USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 990 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 111 ASN : amide:sc= 0.607 K(o=1.9,f=-5.1) USER MOD Set 1.2: A 114 LYS NZ :NH3+ 177:sc= 1.28 (180deg=0) USER MOD Set 2.1: A 51 GLN : amide:sc= -1.34 K(o=-3.5,f=-2.5) USER MOD Set 2.2: A 101 MET CE :methyl 154:sc= -2.14 (180deg=-3.56!) USER MOD Set 3.1: A 40 ASN : amide:sc= -2.63! X(o=-2.6!,f=-2.8) USER MOD Set 3.2: A 113 MET CE :methyl -154:sc= 0 (180deg=-0.904) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.0836 USER MOD Single : A 20 GLN : amide:sc= -1.05! K(o=-1.1!,f=-0.036) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -155:sc= -0.0789 USER MOD Single : A 42 THR OG1 : rot 75:sc= 0.773 USER MOD Single : A 45 LYS NZ :NH3+ 171:sc=-0.00403 (180deg=-0.0924) USER MOD Single : A 47 CYS SG : rot 74:sc= 0.789 USER MOD Single : A 52 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.0027) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0587 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0.00713 K(o=0.0071,f=-4.2!) USER MOD Single : A 60 GLN : amide:sc= -0.205 X(o=-0.21,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.388 K(o=-0.39,f=-4.3!) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 74 SER OG : rot -104:sc= 0.0119 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.592 K(o=-0.59,f=-2.3) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 0.027 X(o=0.027,f=0) USER MOD Single : A 86 GLN : amide:sc=-0.00708 K(o=-0.0071,f=-0.9) USER MOD Single : A 105 GLN : amide:sc= 0.0362 K(o=0.036,f=-4.1!) USER MOD Single : A 106 GLN : amide:sc= -1.05 K(o=-1,f=-7.7!) USER MOD Single : A 108 GLN : amide:sc= -3.25! K(o=-3.2!,f=-0.16) USER MOD Single : A 117 SER OG : rot 113:sc= 1.32 USER MOD Single : A 118 TYR OH : rot 12:sc= 0.155 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot -55:sc= 1.17 USER MOD Single : A 127 TYR OH : rot 180:sc= -0.22 USER MOD Single : A 130 CYS SG : rot 57:sc= -0.399 USER MOD ----------------------------------------------------------------- ATOM 106 N VAL A 8 -14.018 -2.631 -5.227 1.00 0.00 N ATOM 107 CA VAL A 8 -13.243 -1.475 -4.755 1.00 0.00 C ATOM 108 C VAL A 8 -13.452 -1.187 -3.262 1.00 0.00 C ATOM 109 O VAL A 8 -12.581 -0.617 -2.609 1.00 0.00 O ATOM 110 CB VAL A 8 -13.597 -0.204 -5.567 1.00 0.00 C ATOM 111 CG1 VAL A 8 -13.238 -0.385 -7.041 1.00 0.00 C ATOM 112 CG2 VAL A 8 -15.078 0.146 -5.407 1.00 0.00 C ATOM 0 HA VAL A 8 -12.195 -1.735 -4.905 1.00 0.00 H new ATOM 0 HB VAL A 8 -13.008 0.625 -5.175 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.495 0.520 -7.592 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.169 -0.575 -7.134 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -13.794 -1.229 -7.450 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.305 1.042 -5.985 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.689 -0.682 -5.766 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -15.297 0.328 -4.355 1.00 0.00 H new ATOM 122 N ALA A 9 -14.597 -1.598 -2.721 1.00 0.00 N ATOM 123 CA ALA A 9 -14.915 -1.362 -1.310 1.00 0.00 C ATOM 124 C ALA A 9 -13.885 -2.022 -0.382 1.00 0.00 C ATOM 125 O ALA A 9 -13.839 -1.736 0.815 1.00 0.00 O ATOM 126 CB ALA A 9 -16.319 -1.868 -0.997 1.00 0.00 C ATOM 0 H ALA A 9 -15.322 -2.097 -3.237 1.00 0.00 H new ATOM 0 HA ALA A 9 -14.877 -0.287 -1.132 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -16.545 -1.688 0.054 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -17.043 -1.341 -1.619 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.374 -2.937 -1.202 1.00 0.00 H new ATOM 132 N SER A 10 -13.059 -2.898 -0.949 1.00 0.00 N ATOM 133 CA SER A 10 -12.028 -3.596 -0.190 1.00 0.00 C ATOM 134 C SER A 10 -10.901 -2.650 0.235 1.00 0.00 C ATOM 135 O SER A 10 -10.087 -2.997 1.094 1.00 0.00 O ATOM 136 CB SER A 10 -11.466 -4.754 -1.017 1.00 0.00 C ATOM 137 OG SER A 10 -12.485 -5.679 -1.355 1.00 0.00 O ATOM 0 H SER A 10 -13.086 -3.142 -1.939 1.00 0.00 H new ATOM 0 HA SER A 10 -12.487 -3.989 0.717 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.006 -4.366 -1.926 1.00 0.00 H new ATOM 0 HB3 SER A 10 -10.682 -5.261 -0.454 1.00 0.00 H new ATOM 0 HG SER A 10 -12.102 -6.409 -1.885 1.00 0.00 H new ATOM 143 N TRP A 11 -10.849 -1.458 -0.362 1.00 0.00 N ATOM 144 CA TRP A 11 -9.836 -0.470 0.005 1.00 0.00 C ATOM 145 C TRP A 11 -9.981 -0.093 1.480 1.00 0.00 C ATOM 146 O TRP A 11 -9.000 -0.044 2.221 1.00 0.00 O ATOM 147 CB TRP A 11 -9.948 0.793 -0.860 1.00 0.00 C ATOM 148 CG TRP A 11 -9.790 0.563 -2.339 1.00 0.00 C ATOM 149 CD1 TRP A 11 -9.139 -0.467 -2.967 1.00 0.00 C ATOM 150 CD2 TRP A 11 -10.281 1.415 -3.375 1.00 0.00 C ATOM 151 NE1 TRP A 11 -9.214 -0.305 -4.333 1.00 0.00 N ATOM 152 CE2 TRP A 11 -9.911 0.845 -4.605 1.00 0.00 C ATOM 153 CE3 TRP A 11 -11.006 2.604 -3.373 1.00 0.00 C ATOM 154 CZ2 TRP A 11 -10.246 1.432 -5.822 1.00 0.00 C ATOM 155 CZ3 TRP A 11 -11.335 3.189 -4.576 1.00 0.00 C ATOM 156 CH2 TRP A 11 -10.957 2.602 -5.790 1.00 0.00 C ATOM 0 H TRP A 11 -11.491 -1.156 -1.095 1.00 0.00 H new ATOM 0 HA TRP A 11 -8.857 -0.918 -0.165 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -10.919 1.254 -0.680 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -9.191 1.507 -0.535 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -8.641 -1.284 -2.466 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -8.816 -0.937 -5.028 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -11.306 3.061 -2.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -9.955 0.980 -6.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -11.893 4.114 -4.583 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -11.231 3.081 -6.718 1.00 0.00 H new ATOM 167 N ALA A 12 -11.226 0.134 1.905 1.00 0.00 N ATOM 168 CA ALA A 12 -11.516 0.524 3.285 1.00 0.00 C ATOM 169 C ALA A 12 -11.330 -0.648 4.247 1.00 0.00 C ATOM 170 O ALA A 12 -11.485 -0.499 5.459 1.00 0.00 O ATOM 171 CB ALA A 12 -12.929 1.081 3.396 1.00 0.00 C ATOM 0 H ALA A 12 -12.051 0.054 1.311 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.807 1.303 3.566 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -13.128 1.366 4.429 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -13.027 1.956 2.753 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.645 0.320 3.085 1.00 0.00 H new ATOM 177 N LEU A 13 -11.006 -1.818 3.705 1.00 0.00 N ATOM 178 CA LEU A 13 -10.762 -2.999 4.522 1.00 0.00 C ATOM 179 C LEU A 13 -9.274 -3.119 4.848 1.00 0.00 C ATOM 180 O LEU A 13 -8.900 -3.478 5.968 1.00 0.00 O ATOM 181 CB LEU A 13 -11.262 -4.262 3.804 1.00 0.00 C ATOM 182 CG LEU A 13 -12.754 -4.253 3.430 1.00 0.00 C ATOM 183 CD1 LEU A 13 -13.139 -5.548 2.717 1.00 0.00 C ATOM 184 CD2 LEU A 13 -13.624 -4.033 4.669 1.00 0.00 C ATOM 0 H LEU A 13 -10.907 -1.972 2.702 1.00 0.00 H new ATOM 0 HA LEU A 13 -11.314 -2.896 5.457 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.676 -4.400 2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.069 -5.124 4.442 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.928 -3.423 2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -14.198 -5.521 2.461 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.548 -5.652 1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.946 -6.396 3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -14.675 -4.030 4.380 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -13.447 -4.835 5.385 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -13.371 -3.076 5.126 1.00 0.00 H new ATOM 196 N SER A 14 -8.425 -2.798 3.870 1.00 0.00 N ATOM 197 CA SER A 14 -6.976 -2.886 4.046 1.00 0.00 C ATOM 198 C SER A 14 -6.251 -1.859 3.172 1.00 0.00 C ATOM 199 O SER A 14 -6.520 -1.747 1.972 1.00 0.00 O ATOM 200 CB SER A 14 -6.487 -4.298 3.697 1.00 0.00 C ATOM 201 OG SER A 14 -7.243 -5.289 4.375 1.00 0.00 O ATOM 0 H SER A 14 -8.717 -2.475 2.948 1.00 0.00 H new ATOM 0 HA SER A 14 -6.750 -2.671 5.090 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.561 -4.455 2.621 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.434 -4.396 3.962 1.00 0.00 H new ATOM 0 HG SER A 14 -6.910 -6.178 4.132 1.00 0.00 H new ATOM 207 N PHE A 15 -5.320 -1.126 3.781 1.00 0.00 N ATOM 208 CA PHE A 15 -4.507 -0.146 3.065 1.00 0.00 C ATOM 209 C PHE A 15 -3.573 -0.867 2.100 1.00 0.00 C ATOM 210 O PHE A 15 -3.380 -0.433 0.970 1.00 0.00 O ATOM 211 CB PHE A 15 -3.704 0.713 4.057 1.00 0.00 C ATOM 212 CG PHE A 15 -2.769 1.710 3.404 1.00 0.00 C ATOM 213 CD1 PHE A 15 -3.215 2.541 2.382 1.00 0.00 C ATOM 214 CD2 PHE A 15 -1.446 1.817 3.812 1.00 0.00 C ATOM 215 CE1 PHE A 15 -2.365 3.452 1.786 1.00 0.00 C ATOM 216 CE2 PHE A 15 -0.593 2.728 3.218 1.00 0.00 C ATOM 217 CZ PHE A 15 -1.053 3.546 2.205 1.00 0.00 C ATOM 0 H PHE A 15 -5.110 -1.194 4.777 1.00 0.00 H new ATOM 0 HA PHE A 15 -5.161 0.516 2.497 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -4.400 1.252 4.699 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -3.121 0.054 4.701 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.240 2.473 2.050 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.079 1.180 4.603 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.726 4.090 0.993 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.433 2.800 3.546 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.387 4.259 1.741 1.00 0.00 H new ATOM 227 N GLU A 16 -3.012 -1.978 2.570 1.00 0.00 N ATOM 228 CA GLU A 16 -2.171 -2.854 1.758 1.00 0.00 C ATOM 229 C GLU A 16 -2.844 -3.156 0.421 1.00 0.00 C ATOM 230 O GLU A 16 -2.231 -3.013 -0.630 1.00 0.00 O ATOM 231 CB GLU A 16 -1.885 -4.154 2.539 1.00 0.00 C ATOM 232 CG GLU A 16 -0.898 -5.118 1.873 1.00 0.00 C ATOM 233 CD GLU A 16 -1.495 -5.924 0.723 1.00 0.00 C ATOM 234 OE1 GLU A 16 -2.606 -6.479 0.889 1.00 0.00 O ATOM 235 OE2 GLU A 16 -0.842 -6.038 -0.337 1.00 0.00 O ATOM 0 H GLU A 16 -3.129 -2.298 3.531 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.226 -2.353 1.546 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.499 -3.889 3.523 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.828 -4.678 2.697 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.046 -4.549 1.500 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.516 -5.807 2.626 1.00 0.00 H new ATOM 242 N ARG A 17 -4.115 -3.551 0.472 1.00 0.00 N ATOM 243 CA ARG A 17 -4.854 -3.909 -0.739 1.00 0.00 C ATOM 244 C ARG A 17 -5.045 -2.691 -1.643 1.00 0.00 C ATOM 245 O ARG A 17 -4.882 -2.788 -2.855 1.00 0.00 O ATOM 246 CB ARG A 17 -6.207 -4.543 -0.389 1.00 0.00 C ATOM 247 CG ARG A 17 -7.034 -4.935 -1.614 1.00 0.00 C ATOM 248 CD ARG A 17 -8.192 -5.857 -1.253 1.00 0.00 C ATOM 249 NE ARG A 17 -7.727 -7.168 -0.793 1.00 0.00 N ATOM 250 CZ ARG A 17 -8.509 -8.242 -0.657 1.00 0.00 C ATOM 251 NH1 ARG A 17 -9.811 -8.169 -0.909 1.00 0.00 N ATOM 252 NH2 ARG A 17 -7.987 -9.395 -0.267 1.00 0.00 N ATOM 0 H ARG A 17 -4.653 -3.631 1.335 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.265 -4.647 -1.284 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.036 -5.429 0.223 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.781 -3.843 0.218 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.423 -4.035 -2.091 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.391 -5.430 -2.342 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.796 -5.392 -0.473 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.837 -5.986 -2.122 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.739 -7.267 -0.561 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.223 -7.286 -1.210 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.398 -8.996 -0.802 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.988 -9.462 -0.071 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.584 -10.216 -0.163 1.00 0.00 H new ATOM 266 N LEU A 18 -5.388 -1.551 -1.044 1.00 0.00 N ATOM 267 CA LEU A 18 -5.499 -0.289 -1.785 1.00 0.00 C ATOM 268 C LEU A 18 -4.163 0.065 -2.434 1.00 0.00 C ATOM 269 O LEU A 18 -4.103 0.568 -3.557 1.00 0.00 O ATOM 270 CB LEU A 18 -5.913 0.846 -0.833 1.00 0.00 C ATOM 271 CG LEU A 18 -5.792 2.271 -1.413 1.00 0.00 C ATOM 272 CD1 LEU A 18 -6.845 2.527 -2.487 1.00 0.00 C ATOM 273 CD2 LEU A 18 -5.874 3.318 -0.305 1.00 0.00 C ATOM 0 H LEU A 18 -5.594 -1.473 -0.048 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.255 -0.411 -2.560 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.946 0.683 -0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.301 0.785 0.067 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.814 2.354 -1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.731 3.540 -2.874 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.718 1.812 -3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.840 2.413 -2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.786 4.314 -0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.831 3.229 0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.063 3.159 0.406 1.00 0.00 H new ATOM 285 N LEU A 19 -3.101 -0.213 -1.698 1.00 0.00 N ATOM 286 CA LEU A 19 -1.751 0.165 -2.082 1.00 0.00 C ATOM 287 C LEU A 19 -1.151 -0.871 -3.038 1.00 0.00 C ATOM 288 O LEU A 19 -0.165 -0.606 -3.730 1.00 0.00 O ATOM 289 CB LEU A 19 -0.901 0.306 -0.809 1.00 0.00 C ATOM 290 CG LEU A 19 0.435 1.031 -0.979 1.00 0.00 C ATOM 291 CD1 LEU A 19 0.217 2.419 -1.580 1.00 0.00 C ATOM 292 CD2 LEU A 19 1.173 1.129 0.354 1.00 0.00 C ATOM 0 H LEU A 19 -3.151 -0.712 -0.810 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.769 1.118 -2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.488 0.836 -0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.705 -0.691 -0.413 1.00 0.00 H new ATOM 0 HG LEU A 19 1.054 0.452 -1.665 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.178 2.921 -1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.260 2.322 -2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.422 3.005 -0.920 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.120 1.648 0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.562 1.681 1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.364 0.127 0.739 1.00 0.00 H new ATOM 304 N GLN A 20 -1.759 -2.053 -3.065 1.00 0.00 N ATOM 305 CA GLN A 20 -1.343 -3.127 -3.961 1.00 0.00 C ATOM 306 C GLN A 20 -2.055 -2.978 -5.303 1.00 0.00 C ATOM 307 O GLN A 20 -1.437 -3.082 -6.366 1.00 0.00 O ATOM 308 CB GLN A 20 -1.674 -4.498 -3.345 1.00 0.00 C ATOM 309 CG GLN A 20 -1.034 -5.680 -4.072 1.00 0.00 C ATOM 310 CD GLN A 20 0.472 -5.764 -3.859 1.00 0.00 C ATOM 311 OE1 GLN A 20 1.213 -6.187 -4.748 1.00 0.00 O ATOM 312 NE2 GLN A 20 0.930 -5.407 -2.665 1.00 0.00 N ATOM 0 H GLN A 20 -2.551 -2.293 -2.469 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.265 -3.063 -4.112 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.348 -4.505 -2.305 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.756 -4.631 -3.341 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.496 -6.605 -3.728 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.241 -5.598 -5.139 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.285 -5.061 -1.954 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.926 -5.479 -2.459 1.00 0.00 H new ATOM 321 N ASP A 21 -3.360 -2.720 -5.229 1.00 0.00 N ATOM 322 CA ASP A 21 -4.208 -2.567 -6.409 1.00 0.00 C ATOM 323 C ASP A 21 -3.843 -1.295 -7.179 1.00 0.00 C ATOM 324 O ASP A 21 -3.983 -0.187 -6.657 1.00 0.00 O ATOM 325 CB ASP A 21 -5.690 -2.537 -5.992 1.00 0.00 C ATOM 326 CG ASP A 21 -6.633 -2.160 -7.130 1.00 0.00 C ATOM 327 OD1 ASP A 21 -6.448 -2.661 -8.262 1.00 0.00 O ATOM 328 OD2 ASP A 21 -7.571 -1.367 -6.889 1.00 0.00 O ATOM 0 H ASP A 21 -3.860 -2.611 -4.346 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.044 -3.420 -7.067 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.971 -3.517 -5.607 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.816 -1.826 -5.176 1.00 0.00 H new ATOM 333 N PRO A 22 -3.367 -1.442 -8.432 1.00 0.00 N ATOM 334 CA PRO A 22 -2.954 -0.303 -9.263 1.00 0.00 C ATOM 335 C PRO A 22 -4.092 0.690 -9.501 1.00 0.00 C ATOM 336 O PRO A 22 -3.867 1.902 -9.570 1.00 0.00 O ATOM 337 CB PRO A 22 -2.516 -0.954 -10.588 1.00 0.00 C ATOM 338 CG PRO A 22 -2.232 -2.378 -10.242 1.00 0.00 C ATOM 339 CD PRO A 22 -3.188 -2.726 -9.136 1.00 0.00 C ATOM 0 HA PRO A 22 -2.167 0.280 -8.784 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.299 -0.880 -11.342 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -1.633 -0.463 -10.996 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.379 -3.027 -11.105 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.198 -2.504 -9.920 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -4.132 -3.108 -9.525 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -2.781 -3.493 -8.478 1.00 0.00 H new ATOM 347 N LEU A 23 -5.311 0.168 -9.611 1.00 0.00 N ATOM 348 CA LEU A 23 -6.489 0.993 -9.863 1.00 0.00 C ATOM 349 C LEU A 23 -6.744 1.900 -8.660 1.00 0.00 C ATOM 350 O LEU A 23 -6.876 3.125 -8.797 1.00 0.00 O ATOM 351 CB LEU A 23 -7.700 0.084 -10.162 1.00 0.00 C ATOM 352 CG LEU A 23 -9.004 0.787 -10.606 1.00 0.00 C ATOM 353 CD1 LEU A 23 -9.882 -0.173 -11.408 1.00 0.00 C ATOM 354 CD2 LEU A 23 -9.784 1.318 -9.402 1.00 0.00 C ATOM 0 H LEU A 23 -5.509 -0.829 -9.529 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.325 1.629 -10.733 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.412 -0.621 -10.941 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.916 -0.500 -9.267 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.727 1.632 -11.237 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.796 0.338 -11.713 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.341 -0.508 -12.293 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.137 -1.035 -10.791 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.695 1.807 -9.746 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.043 0.490 -8.742 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.170 2.036 -8.859 1.00 0.00 H new ATOM 366 N GLY A 24 -6.792 1.287 -7.481 1.00 0.00 N ATOM 367 CA GLY A 24 -6.968 2.028 -6.249 1.00 0.00 C ATOM 368 C GLY A 24 -5.853 3.023 -6.020 1.00 0.00 C ATOM 369 O GLY A 24 -6.106 4.201 -5.762 1.00 0.00 O ATOM 0 H GLY A 24 -6.711 0.278 -7.359 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.923 2.554 -6.276 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.010 1.332 -5.411 1.00 0.00 H new ATOM 373 N LEU A 25 -4.617 2.546 -6.131 1.00 0.00 N ATOM 374 CA LEU A 25 -3.437 3.387 -5.963 1.00 0.00 C ATOM 375 C LEU A 25 -3.472 4.559 -6.953 1.00 0.00 C ATOM 376 O LEU A 25 -3.000 5.648 -6.643 1.00 0.00 O ATOM 377 CB LEU A 25 -2.154 2.552 -6.155 1.00 0.00 C ATOM 378 CG LEU A 25 -0.941 2.960 -5.290 1.00 0.00 C ATOM 379 CD1 LEU A 25 0.230 2.014 -5.532 1.00 0.00 C ATOM 380 CD2 LEU A 25 -0.517 4.406 -5.549 1.00 0.00 C ATOM 0 H LEU A 25 -4.406 1.570 -6.339 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.437 3.792 -4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.389 1.509 -5.945 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.862 2.608 -7.204 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.247 2.888 -4.246 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.076 2.316 -4.914 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.064 0.997 -5.272 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.517 2.051 -6.583 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.339 4.652 -4.921 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.243 4.523 -6.598 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.344 5.075 -5.314 1.00 0.00 H new ATOM 392 N ALA A 26 -4.046 4.334 -8.135 1.00 0.00 N ATOM 393 CA ALA A 26 -4.146 5.381 -9.156 1.00 0.00 C ATOM 394 C ALA A 26 -4.977 6.558 -8.647 1.00 0.00 C ATOM 395 O ALA A 26 -4.583 7.721 -8.785 1.00 0.00 O ATOM 396 CB ALA A 26 -4.740 4.823 -10.444 1.00 0.00 C ATOM 0 H ALA A 26 -4.449 3.438 -8.410 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.140 5.742 -9.371 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.805 5.617 -11.188 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.103 4.023 -10.822 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.737 4.430 -10.244 1.00 0.00 H new ATOM 402 N TYR A 27 -6.126 6.253 -8.048 1.00 0.00 N ATOM 403 CA TYR A 27 -6.979 7.290 -7.466 1.00 0.00 C ATOM 404 C TYR A 27 -6.349 7.841 -6.185 1.00 0.00 C ATOM 405 O TYR A 27 -6.414 9.045 -5.910 1.00 0.00 O ATOM 406 CB TYR A 27 -8.383 6.746 -7.176 1.00 0.00 C ATOM 407 CG TYR A 27 -9.173 6.385 -8.422 1.00 0.00 C ATOM 408 CD1 TYR A 27 -9.538 7.363 -9.344 1.00 0.00 C ATOM 409 CD2 TYR A 27 -9.558 5.072 -8.676 1.00 0.00 C ATOM 410 CE1 TYR A 27 -10.261 7.043 -10.478 1.00 0.00 C ATOM 411 CE2 TYR A 27 -10.283 4.747 -9.807 1.00 0.00 C ATOM 412 CZ TYR A 27 -10.631 5.735 -10.703 1.00 0.00 C ATOM 413 OH TYR A 27 -11.355 5.412 -11.831 1.00 0.00 O ATOM 0 H TYR A 27 -6.487 5.304 -7.952 1.00 0.00 H new ATOM 0 HA TYR A 27 -7.070 8.100 -8.190 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.296 5.862 -6.544 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.940 7.491 -6.608 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -9.251 8.390 -9.170 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.286 4.294 -7.978 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.534 7.814 -11.183 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.576 3.723 -9.988 1.00 0.00 H new ATOM 0 HH TYR A 27 -11.534 4.449 -11.840 1.00 0.00 H new ATOM 423 N PHE A 28 -5.729 6.953 -5.417 1.00 0.00 N ATOM 424 CA PHE A 28 -5.059 7.328 -4.176 1.00 0.00 C ATOM 425 C PHE A 28 -3.971 8.365 -4.452 1.00 0.00 C ATOM 426 O PHE A 28 -3.887 9.394 -3.776 1.00 0.00 O ATOM 427 CB PHE A 28 -4.458 6.082 -3.509 1.00 0.00 C ATOM 428 CG PHE A 28 -3.734 6.361 -2.215 1.00 0.00 C ATOM 429 CD1 PHE A 28 -4.441 6.559 -1.039 1.00 0.00 C ATOM 430 CD2 PHE A 28 -2.347 6.415 -2.172 1.00 0.00 C ATOM 431 CE1 PHE A 28 -3.783 6.807 0.150 1.00 0.00 C ATOM 432 CE2 PHE A 28 -1.685 6.662 -0.987 1.00 0.00 C ATOM 433 CZ PHE A 28 -2.404 6.859 0.177 1.00 0.00 C ATOM 0 H PHE A 28 -5.676 5.958 -5.635 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.790 7.770 -3.499 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.257 5.365 -3.318 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.765 5.610 -4.205 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.520 6.519 -1.053 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.779 6.262 -3.078 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.347 6.960 1.058 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.606 6.701 -0.969 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.888 7.053 1.106 1.00 0.00 H new ATOM 443 N THR A 29 -3.153 8.097 -5.466 1.00 0.00 N ATOM 444 CA THR A 29 -2.063 8.987 -5.824 1.00 0.00 C ATOM 445 C THR A 29 -2.605 10.240 -6.506 1.00 0.00 C ATOM 446 O THR A 29 -1.952 11.276 -6.501 1.00 0.00 O ATOM 447 CB THR A 29 -1.010 8.299 -6.735 1.00 0.00 C ATOM 448 OG1 THR A 29 0.159 9.125 -6.843 1.00 0.00 O ATOM 449 CG2 THR A 29 -1.561 8.025 -8.133 1.00 0.00 C ATOM 0 H THR A 29 -3.228 7.267 -6.054 1.00 0.00 H new ATOM 0 HA THR A 29 -1.559 9.263 -4.898 1.00 0.00 H new ATOM 0 HB THR A 29 -0.755 7.344 -6.275 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.819 8.684 -7.418 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.793 7.543 -8.739 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.429 7.370 -8.060 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.854 8.966 -8.599 1.00 0.00 H new ATOM 457 N GLU A 30 -3.806 10.142 -7.082 1.00 0.00 N ATOM 458 CA GLU A 30 -4.457 11.289 -7.711 1.00 0.00 C ATOM 459 C GLU A 30 -4.609 12.425 -6.696 1.00 0.00 C ATOM 460 O GLU A 30 -4.168 13.553 -6.935 1.00 0.00 O ATOM 461 CB GLU A 30 -5.828 10.880 -8.272 1.00 0.00 C ATOM 462 CG GLU A 30 -6.563 11.991 -9.015 1.00 0.00 C ATOM 463 CD GLU A 30 -5.783 12.525 -10.207 1.00 0.00 C ATOM 464 OE1 GLU A 30 -5.524 11.750 -11.151 1.00 0.00 O ATOM 465 OE2 GLU A 30 -5.445 13.729 -10.214 1.00 0.00 O ATOM 0 H GLU A 30 -4.346 9.278 -7.125 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.838 11.639 -8.537 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.693 10.036 -8.948 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.454 10.533 -7.450 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.527 11.616 -9.357 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.767 12.810 -8.325 1.00 0.00 H new ATOM 472 N PHE A 31 -5.209 12.113 -5.550 1.00 0.00 N ATOM 473 CA PHE A 31 -5.343 13.090 -4.467 1.00 0.00 C ATOM 474 C PHE A 31 -3.978 13.415 -3.865 1.00 0.00 C ATOM 475 O PHE A 31 -3.714 14.546 -3.458 1.00 0.00 O ATOM 476 CB PHE A 31 -6.289 12.566 -3.377 1.00 0.00 C ATOM 477 CG PHE A 31 -7.723 12.456 -3.827 1.00 0.00 C ATOM 478 CD1 PHE A 31 -8.542 13.576 -3.850 1.00 0.00 C ATOM 479 CD2 PHE A 31 -8.250 11.237 -4.229 1.00 0.00 C ATOM 480 CE1 PHE A 31 -9.856 13.482 -4.264 1.00 0.00 C ATOM 481 CE2 PHE A 31 -9.564 11.139 -4.645 1.00 0.00 C ATOM 482 CZ PHE A 31 -10.367 12.264 -4.662 1.00 0.00 C ATOM 0 H PHE A 31 -5.609 11.197 -5.346 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.767 14.003 -4.886 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -5.944 11.586 -3.048 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.237 13.229 -2.513 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.147 14.532 -3.540 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -7.626 10.355 -4.217 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -10.483 14.361 -4.276 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.963 10.185 -4.956 1.00 0.00 H new ATOM 0 HZ PHE A 31 -11.394 12.189 -4.987 1.00 0.00 H new ATOM 492 N LEU A 32 -3.111 12.412 -3.832 1.00 0.00 N ATOM 493 CA LEU A 32 -1.763 12.554 -3.285 1.00 0.00 C ATOM 494 C LEU A 32 -0.921 13.490 -4.169 1.00 0.00 C ATOM 495 O LEU A 32 0.040 14.111 -3.709 1.00 0.00 O ATOM 496 CB LEU A 32 -1.126 11.159 -3.184 1.00 0.00 C ATOM 497 CG LEU A 32 0.160 11.046 -2.352 1.00 0.00 C ATOM 498 CD1 LEU A 32 -0.074 11.497 -0.914 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.681 9.610 -2.384 1.00 0.00 C ATOM 0 H LEU A 32 -3.319 11.477 -4.183 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.808 13.000 -2.291 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.865 10.477 -2.762 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.910 10.810 -4.194 1.00 0.00 H new ATOM 0 HG LEU A 32 0.910 11.704 -2.791 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.853 11.406 -0.349 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.403 12.536 -0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.840 10.871 -0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.593 9.541 -1.791 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.073 8.940 -1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.895 9.323 -3.414 1.00 0.00 H new ATOM 511 N LYS A 33 -1.306 13.591 -5.442 1.00 0.00 N ATOM 512 CA LYS A 33 -0.652 14.489 -6.398 1.00 0.00 C ATOM 513 C LYS A 33 -1.059 15.942 -6.147 1.00 0.00 C ATOM 514 O LYS A 33 -0.325 16.868 -6.492 1.00 0.00 O ATOM 515 CB LYS A 33 -1.017 14.087 -7.838 1.00 0.00 C ATOM 516 CG LYS A 33 -0.267 12.862 -8.364 1.00 0.00 C ATOM 517 CD LYS A 33 -1.046 12.140 -9.469 1.00 0.00 C ATOM 518 CE LYS A 33 -1.491 13.081 -10.586 1.00 0.00 C ATOM 519 NZ LYS A 33 -0.343 13.679 -11.319 1.00 0.00 N ATOM 0 H LYS A 33 -2.077 13.055 -5.840 1.00 0.00 H new ATOM 0 HA LYS A 33 0.426 14.403 -6.263 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.088 13.890 -7.886 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.818 14.931 -8.499 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.705 13.170 -8.748 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.080 12.171 -7.542 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.424 11.351 -9.891 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.922 11.658 -9.035 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.121 12.534 -11.288 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.103 13.878 -10.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.698 14.309 -12.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.245 14.224 -10.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.228 12.922 -11.747 1.00 0.00 H new ATOM 533 N LYS A 34 -2.225 16.127 -5.533 1.00 0.00 N ATOM 534 CA LYS A 34 -2.765 17.462 -5.266 1.00 0.00 C ATOM 535 C LYS A 34 -1.782 18.295 -4.441 1.00 0.00 C ATOM 536 O LYS A 34 -1.404 19.401 -4.832 1.00 0.00 O ATOM 537 CB LYS A 34 -4.099 17.350 -4.518 1.00 0.00 C ATOM 538 CG LYS A 34 -4.742 18.697 -4.192 1.00 0.00 C ATOM 539 CD LYS A 34 -5.869 18.563 -3.170 1.00 0.00 C ATOM 540 CE LYS A 34 -5.367 17.978 -1.852 1.00 0.00 C ATOM 541 NZ LYS A 34 -6.403 18.023 -0.787 1.00 0.00 N ATOM 0 H LYS A 34 -2.819 15.364 -5.208 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.925 17.960 -6.222 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.793 16.763 -5.120 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.939 16.801 -3.590 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.982 19.377 -3.806 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.134 19.142 -5.107 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.314 19.541 -2.988 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.655 17.926 -3.576 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.055 16.946 -2.010 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.486 18.530 -1.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.018 17.616 0.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.683 19.010 -0.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.234 17.475 -1.088 1.00 0.00 H new ATOM 555 N GLU A 35 -1.375 17.754 -3.297 1.00 0.00 N ATOM 556 CA GLU A 35 -0.435 18.439 -2.410 1.00 0.00 C ATOM 557 C GLU A 35 1.005 18.138 -2.820 1.00 0.00 C ATOM 558 O GLU A 35 1.948 18.709 -2.268 1.00 0.00 O ATOM 559 CB GLU A 35 -0.670 18.016 -0.953 1.00 0.00 C ATOM 560 CG GLU A 35 -0.591 16.509 -0.727 1.00 0.00 C ATOM 561 CD GLU A 35 -0.724 16.127 0.740 1.00 0.00 C ATOM 562 OE1 GLU A 35 -1.866 16.104 1.252 1.00 0.00 O ATOM 563 OE2 GLU A 35 0.312 15.860 1.387 1.00 0.00 O ATOM 0 H GLU A 35 -1.681 16.841 -2.960 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.603 19.513 -2.495 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.067 18.508 -0.319 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.651 18.370 -0.636 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.379 16.018 -1.299 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.360 16.138 -1.110 1.00 0.00 H new ATOM 570 N PHE A 36 1.151 17.245 -3.799 1.00 0.00 N ATOM 571 CA PHE A 36 2.453 16.812 -4.302 1.00 0.00 C ATOM 572 C PHE A 36 3.227 16.064 -3.217 1.00 0.00 C ATOM 573 O PHE A 36 4.108 16.620 -2.558 1.00 0.00 O ATOM 574 CB PHE A 36 3.273 17.995 -4.852 1.00 0.00 C ATOM 575 CG PHE A 36 4.576 17.584 -5.496 1.00 0.00 C ATOM 576 CD1 PHE A 36 4.585 16.979 -6.745 1.00 0.00 C ATOM 577 CD2 PHE A 36 5.790 17.801 -4.854 1.00 0.00 C ATOM 578 CE1 PHE A 36 5.774 16.599 -7.339 1.00 0.00 C ATOM 579 CE2 PHE A 36 6.980 17.423 -5.445 1.00 0.00 C ATOM 580 CZ PHE A 36 6.973 16.821 -6.689 1.00 0.00 C ATOM 0 H PHE A 36 0.363 16.799 -4.268 1.00 0.00 H new ATOM 0 HA PHE A 36 2.277 16.128 -5.132 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.671 18.534 -5.583 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.483 18.689 -4.038 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.652 16.803 -7.259 1.00 0.00 H new ATOM 0 HD2 PHE A 36 5.803 18.271 -3.882 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.766 16.129 -8.311 1.00 0.00 H new ATOM 0 HE2 PHE A 36 7.916 17.598 -4.935 1.00 0.00 H new ATOM 0 HZ PHE A 36 7.903 16.525 -7.152 1.00 0.00 H new ATOM 590 N SER A 37 2.846 14.814 -3.002 1.00 0.00 N ATOM 591 CA SER A 37 3.538 13.947 -2.061 1.00 0.00 C ATOM 592 C SER A 37 3.466 12.490 -2.526 1.00 0.00 C ATOM 593 O SER A 37 3.618 11.559 -1.734 1.00 0.00 O ATOM 594 CB SER A 37 2.937 14.114 -0.659 1.00 0.00 C ATOM 595 OG SER A 37 1.523 14.042 -0.696 1.00 0.00 O ATOM 0 H SER A 37 2.054 14.375 -3.471 1.00 0.00 H new ATOM 0 HA SER A 37 4.590 14.231 -2.019 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.326 13.339 0.001 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.244 15.072 -0.241 1.00 0.00 H new ATOM 0 HG SER A 37 1.151 14.521 0.074 1.00 0.00 H new ATOM 601 N ALA A 38 3.301 12.306 -3.837 1.00 0.00 N ATOM 602 CA ALA A 38 3.148 10.976 -4.437 1.00 0.00 C ATOM 603 C ALA A 38 4.452 10.183 -4.375 1.00 0.00 C ATOM 604 O ALA A 38 4.509 9.013 -4.763 1.00 0.00 O ATOM 605 CB ALA A 38 2.670 11.108 -5.880 1.00 0.00 C ATOM 0 H ALA A 38 3.269 13.070 -4.512 1.00 0.00 H new ATOM 0 HA ALA A 38 2.402 10.427 -3.863 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.559 10.116 -6.319 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.710 11.623 -5.899 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.400 11.679 -6.454 1.00 0.00 H new ATOM 611 N GLU A 39 5.492 10.821 -3.863 1.00 0.00 N ATOM 612 CA GLU A 39 6.819 10.226 -3.812 1.00 0.00 C ATOM 613 C GLU A 39 6.871 9.102 -2.778 1.00 0.00 C ATOM 614 O GLU A 39 7.642 8.153 -2.923 1.00 0.00 O ATOM 615 CB GLU A 39 7.879 11.292 -3.486 1.00 0.00 C ATOM 616 CG GLU A 39 7.895 12.485 -4.446 1.00 0.00 C ATOM 617 CD GLU A 39 6.682 13.390 -4.284 1.00 0.00 C ATOM 618 OE1 GLU A 39 6.611 14.112 -3.267 1.00 0.00 O ATOM 619 OE2 GLU A 39 5.785 13.361 -5.156 1.00 0.00 O ATOM 0 H GLU A 39 5.442 11.762 -3.472 1.00 0.00 H new ATOM 0 HA GLU A 39 7.036 9.805 -4.794 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.708 11.658 -2.474 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.863 10.822 -3.493 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.801 13.067 -4.280 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.935 12.119 -5.472 1.00 0.00 H new ATOM 626 N ASN A 40 6.033 9.197 -1.743 1.00 0.00 N ATOM 627 CA ASN A 40 6.060 8.222 -0.649 1.00 0.00 C ATOM 628 C ASN A 40 5.622 6.836 -1.133 1.00 0.00 C ATOM 629 O ASN A 40 6.252 5.829 -0.801 1.00 0.00 O ATOM 630 CB ASN A 40 5.195 8.680 0.544 1.00 0.00 C ATOM 631 CG ASN A 40 3.697 8.522 0.321 1.00 0.00 C ATOM 632 OD1 ASN A 40 3.129 7.464 0.575 1.00 0.00 O ATOM 633 ND2 ASN A 40 3.042 9.580 -0.124 1.00 0.00 N ATOM 0 H ASN A 40 5.333 9.932 -1.639 1.00 0.00 H new ATOM 0 HA ASN A 40 7.092 8.154 -0.304 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.482 8.110 1.428 1.00 0.00 H new ATOM 0 HB3 ASN A 40 5.412 9.727 0.756 1.00 0.00 H new ATOM 0 HD21 ASN A 40 2.033 9.533 -0.266 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.545 10.444 -0.325 1.00 0.00 H new ATOM 640 N VAL A 41 4.558 6.785 -1.938 1.00 0.00 N ATOM 641 CA VAL A 41 4.076 5.515 -2.479 1.00 0.00 C ATOM 642 C VAL A 41 5.056 4.973 -3.511 1.00 0.00 C ATOM 643 O VAL A 41 5.229 3.760 -3.643 1.00 0.00 O ATOM 644 CB VAL A 41 2.662 5.637 -3.110 1.00 0.00 C ATOM 645 CG1 VAL A 41 1.645 6.085 -2.066 1.00 0.00 C ATOM 646 CG2 VAL A 41 2.666 6.585 -4.310 1.00 0.00 C ATOM 0 H VAL A 41 4.019 7.601 -2.227 1.00 0.00 H new ATOM 0 HA VAL A 41 4.002 4.821 -1.641 1.00 0.00 H new ATOM 0 HB VAL A 41 2.371 4.651 -3.472 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.661 6.165 -2.528 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.609 5.355 -1.257 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.938 7.056 -1.666 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.661 6.647 -4.728 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.988 7.576 -3.990 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.352 6.208 -5.069 1.00 0.00 H new ATOM 656 N THR A 42 5.711 5.881 -4.231 1.00 0.00 N ATOM 657 CA THR A 42 6.729 5.498 -5.197 1.00 0.00 C ATOM 658 C THR A 42 7.921 4.879 -4.466 1.00 0.00 C ATOM 659 O THR A 42 8.494 3.889 -4.920 1.00 0.00 O ATOM 660 CB THR A 42 7.199 6.707 -6.040 1.00 0.00 C ATOM 661 OG1 THR A 42 6.062 7.405 -6.576 1.00 0.00 O ATOM 662 CG2 THR A 42 8.101 6.263 -7.190 1.00 0.00 C ATOM 0 H THR A 42 5.553 6.886 -4.161 1.00 0.00 H new ATOM 0 HA THR A 42 6.292 4.768 -5.878 1.00 0.00 H new ATOM 0 HB THR A 42 7.767 7.368 -5.386 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.631 7.923 -5.865 1.00 0.00 H new ATOM 0 HG21 THR A 42 8.415 7.135 -7.764 1.00 0.00 H new ATOM 0 HG22 THR A 42 8.979 5.757 -6.789 1.00 0.00 H new ATOM 0 HG23 THR A 42 7.553 5.580 -7.839 1.00 0.00 H new ATOM 670 N PHE A 43 8.266 5.461 -3.316 1.00 0.00 N ATOM 671 CA PHE A 43 9.321 4.929 -2.456 1.00 0.00 C ATOM 672 C PHE A 43 8.976 3.507 -2.018 1.00 0.00 C ATOM 673 O PHE A 43 9.805 2.599 -2.106 1.00 0.00 O ATOM 674 CB PHE A 43 9.513 5.834 -1.224 1.00 0.00 C ATOM 675 CG PHE A 43 10.416 5.248 -0.164 1.00 0.00 C ATOM 676 CD1 PHE A 43 11.786 5.170 -0.363 1.00 0.00 C ATOM 677 CD2 PHE A 43 9.890 4.777 1.032 1.00 0.00 C ATOM 678 CE1 PHE A 43 12.611 4.633 0.607 1.00 0.00 C ATOM 679 CE2 PHE A 43 10.712 4.240 2.004 1.00 0.00 C ATOM 680 CZ PHE A 43 12.074 4.169 1.791 1.00 0.00 C ATOM 0 H PHE A 43 7.825 6.308 -2.958 1.00 0.00 H new ATOM 0 HA PHE A 43 10.253 4.906 -3.020 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.924 6.790 -1.549 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.538 6.040 -0.782 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.213 5.533 -1.286 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.825 4.831 1.204 1.00 0.00 H new ATOM 0 HE1 PHE A 43 13.676 4.576 0.439 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.290 3.876 2.929 1.00 0.00 H new ATOM 0 HZ PHE A 43 12.719 3.751 2.550 1.00 0.00 H new ATOM 690 N TRP A 44 7.740 3.328 -1.554 1.00 0.00 N ATOM 691 CA TRP A 44 7.261 2.027 -1.093 1.00 0.00 C ATOM 692 C TRP A 44 7.387 0.985 -2.208 1.00 0.00 C ATOM 693 O TRP A 44 8.042 -0.046 -2.038 1.00 0.00 O ATOM 694 CB TRP A 44 5.801 2.140 -0.618 1.00 0.00 C ATOM 695 CG TRP A 44 5.264 0.877 -0.003 1.00 0.00 C ATOM 696 CD1 TRP A 44 5.436 0.456 1.285 1.00 0.00 C ATOM 697 CD2 TRP A 44 4.461 -0.122 -0.646 1.00 0.00 C ATOM 698 NE1 TRP A 44 4.808 -0.750 1.477 1.00 0.00 N ATOM 699 CE2 TRP A 44 4.197 -1.122 0.309 1.00 0.00 C ATOM 700 CE3 TRP A 44 3.943 -0.267 -1.936 1.00 0.00 C ATOM 701 CZ2 TRP A 44 3.437 -2.252 0.010 1.00 0.00 C ATOM 702 CZ3 TRP A 44 3.188 -1.388 -2.229 1.00 0.00 C ATOM 703 CH2 TRP A 44 2.942 -2.367 -1.260 1.00 0.00 C ATOM 0 H TRP A 44 7.048 4.074 -1.487 1.00 0.00 H new ATOM 0 HA TRP A 44 7.876 1.703 -0.253 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.727 2.948 0.110 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.173 2.416 -1.465 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.986 0.994 2.043 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.798 -1.282 2.347 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.129 0.483 -2.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.246 -3.010 0.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.782 -1.510 -3.222 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.349 -3.231 -1.520 1.00 0.00 H new ATOM 714 N LYS A 45 6.781 1.279 -3.359 1.00 0.00 N ATOM 715 CA LYS A 45 6.803 0.370 -4.507 1.00 0.00 C ATOM 716 C LYS A 45 8.238 0.094 -4.962 1.00 0.00 C ATOM 717 O LYS A 45 8.577 -1.033 -5.332 1.00 0.00 O ATOM 718 CB LYS A 45 5.983 0.955 -5.667 1.00 0.00 C ATOM 719 CG LYS A 45 4.497 1.125 -5.348 1.00 0.00 C ATOM 720 CD LYS A 45 3.731 1.767 -6.504 1.00 0.00 C ATOM 721 CE LYS A 45 3.718 0.889 -7.751 1.00 0.00 C ATOM 722 NZ LYS A 45 3.001 -0.397 -7.532 1.00 0.00 N ATOM 0 H LYS A 45 6.266 2.144 -3.522 1.00 0.00 H new ATOM 0 HA LYS A 45 6.356 -0.575 -4.198 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.399 1.924 -5.941 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.087 0.306 -6.536 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.062 0.152 -5.121 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.386 1.740 -4.455 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.706 1.965 -6.191 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.182 2.730 -6.745 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.244 1.431 -8.569 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.743 0.683 -8.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.886 -0.889 -8.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.550 -0.994 -6.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.065 -0.207 -7.120 1.00 0.00 H new ATOM 736 N ALA A 46 9.076 1.126 -4.923 1.00 0.00 N ATOM 737 CA ALA A 46 10.479 0.999 -5.314 1.00 0.00 C ATOM 738 C ALA A 46 11.196 0.005 -4.406 1.00 0.00 C ATOM 739 O ALA A 46 11.954 -0.847 -4.871 1.00 0.00 O ATOM 740 CB ALA A 46 11.170 2.358 -5.278 1.00 0.00 C ATOM 0 H ALA A 46 8.808 2.063 -4.624 1.00 0.00 H new ATOM 0 HA ALA A 46 10.521 0.623 -6.336 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.213 2.244 -5.572 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.671 3.038 -5.968 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.120 2.765 -4.268 1.00 0.00 H new ATOM 746 N CYS A 47 10.933 0.108 -3.107 1.00 0.00 N ATOM 747 CA CYS A 47 11.521 -0.801 -2.129 1.00 0.00 C ATOM 748 C CYS A 47 10.992 -2.223 -2.330 1.00 0.00 C ATOM 749 O CYS A 47 11.721 -3.202 -2.141 1.00 0.00 O ATOM 750 CB CYS A 47 11.228 -0.308 -0.709 1.00 0.00 C ATOM 751 SG CYS A 47 11.944 1.309 -0.333 1.00 0.00 S ATOM 0 H CYS A 47 10.315 0.814 -2.706 1.00 0.00 H new ATOM 0 HA CYS A 47 12.601 -0.819 -2.273 1.00 0.00 H new ATOM 0 HB2 CYS A 47 10.148 -0.258 -0.568 1.00 0.00 H new ATOM 0 HB3 CYS A 47 11.609 -1.038 0.005 1.00 0.00 H new ATOM 0 HG CYS A 47 11.271 2.235 -0.949 1.00 0.00 H new ATOM 757 N GLU A 48 9.726 -2.325 -2.734 1.00 0.00 N ATOM 758 CA GLU A 48 9.103 -3.615 -3.034 1.00 0.00 C ATOM 759 C GLU A 48 9.735 -4.239 -4.280 1.00 0.00 C ATOM 760 O GLU A 48 9.758 -5.459 -4.436 1.00 0.00 O ATOM 761 CB GLU A 48 7.588 -3.444 -3.224 1.00 0.00 C ATOM 762 CG GLU A 48 6.849 -3.040 -1.953 1.00 0.00 C ATOM 763 CD GLU A 48 6.850 -4.137 -0.898 1.00 0.00 C ATOM 764 OE1 GLU A 48 5.931 -4.985 -0.912 1.00 0.00 O ATOM 765 OE2 GLU A 48 7.764 -4.156 -0.045 1.00 0.00 O ATOM 0 H GLU A 48 9.108 -1.524 -2.862 1.00 0.00 H new ATOM 0 HA GLU A 48 9.272 -4.287 -2.192 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.410 -2.690 -3.991 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.170 -4.380 -3.594 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.310 -2.143 -1.539 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.820 -2.783 -2.203 1.00 0.00 H new ATOM 772 N ARG A 49 10.255 -3.394 -5.169 1.00 0.00 N ATOM 773 CA ARG A 49 10.954 -3.872 -6.361 1.00 0.00 C ATOM 774 C ARG A 49 12.420 -4.155 -6.037 1.00 0.00 C ATOM 775 O ARG A 49 13.054 -5.005 -6.663 1.00 0.00 O ATOM 776 CB ARG A 49 10.851 -2.851 -7.504 1.00 0.00 C ATOM 777 CG ARG A 49 11.523 -3.320 -8.794 1.00 0.00 C ATOM 778 CD ARG A 49 11.315 -2.345 -9.947 1.00 0.00 C ATOM 779 NE ARG A 49 11.910 -2.848 -11.188 1.00 0.00 N ATOM 780 CZ ARG A 49 11.238 -3.523 -12.125 1.00 0.00 C ATOM 781 NH1 ARG A 49 9.933 -3.725 -11.997 1.00 0.00 N ATOM 782 NH2 ARG A 49 11.868 -3.989 -13.193 1.00 0.00 N ATOM 0 H ARG A 49 10.206 -2.378 -5.087 1.00 0.00 H new ATOM 0 HA ARG A 49 10.478 -4.797 -6.686 1.00 0.00 H new ATOM 0 HB2 ARG A 49 9.800 -2.645 -7.704 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.305 -1.913 -7.186 1.00 0.00 H new ATOM 0 HG2 ARG A 49 12.591 -3.447 -8.618 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.127 -4.297 -9.072 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.248 -2.177 -10.095 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.757 -1.381 -9.694 1.00 0.00 H new ATOM 0 HE ARG A 49 12.902 -2.671 -11.347 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.439 -3.364 -11.181 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.424 -4.241 -12.715 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.870 -3.833 -13.302 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.351 -4.504 -13.906 1.00 0.00 H new ATOM 796 N PHE A 50 12.944 -3.440 -5.047 1.00 0.00 N ATOM 797 CA PHE A 50 14.331 -3.600 -4.612 1.00 0.00 C ATOM 798 C PHE A 50 14.528 -4.981 -3.989 1.00 0.00 C ATOM 799 O PHE A 50 15.503 -5.676 -4.276 1.00 0.00 O ATOM 800 CB PHE A 50 14.685 -2.494 -3.599 1.00 0.00 C ATOM 801 CG PHE A 50 16.135 -2.467 -3.174 1.00 0.00 C ATOM 802 CD1 PHE A 50 16.585 -3.249 -2.120 1.00 0.00 C ATOM 803 CD2 PHE A 50 17.045 -1.646 -3.826 1.00 0.00 C ATOM 804 CE1 PHE A 50 17.910 -3.215 -1.728 1.00 0.00 C ATOM 805 CE2 PHE A 50 18.369 -1.608 -3.435 1.00 0.00 C ATOM 806 CZ PHE A 50 18.803 -2.393 -2.386 1.00 0.00 C ATOM 0 H PHE A 50 12.424 -2.736 -4.524 1.00 0.00 H new ATOM 0 HA PHE A 50 14.993 -3.514 -5.474 1.00 0.00 H new ATOM 0 HB2 PHE A 50 14.430 -1.527 -4.033 1.00 0.00 H new ATOM 0 HB3 PHE A 50 14.063 -2.619 -2.713 1.00 0.00 H new ATOM 0 HD1 PHE A 50 15.891 -3.892 -1.599 1.00 0.00 H new ATOM 0 HD2 PHE A 50 16.714 -1.030 -4.649 1.00 0.00 H new ATOM 0 HE1 PHE A 50 18.247 -3.831 -0.907 1.00 0.00 H new ATOM 0 HE2 PHE A 50 19.065 -0.963 -3.951 1.00 0.00 H new ATOM 0 HZ PHE A 50 19.839 -2.364 -2.081 1.00 0.00 H new ATOM 816 N GLN A 51 13.570 -5.379 -3.156 1.00 0.00 N ATOM 817 CA GLN A 51 13.630 -6.658 -2.445 1.00 0.00 C ATOM 818 C GLN A 51 13.539 -7.837 -3.421 1.00 0.00 C ATOM 819 O GLN A 51 13.811 -8.981 -3.055 1.00 0.00 O ATOM 820 CB GLN A 51 12.494 -6.733 -1.417 1.00 0.00 C ATOM 821 CG GLN A 51 11.114 -6.886 -2.047 1.00 0.00 C ATOM 822 CD GLN A 51 9.972 -6.674 -1.068 1.00 0.00 C ATOM 823 OE1 GLN A 51 8.928 -7.317 -1.167 1.00 0.00 O ATOM 824 NE2 GLN A 51 10.144 -5.747 -0.138 1.00 0.00 N ATOM 0 H GLN A 51 12.734 -4.830 -2.954 1.00 0.00 H new ATOM 0 HA GLN A 51 14.589 -6.721 -1.930 1.00 0.00 H new ATOM 0 HB2 GLN A 51 12.675 -7.574 -0.748 1.00 0.00 H new ATOM 0 HB3 GLN A 51 12.508 -5.831 -0.805 1.00 0.00 H new ATOM 0 HG2 GLN A 51 11.017 -6.173 -2.866 1.00 0.00 H new ATOM 0 HG3 GLN A 51 11.030 -7.883 -2.480 1.00 0.00 H new ATOM 0 HE21 GLN A 51 11.024 -5.234 -0.086 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.397 -5.546 0.527 1.00 0.00 H new ATOM 833 N GLN A 52 13.144 -7.544 -4.661 1.00 0.00 N ATOM 834 CA GLN A 52 13.048 -8.557 -5.712 1.00 0.00 C ATOM 835 C GLN A 52 14.423 -9.162 -5.995 1.00 0.00 C ATOM 836 O GLN A 52 14.540 -10.342 -6.334 1.00 0.00 O ATOM 837 CB GLN A 52 12.468 -7.935 -6.991 1.00 0.00 C ATOM 838 CG GLN A 52 12.376 -8.894 -8.175 1.00 0.00 C ATOM 839 CD GLN A 52 11.876 -8.224 -9.448 1.00 0.00 C ATOM 840 OE1 GLN A 52 11.237 -8.856 -10.287 1.00 0.00 O ATOM 841 NE2 GLN A 52 12.174 -6.940 -9.611 1.00 0.00 N ATOM 0 H GLN A 52 12.884 -6.605 -4.963 1.00 0.00 H new ATOM 0 HA GLN A 52 12.383 -9.351 -5.373 1.00 0.00 H new ATOM 0 HB2 GLN A 52 11.472 -7.550 -6.773 1.00 0.00 H new ATOM 0 HB3 GLN A 52 13.084 -7.082 -7.277 1.00 0.00 H new ATOM 0 HG2 GLN A 52 13.359 -9.327 -8.361 1.00 0.00 H new ATOM 0 HG3 GLN A 52 11.708 -9.716 -7.918 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.706 -6.445 -8.895 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.871 -6.449 -10.452 1.00 0.00 H new ATOM 850 N ILE A 53 15.459 -8.345 -5.836 1.00 0.00 N ATOM 851 CA ILE A 53 16.831 -8.776 -6.072 1.00 0.00 C ATOM 852 C ILE A 53 17.302 -9.656 -4.905 1.00 0.00 C ATOM 853 O ILE A 53 17.450 -9.172 -3.783 1.00 0.00 O ATOM 854 CB ILE A 53 17.776 -7.554 -6.223 1.00 0.00 C ATOM 855 CG1 ILE A 53 17.200 -6.554 -7.246 1.00 0.00 C ATOM 856 CG2 ILE A 53 19.177 -8.009 -6.638 1.00 0.00 C ATOM 857 CD1 ILE A 53 17.934 -5.225 -7.296 1.00 0.00 C ATOM 0 H ILE A 53 15.372 -7.372 -5.542 1.00 0.00 H new ATOM 0 HA ILE A 53 16.860 -9.349 -6.999 1.00 0.00 H new ATOM 0 HB ILE A 53 17.853 -7.052 -5.259 1.00 0.00 H new ATOM 0 HG12 ILE A 53 17.226 -7.009 -8.236 1.00 0.00 H new ATOM 0 HG13 ILE A 53 16.153 -6.369 -7.007 1.00 0.00 H new ATOM 0 HG21 ILE A 53 19.827 -7.140 -6.739 1.00 0.00 H new ATOM 0 HG22 ILE A 53 19.582 -8.678 -5.879 1.00 0.00 H new ATOM 0 HG23 ILE A 53 19.122 -8.534 -7.592 1.00 0.00 H new ATOM 0 HD11 ILE A 53 17.467 -4.579 -8.040 1.00 0.00 H new ATOM 0 HD12 ILE A 53 17.886 -4.746 -6.318 1.00 0.00 H new ATOM 0 HD13 ILE A 53 18.976 -5.395 -7.566 1.00 0.00 H new ATOM 869 N PRO A 54 17.531 -10.966 -5.155 1.00 0.00 N ATOM 870 CA PRO A 54 17.834 -11.938 -4.092 1.00 0.00 C ATOM 871 C PRO A 54 19.061 -11.559 -3.260 1.00 0.00 C ATOM 872 O PRO A 54 19.012 -11.629 -2.034 1.00 0.00 O ATOM 873 CB PRO A 54 18.070 -13.259 -4.851 1.00 0.00 C ATOM 874 CG PRO A 54 18.311 -12.857 -6.268 1.00 0.00 C ATOM 875 CD PRO A 54 17.514 -11.601 -6.484 1.00 0.00 C ATOM 0 HA PRO A 54 17.023 -11.993 -3.366 1.00 0.00 H new ATOM 0 HB2 PRO A 54 18.924 -13.800 -4.444 1.00 0.00 H new ATOM 0 HB3 PRO A 54 17.207 -13.920 -4.770 1.00 0.00 H new ATOM 0 HG2 PRO A 54 19.372 -12.682 -6.449 1.00 0.00 H new ATOM 0 HG3 PRO A 54 17.996 -13.642 -6.955 1.00 0.00 H new ATOM 0 HD2 PRO A 54 17.966 -10.962 -7.243 1.00 0.00 H new ATOM 0 HD3 PRO A 54 16.498 -11.819 -6.814 1.00 0.00 H new ATOM 883 N ALA A 55 20.150 -11.178 -3.944 1.00 0.00 N ATOM 884 CA ALA A 55 21.420 -10.776 -3.307 1.00 0.00 C ATOM 885 C ALA A 55 22.563 -10.909 -4.306 1.00 0.00 C ATOM 886 O ALA A 55 23.525 -10.143 -4.273 1.00 0.00 O ATOM 887 CB ALA A 55 21.746 -11.626 -2.078 1.00 0.00 C ATOM 0 H ALA A 55 20.178 -11.139 -4.963 1.00 0.00 H new ATOM 0 HA ALA A 55 21.303 -9.741 -2.986 1.00 0.00 H new ATOM 0 HB1 ALA A 55 22.689 -11.292 -1.645 1.00 0.00 H new ATOM 0 HB2 ALA A 55 20.950 -11.520 -1.341 1.00 0.00 H new ATOM 0 HB3 ALA A 55 21.832 -12.672 -2.372 1.00 0.00 H new ATOM 893 N SER A 56 22.431 -11.892 -5.195 1.00 0.00 N ATOM 894 CA SER A 56 23.480 -12.266 -6.145 1.00 0.00 C ATOM 895 C SER A 56 24.054 -11.055 -6.885 1.00 0.00 C ATOM 896 O SER A 56 25.241 -11.029 -7.225 1.00 0.00 O ATOM 897 CB SER A 56 22.904 -13.272 -7.141 1.00 0.00 C ATOM 898 OG SER A 56 22.070 -14.203 -6.474 1.00 0.00 O ATOM 0 H SER A 56 21.586 -12.457 -5.278 1.00 0.00 H new ATOM 0 HA SER A 56 24.304 -12.711 -5.588 1.00 0.00 H new ATOM 0 HB2 SER A 56 22.334 -12.748 -7.909 1.00 0.00 H new ATOM 0 HB3 SER A 56 23.714 -13.797 -7.647 1.00 0.00 H new ATOM 0 HG SER A 56 21.706 -14.840 -7.124 1.00 0.00 H new ATOM 904 N ASP A 57 23.213 -10.057 -7.139 1.00 0.00 N ATOM 905 CA ASP A 57 23.641 -8.843 -7.834 1.00 0.00 C ATOM 906 C ASP A 57 23.832 -7.691 -6.850 1.00 0.00 C ATOM 907 O ASP A 57 22.930 -6.876 -6.654 1.00 0.00 O ATOM 908 CB ASP A 57 22.627 -8.444 -8.916 1.00 0.00 C ATOM 909 CG ASP A 57 22.634 -9.382 -10.109 1.00 0.00 C ATOM 910 OD1 ASP A 57 23.492 -9.210 -10.998 1.00 0.00 O ATOM 911 OD2 ASP A 57 21.781 -10.295 -10.165 1.00 0.00 O ATOM 0 H ASP A 57 22.228 -10.063 -6.874 1.00 0.00 H new ATOM 0 HA ASP A 57 24.597 -9.056 -8.313 1.00 0.00 H new ATOM 0 HB2 ASP A 57 21.628 -8.426 -8.481 1.00 0.00 H new ATOM 0 HB3 ASP A 57 22.845 -7.431 -9.255 1.00 0.00 H new ATOM 916 N THR A 58 25.006 -7.637 -6.229 1.00 0.00 N ATOM 917 CA THR A 58 25.335 -6.573 -5.286 1.00 0.00 C ATOM 918 C THR A 58 25.354 -5.214 -5.992 1.00 0.00 C ATOM 919 O THR A 58 24.811 -4.227 -5.491 1.00 0.00 O ATOM 920 CB THR A 58 26.711 -6.831 -4.625 1.00 0.00 C ATOM 921 OG1 THR A 58 26.748 -8.160 -4.085 1.00 0.00 O ATOM 922 CG2 THR A 58 26.995 -5.821 -3.515 1.00 0.00 C ATOM 0 H THR A 58 25.750 -8.322 -6.363 1.00 0.00 H new ATOM 0 HA THR A 58 24.567 -6.563 -4.513 1.00 0.00 H new ATOM 0 HB THR A 58 27.478 -6.720 -5.391 1.00 0.00 H new ATOM 0 HG1 THR A 58 27.621 -8.320 -3.669 1.00 0.00 H new ATOM 0 HG21 THR A 58 27.969 -6.031 -3.072 1.00 0.00 H new ATOM 0 HG22 THR A 58 26.995 -4.814 -3.931 1.00 0.00 H new ATOM 0 HG23 THR A 58 26.224 -5.897 -2.748 1.00 0.00 H new ATOM 930 N GLN A 59 25.967 -5.181 -7.172 1.00 0.00 N ATOM 931 CA GLN A 59 26.096 -3.948 -7.941 1.00 0.00 C ATOM 932 C GLN A 59 24.730 -3.462 -8.419 1.00 0.00 C ATOM 933 O GLN A 59 24.454 -2.264 -8.397 1.00 0.00 O ATOM 934 CB GLN A 59 27.044 -4.140 -9.136 1.00 0.00 C ATOM 935 CG GLN A 59 28.515 -4.293 -8.748 1.00 0.00 C ATOM 936 CD GLN A 59 28.796 -5.535 -7.915 1.00 0.00 C ATOM 937 OE1 GLN A 59 28.125 -6.562 -8.052 1.00 0.00 O ATOM 938 NE2 GLN A 59 29.789 -5.455 -7.043 1.00 0.00 N ATOM 0 H GLN A 59 26.384 -5.998 -7.618 1.00 0.00 H new ATOM 0 HA GLN A 59 26.523 -3.189 -7.285 1.00 0.00 H new ATOM 0 HB2 GLN A 59 26.733 -5.023 -9.694 1.00 0.00 H new ATOM 0 HB3 GLN A 59 26.943 -3.287 -9.807 1.00 0.00 H new ATOM 0 HG2 GLN A 59 29.120 -4.328 -9.654 1.00 0.00 H new ATOM 0 HG3 GLN A 59 28.829 -3.411 -8.189 1.00 0.00 H new ATOM 0 HE21 GLN A 59 30.323 -4.590 -6.956 1.00 0.00 H new ATOM 0 HE22 GLN A 59 30.020 -6.258 -6.458 1.00 0.00 H new ATOM 947 N GLN A 60 23.879 -4.394 -8.843 1.00 0.00 N ATOM 948 CA GLN A 60 22.526 -4.050 -9.280 1.00 0.00 C ATOM 949 C GLN A 60 21.727 -3.485 -8.106 1.00 0.00 C ATOM 950 O GLN A 60 21.008 -2.496 -8.251 1.00 0.00 O ATOM 951 CB GLN A 60 21.819 -5.270 -9.880 1.00 0.00 C ATOM 952 CG GLN A 60 20.459 -4.958 -10.499 1.00 0.00 C ATOM 953 CD GLN A 60 19.802 -6.187 -11.099 1.00 0.00 C ATOM 954 OE1 GLN A 60 19.995 -6.501 -12.275 1.00 0.00 O ATOM 955 NE2 GLN A 60 19.022 -6.890 -10.294 1.00 0.00 N ATOM 0 H GLN A 60 24.100 -5.389 -8.894 1.00 0.00 H new ATOM 0 HA GLN A 60 22.594 -3.289 -10.057 1.00 0.00 H new ATOM 0 HB2 GLN A 60 22.461 -5.710 -10.643 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.688 -6.021 -9.101 1.00 0.00 H new ATOM 0 HG2 GLN A 60 19.804 -4.535 -9.737 1.00 0.00 H new ATOM 0 HG3 GLN A 60 20.580 -4.200 -11.273 1.00 0.00 H new ATOM 0 HE21 GLN A 60 18.889 -6.595 -9.327 1.00 0.00 H new ATOM 0 HE22 GLN A 60 18.553 -7.727 -10.641 1.00 0.00 H new ATOM 964 N LEU A 61 21.878 -4.112 -6.936 1.00 0.00 N ATOM 965 CA LEU A 61 21.283 -3.595 -5.704 1.00 0.00 C ATOM 966 C LEU A 61 21.696 -2.140 -5.497 1.00 0.00 C ATOM 967 O LEU A 61 20.876 -1.293 -5.152 1.00 0.00 O ATOM 968 CB LEU A 61 21.728 -4.434 -4.493 1.00 0.00 C ATOM 969 CG LEU A 61 21.038 -5.799 -4.324 1.00 0.00 C ATOM 970 CD1 LEU A 61 21.763 -6.644 -3.276 1.00 0.00 C ATOM 971 CD2 LEU A 61 19.573 -5.611 -3.933 1.00 0.00 C ATOM 0 H LEU A 61 22.406 -4.976 -6.818 1.00 0.00 H new ATOM 0 HA LEU A 61 20.198 -3.656 -5.794 1.00 0.00 H new ATOM 0 HB2 LEU A 61 22.803 -4.600 -4.567 1.00 0.00 H new ATOM 0 HB3 LEU A 61 21.557 -3.849 -3.589 1.00 0.00 H new ATOM 0 HG LEU A 61 21.080 -6.324 -5.278 1.00 0.00 H new ATOM 0 HD11 LEU A 61 21.259 -7.605 -3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 61 22.794 -6.807 -3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 61 21.753 -6.123 -2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 61 19.099 -6.586 -3.817 1.00 0.00 H new ATOM 0 HD22 LEU A 61 19.515 -5.065 -2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 61 19.058 -5.047 -4.711 1.00 0.00 H new ATOM 983 N ALA A 62 22.975 -1.860 -5.733 1.00 0.00 N ATOM 984 CA ALA A 62 23.520 -0.516 -5.567 1.00 0.00 C ATOM 985 C ALA A 62 22.872 0.477 -6.534 1.00 0.00 C ATOM 986 O ALA A 62 22.736 1.657 -6.217 1.00 0.00 O ATOM 987 CB ALA A 62 25.035 -0.531 -5.753 1.00 0.00 C ATOM 0 H ALA A 62 23.658 -2.552 -6.042 1.00 0.00 H new ATOM 0 HA ALA A 62 23.291 -0.187 -4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 62 25.427 0.478 -5.626 1.00 0.00 H new ATOM 0 HB2 ALA A 62 25.486 -1.191 -5.012 1.00 0.00 H new ATOM 0 HB3 ALA A 62 25.275 -0.891 -6.754 1.00 0.00 H new ATOM 993 N GLN A 63 22.466 -0.010 -7.708 1.00 0.00 N ATOM 994 CA GLN A 63 21.852 0.845 -8.727 1.00 0.00 C ATOM 995 C GLN A 63 20.492 1.343 -8.248 1.00 0.00 C ATOM 996 O GLN A 63 20.231 2.548 -8.214 1.00 0.00 O ATOM 997 CB GLN A 63 21.694 0.088 -10.052 1.00 0.00 C ATOM 998 CG GLN A 63 22.965 -0.611 -10.511 1.00 0.00 C ATOM 999 CD GLN A 63 24.157 0.322 -10.622 1.00 0.00 C ATOM 1000 OE1 GLN A 63 24.019 1.499 -10.957 1.00 0.00 O ATOM 1001 NE2 GLN A 63 25.337 -0.195 -10.320 1.00 0.00 N ATOM 0 H GLN A 63 22.551 -0.990 -7.977 1.00 0.00 H new ATOM 0 HA GLN A 63 22.507 1.700 -8.893 1.00 0.00 H new ATOM 0 HB2 GLN A 63 20.901 -0.652 -9.945 1.00 0.00 H new ATOM 0 HB3 GLN A 63 21.375 0.788 -10.825 1.00 0.00 H new ATOM 0 HG2 GLN A 63 23.204 -1.412 -9.812 1.00 0.00 H new ATOM 0 HG3 GLN A 63 22.786 -1.077 -11.480 1.00 0.00 H new ATOM 0 HE21 GLN A 63 25.410 -1.175 -10.047 1.00 0.00 H new ATOM 0 HE22 GLN A 63 26.174 0.387 -10.360 1.00 0.00 H new ATOM 1010 N GLU A 64 19.632 0.407 -7.868 1.00 0.00 N ATOM 1011 CA GLU A 64 18.320 0.749 -7.328 1.00 0.00 C ATOM 1012 C GLU A 64 18.469 1.496 -6.005 1.00 0.00 C ATOM 1013 O GLU A 64 17.673 2.380 -5.689 1.00 0.00 O ATOM 1014 CB GLU A 64 17.457 -0.512 -7.157 1.00 0.00 C ATOM 1015 CG GLU A 64 16.751 -0.959 -8.437 1.00 0.00 C ATOM 1016 CD GLU A 64 17.699 -1.194 -9.605 1.00 0.00 C ATOM 1017 OE1 GLU A 64 18.180 -2.334 -9.769 1.00 0.00 O ATOM 1018 OE2 GLU A 64 17.947 -0.243 -10.386 1.00 0.00 O ATOM 0 H GLU A 64 19.818 -0.594 -7.923 1.00 0.00 H new ATOM 0 HA GLU A 64 17.814 1.406 -8.035 1.00 0.00 H new ATOM 0 HB2 GLU A 64 18.087 -1.326 -6.799 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.708 -0.326 -6.387 1.00 0.00 H new ATOM 0 HG2 GLU A 64 16.200 -1.878 -8.236 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.018 -0.204 -8.721 1.00 0.00 H new ATOM 1025 N ALA A 65 19.510 1.154 -5.249 1.00 0.00 N ATOM 1026 CA ALA A 65 19.785 1.815 -3.977 1.00 0.00 C ATOM 1027 C ALA A 65 20.068 3.302 -4.185 1.00 0.00 C ATOM 1028 O ALA A 65 19.460 4.150 -3.534 1.00 0.00 O ATOM 1029 CB ALA A 65 20.953 1.145 -3.259 1.00 0.00 C ATOM 0 H ALA A 65 20.177 0.423 -5.496 1.00 0.00 H new ATOM 0 HA ALA A 65 18.897 1.720 -3.352 1.00 0.00 H new ATOM 0 HB1 ALA A 65 21.140 1.655 -2.314 1.00 0.00 H new ATOM 0 HB2 ALA A 65 20.710 0.100 -3.066 1.00 0.00 H new ATOM 0 HB3 ALA A 65 21.845 1.201 -3.884 1.00 0.00 H new ATOM 1035 N ARG A 66 20.980 3.613 -5.105 1.00 0.00 N ATOM 1036 CA ARG A 66 21.364 5.001 -5.368 1.00 0.00 C ATOM 1037 C ARG A 66 20.210 5.774 -6.004 1.00 0.00 C ATOM 1038 O ARG A 66 20.057 6.973 -5.769 1.00 0.00 O ATOM 1039 CB ARG A 66 22.622 5.071 -6.254 1.00 0.00 C ATOM 1040 CG ARG A 66 22.470 4.400 -7.615 1.00 0.00 C ATOM 1041 CD ARG A 66 23.755 4.452 -8.437 1.00 0.00 C ATOM 1042 NE ARG A 66 24.890 3.833 -7.743 1.00 0.00 N ATOM 1043 CZ ARG A 66 25.885 3.178 -8.352 1.00 0.00 C ATOM 1044 NH1 ARG A 66 25.884 3.025 -9.674 1.00 0.00 N ATOM 1045 NH2 ARG A 66 26.883 2.680 -7.631 1.00 0.00 N ATOM 0 H ARG A 66 21.466 2.925 -5.680 1.00 0.00 H new ATOM 0 HA ARG A 66 21.601 5.468 -4.412 1.00 0.00 H new ATOM 0 HB2 ARG A 66 22.887 6.117 -6.406 1.00 0.00 H new ATOM 0 HB3 ARG A 66 23.452 4.605 -5.723 1.00 0.00 H new ATOM 0 HG2 ARG A 66 22.175 3.360 -7.473 1.00 0.00 H new ATOM 0 HG3 ARG A 66 21.668 4.887 -8.169 1.00 0.00 H new ATOM 0 HD2 ARG A 66 23.595 3.945 -9.389 1.00 0.00 H new ATOM 0 HD3 ARG A 66 23.995 5.490 -8.665 1.00 0.00 H new ATOM 0 HE ARG A 66 24.923 3.907 -6.726 1.00 0.00 H new ATOM 0 HH11 ARG A 66 25.121 3.409 -10.231 1.00 0.00 H new ATOM 0 HH12 ARG A 66 26.647 2.524 -10.130 1.00 0.00 H new ATOM 0 HH21 ARG A 66 26.888 2.798 -6.618 1.00 0.00 H new ATOM 0 HH22 ARG A 66 27.644 2.180 -8.090 1.00 0.00 H new ATOM 1059 N ASN A 67 19.394 5.081 -6.795 1.00 0.00 N ATOM 1060 CA ASN A 67 18.212 5.691 -7.401 1.00 0.00 C ATOM 1061 C ASN A 67 17.225 6.122 -6.319 1.00 0.00 C ATOM 1062 O ASN A 67 16.879 7.301 -6.214 1.00 0.00 O ATOM 1063 CB ASN A 67 17.539 4.718 -8.381 1.00 0.00 C ATOM 1064 CG ASN A 67 16.191 5.227 -8.878 1.00 0.00 C ATOM 1065 OD1 ASN A 67 15.144 4.896 -8.318 1.00 0.00 O ATOM 1066 ND2 ASN A 67 16.203 6.045 -9.918 1.00 0.00 N ATOM 0 H ASN A 67 19.529 4.098 -7.031 1.00 0.00 H new ATOM 0 HA ASN A 67 18.529 6.573 -7.958 1.00 0.00 H new ATOM 0 HB2 ASN A 67 18.198 4.553 -9.234 1.00 0.00 H new ATOM 0 HB3 ASN A 67 17.402 3.753 -7.893 1.00 0.00 H new ATOM 0 HD21 ASN A 67 15.327 6.422 -10.280 1.00 0.00 H new ATOM 0 HD22 ASN A 67 17.088 6.298 -10.358 1.00 0.00 H new ATOM 1073 N ILE A 68 16.797 5.160 -5.504 1.00 0.00 N ATOM 1074 CA ILE A 68 15.868 5.426 -4.408 1.00 0.00 C ATOM 1075 C ILE A 68 16.466 6.453 -3.444 1.00 0.00 C ATOM 1076 O ILE A 68 15.771 7.342 -2.950 1.00 0.00 O ATOM 1077 CB ILE A 68 15.524 4.125 -3.632 1.00 0.00 C ATOM 1078 CG1 ILE A 68 14.871 3.092 -4.570 1.00 0.00 C ATOM 1079 CG2 ILE A 68 14.612 4.427 -2.440 1.00 0.00 C ATOM 1080 CD1 ILE A 68 14.585 1.757 -3.909 1.00 0.00 C ATOM 0 H ILE A 68 17.081 4.184 -5.583 1.00 0.00 H new ATOM 0 HA ILE A 68 14.950 5.823 -4.841 1.00 0.00 H new ATOM 0 HB ILE A 68 16.452 3.701 -3.248 1.00 0.00 H new ATOM 0 HG12 ILE A 68 13.938 3.504 -4.954 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.525 2.930 -5.427 1.00 0.00 H new ATOM 0 HG21 ILE A 68 14.385 3.501 -1.912 1.00 0.00 H new ATOM 0 HG22 ILE A 68 15.115 5.117 -1.763 1.00 0.00 H new ATOM 0 HG23 ILE A 68 13.686 4.879 -2.796 1.00 0.00 H new ATOM 0 HD11 ILE A 68 14.126 1.084 -4.633 1.00 0.00 H new ATOM 0 HD12 ILE A 68 15.517 1.322 -3.549 1.00 0.00 H new ATOM 0 HD13 ILE A 68 13.906 1.905 -3.069 1.00 0.00 H new ATOM 1092 N TYR A 69 17.769 6.334 -3.210 1.00 0.00 N ATOM 1093 CA TYR A 69 18.477 7.225 -2.299 1.00 0.00 C ATOM 1094 C TYR A 69 18.407 8.671 -2.786 1.00 0.00 C ATOM 1095 O TYR A 69 17.834 9.535 -2.128 1.00 0.00 O ATOM 1096 CB TYR A 69 19.946 6.797 -2.160 1.00 0.00 C ATOM 1097 CG TYR A 69 20.742 7.645 -1.182 1.00 0.00 C ATOM 1098 CD1 TYR A 69 20.712 7.380 0.183 1.00 0.00 C ATOM 1099 CD2 TYR A 69 21.522 8.709 -1.625 1.00 0.00 C ATOM 1100 CE1 TYR A 69 21.434 8.150 1.076 1.00 0.00 C ATOM 1101 CE2 TYR A 69 22.246 9.482 -0.740 1.00 0.00 C ATOM 1102 CZ TYR A 69 22.200 9.200 0.611 1.00 0.00 C ATOM 1103 OH TYR A 69 22.920 9.966 1.500 1.00 0.00 O ATOM 0 H TYR A 69 18.359 5.623 -3.643 1.00 0.00 H new ATOM 0 HA TYR A 69 17.992 7.160 -1.325 1.00 0.00 H new ATOM 0 HB2 TYR A 69 19.983 5.756 -1.838 1.00 0.00 H new ATOM 0 HB3 TYR A 69 20.423 6.844 -3.139 1.00 0.00 H new ATOM 0 HD1 TYR A 69 20.115 6.559 0.552 1.00 0.00 H new ATOM 0 HD2 TYR A 69 21.562 8.934 -2.681 1.00 0.00 H new ATOM 0 HE1 TYR A 69 21.399 7.931 2.133 1.00 0.00 H new ATOM 0 HE2 TYR A 69 22.846 10.304 -1.102 1.00 0.00 H new ATOM 0 HH TYR A 69 23.406 10.663 1.012 1.00 0.00 H new ATOM 1113 N GLN A 70 18.968 8.918 -3.960 1.00 0.00 N ATOM 1114 CA GLN A 70 19.110 10.274 -4.483 1.00 0.00 C ATOM 1115 C GLN A 70 17.762 10.883 -4.870 1.00 0.00 C ATOM 1116 O GLN A 70 17.686 12.066 -5.206 1.00 0.00 O ATOM 1117 CB GLN A 70 20.062 10.270 -5.684 1.00 0.00 C ATOM 1118 CG GLN A 70 21.495 9.882 -5.321 1.00 0.00 C ATOM 1119 CD GLN A 70 22.380 9.676 -6.540 1.00 0.00 C ATOM 1120 OE1 GLN A 70 21.910 9.289 -7.612 1.00 0.00 O ATOM 1121 NE2 GLN A 70 23.668 9.929 -6.382 1.00 0.00 N ATOM 0 H GLN A 70 19.336 8.192 -4.575 1.00 0.00 H new ATOM 0 HA GLN A 70 19.527 10.896 -3.691 1.00 0.00 H new ATOM 0 HB2 GLN A 70 19.685 9.576 -6.435 1.00 0.00 H new ATOM 0 HB3 GLN A 70 20.066 11.261 -6.139 1.00 0.00 H new ATOM 0 HG2 GLN A 70 21.928 10.659 -4.691 1.00 0.00 H new ATOM 0 HG3 GLN A 70 21.479 8.966 -4.731 1.00 0.00 H new ATOM 0 HE21 GLN A 70 24.018 10.248 -5.479 1.00 0.00 H new ATOM 0 HE22 GLN A 70 24.312 9.805 -7.164 1.00 0.00 H new ATOM 1130 N GLU A 71 16.699 10.086 -4.818 1.00 0.00 N ATOM 1131 CA GLU A 71 15.375 10.560 -5.208 1.00 0.00 C ATOM 1132 C GLU A 71 14.468 10.767 -3.993 1.00 0.00 C ATOM 1133 O GLU A 71 13.747 11.767 -3.915 1.00 0.00 O ATOM 1134 CB GLU A 71 14.742 9.577 -6.204 1.00 0.00 C ATOM 1135 CG GLU A 71 13.471 10.095 -6.872 1.00 0.00 C ATOM 1136 CD GLU A 71 13.178 9.394 -8.191 1.00 0.00 C ATOM 1137 OE1 GLU A 71 13.861 9.704 -9.191 1.00 0.00 O ATOM 1138 OE2 GLU A 71 12.266 8.542 -8.238 1.00 0.00 O ATOM 0 H GLU A 71 16.728 9.114 -4.511 1.00 0.00 H new ATOM 0 HA GLU A 71 15.489 11.531 -5.691 1.00 0.00 H new ATOM 0 HB2 GLU A 71 15.473 9.338 -6.976 1.00 0.00 H new ATOM 0 HB3 GLU A 71 14.513 8.647 -5.684 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.627 9.957 -6.196 1.00 0.00 H new ATOM 0 HG3 GLU A 71 13.567 11.166 -7.047 1.00 0.00 H new ATOM 1145 N PHE A 72 14.521 9.843 -3.032 1.00 0.00 N ATOM 1146 CA PHE A 72 13.598 9.873 -1.892 1.00 0.00 C ATOM 1147 C PHE A 72 14.325 9.988 -0.550 1.00 0.00 C ATOM 1148 O PHE A 72 13.698 10.274 0.469 1.00 0.00 O ATOM 1149 CB PHE A 72 12.739 8.600 -1.872 1.00 0.00 C ATOM 1150 CG PHE A 72 12.034 8.312 -3.173 1.00 0.00 C ATOM 1151 CD1 PHE A 72 10.953 9.079 -3.576 1.00 0.00 C ATOM 1152 CD2 PHE A 72 12.452 7.269 -3.987 1.00 0.00 C ATOM 1153 CE1 PHE A 72 10.303 8.812 -4.763 1.00 0.00 C ATOM 1154 CE2 PHE A 72 11.805 6.998 -5.175 1.00 0.00 C ATOM 1155 CZ PHE A 72 10.730 7.771 -5.563 1.00 0.00 C ATOM 0 H PHE A 72 15.187 9.070 -3.018 1.00 0.00 H new ATOM 0 HA PHE A 72 12.975 10.758 -2.021 1.00 0.00 H new ATOM 0 HB2 PHE A 72 13.374 7.751 -1.619 1.00 0.00 H new ATOM 0 HB3 PHE A 72 11.995 8.689 -1.080 1.00 0.00 H new ATOM 0 HD1 PHE A 72 10.616 9.895 -2.954 1.00 0.00 H new ATOM 0 HD2 PHE A 72 13.294 6.662 -3.687 1.00 0.00 H new ATOM 0 HE1 PHE A 72 9.461 9.417 -5.066 1.00 0.00 H new ATOM 0 HE2 PHE A 72 12.139 6.183 -5.800 1.00 0.00 H new ATOM 0 HZ PHE A 72 10.222 7.562 -6.493 1.00 0.00 H new ATOM 1165 N LEU A 73 15.634 9.756 -0.532 1.00 0.00 N ATOM 1166 CA LEU A 73 16.353 9.608 0.741 1.00 0.00 C ATOM 1167 C LEU A 73 17.569 10.531 0.858 1.00 0.00 C ATOM 1168 O LEU A 73 18.196 10.586 1.916 1.00 0.00 O ATOM 1169 CB LEU A 73 16.791 8.148 0.907 1.00 0.00 C ATOM 1170 CG LEU A 73 15.667 7.108 0.757 1.00 0.00 C ATOM 1171 CD1 LEU A 73 16.235 5.690 0.721 1.00 0.00 C ATOM 1172 CD2 LEU A 73 14.649 7.257 1.882 1.00 0.00 C ATOM 0 H LEU A 73 16.215 9.667 -1.365 1.00 0.00 H new ATOM 0 HA LEU A 73 15.665 9.898 1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.566 7.931 0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.244 8.031 1.891 1.00 0.00 H new ATOM 0 HG LEU A 73 15.160 7.288 -0.191 1.00 0.00 H new ATOM 0 HD11 LEU A 73 15.420 4.974 0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 73 16.916 5.592 -0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 73 16.774 5.490 1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 73 13.861 6.514 1.760 1.00 0.00 H new ATOM 0 HD22 LEU A 73 15.143 7.108 2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 73 14.214 8.256 1.849 1.00 0.00 H new ATOM 1184 N SER A 74 17.902 11.256 -0.205 1.00 0.00 N ATOM 1185 CA SER A 74 19.078 12.129 -0.193 1.00 0.00 C ATOM 1186 C SER A 74 18.829 13.373 0.670 1.00 0.00 C ATOM 1187 O SER A 74 17.782 13.491 1.317 1.00 0.00 O ATOM 1188 CB SER A 74 19.461 12.524 -1.628 1.00 0.00 C ATOM 1189 OG SER A 74 20.655 13.289 -1.657 1.00 0.00 O ATOM 0 H SER A 74 17.380 11.259 -1.082 1.00 0.00 H new ATOM 0 HA SER A 74 19.910 11.581 0.248 1.00 0.00 H new ATOM 0 HB2 SER A 74 19.589 11.625 -2.232 1.00 0.00 H new ATOM 0 HB3 SER A 74 18.650 13.097 -2.077 1.00 0.00 H new ATOM 0 HG SER A 74 20.436 14.232 -1.809 1.00 0.00 H new ATOM 1195 N SER A 75 19.801 14.286 0.684 1.00 0.00 N ATOM 1196 CA SER A 75 19.715 15.507 1.481 1.00 0.00 C ATOM 1197 C SER A 75 18.458 16.306 1.119 1.00 0.00 C ATOM 1198 O SER A 75 17.563 16.472 1.950 1.00 0.00 O ATOM 1199 CB SER A 75 20.980 16.349 1.269 1.00 0.00 C ATOM 1200 OG SER A 75 22.142 15.577 1.536 1.00 0.00 O ATOM 0 H SER A 75 20.664 14.200 0.147 1.00 0.00 H new ATOM 0 HA SER A 75 19.642 15.239 2.535 1.00 0.00 H new ATOM 0 HB2 SER A 75 21.010 16.719 0.244 1.00 0.00 H new ATOM 0 HB3 SER A 75 20.957 17.221 1.923 1.00 0.00 H new ATOM 0 HG SER A 75 22.940 16.128 1.395 1.00 0.00 H new ATOM 1206 N GLN A 76 18.399 16.791 -0.120 1.00 0.00 N ATOM 1207 CA GLN A 76 17.201 17.458 -0.631 1.00 0.00 C ATOM 1208 C GLN A 76 16.365 16.475 -1.443 1.00 0.00 C ATOM 1209 O GLN A 76 15.221 16.179 -1.087 1.00 0.00 O ATOM 1210 CB GLN A 76 17.564 18.679 -1.498 1.00 0.00 C ATOM 1211 CG GLN A 76 18.042 19.895 -0.708 1.00 0.00 C ATOM 1212 CD GLN A 76 19.374 19.683 -0.011 1.00 0.00 C ATOM 1213 OE1 GLN A 76 20.227 18.928 -0.483 1.00 0.00 O ATOM 1214 NE2 GLN A 76 19.562 20.356 1.114 1.00 0.00 N ATOM 0 H GLN A 76 19.167 16.735 -0.789 1.00 0.00 H new ATOM 0 HA GLN A 76 16.622 17.811 0.223 1.00 0.00 H new ATOM 0 HB2 GLN A 76 18.344 18.390 -2.203 1.00 0.00 H new ATOM 0 HB3 GLN A 76 16.692 18.963 -2.086 1.00 0.00 H new ATOM 0 HG2 GLN A 76 18.127 20.746 -1.384 1.00 0.00 H new ATOM 0 HG3 GLN A 76 17.289 20.153 0.037 1.00 0.00 H new ATOM 0 HE21 GLN A 76 18.829 20.970 1.469 1.00 0.00 H new ATOM 0 HE22 GLN A 76 20.439 20.260 1.625 1.00 0.00 H new ATOM 1223 N ALA A 77 16.951 15.975 -2.536 1.00 0.00 N ATOM 1224 CA ALA A 77 16.282 15.014 -3.415 1.00 0.00 C ATOM 1225 C ALA A 77 14.999 15.613 -3.997 1.00 0.00 C ATOM 1226 O ALA A 77 14.789 16.827 -3.937 1.00 0.00 O ATOM 1227 CB ALA A 77 15.985 13.720 -2.657 1.00 0.00 C ATOM 0 H ALA A 77 17.895 16.223 -2.833 1.00 0.00 H new ATOM 0 HA ALA A 77 16.949 14.781 -4.245 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.488 13.014 -3.322 1.00 0.00 H new ATOM 0 HB2 ALA A 77 16.918 13.285 -2.300 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.337 13.936 -1.808 1.00 0.00 H new ATOM 1233 N LEU A 78 14.152 14.764 -4.576 1.00 0.00 N ATOM 1234 CA LEU A 78 12.847 15.200 -5.065 1.00 0.00 C ATOM 1235 C LEU A 78 11.896 15.364 -3.884 1.00 0.00 C ATOM 1236 O LEU A 78 11.066 16.278 -3.857 1.00 0.00 O ATOM 1237 CB LEU A 78 12.270 14.199 -6.083 1.00 0.00 C ATOM 1238 CG LEU A 78 12.962 14.173 -7.462 1.00 0.00 C ATOM 1239 CD1 LEU A 78 14.407 13.691 -7.353 1.00 0.00 C ATOM 1240 CD2 LEU A 78 12.177 13.305 -8.444 1.00 0.00 C ATOM 0 H LEU A 78 14.346 13.773 -4.717 1.00 0.00 H new ATOM 0 HA LEU A 78 12.966 16.156 -5.574 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.323 13.199 -5.652 1.00 0.00 H new ATOM 0 HB3 LEU A 78 11.214 14.427 -6.231 1.00 0.00 H new ATOM 0 HG LEU A 78 12.981 15.195 -7.842 1.00 0.00 H new ATOM 0 HD11 LEU A 78 14.864 13.685 -8.342 1.00 0.00 H new ATOM 0 HD12 LEU A 78 14.966 14.361 -6.699 1.00 0.00 H new ATOM 0 HD13 LEU A 78 14.424 12.683 -6.939 1.00 0.00 H new ATOM 0 HD21 LEU A 78 12.682 13.300 -9.410 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.117 12.286 -8.061 1.00 0.00 H new ATOM 0 HD23 LEU A 78 11.171 13.708 -8.563 1.00 0.00 H new ATOM 1252 N SER A 79 12.041 14.471 -2.910 1.00 0.00 N ATOM 1253 CA SER A 79 11.269 14.519 -1.676 1.00 0.00 C ATOM 1254 C SER A 79 11.826 13.486 -0.692 1.00 0.00 C ATOM 1255 O SER A 79 11.801 12.289 -0.976 1.00 0.00 O ATOM 1256 CB SER A 79 9.783 14.245 -1.959 1.00 0.00 C ATOM 1257 OG SER A 79 8.991 14.410 -0.794 1.00 0.00 O ATOM 0 H SER A 79 12.699 13.693 -2.956 1.00 0.00 H new ATOM 0 HA SER A 79 11.351 15.514 -1.239 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.430 14.920 -2.738 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.665 13.230 -2.339 1.00 0.00 H new ATOM 0 HG SER A 79 8.052 14.230 -1.009 1.00 0.00 H new ATOM 1263 N PRO A 80 12.338 13.930 0.474 1.00 0.00 N ATOM 1264 CA PRO A 80 12.970 13.039 1.464 1.00 0.00 C ATOM 1265 C PRO A 80 11.947 12.254 2.296 1.00 0.00 C ATOM 1266 O PRO A 80 12.180 11.979 3.479 1.00 0.00 O ATOM 1267 CB PRO A 80 13.752 14.022 2.343 1.00 0.00 C ATOM 1268 CG PRO A 80 12.938 15.271 2.312 1.00 0.00 C ATOM 1269 CD PRO A 80 12.341 15.340 0.927 1.00 0.00 C ATOM 0 HA PRO A 80 13.584 12.269 0.998 1.00 0.00 H new ATOM 0 HB2 PRO A 80 13.863 13.645 3.360 1.00 0.00 H new ATOM 0 HB3 PRO A 80 14.756 14.192 1.954 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.158 15.248 3.073 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.556 16.145 2.515 1.00 0.00 H new ATOM 0 HD2 PRO A 80 11.334 15.757 0.946 1.00 0.00 H new ATOM 0 HD3 PRO A 80 12.935 15.971 0.266 1.00 0.00 H new ATOM 1277 N VAL A 81 10.851 11.845 1.638 1.00 0.00 N ATOM 1278 CA VAL A 81 9.695 11.212 2.292 1.00 0.00 C ATOM 1279 C VAL A 81 9.492 11.722 3.733 1.00 0.00 C ATOM 1280 O VAL A 81 9.334 12.928 3.947 1.00 0.00 O ATOM 1281 CB VAL A 81 9.759 9.651 2.234 1.00 0.00 C ATOM 1282 CG1 VAL A 81 9.435 9.145 0.832 1.00 0.00 C ATOM 1283 CG2 VAL A 81 11.120 9.115 2.679 1.00 0.00 C ATOM 0 H VAL A 81 10.741 11.945 0.629 1.00 0.00 H new ATOM 0 HA VAL A 81 8.817 11.512 1.720 1.00 0.00 H new ATOM 0 HB VAL A 81 9.008 9.278 2.931 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.486 8.056 0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 81 8.431 9.465 0.553 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.156 9.552 0.123 1.00 0.00 H new ATOM 0 HG21 VAL A 81 11.118 8.026 2.623 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.898 9.511 2.026 1.00 0.00 H new ATOM 0 HG23 VAL A 81 11.315 9.425 3.706 1.00 0.00 H new ATOM 1293 N ASN A 82 9.488 10.816 4.713 1.00 0.00 N ATOM 1294 CA ASN A 82 9.362 11.195 6.118 1.00 0.00 C ATOM 1295 C ASN A 82 9.667 9.988 6.997 1.00 0.00 C ATOM 1296 O ASN A 82 8.765 9.247 7.394 1.00 0.00 O ATOM 1297 CB ASN A 82 7.953 11.734 6.415 1.00 0.00 C ATOM 1298 CG ASN A 82 7.838 12.358 7.796 1.00 0.00 C ATOM 1299 OD1 ASN A 82 8.069 13.555 7.966 1.00 0.00 O ATOM 1300 ND2 ASN A 82 7.487 11.553 8.786 1.00 0.00 N ATOM 0 H ASN A 82 9.571 9.812 4.556 1.00 0.00 H new ATOM 0 HA ASN A 82 10.076 11.989 6.336 1.00 0.00 H new ATOM 0 HB2 ASN A 82 7.688 12.477 5.663 1.00 0.00 H new ATOM 0 HB3 ASN A 82 7.232 10.921 6.328 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.399 11.919 9.734 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.305 10.567 8.601 1.00 0.00 H new ATOM 1307 N ILE A 83 10.952 9.778 7.262 1.00 0.00 N ATOM 1308 CA ILE A 83 11.426 8.607 8.000 1.00 0.00 C ATOM 1309 C ILE A 83 12.530 9.007 8.983 1.00 0.00 C ATOM 1310 O ILE A 83 12.617 10.173 9.370 1.00 0.00 O ATOM 1311 CB ILE A 83 11.961 7.520 7.029 1.00 0.00 C ATOM 1312 CG1 ILE A 83 13.038 8.112 6.103 1.00 0.00 C ATOM 1313 CG2 ILE A 83 10.822 6.903 6.216 1.00 0.00 C ATOM 1314 CD1 ILE A 83 13.606 7.117 5.117 1.00 0.00 C ATOM 0 H ILE A 83 11.696 10.413 6.972 1.00 0.00 H new ATOM 0 HA ILE A 83 10.583 8.196 8.555 1.00 0.00 H new ATOM 0 HB ILE A 83 12.415 6.726 7.621 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.611 8.951 5.554 1.00 0.00 H new ATOM 0 HG13 ILE A 83 13.850 8.510 6.712 1.00 0.00 H new ATOM 0 HG21 ILE A 83 11.224 6.145 5.544 1.00 0.00 H new ATOM 0 HG22 ILE A 83 10.100 6.443 6.891 1.00 0.00 H new ATOM 0 HG23 ILE A 83 10.329 7.680 5.632 1.00 0.00 H new ATOM 0 HD11 ILE A 83 14.359 7.606 4.499 1.00 0.00 H new ATOM 0 HD12 ILE A 83 14.064 6.289 5.658 1.00 0.00 H new ATOM 0 HD13 ILE A 83 12.806 6.737 4.482 1.00 0.00 H new ATOM 1326 N ASP A 84 13.371 8.036 9.367 1.00 0.00 N ATOM 1327 CA ASP A 84 14.446 8.243 10.348 1.00 0.00 C ATOM 1328 C ASP A 84 15.199 9.548 10.098 1.00 0.00 C ATOM 1329 O ASP A 84 15.204 10.442 10.946 1.00 0.00 O ATOM 1330 CB ASP A 84 15.456 7.084 10.298 1.00 0.00 C ATOM 1331 CG ASP A 84 14.808 5.714 10.328 1.00 0.00 C ATOM 1332 OD1 ASP A 84 14.329 5.262 9.267 1.00 0.00 O ATOM 1333 OD2 ASP A 84 14.782 5.080 11.403 1.00 0.00 O ATOM 0 H ASP A 84 13.325 7.083 9.005 1.00 0.00 H new ATOM 0 HA ASP A 84 13.971 8.288 11.328 1.00 0.00 H new ATOM 0 HB2 ASP A 84 16.055 7.174 9.392 1.00 0.00 H new ATOM 0 HB3 ASP A 84 16.140 7.172 11.142 1.00 0.00 H new ATOM 1338 N ARG A 85 15.834 9.635 8.923 1.00 0.00 N ATOM 1339 CA ARG A 85 16.681 10.776 8.556 1.00 0.00 C ATOM 1340 C ARG A 85 17.827 10.940 9.560 1.00 0.00 C ATOM 1341 O ARG A 85 18.957 10.526 9.299 1.00 0.00 O ATOM 1342 CB ARG A 85 15.856 12.075 8.454 1.00 0.00 C ATOM 1343 CG ARG A 85 14.761 12.038 7.390 1.00 0.00 C ATOM 1344 CD ARG A 85 15.328 11.890 5.981 1.00 0.00 C ATOM 1345 NE ARG A 85 16.133 13.048 5.583 1.00 0.00 N ATOM 1346 CZ ARG A 85 16.672 13.208 4.372 1.00 0.00 C ATOM 1347 NH1 ARG A 85 16.536 12.270 3.444 1.00 0.00 N ATOM 1348 NH2 ARG A 85 17.351 14.307 4.084 1.00 0.00 N ATOM 0 H ARG A 85 15.775 8.917 8.201 1.00 0.00 H new ATOM 0 HA ARG A 85 17.108 10.575 7.573 1.00 0.00 H new ATOM 0 HB2 ARG A 85 15.399 12.279 9.422 1.00 0.00 H new ATOM 0 HB3 ARG A 85 16.530 12.904 8.238 1.00 0.00 H new ATOM 0 HG2 ARG A 85 14.085 11.208 7.596 1.00 0.00 H new ATOM 0 HG3 ARG A 85 14.170 12.952 7.448 1.00 0.00 H new ATOM 0 HD2 ARG A 85 15.940 10.990 5.930 1.00 0.00 H new ATOM 0 HD3 ARG A 85 14.509 11.759 5.274 1.00 0.00 H new ATOM 0 HE ARG A 85 16.292 13.779 6.276 1.00 0.00 H new ATOM 0 HH11 ARG A 85 16.016 11.418 3.653 1.00 0.00 H new ATOM 0 HH12 ARG A 85 16.951 12.401 2.522 1.00 0.00 H new ATOM 0 HH21 ARG A 85 17.464 15.036 4.789 1.00 0.00 H new ATOM 0 HH22 ARG A 85 17.761 14.425 3.158 1.00 0.00 H new ATOM 1362 N GLN A 86 17.510 11.512 10.718 1.00 0.00 N ATOM 1363 CA GLN A 86 18.473 11.706 11.799 1.00 0.00 C ATOM 1364 C GLN A 86 19.131 10.381 12.194 1.00 0.00 C ATOM 1365 O GLN A 86 20.347 10.301 12.368 1.00 0.00 O ATOM 1366 CB GLN A 86 17.754 12.318 13.010 1.00 0.00 C ATOM 1367 CG GLN A 86 18.634 12.515 14.239 1.00 0.00 C ATOM 1368 CD GLN A 86 17.842 12.971 15.454 1.00 0.00 C ATOM 1369 OE1 GLN A 86 16.665 12.637 15.605 1.00 0.00 O ATOM 1370 NE2 GLN A 86 18.478 13.731 16.328 1.00 0.00 N ATOM 0 H GLN A 86 16.574 11.856 10.934 1.00 0.00 H new ATOM 0 HA GLN A 86 19.257 12.380 11.454 1.00 0.00 H new ATOM 0 HB2 GLN A 86 17.338 13.283 12.719 1.00 0.00 H new ATOM 0 HB3 GLN A 86 16.915 11.677 13.280 1.00 0.00 H new ATOM 0 HG2 GLN A 86 19.143 11.580 14.471 1.00 0.00 H new ATOM 0 HG3 GLN A 86 19.406 13.251 14.015 1.00 0.00 H new ATOM 0 HE21 GLN A 86 19.452 13.986 16.168 1.00 0.00 H new ATOM 0 HE22 GLN A 86 17.994 14.062 17.163 1.00 0.00 H new ATOM 1379 N ALA A 87 18.311 9.343 12.326 1.00 0.00 N ATOM 1380 CA ALA A 87 18.782 8.023 12.748 1.00 0.00 C ATOM 1381 C ALA A 87 18.743 7.028 11.590 1.00 0.00 C ATOM 1382 O ALA A 87 18.566 5.826 11.797 1.00 0.00 O ATOM 1383 CB ALA A 87 17.926 7.521 13.906 1.00 0.00 C ATOM 0 H ALA A 87 17.308 9.389 12.146 1.00 0.00 H new ATOM 0 HA ALA A 87 19.818 8.113 13.075 1.00 0.00 H new ATOM 0 HB1 ALA A 87 18.278 6.538 14.219 1.00 0.00 H new ATOM 0 HB2 ALA A 87 18.001 8.216 14.742 1.00 0.00 H new ATOM 0 HB3 ALA A 87 16.887 7.449 13.586 1.00 0.00 H new ATOM 1389 N TRP A 88 18.921 7.528 10.371 1.00 0.00 N ATOM 1390 CA TRP A 88 18.832 6.682 9.184 1.00 0.00 C ATOM 1391 C TRP A 88 20.073 5.789 9.062 1.00 0.00 C ATOM 1392 O TRP A 88 21.091 6.039 9.712 1.00 0.00 O ATOM 1393 CB TRP A 88 18.646 7.538 7.922 1.00 0.00 C ATOM 1394 CG TRP A 88 18.121 6.753 6.756 1.00 0.00 C ATOM 1395 CD1 TRP A 88 16.863 6.235 6.624 1.00 0.00 C ATOM 1396 CD2 TRP A 88 18.829 6.386 5.566 1.00 0.00 C ATOM 1397 NE1 TRP A 88 16.753 5.565 5.432 1.00 0.00 N ATOM 1398 CE2 TRP A 88 17.943 5.644 4.766 1.00 0.00 C ATOM 1399 CE3 TRP A 88 20.127 6.612 5.100 1.00 0.00 C ATOM 1400 CZ2 TRP A 88 18.312 5.125 3.531 1.00 0.00 C ATOM 1401 CZ3 TRP A 88 20.491 6.094 3.871 1.00 0.00 C ATOM 1402 CH2 TRP A 88 19.586 5.358 3.099 1.00 0.00 C ATOM 0 H TRP A 88 19.127 8.508 10.179 1.00 0.00 H new ATOM 0 HA TRP A 88 17.960 6.036 9.287 1.00 0.00 H new ATOM 0 HB2 TRP A 88 17.959 8.356 8.142 1.00 0.00 H new ATOM 0 HB3 TRP A 88 19.601 7.988 7.650 1.00 0.00 H new ATOM 0 HD1 TRP A 88 16.072 6.338 7.352 1.00 0.00 H new ATOM 0 HE1 TRP A 88 15.917 5.085 5.097 1.00 0.00 H new ATOM 0 HE3 TRP A 88 20.832 7.180 5.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 17.615 4.557 2.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 21.492 6.261 3.500 1.00 0.00 H new ATOM 0 HH2 TRP A 88 19.901 4.967 2.143 1.00 0.00 H new ATOM 1413 N LEU A 89 19.974 4.754 8.222 1.00 0.00 N ATOM 1414 CA LEU A 89 21.038 3.760 8.060 1.00 0.00 C ATOM 1415 C LEU A 89 22.371 4.425 7.708 1.00 0.00 C ATOM 1416 O LEU A 89 23.340 4.341 8.468 1.00 0.00 O ATOM 1417 CB LEU A 89 20.650 2.745 6.971 1.00 0.00 C ATOM 1418 CG LEU A 89 19.332 1.986 7.217 1.00 0.00 C ATOM 1419 CD1 LEU A 89 19.026 1.044 6.056 1.00 0.00 C ATOM 1420 CD2 LEU A 89 19.385 1.220 8.539 1.00 0.00 C ATOM 0 H LEU A 89 19.156 4.582 7.637 1.00 0.00 H new ATOM 0 HA LEU A 89 21.162 3.240 9.010 1.00 0.00 H new ATOM 0 HB2 LEU A 89 20.575 3.270 6.019 1.00 0.00 H new ATOM 0 HB3 LEU A 89 21.456 2.018 6.872 1.00 0.00 H new ATOM 0 HG LEU A 89 18.526 2.717 7.282 1.00 0.00 H new ATOM 0 HD11 LEU A 89 18.091 0.518 6.251 1.00 0.00 H new ATOM 0 HD12 LEU A 89 18.934 1.620 5.135 1.00 0.00 H new ATOM 0 HD13 LEU A 89 19.834 0.320 5.952 1.00 0.00 H new ATOM 0 HD21 LEU A 89 18.444 0.692 8.691 1.00 0.00 H new ATOM 0 HD22 LEU A 89 20.204 0.501 8.510 1.00 0.00 H new ATOM 0 HD23 LEU A 89 19.545 1.920 9.359 1.00 0.00 H new ATOM 1432 N GLY A 90 22.410 5.079 6.556 1.00 0.00 N ATOM 1433 CA GLY A 90 23.602 5.793 6.133 1.00 0.00 C ATOM 1434 C GLY A 90 24.004 5.452 4.713 1.00 0.00 C ATOM 1435 O GLY A 90 23.400 4.584 4.077 1.00 0.00 O ATOM 0 H GLY A 90 21.631 5.129 5.900 1.00 0.00 H new ATOM 0 HA2 GLY A 90 23.427 6.866 6.211 1.00 0.00 H new ATOM 0 HA3 GLY A 90 24.424 5.555 6.808 1.00 0.00 H new ATOM 1439 N GLU A 91 25.043 6.122 4.224 1.00 0.00 N ATOM 1440 CA GLU A 91 25.522 5.934 2.854 1.00 0.00 C ATOM 1441 C GLU A 91 26.264 4.601 2.686 1.00 0.00 C ATOM 1442 O GLU A 91 26.774 4.301 1.603 1.00 0.00 O ATOM 1443 CB GLU A 91 26.422 7.106 2.406 1.00 0.00 C ATOM 1444 CG GLU A 91 27.634 7.373 3.301 1.00 0.00 C ATOM 1445 CD GLU A 91 27.282 8.116 4.582 1.00 0.00 C ATOM 1446 OE1 GLU A 91 27.135 9.355 4.535 1.00 0.00 O ATOM 1447 OE2 GLU A 91 27.128 7.463 5.638 1.00 0.00 O ATOM 0 H GLU A 91 25.575 6.807 4.760 1.00 0.00 H new ATOM 0 HA GLU A 91 24.640 5.911 2.214 1.00 0.00 H new ATOM 0 HB2 GLU A 91 26.774 6.907 1.394 1.00 0.00 H new ATOM 0 HB3 GLU A 91 25.817 8.012 2.361 1.00 0.00 H new ATOM 0 HG2 GLU A 91 28.105 6.424 3.557 1.00 0.00 H new ATOM 0 HG3 GLU A 91 28.369 7.953 2.743 1.00 0.00 H new ATOM 1454 N GLU A 92 26.292 3.793 3.746 1.00 0.00 N ATOM 1455 CA GLU A 92 26.922 2.477 3.698 1.00 0.00 C ATOM 1456 C GLU A 92 26.207 1.603 2.675 1.00 0.00 C ATOM 1457 O GLU A 92 26.809 0.732 2.048 1.00 0.00 O ATOM 1458 CB GLU A 92 26.880 1.805 5.081 1.00 0.00 C ATOM 1459 CG GLU A 92 25.470 1.646 5.650 1.00 0.00 C ATOM 1460 CD GLU A 92 25.430 0.776 6.898 1.00 0.00 C ATOM 1461 OE1 GLU A 92 25.275 -0.455 6.765 1.00 0.00 O ATOM 1462 OE2 GLU A 92 25.553 1.314 8.017 1.00 0.00 O ATOM 0 H GLU A 92 25.884 4.029 4.650 1.00 0.00 H new ATOM 0 HA GLU A 92 27.965 2.599 3.405 1.00 0.00 H new ATOM 0 HB2 GLU A 92 27.346 0.822 5.011 1.00 0.00 H new ATOM 0 HB3 GLU A 92 27.478 2.392 5.778 1.00 0.00 H new ATOM 0 HG2 GLU A 92 25.066 2.630 5.886 1.00 0.00 H new ATOM 0 HG3 GLU A 92 24.823 1.210 4.888 1.00 0.00 H new ATOM 1469 N VAL A 93 24.916 1.876 2.500 1.00 0.00 N ATOM 1470 CA VAL A 93 24.075 1.103 1.601 1.00 0.00 C ATOM 1471 C VAL A 93 24.496 1.304 0.144 1.00 0.00 C ATOM 1472 O VAL A 93 24.347 0.408 -0.684 1.00 0.00 O ATOM 1473 CB VAL A 93 22.580 1.479 1.763 1.00 0.00 C ATOM 1474 CG1 VAL A 93 21.701 0.648 0.826 1.00 0.00 C ATOM 1475 CG2 VAL A 93 22.134 1.317 3.218 1.00 0.00 C ATOM 0 H VAL A 93 24.429 2.636 2.976 1.00 0.00 H new ATOM 0 HA VAL A 93 24.203 0.054 1.867 1.00 0.00 H new ATOM 0 HB VAL A 93 22.464 2.527 1.488 1.00 0.00 H new ATOM 0 HG11 VAL A 93 20.657 0.932 0.960 1.00 0.00 H new ATOM 0 HG12 VAL A 93 21.997 0.830 -0.207 1.00 0.00 H new ATOM 0 HG13 VAL A 93 21.822 -0.410 1.057 1.00 0.00 H new ATOM 0 HG21 VAL A 93 21.082 1.586 3.308 1.00 0.00 H new ATOM 0 HG22 VAL A 93 22.271 0.281 3.527 1.00 0.00 H new ATOM 0 HG23 VAL A 93 22.731 1.968 3.856 1.00 0.00 H new ATOM 1485 N LEU A 94 25.032 2.483 -0.159 1.00 0.00 N ATOM 1486 CA LEU A 94 25.447 2.806 -1.523 1.00 0.00 C ATOM 1487 C LEU A 94 26.788 2.154 -1.833 1.00 0.00 C ATOM 1488 O LEU A 94 27.070 1.797 -2.978 1.00 0.00 O ATOM 1489 CB LEU A 94 25.527 4.327 -1.731 1.00 0.00 C ATOM 1490 CG LEU A 94 24.190 5.088 -1.605 1.00 0.00 C ATOM 1491 CD1 LEU A 94 23.099 4.408 -2.425 1.00 0.00 C ATOM 1492 CD2 LEU A 94 23.763 5.228 -0.146 1.00 0.00 C ATOM 0 H LEU A 94 25.189 3.229 0.518 1.00 0.00 H new ATOM 0 HA LEU A 94 24.697 2.413 -2.210 1.00 0.00 H new ATOM 0 HB2 LEU A 94 26.229 4.739 -1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 94 25.942 4.519 -2.720 1.00 0.00 H new ATOM 0 HG LEU A 94 24.343 6.091 -2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 94 22.166 4.962 -2.320 1.00 0.00 H new ATOM 0 HD12 LEU A 94 23.393 4.387 -3.474 1.00 0.00 H new ATOM 0 HD13 LEU A 94 22.957 3.388 -2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 94 22.818 5.769 -0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 94 23.640 4.238 0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 94 24.526 5.777 0.405 1.00 0.00 H new ATOM 1504 N ALA A 95 27.609 2.003 -0.798 1.00 0.00 N ATOM 1505 CA ALA A 95 28.895 1.337 -0.933 1.00 0.00 C ATOM 1506 C ALA A 95 28.689 -0.163 -1.132 1.00 0.00 C ATOM 1507 O ALA A 95 29.152 -0.741 -2.121 1.00 0.00 O ATOM 1508 CB ALA A 95 29.765 1.604 0.293 1.00 0.00 C ATOM 0 H ALA A 95 27.404 2.335 0.144 1.00 0.00 H new ATOM 0 HA ALA A 95 29.408 1.736 -1.808 1.00 0.00 H new ATOM 0 HB1 ALA A 95 30.724 1.099 0.176 1.00 0.00 H new ATOM 0 HB2 ALA A 95 29.930 2.677 0.395 1.00 0.00 H new ATOM 0 HB3 ALA A 95 29.263 1.228 1.184 1.00 0.00 H new ATOM 1514 N GLU A 96 27.986 -0.781 -0.187 1.00 0.00 N ATOM 1515 CA GLU A 96 27.688 -2.210 -0.236 1.00 0.00 C ATOM 1516 C GLU A 96 26.265 -2.463 0.275 1.00 0.00 C ATOM 1517 O GLU A 96 26.028 -2.521 1.483 1.00 0.00 O ATOM 1518 CB GLU A 96 28.717 -3.004 0.592 1.00 0.00 C ATOM 1519 CG GLU A 96 30.143 -2.915 0.049 1.00 0.00 C ATOM 1520 CD GLU A 96 31.155 -3.662 0.900 1.00 0.00 C ATOM 1521 OE1 GLU A 96 31.267 -4.897 0.754 1.00 0.00 O ATOM 1522 OE2 GLU A 96 31.853 -3.017 1.712 1.00 0.00 O ATOM 0 H GLU A 96 27.607 -0.307 0.633 1.00 0.00 H new ATOM 0 HA GLU A 96 27.753 -2.551 -1.269 1.00 0.00 H new ATOM 0 HB2 GLU A 96 28.705 -2.637 1.618 1.00 0.00 H new ATOM 0 HB3 GLU A 96 28.415 -4.051 0.624 1.00 0.00 H new ATOM 0 HG2 GLU A 96 30.164 -3.315 -0.965 1.00 0.00 H new ATOM 0 HG3 GLU A 96 30.435 -1.867 -0.016 1.00 0.00 H new ATOM 1529 N PRO A 97 25.292 -2.579 -0.649 1.00 0.00 N ATOM 1530 CA PRO A 97 23.878 -2.800 -0.304 1.00 0.00 C ATOM 1531 C PRO A 97 23.597 -4.233 0.157 1.00 0.00 C ATOM 1532 O PRO A 97 24.523 -4.998 0.440 1.00 0.00 O ATOM 1533 CB PRO A 97 23.154 -2.493 -1.618 1.00 0.00 C ATOM 1534 CG PRO A 97 24.144 -2.852 -2.672 1.00 0.00 C ATOM 1535 CD PRO A 97 25.493 -2.491 -2.110 1.00 0.00 C ATOM 0 HA PRO A 97 23.556 -2.181 0.533 1.00 0.00 H new ATOM 0 HB2 PRO A 97 22.239 -3.078 -1.715 1.00 0.00 H new ATOM 0 HB3 PRO A 97 22.869 -1.443 -1.680 1.00 0.00 H new ATOM 0 HG2 PRO A 97 24.092 -3.914 -2.911 1.00 0.00 H new ATOM 0 HG3 PRO A 97 23.947 -2.307 -3.595 1.00 0.00 H new ATOM 0 HD2 PRO A 97 26.267 -3.179 -2.451 1.00 0.00 H new ATOM 0 HD3 PRO A 97 25.800 -1.490 -2.414 1.00 0.00 H new ATOM 1543 N ARG A 98 22.312 -4.593 0.219 1.00 0.00 N ATOM 1544 CA ARG A 98 21.899 -5.885 0.762 1.00 0.00 C ATOM 1545 C ARG A 98 20.452 -6.195 0.382 1.00 0.00 C ATOM 1546 O ARG A 98 19.668 -5.279 0.121 1.00 0.00 O ATOM 1547 CB ARG A 98 22.045 -5.863 2.290 1.00 0.00 C ATOM 1548 CG ARG A 98 21.075 -4.907 2.987 1.00 0.00 C ATOM 1549 CD ARG A 98 21.485 -4.639 4.429 1.00 0.00 C ATOM 1550 NE ARG A 98 22.825 -4.054 4.511 1.00 0.00 N ATOM 1551 CZ ARG A 98 23.216 -3.194 5.452 1.00 0.00 C ATOM 1552 NH1 ARG A 98 22.375 -2.814 6.408 1.00 0.00 N ATOM 1553 NH2 ARG A 98 24.454 -2.724 5.435 1.00 0.00 N ATOM 0 H ARG A 98 21.541 -4.006 -0.101 1.00 0.00 H new ATOM 0 HA ARG A 98 22.536 -6.664 0.342 1.00 0.00 H new ATOM 0 HB2 ARG A 98 21.888 -6.870 2.676 1.00 0.00 H new ATOM 0 HB3 ARG A 98 23.066 -5.580 2.544 1.00 0.00 H new ATOM 0 HG2 ARG A 98 21.036 -3.966 2.439 1.00 0.00 H new ATOM 0 HG3 ARG A 98 20.070 -5.330 2.967 1.00 0.00 H new ATOM 0 HD2 ARG A 98 20.765 -3.965 4.893 1.00 0.00 H new ATOM 0 HD3 ARG A 98 21.459 -5.571 4.994 1.00 0.00 H new ATOM 0 HE ARG A 98 23.505 -4.323 3.800 1.00 0.00 H new ATOM 0 HH11 ARG A 98 21.423 -3.181 6.425 1.00 0.00 H new ATOM 0 HH12 ARG A 98 22.681 -2.156 7.125 1.00 0.00 H new ATOM 0 HH21 ARG A 98 25.102 -3.020 4.705 1.00 0.00 H new ATOM 0 HH22 ARG A 98 24.760 -2.066 6.152 1.00 0.00 H new ATOM 1567 N PRO A 99 20.080 -7.490 0.358 1.00 0.00 N ATOM 1568 CA PRO A 99 18.711 -7.917 0.038 1.00 0.00 C ATOM 1569 C PRO A 99 17.724 -7.582 1.154 1.00 0.00 C ATOM 1570 O PRO A 99 16.511 -7.586 0.943 1.00 0.00 O ATOM 1571 CB PRO A 99 18.843 -9.435 -0.121 1.00 0.00 C ATOM 1572 CG PRO A 99 20.004 -9.800 0.737 1.00 0.00 C ATOM 1573 CD PRO A 99 20.965 -8.646 0.631 1.00 0.00 C ATOM 0 HA PRO A 99 18.322 -7.413 -0.847 1.00 0.00 H new ATOM 0 HB2 PRO A 99 17.936 -9.948 0.199 1.00 0.00 H new ATOM 0 HB3 PRO A 99 19.016 -9.712 -1.161 1.00 0.00 H new ATOM 0 HG2 PRO A 99 19.694 -9.958 1.770 1.00 0.00 H new ATOM 0 HG3 PRO A 99 20.466 -10.727 0.398 1.00 0.00 H new ATOM 0 HD2 PRO A 99 21.533 -8.509 1.551 1.00 0.00 H new ATOM 0 HD3 PRO A 99 21.688 -8.797 -0.170 1.00 0.00 H new ATOM 1581 N ASP A 100 18.257 -7.309 2.347 1.00 0.00 N ATOM 1582 CA ASP A 100 17.435 -6.941 3.499 1.00 0.00 C ATOM 1583 C ASP A 100 16.580 -5.726 3.172 1.00 0.00 C ATOM 1584 O ASP A 100 15.450 -5.608 3.650 1.00 0.00 O ATOM 1585 CB ASP A 100 18.309 -6.661 4.727 1.00 0.00 C ATOM 1586 CG ASP A 100 19.107 -7.879 5.153 1.00 0.00 C ATOM 1587 OD1 ASP A 100 18.585 -8.690 5.949 1.00 0.00 O ATOM 1588 OD2 ASP A 100 20.251 -8.041 4.677 1.00 0.00 O ATOM 0 H ASP A 100 19.258 -7.336 2.540 1.00 0.00 H new ATOM 0 HA ASP A 100 16.779 -7.780 3.731 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.992 -5.841 4.505 1.00 0.00 H new ATOM 0 HB3 ASP A 100 17.677 -6.335 5.554 1.00 0.00 H new ATOM 1593 N MET A 101 17.142 -4.826 2.355 1.00 0.00 N ATOM 1594 CA MET A 101 16.394 -3.693 1.808 1.00 0.00 C ATOM 1595 C MET A 101 15.933 -2.720 2.908 1.00 0.00 C ATOM 1596 O MET A 101 15.991 -3.034 4.099 1.00 0.00 O ATOM 1597 CB MET A 101 15.233 -4.246 0.939 1.00 0.00 C ATOM 1598 CG MET A 101 13.974 -3.392 0.850 1.00 0.00 C ATOM 1599 SD MET A 101 12.901 -3.613 2.280 1.00 0.00 S ATOM 1600 CE MET A 101 11.350 -2.964 1.663 1.00 0.00 C ATOM 0 H MET A 101 18.117 -4.864 2.059 1.00 0.00 H new ATOM 0 HA MET A 101 17.042 -3.092 1.170 1.00 0.00 H new ATOM 0 HB2 MET A 101 15.610 -4.402 -0.072 1.00 0.00 H new ATOM 0 HB3 MET A 101 14.953 -5.224 1.329 1.00 0.00 H new ATOM 0 HG2 MET A 101 14.254 -2.342 0.767 1.00 0.00 H new ATOM 0 HG3 MET A 101 13.426 -3.649 -0.057 1.00 0.00 H new ATOM 0 HE1 MET A 101 10.522 -3.425 2.202 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.323 -1.884 1.811 1.00 0.00 H new ATOM 0 HE3 MET A 101 11.260 -3.187 0.600 1.00 0.00 H new ATOM 1610 N PHE A 102 15.551 -1.507 2.497 1.00 0.00 N ATOM 1611 CA PHE A 102 15.061 -0.466 3.418 1.00 0.00 C ATOM 1612 C PHE A 102 13.701 -0.858 4.017 1.00 0.00 C ATOM 1613 O PHE A 102 12.703 -0.157 3.833 1.00 0.00 O ATOM 1614 CB PHE A 102 14.930 0.878 2.680 1.00 0.00 C ATOM 1615 CG PHE A 102 16.158 1.274 1.899 1.00 0.00 C ATOM 1616 CD1 PHE A 102 17.286 1.757 2.546 1.00 0.00 C ATOM 1617 CD2 PHE A 102 16.181 1.164 0.514 1.00 0.00 C ATOM 1618 CE1 PHE A 102 18.409 2.121 1.828 1.00 0.00 C ATOM 1619 CE2 PHE A 102 17.302 1.528 -0.206 1.00 0.00 C ATOM 1620 CZ PHE A 102 18.416 2.007 0.452 1.00 0.00 C ATOM 0 H PHE A 102 15.571 -1.215 1.520 1.00 0.00 H new ATOM 0 HA PHE A 102 15.784 -0.366 4.228 1.00 0.00 H new ATOM 0 HB2 PHE A 102 14.081 0.825 1.999 1.00 0.00 H new ATOM 0 HB3 PHE A 102 14.707 1.659 3.407 1.00 0.00 H new ATOM 0 HD1 PHE A 102 17.286 1.849 3.622 1.00 0.00 H new ATOM 0 HD2 PHE A 102 15.312 0.789 -0.006 1.00 0.00 H new ATOM 0 HE1 PHE A 102 19.282 2.495 2.343 1.00 0.00 H new ATOM 0 HE2 PHE A 102 17.307 1.438 -1.282 1.00 0.00 H new ATOM 0 HZ PHE A 102 19.293 2.293 -0.109 1.00 0.00 H new ATOM 1630 N ARG A 103 13.676 -1.968 4.743 1.00 0.00 N ATOM 1631 CA ARG A 103 12.435 -2.554 5.249 1.00 0.00 C ATOM 1632 C ARG A 103 11.805 -1.700 6.350 1.00 0.00 C ATOM 1633 O ARG A 103 10.589 -1.497 6.368 1.00 0.00 O ATOM 1634 CB ARG A 103 12.707 -3.984 5.744 1.00 0.00 C ATOM 1635 CG ARG A 103 13.836 -4.087 6.770 1.00 0.00 C ATOM 1636 CD ARG A 103 14.274 -5.532 6.983 1.00 0.00 C ATOM 1637 NE ARG A 103 13.158 -6.388 7.393 1.00 0.00 N ATOM 1638 CZ ARG A 103 12.923 -7.604 6.898 1.00 0.00 C ATOM 1639 NH1 ARG A 103 13.725 -8.119 5.971 1.00 0.00 N ATOM 1640 NH2 ARG A 103 11.881 -8.297 7.330 1.00 0.00 N ATOM 0 H ARG A 103 14.514 -2.490 4.999 1.00 0.00 H new ATOM 0 HA ARG A 103 11.715 -2.588 4.432 1.00 0.00 H new ATOM 0 HB2 ARG A 103 11.794 -4.384 6.184 1.00 0.00 H new ATOM 0 HB3 ARG A 103 12.951 -4.613 4.888 1.00 0.00 H new ATOM 0 HG2 ARG A 103 14.687 -3.494 6.435 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.506 -3.663 7.718 1.00 0.00 H new ATOM 0 HD2 ARG A 103 14.708 -5.919 6.061 1.00 0.00 H new ATOM 0 HD3 ARG A 103 15.055 -5.566 7.742 1.00 0.00 H new ATOM 0 HE ARG A 103 12.519 -6.031 8.103 1.00 0.00 H new ATOM 0 HH11 ARG A 103 14.525 -7.584 5.634 1.00 0.00 H new ATOM 0 HH12 ARG A 103 13.540 -9.050 5.596 1.00 0.00 H new ATOM 0 HH21 ARG A 103 11.263 -7.900 8.038 1.00 0.00 H new ATOM 0 HH22 ARG A 103 11.696 -9.227 6.955 1.00 0.00 H new ATOM 1654 N ALA A 104 12.634 -1.184 7.253 1.00 0.00 N ATOM 1655 CA ALA A 104 12.146 -0.376 8.369 1.00 0.00 C ATOM 1656 C ALA A 104 11.563 0.943 7.865 1.00 0.00 C ATOM 1657 O ALA A 104 10.581 1.454 8.404 1.00 0.00 O ATOM 1658 CB ALA A 104 13.271 -0.117 9.367 1.00 0.00 C ATOM 0 H ALA A 104 13.646 -1.310 7.235 1.00 0.00 H new ATOM 0 HA ALA A 104 11.353 -0.928 8.874 1.00 0.00 H new ATOM 0 HB1 ALA A 104 12.893 0.486 10.193 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.642 -1.067 9.751 1.00 0.00 H new ATOM 0 HB3 ALA A 104 14.082 0.415 8.871 1.00 0.00 H new ATOM 1664 N GLN A 105 12.175 1.473 6.813 1.00 0.00 N ATOM 1665 CA GLN A 105 11.774 2.752 6.239 1.00 0.00 C ATOM 1666 C GLN A 105 10.547 2.578 5.346 1.00 0.00 C ATOM 1667 O GLN A 105 9.645 3.418 5.338 1.00 0.00 O ATOM 1668 CB GLN A 105 12.936 3.365 5.443 1.00 0.00 C ATOM 1669 CG GLN A 105 14.140 3.746 6.304 1.00 0.00 C ATOM 1670 CD GLN A 105 14.836 2.554 6.947 1.00 0.00 C ATOM 1671 OE1 GLN A 105 14.870 1.456 6.387 1.00 0.00 O ATOM 1672 NE2 GLN A 105 15.377 2.757 8.140 1.00 0.00 N ATOM 0 H GLN A 105 12.960 1.031 6.335 1.00 0.00 H new ATOM 0 HA GLN A 105 11.513 3.430 7.051 1.00 0.00 H new ATOM 0 HB2 GLN A 105 13.256 2.655 4.681 1.00 0.00 H new ATOM 0 HB3 GLN A 105 12.578 4.253 4.922 1.00 0.00 H new ATOM 0 HG2 GLN A 105 14.859 4.286 5.688 1.00 0.00 H new ATOM 0 HG3 GLN A 105 13.813 4.430 7.087 1.00 0.00 H new ATOM 0 HE21 GLN A 105 15.329 3.680 8.571 1.00 0.00 H new ATOM 0 HE22 GLN A 105 15.842 1.990 8.626 1.00 0.00 H new ATOM 1681 N GLN A 106 10.525 1.475 4.602 1.00 0.00 N ATOM 1682 CA GLN A 106 9.399 1.144 3.737 1.00 0.00 C ATOM 1683 C GLN A 106 8.118 1.027 4.557 1.00 0.00 C ATOM 1684 O GLN A 106 7.101 1.655 4.243 1.00 0.00 O ATOM 1685 CB GLN A 106 9.690 -0.166 2.975 1.00 0.00 C ATOM 1686 CG GLN A 106 8.517 -0.716 2.156 1.00 0.00 C ATOM 1687 CD GLN A 106 7.737 -1.814 2.875 1.00 0.00 C ATOM 1688 OE1 GLN A 106 7.672 -1.856 4.098 1.00 0.00 O ATOM 1689 NE2 GLN A 106 7.136 -2.711 2.116 1.00 0.00 N ATOM 0 H GLN A 106 11.282 0.791 4.582 1.00 0.00 H new ATOM 0 HA GLN A 106 9.260 1.943 3.008 1.00 0.00 H new ATOM 0 HB2 GLN A 106 10.534 0.001 2.305 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.999 -0.925 3.694 1.00 0.00 H new ATOM 0 HG2 GLN A 106 7.838 0.102 1.913 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.895 -1.108 1.212 1.00 0.00 H new ATOM 0 HE21 GLN A 106 7.208 -2.650 1.100 1.00 0.00 H new ATOM 0 HE22 GLN A 106 6.600 -3.465 2.545 1.00 0.00 H new ATOM 1698 N LEU A 107 8.181 0.241 5.626 1.00 0.00 N ATOM 1699 CA LEU A 107 7.016 0.006 6.464 1.00 0.00 C ATOM 1700 C LEU A 107 6.682 1.258 7.271 1.00 0.00 C ATOM 1701 O LEU A 107 5.543 1.445 7.698 1.00 0.00 O ATOM 1702 CB LEU A 107 7.246 -1.192 7.395 1.00 0.00 C ATOM 1703 CG LEU A 107 5.963 -1.808 7.977 1.00 0.00 C ATOM 1704 CD1 LEU A 107 5.140 -2.487 6.882 1.00 0.00 C ATOM 1705 CD2 LEU A 107 6.287 -2.789 9.102 1.00 0.00 C ATOM 0 H LEU A 107 9.026 -0.243 5.931 1.00 0.00 H new ATOM 0 HA LEU A 107 6.170 -0.226 5.818 1.00 0.00 H new ATOM 0 HB2 LEU A 107 7.787 -1.963 6.846 1.00 0.00 H new ATOM 0 HB3 LEU A 107 7.888 -0.877 8.218 1.00 0.00 H new ATOM 0 HG LEU A 107 5.365 -1.000 8.399 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.237 -2.915 7.318 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.864 -1.752 6.126 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.731 -3.278 6.421 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.362 -3.210 9.496 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.915 -3.592 8.715 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.816 -2.267 9.899 1.00 0.00 H new ATOM 1717 N GLN A 108 7.681 2.117 7.477 1.00 0.00 N ATOM 1718 CA GLN A 108 7.460 3.394 8.146 1.00 0.00 C ATOM 1719 C GLN A 108 6.501 4.247 7.322 1.00 0.00 C ATOM 1720 O GLN A 108 5.505 4.746 7.839 1.00 0.00 O ATOM 1721 CB GLN A 108 8.783 4.147 8.357 1.00 0.00 C ATOM 1722 CG GLN A 108 8.632 5.486 9.091 1.00 0.00 C ATOM 1723 CD GLN A 108 8.505 5.362 10.611 1.00 0.00 C ATOM 1724 OE1 GLN A 108 8.892 6.273 11.347 1.00 0.00 O ATOM 1725 NE2 GLN A 108 7.976 4.248 11.101 1.00 0.00 N ATOM 0 H GLN A 108 8.646 1.951 7.191 1.00 0.00 H new ATOM 0 HA GLN A 108 7.024 3.197 9.125 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.465 3.511 8.921 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.245 4.327 7.386 1.00 0.00 H new ATOM 0 HG2 GLN A 108 9.494 6.112 8.860 1.00 0.00 H new ATOM 0 HG3 GLN A 108 7.752 6.001 8.706 1.00 0.00 H new ATOM 0 HE21 GLN A 108 7.664 3.511 10.469 1.00 0.00 H new ATOM 0 HE22 GLN A 108 7.881 4.129 12.110 1.00 0.00 H new ATOM 1734 N ILE A 109 6.806 4.387 6.032 1.00 0.00 N ATOM 1735 CA ILE A 109 5.958 5.147 5.116 1.00 0.00 C ATOM 1736 C ILE A 109 4.567 4.515 5.022 1.00 0.00 C ATOM 1737 O ILE A 109 3.553 5.220 5.048 1.00 0.00 O ATOM 1738 CB ILE A 109 6.592 5.250 3.700 1.00 0.00 C ATOM 1739 CG1 ILE A 109 7.846 6.143 3.730 1.00 0.00 C ATOM 1740 CG2 ILE A 109 5.581 5.774 2.678 1.00 0.00 C ATOM 1741 CD1 ILE A 109 7.597 7.535 4.277 1.00 0.00 C ATOM 0 H ILE A 109 7.636 3.983 5.598 1.00 0.00 H new ATOM 0 HA ILE A 109 5.866 6.156 5.518 1.00 0.00 H new ATOM 0 HB ILE A 109 6.890 4.247 3.393 1.00 0.00 H new ATOM 0 HG12 ILE A 109 8.611 5.657 4.335 1.00 0.00 H new ATOM 0 HG13 ILE A 109 8.245 6.227 2.719 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.053 5.835 1.698 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.729 5.096 2.629 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.240 6.765 2.979 1.00 0.00 H new ATOM 0 HD11 ILE A 109 8.528 8.102 4.266 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.856 8.042 3.659 1.00 0.00 H new ATOM 0 HD13 ILE A 109 7.228 7.463 5.300 1.00 0.00 H new ATOM 1753 N PHE A 110 4.531 3.185 4.926 1.00 0.00 N ATOM 1754 CA PHE A 110 3.269 2.447 4.892 1.00 0.00 C ATOM 1755 C PHE A 110 2.421 2.808 6.112 1.00 0.00 C ATOM 1756 O PHE A 110 1.287 3.274 5.983 1.00 0.00 O ATOM 1757 CB PHE A 110 3.537 0.931 4.864 1.00 0.00 C ATOM 1758 CG PHE A 110 2.293 0.080 4.710 1.00 0.00 C ATOM 1759 CD1 PHE A 110 1.516 -0.269 5.812 1.00 0.00 C ATOM 1760 CD2 PHE A 110 1.905 -0.376 3.457 1.00 0.00 C ATOM 1761 CE1 PHE A 110 0.386 -1.047 5.661 1.00 0.00 C ATOM 1762 CE2 PHE A 110 0.774 -1.154 3.305 1.00 0.00 C ATOM 1763 CZ PHE A 110 0.013 -1.490 4.408 1.00 0.00 C ATOM 0 H PHE A 110 5.363 2.597 4.870 1.00 0.00 H new ATOM 0 HA PHE A 110 2.726 2.722 3.988 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.218 0.710 4.042 1.00 0.00 H new ATOM 0 HB3 PHE A 110 4.046 0.647 5.785 1.00 0.00 H new ATOM 0 HD1 PHE A 110 1.801 0.073 6.796 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.495 -0.119 2.590 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -0.207 -1.310 6.524 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.484 -1.500 2.324 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.872 -2.098 4.290 1.00 0.00 H new ATOM 1773 N ASN A 111 3.003 2.616 7.293 1.00 0.00 N ATOM 1774 CA ASN A 111 2.313 2.871 8.556 1.00 0.00 C ATOM 1775 C ASN A 111 2.044 4.359 8.750 1.00 0.00 C ATOM 1776 O ASN A 111 1.121 4.737 9.467 1.00 0.00 O ATOM 1777 CB ASN A 111 3.130 2.323 9.738 1.00 0.00 C ATOM 1778 CG ASN A 111 3.138 0.803 9.791 1.00 0.00 C ATOM 1779 OD1 ASN A 111 2.167 0.149 9.407 1.00 0.00 O ATOM 1780 ND2 ASN A 111 4.232 0.229 10.268 1.00 0.00 N ATOM 0 H ASN A 111 3.960 2.281 7.402 1.00 0.00 H new ATOM 0 HA ASN A 111 1.354 2.355 8.519 1.00 0.00 H new ATOM 0 HB2 ASN A 111 4.155 2.685 9.665 1.00 0.00 H new ATOM 0 HB3 ASN A 111 2.720 2.713 10.670 1.00 0.00 H new ATOM 0 HD21 ASN A 111 4.290 -0.788 10.327 1.00 0.00 H new ATOM 0 HD22 ASN A 111 5.016 0.804 10.577 1.00 0.00 H new ATOM 1787 N LEU A 112 2.847 5.198 8.103 1.00 0.00 N ATOM 1788 CA LEU A 112 2.695 6.647 8.211 1.00 0.00 C ATOM 1789 C LEU A 112 1.398 7.105 7.546 1.00 0.00 C ATOM 1790 O LEU A 112 0.630 7.873 8.125 1.00 0.00 O ATOM 1791 CB LEU A 112 3.896 7.362 7.572 1.00 0.00 C ATOM 1792 CG LEU A 112 3.893 8.897 7.684 1.00 0.00 C ATOM 1793 CD1 LEU A 112 3.936 9.336 9.146 1.00 0.00 C ATOM 1794 CD2 LEU A 112 5.062 9.495 6.904 1.00 0.00 C ATOM 0 H LEU A 112 3.611 4.900 7.497 1.00 0.00 H new ATOM 0 HA LEU A 112 2.653 6.906 9.269 1.00 0.00 H new ATOM 0 HB2 LEU A 112 4.808 6.984 8.033 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.937 7.093 6.517 1.00 0.00 H new ATOM 0 HG LEU A 112 2.965 9.268 7.248 1.00 0.00 H new ATOM 0 HD11 LEU A 112 3.933 10.425 9.199 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.063 8.945 9.669 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.842 8.952 9.615 1.00 0.00 H new ATOM 0 HD21 LEU A 112 5.043 10.581 6.995 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.001 9.114 7.306 1.00 0.00 H new ATOM 0 HD23 LEU A 112 4.978 9.218 5.853 1.00 0.00 H new ATOM 1806 N MET A 113 1.154 6.616 6.333 1.00 0.00 N ATOM 1807 CA MET A 113 -0.034 7.010 5.573 1.00 0.00 C ATOM 1808 C MET A 113 -1.211 6.097 5.902 1.00 0.00 C ATOM 1809 O MET A 113 -2.357 6.405 5.567 1.00 0.00 O ATOM 1810 CB MET A 113 0.246 6.969 4.065 1.00 0.00 C ATOM 1811 CG MET A 113 1.533 7.676 3.656 1.00 0.00 C ATOM 1812 SD MET A 113 1.583 9.402 4.186 1.00 0.00 S ATOM 1813 CE MET A 113 3.220 9.884 3.635 1.00 0.00 C ATOM 0 H MET A 113 1.759 5.949 5.855 1.00 0.00 H new ATOM 0 HA MET A 113 -0.288 8.031 5.856 1.00 0.00 H new ATOM 0 HB2 MET A 113 0.296 5.929 3.743 1.00 0.00 H new ATOM 0 HB3 MET A 113 -0.591 7.426 3.537 1.00 0.00 H new ATOM 0 HG2 MET A 113 2.385 7.145 4.082 1.00 0.00 H new ATOM 0 HG3 MET A 113 1.638 7.630 2.572 1.00 0.00 H new ATOM 0 HE1 MET A 113 3.584 10.706 4.252 1.00 0.00 H new ATOM 0 HE2 MET A 113 3.898 9.035 3.724 1.00 0.00 H new ATOM 0 HE3 MET A 113 3.174 10.205 2.594 1.00 0.00 H new ATOM 1823 N LYS A 114 -0.913 4.985 6.574 1.00 0.00 N ATOM 1824 CA LYS A 114 -1.901 3.948 6.889 1.00 0.00 C ATOM 1825 C LYS A 114 -3.116 4.524 7.624 1.00 0.00 C ATOM 1826 O LYS A 114 -4.236 4.048 7.453 1.00 0.00 O ATOM 1827 CB LYS A 114 -1.237 2.849 7.732 1.00 0.00 C ATOM 1828 CG LYS A 114 -2.060 1.570 7.878 1.00 0.00 C ATOM 1829 CD LYS A 114 -1.278 0.484 8.622 1.00 0.00 C ATOM 1830 CE LYS A 114 -1.014 0.862 10.076 1.00 0.00 C ATOM 1831 NZ LYS A 114 -0.187 -0.156 10.779 1.00 0.00 N ATOM 0 H LYS A 114 0.024 4.775 6.918 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.262 3.525 5.952 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.276 2.597 7.284 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -1.031 3.247 8.725 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.983 1.789 8.415 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.345 1.204 6.891 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -1.835 -0.452 8.587 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.329 0.309 8.115 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -0.509 1.827 10.113 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -1.964 0.979 10.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 0.010 0.166 11.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -0.702 -1.059 10.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 0.710 -0.287 10.269 1.00 0.00 H new ATOM 1845 N PHE A 115 -2.890 5.548 8.444 1.00 0.00 N ATOM 1846 CA PHE A 115 -3.973 6.216 9.173 1.00 0.00 C ATOM 1847 C PHE A 115 -3.925 7.724 8.903 1.00 0.00 C ATOM 1848 O PHE A 115 -4.410 8.535 9.693 1.00 0.00 O ATOM 1849 CB PHE A 115 -3.856 5.911 10.681 1.00 0.00 C ATOM 1850 CG PHE A 115 -5.037 6.371 11.507 1.00 0.00 C ATOM 1851 CD1 PHE A 115 -6.295 5.816 11.310 1.00 0.00 C ATOM 1852 CD2 PHE A 115 -4.889 7.351 12.481 1.00 0.00 C ATOM 1853 CE1 PHE A 115 -7.377 6.232 12.064 1.00 0.00 C ATOM 1854 CE2 PHE A 115 -5.969 7.768 13.236 1.00 0.00 C ATOM 1855 CZ PHE A 115 -7.213 7.208 13.027 1.00 0.00 C ATOM 0 H PHE A 115 -1.964 5.937 8.623 1.00 0.00 H new ATOM 0 HA PHE A 115 -4.936 5.840 8.827 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -3.733 4.836 10.813 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -2.953 6.385 11.066 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -6.430 5.051 10.560 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -3.918 7.792 12.650 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -8.350 5.794 11.900 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -5.840 8.531 13.989 1.00 0.00 H new ATOM 0 HZ PHE A 115 -8.058 7.533 13.616 1.00 0.00 H new ATOM 1865 N ASP A 116 -3.361 8.087 7.755 1.00 0.00 N ATOM 1866 CA ASP A 116 -3.220 9.490 7.363 1.00 0.00 C ATOM 1867 C ASP A 116 -3.804 9.709 5.968 1.00 0.00 C ATOM 1868 O ASP A 116 -4.984 10.031 5.826 1.00 0.00 O ATOM 1869 CB ASP A 116 -1.741 9.912 7.405 1.00 0.00 C ATOM 1870 CG ASP A 116 -1.520 11.366 7.003 1.00 0.00 C ATOM 1871 OD1 ASP A 116 -1.352 11.638 5.793 1.00 0.00 O ATOM 1872 OD2 ASP A 116 -1.501 12.240 7.894 1.00 0.00 O ATOM 0 H ASP A 116 -2.991 7.425 7.073 1.00 0.00 H new ATOM 0 HA ASP A 116 -3.772 10.109 8.070 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -1.354 9.757 8.412 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.167 9.267 6.740 1.00 0.00 H new ATOM 1877 N SER A 117 -2.986 9.490 4.940 1.00 0.00 N ATOM 1878 CA SER A 117 -3.419 9.664 3.561 1.00 0.00 C ATOM 1879 C SER A 117 -4.491 8.634 3.206 1.00 0.00 C ATOM 1880 O SER A 117 -5.435 8.930 2.474 1.00 0.00 O ATOM 1881 CB SER A 117 -2.216 9.544 2.621 1.00 0.00 C ATOM 1882 OG SER A 117 -1.163 10.398 3.042 1.00 0.00 O ATOM 0 H SER A 117 -2.016 9.191 5.040 1.00 0.00 H new ATOM 0 HA SER A 117 -3.854 10.657 3.446 1.00 0.00 H new ATOM 0 HB2 SER A 117 -1.867 8.512 2.599 1.00 0.00 H new ATOM 0 HB3 SER A 117 -2.515 9.801 1.605 1.00 0.00 H new ATOM 0 HG SER A 117 -0.405 9.857 3.346 1.00 0.00 H new ATOM 1888 N TYR A 118 -4.339 7.424 3.740 1.00 0.00 N ATOM 1889 CA TYR A 118 -5.350 6.379 3.591 1.00 0.00 C ATOM 1890 C TYR A 118 -6.690 6.848 4.156 1.00 0.00 C ATOM 1891 O TYR A 118 -7.721 6.776 3.482 1.00 0.00 O ATOM 1892 CB TYR A 118 -4.889 5.100 4.300 1.00 0.00 C ATOM 1893 CG TYR A 118 -5.963 4.031 4.423 1.00 0.00 C ATOM 1894 CD1 TYR A 118 -6.364 3.284 3.322 1.00 0.00 C ATOM 1895 CD2 TYR A 118 -6.571 3.770 5.647 1.00 0.00 C ATOM 1896 CE1 TYR A 118 -7.338 2.312 3.438 1.00 0.00 C ATOM 1897 CE2 TYR A 118 -7.543 2.800 5.769 1.00 0.00 C ATOM 1898 CZ TYR A 118 -7.922 2.073 4.664 1.00 0.00 C ATOM 1899 OH TYR A 118 -8.893 1.106 4.787 1.00 0.00 O ATOM 0 H TYR A 118 -3.522 7.142 4.282 1.00 0.00 H new ATOM 0 HA TYR A 118 -5.481 6.166 2.530 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -4.039 4.684 3.758 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -4.535 5.359 5.298 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -5.907 3.466 2.361 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -6.276 4.338 6.517 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -7.641 1.742 2.572 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -8.005 2.612 6.727 1.00 0.00 H new ATOM 0 HH TYR A 118 -8.916 0.560 3.974 1.00 0.00 H new ATOM 1909 N ALA A 119 -6.660 7.343 5.394 1.00 0.00 N ATOM 1910 CA ALA A 119 -7.867 7.826 6.064 1.00 0.00 C ATOM 1911 C ALA A 119 -8.488 8.987 5.288 1.00 0.00 C ATOM 1912 O ALA A 119 -9.706 9.167 5.282 1.00 0.00 O ATOM 1913 CB ALA A 119 -7.544 8.245 7.496 1.00 0.00 C ATOM 0 H ALA A 119 -5.811 7.420 5.954 1.00 0.00 H new ATOM 0 HA ALA A 119 -8.594 7.014 6.096 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -8.451 8.603 7.984 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -7.150 7.390 8.045 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -6.801 9.042 7.483 1.00 0.00 H new ATOM 1919 N ARG A 120 -7.634 9.762 4.631 1.00 0.00 N ATOM 1920 CA ARG A 120 -8.070 10.887 3.813 1.00 0.00 C ATOM 1921 C ARG A 120 -8.800 10.382 2.564 1.00 0.00 C ATOM 1922 O ARG A 120 -9.894 10.847 2.232 1.00 0.00 O ATOM 1923 CB ARG A 120 -6.845 11.725 3.410 1.00 0.00 C ATOM 1924 CG ARG A 120 -7.170 13.066 2.757 1.00 0.00 C ATOM 1925 CD ARG A 120 -7.826 14.031 3.739 1.00 0.00 C ATOM 1926 NE ARG A 120 -7.842 15.402 3.225 1.00 0.00 N ATOM 1927 CZ ARG A 120 -8.061 16.482 3.975 1.00 0.00 C ATOM 1928 NH1 ARG A 120 -8.366 16.358 5.259 1.00 0.00 N ATOM 1929 NH2 ARG A 120 -7.984 17.689 3.434 1.00 0.00 N ATOM 0 H ARG A 120 -6.623 9.629 4.650 1.00 0.00 H new ATOM 0 HA ARG A 120 -8.759 11.506 4.387 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -6.240 11.907 4.298 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -6.234 11.141 2.722 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -6.255 13.511 2.367 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -7.834 12.905 1.908 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.847 13.706 3.941 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.290 14.005 4.688 1.00 0.00 H new ATOM 0 HE ARG A 120 -7.675 15.540 2.228 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -8.435 15.431 5.680 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -8.532 17.189 5.826 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -7.757 17.791 2.445 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -8.151 18.516 4.007 1.00 0.00 H new ATOM 1943 N PHE A 121 -8.190 9.405 1.897 1.00 0.00 N ATOM 1944 CA PHE A 121 -8.708 8.882 0.636 1.00 0.00 C ATOM 1945 C PHE A 121 -10.063 8.201 0.824 1.00 0.00 C ATOM 1946 O PHE A 121 -10.993 8.436 0.057 1.00 0.00 O ATOM 1947 CB PHE A 121 -7.707 7.901 0.013 1.00 0.00 C ATOM 1948 CG PHE A 121 -8.197 7.283 -1.273 1.00 0.00 C ATOM 1949 CD1 PHE A 121 -8.323 8.051 -2.421 1.00 0.00 C ATOM 1950 CD2 PHE A 121 -8.539 5.938 -1.334 1.00 0.00 C ATOM 1951 CE1 PHE A 121 -8.781 7.495 -3.599 1.00 0.00 C ATOM 1952 CE2 PHE A 121 -8.994 5.377 -2.510 1.00 0.00 C ATOM 1953 CZ PHE A 121 -9.116 6.157 -3.644 1.00 0.00 C ATOM 0 H PHE A 121 -7.330 8.957 2.212 1.00 0.00 H new ATOM 0 HA PHE A 121 -8.848 9.727 -0.038 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -6.769 8.422 -0.177 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.492 7.108 0.730 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.059 9.098 -2.393 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -8.448 5.324 -0.450 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.877 8.106 -4.484 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -9.254 4.329 -2.544 1.00 0.00 H new ATOM 0 HZ PHE A 121 -9.473 5.720 -4.565 1.00 0.00 H new ATOM 1963 N VAL A 122 -10.179 7.369 1.850 1.00 0.00 N ATOM 1964 CA VAL A 122 -11.416 6.620 2.082 1.00 0.00 C ATOM 1965 C VAL A 122 -12.575 7.555 2.443 1.00 0.00 C ATOM 1966 O VAL A 122 -13.736 7.145 2.441 1.00 0.00 O ATOM 1967 CB VAL A 122 -11.249 5.550 3.190 1.00 0.00 C ATOM 1968 CG1 VAL A 122 -10.184 4.528 2.794 1.00 0.00 C ATOM 1969 CG2 VAL A 122 -10.913 6.197 4.534 1.00 0.00 C ATOM 0 H VAL A 122 -9.441 7.193 2.532 1.00 0.00 H new ATOM 0 HA VAL A 122 -11.647 6.111 1.146 1.00 0.00 H new ATOM 0 HB VAL A 122 -12.199 5.027 3.302 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -10.081 3.785 3.585 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -10.480 4.034 1.868 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -9.230 5.035 2.646 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -10.802 5.423 5.293 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -9.981 6.756 4.446 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -11.716 6.875 4.823 1.00 0.00 H new ATOM 1979 N LYS A 123 -12.254 8.812 2.758 1.00 0.00 N ATOM 1980 CA LYS A 123 -13.275 9.811 3.074 1.00 0.00 C ATOM 1981 C LYS A 123 -13.550 10.730 1.884 1.00 0.00 C ATOM 1982 O LYS A 123 -14.582 11.404 1.845 1.00 0.00 O ATOM 1983 CB LYS A 123 -12.869 10.652 4.294 1.00 0.00 C ATOM 1984 CG LYS A 123 -12.867 9.875 5.610 1.00 0.00 C ATOM 1985 CD LYS A 123 -12.755 10.810 6.812 1.00 0.00 C ATOM 1986 CE LYS A 123 -12.844 10.057 8.135 1.00 0.00 C ATOM 1987 NZ LYS A 123 -12.985 10.983 9.292 1.00 0.00 N ATOM 0 H LYS A 123 -11.296 9.161 2.801 1.00 0.00 H new ATOM 0 HA LYS A 123 -14.190 9.266 3.308 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -11.874 11.063 4.125 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -13.552 11.497 4.384 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -13.782 9.288 5.688 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -12.035 9.171 5.617 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -11.808 11.348 6.765 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -13.549 11.556 6.766 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -13.695 9.376 8.109 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -11.951 9.446 8.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -13.042 10.432 10.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -12.161 11.616 9.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -13.851 11.549 9.181 1.00 0.00 H new ATOM 2001 N SER A 124 -12.626 10.773 0.923 1.00 0.00 N ATOM 2002 CA SER A 124 -12.811 11.604 -0.265 1.00 0.00 C ATOM 2003 C SER A 124 -14.036 11.126 -1.056 1.00 0.00 C ATOM 2004 O SER A 124 -14.267 9.918 -1.173 1.00 0.00 O ATOM 2005 CB SER A 124 -11.558 11.580 -1.153 1.00 0.00 C ATOM 2006 OG SER A 124 -11.345 10.300 -1.725 1.00 0.00 O ATOM 0 H SER A 124 -11.752 10.248 0.944 1.00 0.00 H new ATOM 0 HA SER A 124 -12.976 12.632 0.057 1.00 0.00 H new ATOM 0 HB2 SER A 124 -11.660 12.321 -1.946 1.00 0.00 H new ATOM 0 HB3 SER A 124 -10.687 11.864 -0.562 1.00 0.00 H new ATOM 0 HG SER A 124 -11.313 9.625 -1.015 1.00 0.00 H new ATOM 2012 N PRO A 125 -14.832 12.063 -1.619 1.00 0.00 N ATOM 2013 CA PRO A 125 -16.079 11.732 -2.326 1.00 0.00 C ATOM 2014 C PRO A 125 -15.870 10.683 -3.421 1.00 0.00 C ATOM 2015 O PRO A 125 -16.755 9.867 -3.686 1.00 0.00 O ATOM 2016 CB PRO A 125 -16.533 13.078 -2.931 1.00 0.00 C ATOM 2017 CG PRO A 125 -15.345 13.981 -2.827 1.00 0.00 C ATOM 2018 CD PRO A 125 -14.582 13.516 -1.619 1.00 0.00 C ATOM 0 HA PRO A 125 -16.817 11.292 -1.656 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -16.845 12.957 -3.968 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -17.385 13.486 -2.387 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -14.730 13.922 -3.725 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -15.653 15.021 -2.719 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -13.519 13.744 -1.699 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -14.942 13.989 -0.705 1.00 0.00 H new ATOM 2026 N LEU A 126 -14.682 10.693 -4.025 1.00 0.00 N ATOM 2027 CA LEU A 126 -14.355 9.773 -5.113 1.00 0.00 C ATOM 2028 C LEU A 126 -14.554 8.323 -4.671 1.00 0.00 C ATOM 2029 O LEU A 126 -15.049 7.492 -5.437 1.00 0.00 O ATOM 2030 CB LEU A 126 -12.913 10.022 -5.597 1.00 0.00 C ATOM 2031 CG LEU A 126 -12.469 9.253 -6.864 1.00 0.00 C ATOM 2032 CD1 LEU A 126 -11.323 9.982 -7.562 1.00 0.00 C ATOM 2033 CD2 LEU A 126 -12.047 7.820 -6.532 1.00 0.00 C ATOM 0 H LEU A 126 -13.927 11.332 -3.777 1.00 0.00 H new ATOM 0 HA LEU A 126 -15.031 9.956 -5.949 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -12.796 11.089 -5.787 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -12.232 9.766 -4.786 1.00 0.00 H new ATOM 0 HG LEU A 126 -13.327 9.209 -7.535 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -11.025 9.425 -8.451 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -11.650 10.981 -7.852 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -10.475 10.061 -6.882 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -11.741 7.310 -7.445 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -11.213 7.840 -5.831 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -12.886 7.288 -6.083 1.00 0.00 H new ATOM 2045 N TYR A 127 -14.190 8.026 -3.423 1.00 0.00 N ATOM 2046 CA TYR A 127 -14.357 6.680 -2.884 1.00 0.00 C ATOM 2047 C TYR A 127 -15.835 6.295 -2.882 1.00 0.00 C ATOM 2048 O TYR A 127 -16.202 5.180 -3.256 1.00 0.00 O ATOM 2049 CB TYR A 127 -13.779 6.581 -1.462 1.00 0.00 C ATOM 2050 CG TYR A 127 -13.927 5.198 -0.846 1.00 0.00 C ATOM 2051 CD1 TYR A 127 -13.266 4.105 -1.394 1.00 0.00 C ATOM 2052 CD2 TYR A 127 -14.736 4.980 0.266 1.00 0.00 C ATOM 2053 CE1 TYR A 127 -13.402 2.840 -0.855 1.00 0.00 C ATOM 2054 CE2 TYR A 127 -14.878 3.715 0.809 1.00 0.00 C ATOM 2055 CZ TYR A 127 -14.209 2.650 0.243 1.00 0.00 C ATOM 2056 OH TYR A 127 -14.355 1.387 0.773 1.00 0.00 O ATOM 0 H TYR A 127 -13.780 8.696 -2.772 1.00 0.00 H new ATOM 0 HA TYR A 127 -13.810 5.986 -3.522 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -12.723 6.848 -1.488 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -14.277 7.311 -0.823 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -12.634 4.247 -2.258 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -15.261 5.812 0.712 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -12.877 2.004 -1.294 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -15.510 3.563 1.672 1.00 0.00 H new ATOM 0 HH TYR A 127 -14.957 1.424 1.546 1.00 0.00 H new ATOM 2066 N ARG A 128 -16.683 7.240 -2.486 1.00 0.00 N ATOM 2067 CA ARG A 128 -18.121 7.004 -2.431 1.00 0.00 C ATOM 2068 C ARG A 128 -18.689 6.852 -3.843 1.00 0.00 C ATOM 2069 O ARG A 128 -19.653 6.115 -4.057 1.00 0.00 O ATOM 2070 CB ARG A 128 -18.820 8.142 -1.669 1.00 0.00 C ATOM 2071 CG ARG A 128 -20.332 7.967 -1.531 1.00 0.00 C ATOM 2072 CD ARG A 128 -20.920 8.927 -0.500 1.00 0.00 C ATOM 2073 NE ARG A 128 -20.416 8.645 0.851 1.00 0.00 N ATOM 2074 CZ ARG A 128 -20.225 9.568 1.797 1.00 0.00 C ATOM 2075 NH1 ARG A 128 -20.549 10.834 1.573 1.00 0.00 N ATOM 2076 NH2 ARG A 128 -19.734 9.211 2.978 1.00 0.00 N ATOM 0 H ARG A 128 -16.398 8.176 -2.199 1.00 0.00 H new ATOM 0 HA ARG A 128 -18.306 6.075 -1.892 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -18.382 8.220 -0.674 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -18.620 9.083 -2.180 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -20.807 8.135 -2.497 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -20.554 6.940 -1.241 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -20.673 9.953 -0.774 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -22.007 8.848 -0.507 1.00 0.00 H new ATOM 0 HE ARG A 128 -20.197 7.676 1.083 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -20.946 11.107 0.674 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -20.401 11.535 2.299 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -19.504 8.234 3.160 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -19.587 9.914 3.703 1.00 0.00 H new ATOM 2090 N GLU A 129 -18.070 7.535 -4.807 1.00 0.00 N ATOM 2091 CA GLU A 129 -18.455 7.404 -6.213 1.00 0.00 C ATOM 2092 C GLU A 129 -18.141 5.994 -6.711 1.00 0.00 C ATOM 2093 O GLU A 129 -18.897 5.411 -7.492 1.00 0.00 O ATOM 2094 CB GLU A 129 -17.732 8.445 -7.080 1.00 0.00 C ATOM 2095 CG GLU A 129 -17.965 9.885 -6.635 1.00 0.00 C ATOM 2096 CD GLU A 129 -17.360 10.906 -7.588 1.00 0.00 C ATOM 2097 OE1 GLU A 129 -16.117 11.021 -7.638 1.00 0.00 O ATOM 2098 OE2 GLU A 129 -18.127 11.596 -8.294 1.00 0.00 O ATOM 0 H GLU A 129 -17.301 8.184 -4.640 1.00 0.00 H new ATOM 0 HA GLU A 129 -19.527 7.581 -6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -16.662 8.238 -7.063 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -18.062 8.336 -8.113 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -19.037 10.065 -6.551 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -17.539 10.026 -5.642 1.00 0.00 H new ATOM 2105 N CYS A 130 -17.023 5.446 -6.238 1.00 0.00 N ATOM 2106 CA CYS A 130 -16.628 4.084 -6.581 1.00 0.00 C ATOM 2107 C CYS A 130 -17.609 3.073 -5.982 1.00 0.00 C ATOM 2108 O CYS A 130 -17.880 2.027 -6.575 1.00 0.00 O ATOM 2109 CB CYS A 130 -15.202 3.807 -6.089 1.00 0.00 C ATOM 2110 SG CYS A 130 -13.952 4.905 -6.798 1.00 0.00 S ATOM 0 H CYS A 130 -16.374 5.927 -5.615 1.00 0.00 H new ATOM 0 HA CYS A 130 -16.649 3.978 -7.666 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -15.179 3.900 -5.003 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -14.941 2.776 -6.326 1.00 0.00 H new ATOM 0 HG CYS A 130 -14.269 6.141 -6.549 1.00 0.00 H new