122 CB LEU A 77 -13.535 -15.429 -12.069 1.00 0.00 C ATOM 1123 CG LEU A 77 -13.350 -16.761 -11.318 1.00 0.00 C ATOM 1124 CD1 LEU A 77 -12.989 -16.475 -9.861 1.00 0.00 C ATOM 1125 CD2 LEU A 77 -14.663 -17.561 -11.351 1.00 0.00 C ATOM 0 H LEU A 77 -11.641 -15.090 -14.281 1.00 0.00 H new ATOM 0 HA LEU A 77 -14.141 -16.552 -13.794 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -12.735 -14.739 -11.803 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.473 -14.961 -11.769 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.556 -17.334 -11.797 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.858 -17.416 -9.327 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.062 -15.903 -9.821 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.790 -15.902 -9.394 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -14.529 -18.503 -10.819 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -15.453 -16.983 -10.872 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -14.939 -17.765 -12.386 1.00 0.00 H new ATOM 1137 N TYR A 78 -15.473 -14.475 -14.461 1.00 0.00 N ATOM 1138 CA TYR A 78 -16.159 -13.352 -15.092 1.00 0.00 C ATOM 1139 C TYR A 78 -16.576 -12.363 -14.018 1.00 0.00 C ATOM 1140 O TYR A 78 -17.577 -12.567 -13.330 1.00 0.00 O ATOM 1141 CB TYR A 78 -17.386 -13.844 -15.865 1.00 0.00 C ATOM 1142 CG TYR A 78 -17.930 -12.722 -16.721 1.00 0.00 C ATOM 1143 CD1 TYR A 78 -17.404 -12.501 -18.001 1.00 0.00 C ATOM 1144 CD2 TYR A 78 -18.954 -11.904 -16.234 1.00 0.00 C ATOM 1145 CE1 TYR A 78 -17.906 -11.463 -18.794 1.00 0.00 C ATOM 1146 CE2 TYR A 78 -19.456 -10.864 -17.027 1.00 0.00 C ATOM 1147 CZ TYR A 78 -18.932 -10.644 -18.306 1.00 0.00 C ATOM 1148 OH TYR A 78 -19.426 -9.619 -19.087 1.00 0.00 O ATOM 0 H TYR A 78 -16.086 -15.231 -14.155 1.00 0.00 H new ATOM 0 HA TYR A 78 -15.486 -12.864 -15.797 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -17.117 -14.695 -16.491 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -18.152 -14.189 -15.170 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -16.611 -13.132 -18.375 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -19.358 -12.074 -15.247 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -17.503 -11.294 -19.781 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -20.247 -10.232 -16.651 1.00 0.00 H new ATOM 0 HH TYR A 78 -20.276 -9.305 -18.715 1.00 0.00 H new ATOM 1158 N PHE A 79 -15.768 -11.315 -13.849 1.00 0.00 N ATOM 1159 CA PHE A 79 -16.003 -10.316 -12.807 1.00 0.00 C ATOM 1160 C PHE A 79 -17.012 -9.276 -13.257 1.00 0.00 C ATOM 1161 O PHE A 79 -16.945 -8.787 -14.386 1.00 0.00 O ATOM 1162 CB PHE A 79 -14.691 -9.622 -12.442 1.00 0.00 C ATOM 1163 CG PHE A 79 -13.753 -10.612 -11.797 1.00 0.00 C ATOM 1164 CD1 PHE A 79 -12.829 -11.311 -12.580 1.00 0.00 C ATOM 1165 CD2 PHE A 79 -13.802 -10.824 -10.417 1.00 0.00 C ATOM 1166 CE1 PHE A 79 -11.953 -12.225 -11.981 1.00 0.00 C ATOM 1167 CE2 PHE A 79 -12.929 -11.738 -9.817 1.00 0.00 C ATOM 1168 CZ PHE A 79 -12.005 -12.440 -10.600 1.00 0.00 C ATOM 0 H PHE A 79 -14.943 -11.136 -14.422 1.00 0.00 H new ATOM 0 HA PHE A 79 -16.404 -10.833 -11.935 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -14.231 -9.200 -13.336 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -14.884 -8.793 -11.761 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -12.791 -11.146 -13.647 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -14.514 -10.282 -9.813 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -11.238 -12.763 -12.585 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -12.968 -11.902 -8.750 1.00 0.00 H new ATOM 0 HZ PHE A 79 -11.332 -13.147 -10.138 1.00 0.00 H new ATOM 1178 N THR A 80 -17.936 -8.920 -12.353 1.00 0.00 N ATOM 1179 CA THR A 80 -18.935 -7.899 -12.653 1.00 0.00 C ATOM 1180 C THR A 80 -18.277 -6.512 -12.648 1.00 0.00 C ATOM 1181 O THR A 80 -18.507 -5.704 -13.548 1.00 0.00 O ATOM 1182 CB THR A 80 -20.078 -7.964 -11.617 1.00 0.00 C ATOM 1183 OG1 THR A 80 -20.654 -9.264 -11.640 1.00 0.00 O ATOM 1184 CG2 THR A 80 -21.167 -6.931 -11.954 1.00 0.00 C ATOM 0 H THR A 80 -18.008 -9.323 -11.419 1.00 0.00 H new ATOM 0 HA THR A 80 -19.354 -8.081 -13.643 1.00 0.00 H new ATOM 0 HB THR A 80 -19.672 -7.745 -10.629 1.00 0.00 H new ATOM 0 HG1 THR A 80 -21.379 -9.312 -10.983 1.00 0.00 H new ATOM 0 HG21 THR A 80 -21.965 -6.990 -11.214 1.00 0.00 H new ATOM 0 HG22 THR A 80 -20.735 -5.930 -11.943 1.00 0.00 H new ATOM 0 HG23 THR A 80 -21.573 -7.140 -12.944 1.00 0.00 H new ATOM 1192 N GLN A 81 -17.423 -6.267 -11.637 1.00 0.00 N ATOM 1193 CA GLN A 81 -16.685 -4.990 -11.508 1.00 0.00 C ATOM 1194 C GLN A 81 -15.852 -4.976 -10.227 1.00 0.00 C ATOM 1195 O GLN A 81 -16.065 -5.805 -9.334 1.00 0.00 O ATOM 1196 CB GLN A 81 -17.646 -3.776 -11.529 1.00 0.00 C ATOM 1197 CG GLN A 81 -18.694 -3.908 -10.415 1.00 0.00 C ATOM 1198 CD GLN A 81 -19.716 -2.784 -10.525 1.00 0.00 C ATOM 1199 OE1 GLN A 81 -19.359 -1.608 -10.452 1.00 0.00 O ATOM 1200 NE2 GLN A 81 -20.975 -3.075 -10.700 1.00 0.00 N ATOM 0 H GLN A 81 -17.224 -6.937 -10.894 1.00 0.00 H new ATOM 0 HA GLN A 81 -16.017 -4.909 -12.366 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -17.080 -2.853 -11.398 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -18.141 -3.712 -12.498 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -19.194 -4.874 -10.488 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -18.207 -3.874 -9.440 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -21.270 -4.050 -10.760 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -21.665 -2.328 -10.777 1.00 0.00 H new ATOM 1209 N PHE A 82 -14.905 -4.025 -10.136 1.00 0.00 N ATOM 1210 CA PHE A 82 -14.044 -3.914 -8.942 1.00 0.00 C ATOM 1211 C PHE A 82 -14.116 -2.515 -8.348 1.00 0.00 C ATOM 1212 O PHE A 82 -14.230 -1.528 -9.082 1.00 0.00 O ATOM 1213 CB PHE A 82 -12.589 -4.181 -9.291 1.00 0.00 C ATOM 1214 CG PHE A 82 -12.406 -5.564 -9.875 1.00 0.00 C ATOM 1215 CD1 PHE A 82 -12.373 -5.732 -11.264 1.00 0.00 C ATOM 1216 CD2 PHE A 82 -12.250 -6.668 -9.032 1.00 0.00 C ATOM 1217 CE1 PHE A 82 -12.183 -7.005 -11.809 1.00 0.00 C ATOM 1218 CE2 PHE A 82 -12.063 -7.943 -9.577 1.00 0.00 C ATOM 1219 CZ PHE A 82 -12.027 -8.110 -10.966 1.00 0.00 C ATOM 0 H PHE A 82 -14.717 -3.332 -10.861 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.405 -4.653 -8.226 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -12.242 -3.434 -10.005 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -11.974 -4.078 -8.397 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -12.494 -4.878 -11.914 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -12.274 -6.537 -7.960 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -12.157 -7.135 -12.881 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -11.947 -8.797 -8.927 1.00 0.00 H new ATOM 0 HZ PHE A 82 -11.879 -9.093 -11.387 1.00 0.00 H new ATOM 1229 N LYS A 83 -14.017 -2.432 -7.013 1.00 0.00 N ATOM 1230 CA LYS A 83 -14.037 -1.136 -6.324 1.00 0.00 C ATOM 1231 C LYS A 83 -13.074 -1.142 -5.135 1.00 0.00 C ATOM 1232 O LYS A 83 -12.967 -2.148 -4.425 1.00 0.00 O ATOM 1233 CB LYS A 83 -15.456 -0.818 -5.847 1.00 0.00 C ATOM 1234 CG LYS A 83 -16.394 -0.808 -7.053 1.00 0.00 C ATOM 1235 CD LYS A 83 -17.807 -0.462 -6.606 1.00 0.00 C ATOM 1236 CE LYS A 83 -18.722 -0.497 -7.816 1.00 0.00 C ATOM 1237 NZ LYS A 83 -20.111 -0.144 -7.402 1.00 0.00 N ATOM 0 H LYS A 83 -13.923 -3.238 -6.396 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.715 -0.367 -7.026 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -15.785 -1.561 -5.120 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -15.477 0.149 -5.345 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -16.048 -0.082 -7.788 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.386 -1.783 -7.540 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -18.149 -1.171 -5.853 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -17.827 0.526 -6.146 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -18.368 0.203 -8.573 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -18.707 -1.489 -8.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -20.737 -0.168 -8.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -20.447 -0.828 -6.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -20.118 0.811 -6.990 1.00 0.00 H new ATOM 1251 N ALA A 84 -12.385 -0.009 -4.915 1.00 0.00 N ATOM 1252 CA ALA A 84 -11.441 0.109 -3.800 1.00 0.00 C ATOM 1253 C ALA A 84 -11.461 1.513 -3.207 1.00 0.00 C ATOM 1254 O ALA A 84 -11.530 2.505 -3.941 1.00 0.00 O ATOM 1255 CB ALA A 84 -10.027 -0.236 -4.269 1.00 0.00 C ATOM 0 H ALA A 84 -12.466 0.829 -5.491 1.00 0.00 H new ATOM 0 HA ALA A 84 -11.747 -0.594 -3.025 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.334 -0.145 -3.433 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.008 -1.258 -4.646 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.730 0.449 -5.063 1.00 0.00 H new ATOM 1261 N GLU A 85 -11.382 1.588 -1.876 1.00 0.00 N ATOM 1262 CA GLU A 85 -11.370 2.871 -1.168 1.00 0.00 C ATOM 1263 C GLU A 85 -10.701 2.723 0.200 1.00 0.00 C ATOM 1264 O GLU A 85 -10.470 1.607 0.655 1.00 0.00 O ATOM 1265 CB GLU A 85 -12.801 3.427 -1.032 1.00 0.00 C ATOM 1266 CG GLU A 85 -13.691 2.434 -0.256 1.00 0.00 C ATOM 1267 CD GLU A 85 -15.159 2.920 -0.177 1.00 0.00 C ATOM 1268 OE1 GLU A 85 -15.455 4.005 -0.674 1.00 0.00 O ATOM 1269 OE2 GLU A 85 -15.965 2.193 0.383 1.00 0.00 O ATOM 0 H GLU A 85 -11.325 0.773 -1.265 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.787 3.585 -1.751 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.778 4.386 -0.514 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -13.223 3.608 -2.020 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -13.656 1.459 -0.741 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -13.297 2.303 0.752 1.00 0.00 H new ATOM 1276 N VAL A 86 -10.372 3.855 0.836 1.00 0.00 N ATOM 1277 CA VAL A 86 -9.702 3.836 2.152 1.00 0.00 C ATOM 1278 C VAL A 86 -10.435 4.707 3.160 1.00 0.00 C ATOM 1279 O VAL A 86 -11.177 5.621 2.783 1.00 0.00 O ATOM 1280 CB VAL A 86 -8.235 4.298 2.028 1.00 0.00 C ATOM 1281 CG1 VAL A 86 -7.468 3.327 1.128 1.00 0.00 C ATOM 1282 CG2 VAL A 86 -8.171 5.717 1.423 1.00 0.00 C ATOM 0 H VAL A 86 -10.555 4.789 0.469 1.00 0.00 H new ATOM 0 HA VAL A 86 -9.719 2.807 2.511 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.785 4.314 3.021 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -6.432 3.653 1.040 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -7.498 2.328 1.562 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -7.927 3.307 0.140 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.130 6.031 1.341 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.627 5.711 0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.710 6.412 2.067 1.00 0.00 H new ATOM 1292 N ARG A 87 -10.217 4.418 4.450 1.00 0.00 N ATOM 1293 CA ARG A 87 -10.855 5.178 5.527 1.00 0.00 C ATOM 1294 C ARG A 87 -9.828 5.648 6.545 1.00 0.00 C ATOM 1295 O ARG A 87 -8.793 4.998 6.752 1.00 0.00 O ATOM 1296 CB ARG A 87 -11.934 4.333 6.224 1.00 0.00 C ATOM 1297 CG ARG A 87 -13.029 3.908 5.218 1.00 0.00 C ATOM 1298 CD ARG A 87 -13.877 5.124 4.798 1.00 0.00 C ATOM 1299 NE ARG A 87 -14.530 5.730 5.978 1.00 0.00 N ATOM 1300 CZ ARG A 87 -15.690 5.264 6.508 1.00 0.00 C ATOM 1301 NH1 ARG A 87 -16.308 4.220 5.991 1.00 0.00 N ATOM 1302 NH2 ARG A 87 -16.203 5.861 7.549 1.00 0.00 N ATOM 0 H ARG A 87 -9.606 3.666 4.770 1.00 0.00 H new ATOM 0 HA ARG A 87 -11.327 6.053 5.081 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -11.479 3.448 6.669 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -12.382 4.904 7.037 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -12.568 3.457 4.339 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -13.669 3.149 5.667 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -13.245 5.863 4.305 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -14.632 4.816 4.075 1.00 0.00 H new ATOM 0 HE ARG A 87 -14.087 6.538 6.416 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -15.915 3.746 5.177 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -17.179 3.886 6.405 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -15.733 6.669 7.956 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -17.074 5.519 7.955 1.00 0.00 H new ATOM 1316 N GLY A 88 -10.117 6.797 7.164 1.00 0.00 N ATOM 1317 CA GLY A 88 -9.215 7.402 8.148 1.00 0.00 C ATOM 1318 C GLY A 88 -8.128 8.277 7.482 1.00 0.00 C ATOM 1319 O GLY A 88 -7.293 8.865 8.175 1.00 0.00 O ATOM 0 H GLY A 88 -10.972 7.328 7.000 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.794 8.010 8.843 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.738 6.616 8.733 1.00 0.00 H new ATOM 1323 N ALA A 89 -8.161 8.371 6.139 1.00 0.00 N ATOM 1324 CA ALA A 89 -7.199 9.178 5.389 1.00 0.00 C ATOM 1325 C ALA A 89 -7.730 9.481 3.994 1.00 0.00 C ATOM 1326 O ALA A 89 -8.717 8.880 3.556 1.00 0.00 O ATOM 1327 CB ALA A 89 -5.859 8.449 5.289 1.00 0.00 C ATOM 0 H ALA A 89 -8.849 7.894 5.556 1.00 0.00 H new ATOM 0 HA ALA A 89 -7.052 10.118 5.920 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.153 9.061 4.728 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.468 8.268 6.290 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.000 7.497 4.777 1.00 0.00 H new ATOM 1333 N GLU A 90 -7.059 10.402 3.293 1.00 0.00 N ATOM 1334 CA GLU A 90 -7.451 10.769 1.929 1.00 0.00 C ATOM 1335 C GLU A 90 -6.495 10.140 0.922 1.00 0.00 C ATOM 1336 O GLU A 90 -5.334 9.881 1.241 1.00 0.00 O ATOM 1337 CB GLU A 90 -7.485 12.304 1.761 1.00 0.00 C ATOM 1338 CG GLU A 90 -6.099 12.915 2.070 1.00 0.00 C ATOM 1339 CD GLU A 90 -6.115 14.451 1.923 1.00 0.00 C ATOM 1340 OE1 GLU A 90 -7.193 15.039 1.973 1.00 0.00 O ATOM 1341 OE2 GLU A 90 -5.045 15.016 1.763 1.00 0.00 O ATOM 0 H GLU A 90 -6.245 10.905 3.647 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.455 10.388 1.744 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.782 12.558 0.743 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.234 12.732 2.427 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.800 12.648 3.084 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.354 12.491 1.396 1.00 0.00 H new ATOM 1348 N ILE A 91 -7.008 9.845 -0.274 1.00 0.00 N ATOM 1349 CA ILE A 91 -6.215 9.177 -1.310 1.00 0.00 C ATOM 1350 C ILE A 91 -5.443 10.193 -2.155 1.00 0.00 C ATOM 1351 O ILE A 91 -6.035 11.090 -2.765 1.00 0.00 O ATOM 1352 CB ILE A 91 -7.131 8.297 -2.210 1.00 0.00 C ATOM 1353 CG1 ILE A 91 -7.848 7.242 -1.334 1.00 0.00 C ATOM 1354 CG2 ILE A 91 -6.279 7.569 -3.280 1.00 0.00 C ATOM 1355 CD1 ILE A 91 -8.985 6.577 -2.127 1.00 0.00 C ATOM 0 H ILE A 91 -7.967 10.057 -0.550 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.488 8.532 -0.817 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.865 8.934 -2.703 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.135 6.487 -1.005 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.248 7.715 -0.437 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.927 6.955 -3.906 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -5.767 8.305 -3.900 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.542 6.934 -2.788 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -9.482 5.837 -1.500 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -9.706 7.335 -2.434 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.575 6.087 -3.010 1.00 0.00 H new ATOM 1367 N GLU A 92 -4.122 10.004 -2.216 1.00 0.00 N ATOM 1368 CA GLU A 92 -3.256 10.854 -3.028 1.00 0.00 C ATOM 1369 C GLU A 92 -3.272 10.385 -4.475 1.00 0.00 C ATOM 1370 O GLU A 92 -3.310 11.198 -5.404 1.00 0.00 O ATOM 1371 CB GLU A 92 -1.818 10.787 -2.517 1.00 0.00 C ATOM 1372 CG GLU A 92 -1.738 11.323 -1.095 1.00 0.00 C ATOM 1373 CD GLU A 92 -0.310 11.210 -0.596 1.00 0.00 C ATOM 1374 OE1 GLU A 92 0.517 11.990 -1.037 1.00 0.00 O ATOM 1375 OE2 GLU A 92 -0.064 10.339 0.214 1.00 0.00 O ATOM 0 H GLU A 92 -3.631 9.267 -1.710 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.626 11.877 -2.962 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.462 9.757 -2.545 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.166 11.368 -3.169 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.064 12.363 -1.067 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.408 10.761 -0.444 1.00 0.00 H new ATOM 1382 N TYR A 93 -3.232 9.057 -4.654 1.00 0.00 N ATOM 1383 CA TYR A 93 -3.227 8.455 -5.981 1.00 0.00 C ATOM 1384 C TYR A 93 -3.654 6.987 -5.903 1.00 0.00 C ATOM 1385 O TYR A 93 -3.177 6.241 -5.041 1.00 0.00 O ATOM 1386 CB TYR A 93 -1.825 8.551 -6.583 1.00 0.00 C ATOM 1387 CG TYR A 93 -1.874 8.205 -8.052 1.00 0.00 C ATOM 1388 CD1 TYR A 93 -2.133 9.205 -8.998 1.00 0.00 C ATOM 1389 CD2 TYR A 93 -1.661 6.890 -8.468 1.00 0.00 C ATOM 1390 CE1 TYR A 93 -2.179 8.886 -10.358 1.00 0.00 C ATOM 1391 CE2 TYR A 93 -1.706 6.571 -9.826 1.00 0.00 C ATOM 1392 CZ TYR A 93 -1.964 7.568 -10.773 1.00 0.00 C ATOM 1393 OH TYR A 93 -2.009 7.250 -12.115 1.00 0.00 O ATOM 0 H TYR A 93 -3.203 8.383 -3.889 1.00 0.00 H new ATOM 0 HA TYR A 93 -3.934 8.993 -6.613 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.431 9.558 -6.450 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.149 7.873 -6.063 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.297 10.223 -8.676 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -1.461 6.119 -7.739 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.380 9.656 -11.088 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -1.541 5.553 -10.146 1.00 0.00 H new ATOM 0 HH TYR A 93 -1.837 6.292 -12.230 1.00 0.00 H new ATOM 1403 N ALA A 94 -4.529 6.576 -6.824 1.00 0.00 N ATOM 1404 CA ALA A 94 -4.998 5.193 -6.884 1.00 0.00 C ATOM 1405 C ALA A 94 -5.041 4.708 -8.332 1.00 0.00 C ATOM 1406 O ALA A 94 -5.428 5.460 -9.234 1.00 0.00 O ATOM 1407 CB ALA A 94 -6.389 5.076 -6.255 1.00 0.00 C ATOM 0 H ALA A 94 -4.927 7.185 -7.539 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.302 4.569 -6.323 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -6.726 4.041 -6.307 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -6.345 5.392 -5.213 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -7.088 5.712 -6.797 1.00 0.00 H new ATOM 1413 N MET A 95 -4.633 3.451 -8.547 1.00 0.00 N ATOM 1414 CA MET A 95 -4.616 2.863 -9.888 1.00 0.00 C ATOM 1415 C MET A 95 -4.619 1.333 -9.822 1.00 0.00 C ATOM 1416 O MET A 95 -4.509 0.752 -8.744 1.00 0.00 O ATOM 1417 CB MET A 95 -3.402 3.372 -10.702 1.00 0.00 C ATOM 1418 CG MET A 95 -2.082 2.889 -10.075 1.00 0.00 C ATOM 1419 SD MET A 95 -0.694 3.422 -11.109 1.00 0.00 S ATOM 1420 CE MET A 95 -1.046 2.354 -12.526 1.00 0.00 C ATOM 0 H MET A 95 -4.311 2.824 -7.809 1.00 0.00 H new ATOM 0 HA MET A 95 -5.525 3.180 -10.399 1.00 0.00 H new ATOM 0 HB2 MET A 95 -3.473 3.017 -11.730 1.00 0.00 H new ATOM 0 HB3 MET A 95 -3.415 4.461 -10.740 1.00 0.00 H new ATOM 0 HG2 MET A 95 -1.976 3.293 -9.068 1.00 0.00 H new ATOM 0 HG3 MET A 95 -2.086 1.803 -9.984 1.00 0.00 H new ATOM 0 HE1 MET A 95 -0.142 2.231 -13.122 1.00 0.00 H new ATOM 0 HE2 MET A 95 -1.383 1.380 -12.172 1.00 0.00 H new ATOM 0 HE3 MET A 95 -1.825 2.807 -13.139 1.00 0.00 H new ATOM 1430 N ALA A 96 -4.741 0.699 -10.988 1.00 0.00 N ATOM 1431 CA ALA A 96 -4.743 -0.758 -11.084 1.00 0.00 C ATOM 1432 C ALA A 96 -3.885 -1.207 -12.262 1.00 0.00 C ATOM 1433 O ALA A 96 -3.678 -0.440 -13.203 1.00 0.00 O ATOM 1434 CB ALA A 96 -6.182 -1.274 -11.248 1.00 0.00 C ATOM 0 H ALA A 96 -4.840 1.177 -11.884 1.00 0.00 H new ATOM 0 HA ALA A 96 -4.324 -1.173 -10.167 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.173 -2.362 -11.319 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.777 -0.971 -10.387 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.618 -0.855 -12.155 1.00 0.00 H new ATOM 1440 N TYR A 97 -3.370 -2.442 -12.197 1.00 0.00 N ATOM 1441 CA TYR A 97 -2.525 -2.977 -13.276 1.00 0.00 C ATOM 1442 C TYR A 97 -3.155 -4.212 -13.929 1.00 0.00 C ATOM 1443 O TYR A 97 -3.210 -5.284 -13.317 1.00 0.00 O ATOM 1444 CB TYR A 97 -1.144 -3.341 -12.731 1.00 0.00 C ATOM 1445 CG TYR A 97 -0.423 -2.100 -12.262 1.00 0.00 C ATOM 1446 CD1 TYR A 97 -0.506 -1.705 -10.922 1.00 0.00 C ATOM 1447 CD2 TYR A 97 0.336 -1.346 -13.167 1.00 0.00 C ATOM 1448 CE1 TYR A 97 0.170 -0.559 -10.487 1.00 0.00 C ATOM 1449 CE2 TYR A 97 1.010 -0.199 -12.732 1.00 0.00 C ATOM 1450 CZ TYR A 97 0.929 0.194 -11.391 1.00 0.00 C ATOM 1451 OH TYR A 97 1.595 1.323 -10.962 1.00 0.00 O ATOM 0 H TYR A 97 -3.520 -3.084 -11.419 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.431 -2.200 -14.034 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.245 -4.045 -11.905 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -0.560 -3.839 -13.505 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -1.092 -2.284 -10.224 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.401 -1.650 -14.201 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.106 -0.255 -9.453 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.593 0.383 -13.431 1.00 0.00 H new ATOM 0 HH TYR A 97 0.961 2.066 -10.882 1.00 0.00 H new ATOM 1461 N SER A 98 -3.566 -4.070 -15.200 1.00 0.00 N ATOM 1462 CA SER A 98 -4.121 -5.201 -15.966 1.00 0.00 C ATOM 1463 C SER A 98 -3.063 -6.274 -16.146 1.00 0.00 C ATOM 1464 O SER A 98 -3.343 -7.470 -16.029 1.00 0.00 O ATOM 1465 CB SER A 98 -4.597 -4.742 -17.351 1.00 0.00 C ATOM 1466 OG SER A 98 -5.738 -3.911 -17.222 1.00 0.00 O ATOM 0 H SER A 98 -3.526 -3.191 -15.716 1.00 0.00 H new ATOM 0 HA SER A 98 -4.969 -5.600 -15.409 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.798 -4.200 -17.858 1.00 0.00 H new ATOM 0 HB3 SER A 98 -4.836 -5.608 -17.968 1.00 0.00 H new ATOM 0 HG SER A 98 -6.034 -3.621 -18.110 1.00 0.00 H new ATOM 1472 N LYS A 99 -1.844 -5.824 -16.442 1.00 0.00 N ATOM 1473 CA LYS A 99 -0.716 -6.719 -16.654 1.00 0.00 C ATOM 1474 C LYS A 99 0.587 -6.027 -16.274 1.00 0.00 C ATOM 1475 O LYS A 99 0.849 -4.899 -16.705 1.00 0.00 O ATOM 1476 CB LYS A 99 -0.671 -7.167 -18.129 1.00 0.00 C ATOM 1477 CG LYS A 99 0.425 -8.242 -18.345 1.00 0.00 C ATOM 1478 CD LYS A 99 0.016 -9.587 -17.709 1.00 0.00 C ATOM 1479 CE LYS A 99 -1.109 -10.235 -18.528 1.00 0.00 C ATOM 1480 NZ LYS A 99 -1.397 -11.593 -17.986 1.00 0.00 N ATOM 0 H LYS A 99 -1.615 -4.835 -16.540 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.839 -7.597 -16.021 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -1.642 -7.567 -18.422 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.474 -6.307 -18.769 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.599 -8.379 -19.412 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.364 -7.901 -17.910 1.00 0.00 H new ATOM 0 HD2 LYS A 99 0.876 -10.255 -17.666 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -0.316 -9.428 -16.683 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -2.006 -9.617 -18.487 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -0.817 -10.304 -19.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.159 -12.033 -18.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -0.541 -12.180 -18.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -1.692 -11.515 -16.992 1.00 0.00 H new ATOM 1494 N ALA A 100 1.406 -6.719 -15.484 1.00 0.00 N ATOM 1495 CA ALA A 100 2.698 -6.189 -15.056 1.00 0.00 C ATOM 1496 C ALA A 100 3.744 -6.431 -16.132 1.00 0.00 C ATOM 1497 O ALA A 100 3.737 -7.481 -16.787 1.00 0.00 O ATOM 1498 CB ALA A 100 3.135 -6.847 -13.748 1.00 0.00 C ATOM 0 H ALA A 100 1.196 -7.651 -15.127 1.00 0.00 H new ATOM 0 HA ALA A 100 2.597 -5.116 -14.893 1.00 0.00 H new ATOM 0 HB1 ALA A 100 4.099 -6.442 -13.441 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.394 -6.645 -12.974 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.223 -7.924 -13.894 1.00 0.00 H new ATOM 1599 N ASP A 107 3.807 -2.792 -19.163 1.00 0.00 N ATOM 1600 CA ASP A 107 2.878 -2.644 -18.039 1.00 0.00 C ATOM 1601 C ASP A 107 1.609 -1.929 -18.489 1.00 0.00 C ATOM 1602 O ASP A 107 1.654 -0.753 -18.870 1.00 0.00 O ATOM 1603 CB ASP A 107 3.542 -1.856 -16.902 1.00 0.00 C ATOM 1604 CG ASP A 107 2.587 -1.730 -15.716 1.00 0.00 C ATOM 1605 OD1 ASP A 107 2.327 -2.738 -15.081 1.00 0.00 O ATOM 1606 OD2 ASP A 107 2.129 -0.628 -15.463 1.00 0.00 O ATOM 0 HA ASP A 107 2.614 -3.638 -17.677 1.00 0.00 H new ATOM 0 HB2 ASP A 107 4.457 -2.358 -16.589 1.00 0.00 H new ATOM 0 HB3 ASP A 107 3.827 -0.865 -17.255 1.00 0.00 H new ATOM 1611 N VAL A 108 0.476 -2.643 -18.443 1.00 0.00 N ATOM 1612 CA VAL A 108 -0.808 -2.062 -18.858 1.00 0.00 C ATOM 1613 C VAL A 108 -1.657 -1.661 -17.606 1.00 0.00 C ATOM 1614 O VAL A 108 -2.226 -2.536 -16.946 1.00 0.00 O ATOM 1615 CB VAL A 108 -1.589 -3.090 -19.726 1.00 0.00 C ATOM 1616 CG1 VAL A 108 -2.931 -2.496 -20.183 1.00 0.00 C ATOM 1617 CG2 VAL A 108 -0.760 -3.453 -20.971 1.00 0.00 C ATOM 0 H VAL A 108 0.422 -3.611 -18.127 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.617 -1.165 -19.446 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.773 -3.980 -19.124 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.465 -3.228 -20.789 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.532 -2.240 -19.310 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.749 -1.598 -20.774 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.310 -4.173 -21.577 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.572 -2.554 -21.558 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.190 -3.889 -20.661 1.00 0.00 H new ATOM 1627 N PRO A 109 -1.796 -0.344 -17.296 1.00 0.00 N ATOM 1628 CA PRO A 109 -2.637 0.133 -16.157 1.00 0.00 C ATOM 1629 C PRO A 109 -4.087 0.379 -16.556 1.00 0.00 C ATOM 1630 O PRO A 109 -4.382 0.748 -17.695 1.00 0.00 O ATOM 1631 CB PRO A 109 -1.957 1.434 -15.774 1.00 0.00 C ATOM 1632 CG PRO A 109 -1.517 2.011 -17.083 1.00 0.00 C ATOM 1633 CD PRO A 109 -1.159 0.821 -17.983 1.00 0.00 C ATOM 0 HA PRO A 109 -2.699 -0.598 -15.351 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -2.641 2.103 -15.252 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -1.111 1.261 -15.109 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.310 2.611 -17.529 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -0.658 2.668 -16.948 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -1.547 0.952 -18.993 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -0.080 0.694 -18.070 1.00 0.00 H new ATOM 1641 N LEU A 110 -4.972 0.191 -15.590 1.00 0.00 N ATOM 1642 CA LEU A 110 -6.405 0.402 -15.776 1.00 0.00 C ATOM 1643 C LEU A 110 -6.725 1.896 -15.873 1.00 0.00 C ATOM 1644 O LEU A 110 -6.066 2.722 -15.232 1.00 0.00 O ATOM 1645 CB LEU A 110 -7.171 -0.212 -14.581 1.00 0.00 C ATOM 1646 CG LEU A 110 -7.360 -1.758 -14.727 1.00 0.00 C ATOM 1647 CD1 LEU A 110 -8.234 -2.101 -15.944 1.00 0.00 C ATOM 1648 CD2 LEU A 110 -6.007 -2.478 -14.844 1.00 0.00 C ATOM 0 H LEU A 110 -4.719 -0.113 -14.650 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.712 -0.080 -16.704 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -6.631 0.000 -13.658 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -8.148 0.265 -14.495 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.864 -2.104 -13.824 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -8.346 -3.183 -16.018 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -9.215 -1.641 -15.828 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -7.761 -1.723 -16.850 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.173 -3.551 -14.944 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -5.474 -2.110 -15.720 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -5.413 -2.285 -13.950 1.00 0.00 H new ATOM 1660 N LYS A 111 -7.741 2.232 -16.676 1.00 0.00 N ATOM 1661 CA LYS A 111 -8.159 3.623 -16.863 1.00 0.00 C ATOM 1662 C LYS A 111 -8.827 4.161 -15.591 1.00 0.00 C ATOM 1663 O LYS A 111 -9.743 3.535 -15.050 1.00 0.00 O ATOM 1664 CB LYS A 111 -9.123 3.708 -18.058 1.00 0.00 C ATOM 1665 CG LYS A 111 -9.399 5.173 -18.415 1.00 0.00 C ATOM 1666 CD LYS A 111 -10.211 5.236 -19.716 1.00 0.00 C ATOM 1667 CE LYS A 111 -10.404 6.698 -20.135 1.00 0.00 C ATOM 1668 NZ LYS A 111 -11.183 6.756 -21.402 1.00 0.00 N ATOM 0 H LYS A 111 -8.289 1.556 -17.208 1.00 0.00 H new ATOM 0 HA LYS A 111 -7.282 4.237 -17.066 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -8.695 3.192 -18.917 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.058 3.203 -17.816 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -9.947 5.659 -17.607 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -8.460 5.713 -18.533 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -9.696 4.687 -20.504 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -11.180 4.757 -19.575 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -10.926 7.246 -19.350 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -9.435 7.179 -20.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -11.313 7.748 -21.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -10.669 6.248 -22.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -12.113 6.312 -21.259 1.00 0.00 H new ATOM 1682 N THR A 112 -8.350 5.324 -15.121 1.00 0.00 N ATOM 1683 CA THR A 112 -8.888 5.951 -13.900 1.00 0.00 C ATOM 1684 C THR A 112 -10.392 6.211 -14.017 1.00 0.00 C ATOM 1685 O THR A 112 -11.127 6.115 -13.029 1.00 0.00 O ATOM 1686 CB THR A 112 -8.140 7.265 -13.589 1.00 0.00 C ATOM 1687 OG1 THR A 112 -8.691 7.855 -12.420 1.00 0.00 O ATOM 1688 CG2 THR A 112 -8.260 8.247 -14.766 1.00 0.00 C ATOM 0 H THR A 112 -7.596 5.849 -15.564 1.00 0.00 H new ATOM 0 HA THR A 112 -8.732 5.254 -13.077 1.00 0.00 H new ATOM 0 HB THR A 112 -7.086 7.040 -13.429 1.00 0.00 H new ATOM 0 HG1 THR A 112 -8.217 8.689 -12.220 1.00 0.00 H new ATOM 0 HG21 THR A 112 -7.726 9.167 -14.528 1.00 0.00 H new ATOM 0 HG22 THR A 112 -7.828 7.798 -15.660 1.00 0.00 H new ATOM 0 HG23 THR A 112 -9.311 8.473 -14.945 1.00 0.00 H new ATOM 1696 N GLU A 113 -10.839 6.515 -15.236 1.00 0.00 N ATOM 1697 CA GLU A 113 -12.260 6.773 -15.506 1.00 0.00 C ATOM 1698 C GLU A 113 -13.120 5.501 -15.382 1.00 0.00 C ATOM 1699 O GLU A 113 -14.350 5.574 -15.448 1.00 0.00 O ATOM 1700 CB GLU A 113 -12.435 7.361 -16.890 1.00 0.00 C ATOM 1701 CG GLU A 113 -11.849 8.781 -16.930 1.00 0.00 C ATOM 1702 CD GLU A 113 -12.075 9.453 -18.307 1.00 0.00 C ATOM 1703 OE1 GLU A 113 -12.623 8.811 -19.198 1.00 0.00 O ATOM 1704 OE2 GLU A 113 -11.692 10.603 -18.445 1.00 0.00 O ATOM 0 H GLU A 113 -10.238 6.590 -16.057 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.600 7.484 -14.753 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -11.938 6.732 -17.628 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -13.492 7.386 -17.153 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -12.309 9.387 -16.149 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -10.781 8.741 -16.715 1.00 0.00 H new ATOM 1711 N GLU A 114 -12.467 4.352 -15.204 1.00 0.00 N ATOM 1712 CA GLU A 114 -13.157 3.076 -15.067 1.00 0.00 C ATOM 1713 C GLU A 114 -14.058 3.091 -13.821 1.00 0.00 C ATOM 1714 O GLU A 114 -15.139 2.493 -13.820 1.00 0.00 O ATOM 1715 CB GLU A 114 -12.120 1.942 -14.952 1.00 0.00 C ATOM 1716 CG GLU A 114 -12.824 0.569 -14.879 1.00 0.00 C ATOM 1717 CD GLU A 114 -11.802 -0.588 -14.747 1.00 0.00 C ATOM 1718 OE1 GLU A 114 -10.604 -0.321 -14.696 1.00 0.00 O ATOM 1719 OE2 GLU A 114 -12.240 -1.724 -14.694 1.00 0.00 O ATOM 0 H GLU A 114 -11.451 4.283 -15.151 1.00 0.00 H new ATOM 0 HA GLU A 114 -13.780 2.910 -15.946 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -11.448 1.967 -15.810 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -11.507 2.091 -14.063 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -13.505 0.553 -14.028 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -13.429 0.421 -15.774 1.00 0.00 H new ATOM 1726 N PHE A 115 -13.581 3.749 -12.761 1.00 0.00 N ATOM 1727 CA PHE A 115 -14.322 3.820 -11.498 1.00 0.00 C ATOM 1728 C PHE A 115 -14.010 5.112 -10.734 1.00 0.00 C ATOM 1729 O PHE A 115 -13.013 5.785 -11.004 1.00 0.00 O ATOM 1730 CB PHE A 115 -14.020 2.580 -10.627 1.00 0.00 C ATOM 1731 CG PHE A 115 -12.544 2.524 -10.275 1.00 0.00 C ATOM 1732 CD1 PHE A 115 -12.084 3.139 -9.106 1.00 0.00 C ATOM 1733 CD2 PHE A 115 -11.646 1.862 -11.120 1.00 0.00 C ATOM 1734 CE1 PHE A 115 -10.724 3.093 -8.780 1.00 0.00 C ATOM 1735 CE2 PHE A 115 -10.285 1.815 -10.795 1.00 0.00 C ATOM 1736 CZ PHE A 115 -9.824 2.430 -9.625 1.00 0.00 C ATOM 0 H PHE A 115 -12.687 4.239 -12.752 1.00 0.00 H new ATOM 0 HA PHE A 115 -15.386 3.830 -11.734 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -14.616 2.615 -9.715 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -14.307 1.674 -11.161 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -12.778 3.649 -8.455 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -12.003 1.388 -12.022 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -10.368 3.568 -7.878 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -9.591 1.305 -11.447 1.00 0.00 H new ATOM 0 HZ PHE A 115 -8.774 2.393 -9.374 1.00 0.00 H new ATOM 1746 N GLU A 116 -14.890 5.447 -9.792 1.00 0.00 N ATOM 1747 CA GLU A 116 -14.756 6.657 -8.980 1.00 0.00 C ATOM 1748 C GLU A 116 -14.539 6.290 -7.506 1.00 0.00 C ATOM 1749 O GLU A 116 -15.232 5.423 -6.971 1.00 0.00 O ATOM 1750 CB GLU A 116 -16.025 7.518 -9.144 1.00 0.00 C ATOM 1751 CG GLU A 116 -15.926 8.812 -8.304 1.00 0.00 C ATOM 1752 CD GLU A 116 -14.773 9.712 -8.791 1.00 0.00 C ATOM 1753 OE1 GLU A 116 -14.344 9.560 -9.932 1.00 0.00 O ATOM 1754 OE2 GLU A 116 -14.336 10.545 -8.013 1.00 0.00 O ATOM 0 H GLU A 116 -15.715 4.889 -9.570 1.00 0.00 H new ATOM 0 HA GLU A 116 -13.889 7.226 -9.316 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -16.164 7.772 -10.195 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -16.900 6.946 -8.836 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -16.867 9.359 -8.364 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -15.772 8.556 -7.256 1.00 0.00 H new ATOM 1761 N VAL A 117 -13.574 6.966 -6.860 1.00 0.00 N ATOM 1762 CA VAL A 117 -13.266 6.710 -5.444 1.00 0.00 C ATOM 1763 C VAL A 117 -13.353 7.994 -4.612 1.00 0.00 C ATOM 1764 O VAL A 117 -13.059 9.089 -5.101 1.00 0.00 O ATOM 1765 CB VAL A 117 -11.869 6.071 -5.292 1.00 0.00 C ATOM 1766 CG1 VAL A 117 -11.840 4.720 -6.008 1.00 0.00 C ATOM 1767 CG2 VAL A 117 -10.792 6.989 -5.897 1.00 0.00 C ATOM 0 H VAL A 117 -12.998 7.688 -7.292 1.00 0.00 H new ATOM 0 HA VAL A 117 -14.013 6.011 -5.069 1.00 0.00 H new ATOM 0 HB VAL A 117 -11.663 5.931 -4.231 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -10.853 4.272 -5.899 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -12.589 4.060 -5.570 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -12.058 4.864 -7.066 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -9.812 6.525 -5.782 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -10.999 7.143 -6.956 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -10.801 7.949 -5.382 1.00 0.00 H new ATOM 1777 N THR A 118 -13.764 7.835 -3.352 1.00 0.00 N ATOM 1778 CA THR A 118 -13.905 8.956 -2.422 1.00 0.00 C ATOM 1779 C THR A 118 -13.389 8.563 -1.046 1.00 0.00 C ATOM 1780 O THR A 118 -13.297 7.374 -0.723 1.00 0.00 O ATOM 1781 CB THR A 118 -15.371 9.396 -2.323 1.00 0.00 C ATOM 1782 OG1 THR A 118 -15.909 9.544 -3.630 1.00 0.00 O ATOM 1783 CG2 THR A 118 -15.457 10.736 -1.587 1.00 0.00 C ATOM 0 H THR A 118 -14.007 6.930 -2.950 1.00 0.00 H new ATOM 0 HA THR A 118 -13.316 9.791 -2.800 1.00 0.00 H new ATOM 0 HB THR A 118 -15.938 8.643 -1.775 1.00 0.00 H new ATOM 0 HG1 THR A 118 -16.846 9.824 -3.568 1.00 0.00 H new ATOM 0 HG21 THR A 118 -16.499 11.047 -1.518 1.00 0.00 H new ATOM 0 HG22 THR A 118 -15.043 10.628 -0.584 1.00 0.00 H new ATOM 0 HG23 THR A 118 -14.890 11.489 -2.134 1.00 0.00 H new ATOM 1791 N LYS A 119 -13.037 9.567 -0.251 1.00 0.00 N ATOM 1792 CA LYS A 119 -12.507 9.342 1.093 1.00 0.00 C ATOM 1793 C LYS A 119 -13.481 8.535 1.975 1.00 0.00 C ATOM 1794 O LYS A 119 -13.070 7.969 2.994 1.00 0.00 O ATOM 1795 CB LYS A 119 -12.176 10.695 1.759 1.00 0.00 C ATOM 1796 CG LYS A 119 -13.466 11.524 1.952 1.00 0.00 C ATOM 1797 CD LYS A 119 -13.115 13.004 2.273 1.00 0.00 C ATOM 1798 CE LYS A 119 -13.170 13.853 0.995 1.00 0.00 C ATOM 1799 NZ LYS A 119 -11.932 13.632 0.193 1.00 0.00 N ATOM 0 H LYS A 119 -13.109 10.550 -0.514 1.00 0.00 H new ATOM 0 HA LYS A 119 -11.597 8.750 0.995 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -11.696 10.526 2.723 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -11.468 11.249 1.142 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.076 11.475 1.050 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -14.060 11.101 2.762 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -13.814 13.399 3.011 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -12.120 13.062 2.714 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -14.048 13.587 0.407 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -13.266 14.908 1.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -11.802 14.423 -0.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -11.112 13.575 0.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -12.018 12.744 -0.341 1.00 0.00 H new ATOM 1813 N THR A 120 -14.776 8.536 1.608 1.00 0.00 N ATOM 1814 CA THR A 120 -15.796 7.852 2.417 1.00 0.00 C ATOM 1815 C THR A 120 -16.846 7.093 1.564 1.00 0.00 C ATOM 1816 O THR A 120 -17.819 6.562 2.112 1.00 0.00 O ATOM 1817 CB THR A 120 -16.482 8.878 3.339 1.00 0.00 C ATOM 1818 OG1 THR A 120 -17.386 8.214 4.212 1.00 0.00 O ATOM 1819 CG2 THR A 120 -17.238 9.925 2.505 1.00 0.00 C ATOM 0 H THR A 120 -15.134 8.995 0.771 1.00 0.00 H new ATOM 0 HA THR A 120 -15.288 7.092 3.011 1.00 0.00 H new ATOM 0 HB THR A 120 -15.718 9.384 3.929 1.00 0.00 H new ATOM 0 HG1 THR A 120 -17.855 7.507 3.721 1.00 0.00 H new ATOM 0 HG21 THR A 120 -17.717 10.643 3.170 1.00 0.00 H new ATOM 0 HG22 THR A 120 -16.537 10.446 1.853 1.00 0.00 H new ATOM 0 HG23 THR A 120 -17.996 9.429 1.899 1.00 0.00 H new ATOM 1827 N ALA A 121 -16.650 7.058 0.233 1.00 0.00 N ATOM 1828 CA ALA A 121 -17.599 6.377 -0.664 1.00 0.00 C ATOM 1829 C ALA A 121 -16.934 5.949 -1.972 1.00 0.00 C ATOM 1830 O ALA A 121 -15.864 6.443 -2.323 1.00 0.00 O ATOM 1831 CB ALA A 121 -18.788 7.291 -0.964 1.00 0.00 C ATOM 0 H ALA A 121 -15.854 7.487 -0.239 1.00 0.00 H new ATOM 0 HA ALA A 121 -17.947 5.479 -0.154 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -19.483 6.777 -1.628 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -19.296 7.545 -0.033 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -18.434 8.203 -1.445 1.00 0.00 H new ATOM 1837 N VAL A 122 -17.584 5.020 -2.686 1.00 0.00 N ATOM 1838 CA VAL A 122 -17.070 4.522 -3.964 1.00 0.00 C ATOM 1839 C VAL A 122 -18.230 4.260 -4.948 1.00 0.00 C ATOM 1840 O VAL A 122 -19.293 3.776 -4.544 1.00 0.00 O ATOM 1841 CB VAL A 122 -16.229 3.240 -3.729 1.00 0.00 C ATOM 1842 CG1 VAL A 122 -17.108 2.117 -3.165 1.00 0.00 C ATOM 1843 CG2 VAL A 122 -15.586 2.780 -5.045 1.00 0.00 C ATOM 0 H VAL A 122 -18.467 4.599 -2.398 1.00 0.00 H new ATOM 0 HA VAL A 122 -16.424 5.279 -4.410 1.00 0.00 H new ATOM 0 HB VAL A 122 -15.445 3.471 -3.008 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -16.502 1.225 -3.006 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -17.541 2.435 -2.216 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -17.907 1.891 -3.871 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -14.998 1.879 -4.867 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -16.366 2.566 -5.776 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -14.937 3.568 -5.427 1.00 0.00 H new ATOM 1853 N ALA A 123 -18.018 4.594 -6.234 1.00 0.00 N ATOM 1854 CA ALA A 123 -19.054 4.400 -7.258 1.00 0.00 C ATOM 1855 C ALA A 123 -18.444 4.001 -8.598 1.00 0.00 C ATOM 1856 O ALA A 123 -17.324 4.398 -8.924 1.00 0.00 O ATOM 1857 CB ALA A 123 -19.874 5.679 -7.427 1.00 0.00 C ATOM 0 H ALA A 123 -17.148 4.995 -6.584 1.00 0.00 H new ATOM 0 HA ALA A 123 -19.704 3.591 -6.924 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -20.638 5.523 -8.188 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -20.351 5.933 -6.480 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -19.218 6.494 -7.733 1.00 0.00 H new ATOM 1863 N HIS A 124 -19.200 3.212 -9.372 1.00 0.00 N ATOM 1864 CA HIS A 124 -18.753 2.749 -10.685 1.00 0.00 C ATOM 1865 C HIS A 124 -18.952 3.827 -11.756 1.00 0.00 C ATOM 1866 O HIS A 124 -19.782 4.728 -11.601 1.00 0.00 O ATOM 1867 CB HIS A 124 -19.487 1.448 -11.080 1.00 0.00 C ATOM 1868 CG HIS A 124 -20.979 1.685 -11.183 1.00 0.00 C ATOM 1869 ND1 HIS A 124 -21.789 1.794 -10.063 1.00 0.00 N ATOM 1870 CD2 HIS A 124 -21.811 1.827 -12.265 1.00 0.00 C ATOM 1871 CE1 HIS A 124 -23.050 1.993 -10.494 1.00 0.00 C ATOM 1872 NE2 HIS A 124 -23.119 2.021 -11.828 1.00 0.00 N ATOM 0 H HIS A 124 -20.128 2.882 -9.107 1.00 0.00 H new ATOM 0 HA HIS A 124 -17.685 2.540 -10.619 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -19.105 1.084 -12.034 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -19.287 0.673 -10.340 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -21.499 1.793 -13.298 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -23.901 2.115 -9.841 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -23.951 2.156 -12.403 1.00 0.00 H new ATOM 1880 N ARG A 125 -18.186 3.711 -12.838 1.00 0.00 N ATOM 1881 CA ARG A 125 -18.259 4.651 -13.957 1.00 0.00 C ATOM 1882 C ARG A 125 -18.761 3.938 -15.232 1.00 0.00 C ATOM 1883 O ARG A 125 -18.627 2.714 -15.336 1.00 0.00 O ATOM 1884 CB ARG A 125 -16.871 5.262 -14.210 1.00 0.00 C ATOM 1885 CG ARG A 125 -16.410 6.075 -12.964 1.00 0.00 C ATOM 1886 CD ARG A 125 -16.778 7.568 -13.118 1.00 0.00 C ATOM 1887 NE ARG A 125 -18.228 7.741 -13.358 1.00 0.00 N ATOM 1888 CZ ARG A 125 -19.161 7.685 -12.371 1.00 0.00 C ATOM 1889 NH1 ARG A 125 -18.821 7.449 -11.119 1.00 0.00 N ATOM 1890 NH2 ARG A 125 -20.419 7.871 -12.669 1.00 0.00 N ATOM 0 H ARG A 125 -17.500 2.967 -12.965 1.00 0.00 H new ATOM 0 HA ARG A 125 -18.963 5.444 -13.704 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -16.151 4.472 -14.426 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -16.904 5.911 -15.085 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -16.878 5.671 -12.066 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -15.333 5.972 -12.835 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -16.489 8.111 -12.218 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -16.216 8.000 -13.946 1.00 0.00 H new ATOM 0 HE ARG A 125 -18.543 7.911 -14.313 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -17.841 7.304 -10.875 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -19.538 7.411 -10.394 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -20.693 8.056 -13.634 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -21.128 7.831 -11.937 1.00 0.00 H new ATOM 1904 N PRO A 126 -19.321 4.672 -16.227 1.00 0.00 N ATOM 1905 CA PRO A 126 -19.800 4.039 -17.499 1.00 0.00 C ATOM 1906 C PRO A 126 -18.636 3.437 -18.271 1.00 0.00 C ATOM 1907 O PRO A 126 -17.508 3.938 -18.194 1.00 0.00 O ATOM 1908 CB PRO A 126 -20.428 5.205 -18.278 1.00 0.00 C ATOM 1909 CG PRO A 126 -19.781 6.430 -17.723 1.00 0.00 C ATOM 1910 CD PRO A 126 -19.550 6.143 -16.245 1.00 0.00 C ATOM 0 HA PRO A 126 -20.502 3.223 -17.326 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -20.243 5.111 -19.348 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -21.509 5.234 -18.143 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -18.841 6.641 -18.232 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -20.419 7.304 -17.857 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -18.692 6.691 -15.856 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -20.410 6.426 -15.639 1.00 0.00 H new ATOM 1918 N GLY A 127 -18.904 2.336 -18.977 1.00 0.00 N ATOM 1919 CA GLY A 127 -17.857 1.630 -19.721 1.00 0.00 C ATOM 1920 C GLY A 127 -17.016 0.719 -18.795 1.00 0.00 C ATOM 1921 O GLY A 127 -15.936 0.265 -19.183 1.00 0.00 O ATOM 0 H GLY A 127 -19.831 1.916 -19.049 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -18.312 1.029 -20.508 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -17.205 2.355 -20.209 1.00 0.00 H new ATOM 1925 N ALA A 128 -17.518 0.473 -17.566 1.00 0.00 N ATOM 1926 CA ALA A 128 -16.815 -0.357 -16.590 1.00 0.00 C ATOM 1927 C ALA A 128 -16.485 -1.728 -17.173 1.00 0.00 C ATOM 1928 O ALA A 128 -17.228 -2.259 -18.003 1.00 0.00 O ATOM 1929 CB ALA A 128 -17.665 -0.522 -15.326 1.00 0.00 C ATOM 0 H ALA A 128 -18.409 0.842 -17.235 1.00 0.00 H new ATOM 0 HA ALA A 128 -15.881 0.143 -16.334 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -17.131 -1.142 -14.607 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -17.859 0.457 -14.888 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -18.611 -0.998 -15.583 1.00 0.00 H new ATOM 1935 N PHE A 129 -15.343 -2.270 -16.755 1.00 0.00 N ATOM 1936 CA PHE A 129 -14.859 -3.565 -17.246 1.00 0.00 C ATOM 1937 C PHE A 129 -15.461 -4.727 -16.467 1.00 0.00 C ATOM 1938 O PHE A 129 -15.695 -4.623 -15.259 1.00 0.00 O ATOM 1939 CB PHE A 129 -13.336 -3.626 -17.145 1.00 0.00 C ATOM 1940 CG PHE A 129 -12.718 -2.703 -18.173 1.00 0.00 C ATOM 1941 CD1 PHE A 129 -12.490 -1.360 -17.865 1.00 0.00 C ATOM 1942 CD2 PHE A 129 -12.372 -3.199 -19.436 1.00 0.00 C ATOM 1943 CE1 PHE A 129 -11.918 -0.508 -18.819 1.00 0.00 C ATOM 1944 CE2 PHE A 129 -11.800 -2.350 -20.390 1.00 0.00 C ATOM 1945 CZ PHE A 129 -11.571 -1.004 -20.082 1.00 0.00 C ATOM 0 H PHE A 129 -14.728 -1.830 -16.071 1.00 0.00 H new ATOM 0 HA PHE A 129 -15.169 -3.656 -18.287 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -13.017 -3.336 -16.144 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -12.992 -4.648 -17.306 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -12.755 -0.978 -16.890 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -12.547 -4.238 -19.674 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -11.745 0.531 -18.580 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -11.535 -2.733 -21.364 1.00 0.00 H new ATOM 0 HZ PHE A 129 -11.127 -0.349 -20.817 1.00 0.00 H new ATOM 1955 N LYS A 130 -15.682 -5.848 -17.170 1.00 0.00 N ATOM 1956 CA LYS A 130 -16.231 -7.058 -16.547 1.00 0.00 C ATOM 1957 C LYS A 130 -15.278 -8.244 -16.735 1.00 0.00 C ATOM 1958 O LYS A 130 -14.862 -8.881 -15.765 1.00 0.00 O ATOM 1959 CB LYS A 130 -17.596 -7.405 -17.162 1.00 0.00 C ATOM 1960 CG LYS A 130 -18.593 -6.263 -16.905 1.00 0.00 C ATOM 1961 CD LYS A 130 -19.989 -6.637 -17.455 1.00 0.00 C ATOM 1962 CE LYS A 130 -19.990 -6.632 -19.000 1.00 0.00 C ATOM 1963 NZ LYS A 130 -19.764 -5.244 -19.510 1.00 0.00 N ATOM 0 H LYS A 130 -15.489 -5.940 -18.167 1.00 0.00 H new ATOM 0 HA LYS A 130 -16.352 -6.861 -15.482 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -17.490 -7.572 -18.234 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -17.973 -8.332 -16.731 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -18.658 -6.061 -15.836 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -18.240 -5.348 -17.381 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -20.276 -7.623 -17.090 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -20.732 -5.931 -17.084 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -19.211 -7.296 -19.374 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -20.941 -7.014 -19.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -20.079 -5.182 -20.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -20.305 -4.569 -18.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -18.751 -5.014 -19.454 1.00 0.00 H new ATOM 1977 N ALA A 131 -14.959 -8.537 -17.997 1.00 0.00 N ATOM 1978 CA ALA A 131 -14.078 -9.661 -18.346 1.00 0.00 C ATOM 1979 C ALA A 131 -12.616 -9.412 -17.939 1.00 0.00 C ATOM 1980 O ALA A 131 -11.833 -10.361 -17.825 1.00 0.00 O ATOM 1981 CB ALA A 131 -14.149 -9.930 -19.849 1.00 0.00 C ATOM 0 H ALA A 131 -15.298 -8.010 -18.801 1.00 0.00 H new ATOM 0 HA ALA A 131 -14.431 -10.529 -17.789 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -13.494 -10.764 -20.101 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -15.174 -10.177 -20.126 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -13.830 -9.041 -20.393 1.00 0.00 H new ATOM 1987 N GLU A 132 -12.246 -8.135 -17.779 1.00 0.00 N ATOM 1988 CA GLU A 132 -10.866 -7.764 -17.453 1.00 0.00 C ATOM 1989 C GLU A 132 -10.557 -8.004 -15.973 1.00 0.00 C ATOM 1990 O GLU A 132 -11.352 -7.660 -15.095 1.00 0.00 O ATOM 1991 CB GLU A 132 -10.621 -6.289 -17.815 1.00 0.00 C ATOM 1992 CG GLU A 132 -9.121 -5.944 -17.666 1.00 0.00 C ATOM 1993 CD GLU A 132 -8.259 -6.746 -18.664 1.00 0.00 C ATOM 1994 OE1 GLU A 132 -8.782 -7.162 -19.692 1.00 0.00 O ATOM 1995 OE2 GLU A 132 -7.086 -6.929 -18.379 1.00 0.00 O ATOM 0 H GLU A 132 -12.883 -7.344 -17.870 1.00 0.00 H new ATOM 0 HA GLU A 132 -10.198 -8.396 -18.039 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -10.945 -6.100 -18.838 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -11.216 -5.645 -17.168 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -8.973 -4.877 -17.830 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -8.796 -6.158 -16.648 1.00 0.00 H new ATOM 2002 N LEU A 133 -9.377 -8.582 -15.716 1.00 0.00 N ATOM 2003 CA LEU A 133 -8.921 -8.863 -14.354 1.00 0.00 C ATOM 2004 C LEU A 133 -7.611 -8.120 -14.079 1.00 0.00 C ATOM 2005 O LEU A 133 -6.785 -7.957 -14.986 1.00 0.00 O ATOM 2006 CB LEU A 133 -8.730 -10.387 -14.152 1.00 0.00 C ATOM 2007 CG LEU A 133 -7.704 -10.962 -15.189 1.00 0.00 C ATOM 2008 CD1 LEU A 133 -6.934 -12.136 -14.574 1.00 0.00 C ATOM 2009 CD2 LEU A 133 -8.435 -11.461 -16.449 1.00 0.00 C ATOM 0 H LEU A 133 -8.718 -8.865 -16.441 1.00 0.00 H new ATOM 0 HA LEU A 133 -9.678 -8.516 -13.650 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -8.378 -10.583 -13.139 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -9.688 -10.896 -14.261 1.00 0.00 H new ATOM 0 HG LEU A 133 -7.012 -10.164 -15.459 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -6.224 -12.527 -15.303 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -6.395 -11.795 -13.690 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -7.634 -12.922 -14.291 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -7.708 -11.857 -17.158 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -9.139 -12.247 -16.174 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -8.976 -10.633 -16.908 1.00 0.00 H new ATOM 2021 N SER A 134 -7.456 -7.607 -12.844 1.00 0.00 N ATOM 2022 CA SER A 134 -6.274 -6.814 -12.493 1.00 0.00 C ATOM 2023 C SER A 134 -6.101 -6.685 -10.998 1.00 0.00 C ATOM 2024 O SER A 134 -6.949 -7.126 -10.219 1.00 0.00 O ATOM 2025 CB SER A 134 -6.391 -5.425 -13.094 1.00 0.00 C ATOM 2026 OG SER A 134 -7.421 -4.707 -12.424 1.00 0.00 O ATOM 0 H SER A 134 -8.127 -7.728 -12.085 1.00 0.00 H new ATOM 0 HA SER A 134 -5.404 -7.334 -12.894 1.00 0.00 H new ATOM 0 HB2 SER A 134 -5.443 -4.895 -13.001 1.00 0.00 H new ATOM 0 HB3 SER A 134 -6.614 -5.495 -14.159 1.00 0.00 H new ATOM 0 HG SER A 134 -7.932 -4.183 -13.076 1.00 0.00 H new ATOM 2032 N LYS A 135 -5.013 -6.001 -10.606 1.00 0.00 N ATOM 2033 CA LYS A 135 -4.741 -5.722 -9.211 1.00 0.00 C ATOM 2034 C LYS A 135 -4.790 -4.219 -8.946 1.00 0.00 C ATOM 2035 O LYS A 135 -4.586 -3.418 -9.858 1.00 0.00 O ATOM 2036 CB LYS A 135 -3.376 -6.301 -8.780 1.00 0.00 C ATOM 2037 CG LYS A 135 -2.245 -5.720 -9.646 1.00 0.00 C ATOM 2038 CD LYS A 135 -0.907 -6.335 -9.219 1.00 0.00 C ATOM 2039 CE LYS A 135 0.215 -5.849 -10.147 1.00 0.00 C ATOM 2040 NZ LYS A 135 0.412 -4.373 -9.990 1.00 0.00 N ATOM 0 H LYS A 135 -4.312 -5.635 -11.250 1.00 0.00 H new ATOM 0 HA LYS A 135 -5.515 -6.207 -8.616 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -3.192 -6.072 -7.730 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -3.390 -7.387 -8.871 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -2.434 -5.930 -10.699 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -2.210 -4.636 -9.538 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -0.683 -6.059 -8.189 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -0.971 -7.423 -9.251 1.00 0.00 H new ATOM 0 HE2 LYS A 135 1.142 -6.374 -9.915 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -0.033 -6.082 -11.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 1.295 -4.089 -10.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -0.389 -3.868 -10.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 0.467 -4.136 -8.979 1.00 0.00 H new ATOM 2054 N LEU A 136 -5.104 -3.850 -7.699 1.00 0.00 N ATOM 2055 CA LEU A 136 -5.236 -2.434 -7.315 1.00 0.00 C ATOM 2056 C LEU A 136 -4.118 -1.985 -6.382 1.00 0.00 C ATOM 2057 O LEU A 136 -3.622 -2.760 -5.560 1.00 0.00 O ATOM 2058 CB LEU A 136 -6.593 -2.189 -6.638 1.00 0.00 C ATOM 2059 CG LEU A 136 -7.733 -2.281 -7.664 1.00 0.00 C ATOM 2060 CD1 LEU A 136 -9.074 -2.405 -6.924 1.00 0.00 C ATOM 2061 CD2 LEU A 136 -7.759 -1.000 -8.539 1.00 0.00 C ATOM 0 H LEU A 136 -5.272 -4.508 -6.938 1.00 0.00 H new ATOM 0 HA LEU A 136 -5.167 -1.848 -8.231 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -6.748 -2.922 -5.847 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -6.599 -1.206 -6.167 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.573 -3.153 -8.298 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -9.885 -2.470 -7.649 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -9.067 -3.303 -6.306 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -9.223 -1.530 -6.291 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -8.569 -1.071 -9.264 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -7.916 -0.128 -7.904 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -6.809 -0.899 -9.065 1.00 0.00 H new ATOM 2073 N VAL A 137 -3.777 -0.697 -6.485 1.00 0.00 N ATOM 2074 CA VAL A 137 -2.775 -0.080 -5.631 1.00 0.00 C ATOM 2075 C VAL A 137 -3.269 1.311 -5.199 1.00 0.00 C ATOM 2076 O VAL A 137 -3.693 2.114 -6.037 1.00 0.00 O ATOM 2077 CB VAL A 137 -1.416 0.005 -6.372 1.00 0.00 C ATOM 2078 CG1 VAL A 137 -1.516 0.923 -7.604 1.00 0.00 C ATOM 2079 CG2 VAL A 137 -0.336 0.533 -5.419 1.00 0.00 C ATOM 0 H VAL A 137 -4.191 -0.059 -7.164 1.00 0.00 H new ATOM 0 HA VAL A 137 -2.623 -0.688 -4.739 1.00 0.00 H new ATOM 0 HB VAL A 137 -1.147 -0.996 -6.710 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -0.549 0.965 -8.106 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -2.265 0.529 -8.291 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -1.805 1.925 -7.288 1.00 0.00 H new ATOM 0 HG21 VAL A 137 0.617 0.591 -5.945 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -0.616 1.525 -5.066 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -0.240 -0.141 -4.568 1.00 0.00 H new ATOM 2089 N ILE A 138 -3.285 1.550 -3.886 1.00 0.00 N ATOM 2090 CA ILE A 138 -3.809 2.811 -3.334 1.00 0.00 C ATOM 2091 C ILE A 138 -2.790 3.482 -2.406 1.00 0.00 C ATOM 2092 O ILE A 138 -2.311 2.868 -1.451 1.00 0.00 O ATOM 2093 CB ILE A 138 -5.134 2.553 -2.553 1.00 0.00 C ATOM 2094 CG1 ILE A 138 -6.166 1.815 -3.457 1.00 0.00 C ATOM 2095 CG2 ILE A 138 -5.740 3.896 -2.087 1.00 0.00 C ATOM 2096 CD1 ILE A 138 -5.922 0.296 -3.422 1.00 0.00 C ATOM 0 H ILE A 138 -2.944 0.893 -3.184 1.00 0.00 H new ATOM 0 HA ILE A 138 -4.005 3.480 -4.172 1.00 0.00 H new ATOM 0 HB ILE A 138 -4.906 1.930 -1.688 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -7.178 2.035 -3.118 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -6.087 2.179 -4.481 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -6.665 3.708 -1.542 1.00 0.00 H new ATOM 0 HG22 ILE A 138 -5.032 4.408 -1.435 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -5.951 4.521 -2.955 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -6.652 -0.204 -4.059 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -4.917 0.081 -3.783 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -6.025 -0.066 -2.399 1.00 0.00 H new ATOM 2108 N VAL A 139 -2.543 4.772 -2.646 1.00 0.00 N ATOM 2109 CA VAL A 139 -1.670 5.568 -1.774 1.00 0.00 C ATOM 2110 C VAL A 139 -2.499 6.710 -1.180 1.00 0.00 C ATOM 2111 O VAL A 139 -3.095 7.497 -1.921 1.00 0.00 O ATOM 2112 CB VAL A 139 -0.461 6.126 -2.574 1.00 0.00 C ATOM 2113 CG1 VAL A 139 0.456 6.949 -1.654 1.00 0.00 C ATOM 2114 CG2 VAL A 139 0.343 4.964 -3.173 1.00 0.00 C ATOM 0 H VAL A 139 -2.933 5.288 -3.434 1.00 0.00 H new ATOM 0 HA VAL A 139 -1.273 4.943 -0.974 1.00 0.00 H new ATOM 0 HB VAL A 139 -0.838 6.767 -3.371 1.00 0.00 H new ATOM 0 HG11 VAL A 139 1.298 7.333 -2.229 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -0.105 7.783 -1.232 1.00 0.00 H new ATOM 0 HG13 VAL A 139 0.826 6.315 -0.848 1.00 0.00 H new ATOM 0 HG21 VAL A 139 1.190 5.359 -3.734 1.00 0.00 H new ATOM 0 HG22 VAL A 139 0.706 4.321 -2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 139 -0.296 4.386 -3.840 1.00 0.00 H new ATOM 2124 N ALA A 140 -2.575 6.760 0.156 1.00 0.00 N ATOM 2125 CA ALA A 140 -3.386 7.770 0.843 1.00 0.00 C ATOM 2126 C ALA A 140 -2.621 8.425 1.980 1.00 0.00 C ATOM 2127 O ALA A 140 -1.846 7.775 2.678 1.00 0.00 O ATOM 2128 CB ALA A 140 -4.668 7.133 1.388 1.00 0.00 C ATOM 0 H ALA A 140 -2.087 6.116 0.779 1.00 0.00 H new ATOM 0 HA ALA A 140 -3.638 8.541 0.115 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -5.263 7.891 1.896 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -5.244 6.712 0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -4.410 6.342 2.092 1.00 0.00 H new ATOM 2134 N LYS A 141 -2.865 9.721 2.160 1.00 0.00 N ATOM 2135 CA LYS A 141 -2.229 10.501 3.210 1.00 0.00 C ATOM 2136 C LYS A 141 -3.241 10.800 4.313 1.00 0.00 C ATOM 2137 O LYS A 141 -4.384 11.159 4.019 1.00 0.00 O ATOM 2138 CB LYS A 141 -1.726 11.822 2.624 1.00 0.00 C ATOM 2139 CG LYS A 141 -0.595 12.388 3.497 1.00 0.00 C ATOM 2140 CD LYS A 141 -0.181 13.773 2.988 1.00 0.00 C ATOM 2141 CE LYS A 141 -1.236 14.811 3.393 1.00 0.00 C ATOM 2142 NZ LYS A 141 -0.781 16.169 2.979 1.00 0.00 N ATOM 0 H LYS A 141 -3.510 10.257 1.580 1.00 0.00 H new ATOM 0 HA LYS A 141 -1.394 9.935 3.624 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -1.367 11.665 1.607 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -2.545 12.539 2.566 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -0.925 12.456 4.534 1.00 0.00 H new ATOM 0 HG3 LYS A 141 0.261 11.714 3.479 1.00 0.00 H new ATOM 0 HD2 LYS A 141 0.790 14.047 3.401 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -0.073 13.755 1.904 1.00 0.00 H new ATOM 0 HE2 LYS A 141 -2.191 14.577 2.923 1.00 0.00 H new ATOM 0 HE3 LYS A 141 -1.395 14.782 4.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 -1.496 16.873 3.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 0.121 16.391 3.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 -0.650 16.192 1.947 1.00 0.00 H new ATOM 2156 N ALA A 142 -2.818 10.670 5.579 1.00 0.00 N ATOM 2157 CA ALA A 142 -3.713 10.958 6.705 1.00 0.00 C ATOM 2158 C ALA A 142 -3.992 12.456 6.777 1.00 0.00 C ATOM 2159 O ALA A 142 -3.087 13.249 7.062 1.00 0.00 O ATOM 2160 CB ALA A 142 -3.084 10.491 8.016 1.00 0.00 C ATOM 0 H ALA A 142 -1.879 10.373 5.844 1.00 0.00 H new ATOM 0 HA ALA A 142 -4.650 10.422 6.551 1.00 0.00 H new ATOM 0 HB1 ALA A 142 -3.760 10.711 8.843 1.00 0.00 H new ATOM 0 HB2 ALA A 142 -2.904 9.417 7.971 1.00 0.00 H new ATOM 0 HB3 ALA A 142 -2.139 11.011 8.172 1.00 0.00 H new