USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=25 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 40 ASN : amide:sc=-0.00072 K(o=-0.00072,f=-0.73) USER MOD Set 1.2: A 113 MET CE :methyl 149:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0.175 K(o=0.17,f=-0.33) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 33 LYS NZ :NH3+ -146:sc= 1.28 (180deg=-0.383) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 11:sc= 0.137 USER MOD Single : A 42 THR OG1 : rot 78:sc= 0.231 USER MOD Single : A 45 LYS NZ :NH3+ -168:sc= 0.123 (180deg=-0.351) USER MOD Single : A 47 CYS SG : rot 72:sc= -1.07! USER MOD Single : A 51 GLN : amide:sc= 0.0651 K(o=0.065,f=-0.46) USER MOD Single : A 52 GLN : amide:sc= -2.07! C(o=-2.1!,f=-3.5!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= 0.122 X(o=0.12,f=-0.17) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 67 ASN : amide:sc= 0.0548 X(o=0.055,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0.45 K(o=0.45,f=-8.4!) USER MOD Single : A 74 SER OG : rot 180:sc=-0.000228 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : A 79 SER OG : rot -67:sc= 0.671 USER MOD Single : A 82 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 86 GLN : amide:sc= 0.654 K(o=0.65,f=-7.6!) USER MOD Single : A 101 MET CE :methyl -106:sc= -1.27 (180deg=-5.58!) USER MOD Single : A 105 GLN : amide:sc= 0.194 K(o=0.19,f=-5.6!) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 108 GLN :FLIP amide:sc= 0.0877 F(o=-2.3!,f=0.088) USER MOD Single : A 111 ASN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 120:sc= 0.927 USER MOD Single : A 118 TYR OH : rot 180:sc= -0.729 USER MOD Single : A 123 LYS NZ :NH3+ -114:sc= 0.711 (180deg=-1.04) USER MOD Single : A 124 SER OG : rot 76:sc= 0.967 USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 CYS SG : rot -26:sc= -5.55! USER MOD ----------------------------------------------------------------- ATOM 106 N VAL A 8 -14.667 -1.377 -5.202 1.00 0.00 N ATOM 107 CA VAL A 8 -13.765 -0.307 -4.767 1.00 0.00 C ATOM 108 C VAL A 8 -13.936 0.010 -3.277 1.00 0.00 C ATOM 109 O VAL A 8 -13.103 0.683 -2.674 1.00 0.00 O ATOM 110 CB VAL A 8 -13.980 0.977 -5.605 1.00 0.00 C ATOM 111 CG1 VAL A 8 -13.689 0.703 -7.080 1.00 0.00 C ATOM 112 CG2 VAL A 8 -15.397 1.518 -5.418 1.00 0.00 C ATOM 0 HA VAL A 8 -12.748 -0.666 -4.924 1.00 0.00 H new ATOM 0 HB VAL A 8 -13.284 1.739 -5.254 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.844 1.615 -7.657 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.656 0.374 -7.192 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -14.359 -0.076 -7.445 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.524 2.420 -6.017 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -16.119 0.766 -5.737 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -15.560 1.754 -4.367 1.00 0.00 H new ATOM 122 N ALA A 9 -15.021 -0.480 -2.687 1.00 0.00 N ATOM 123 CA ALA A 9 -15.268 -0.299 -1.258 1.00 0.00 C ATOM 124 C ALA A 9 -14.307 -1.153 -0.428 1.00 0.00 C ATOM 125 O ALA A 9 -14.006 -0.828 0.723 1.00 0.00 O ATOM 126 CB ALA A 9 -16.715 -0.643 -0.925 1.00 0.00 C ATOM 0 H ALA A 9 -15.745 -1.006 -3.176 1.00 0.00 H new ATOM 0 HA ALA A 9 -15.092 0.747 -1.008 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -16.886 -0.504 0.143 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -17.383 0.010 -1.487 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.913 -1.681 -1.192 1.00 0.00 H new ATOM 132 N SER A 10 -13.809 -2.233 -1.032 1.00 0.00 N ATOM 133 CA SER A 10 -12.929 -3.175 -0.346 1.00 0.00 C ATOM 134 C SER A 10 -11.603 -2.524 0.063 1.00 0.00 C ATOM 135 O SER A 10 -10.873 -3.065 0.897 1.00 0.00 O ATOM 136 CB SER A 10 -12.672 -4.395 -1.237 1.00 0.00 C ATOM 137 OG SER A 10 -13.891 -5.030 -1.589 1.00 0.00 O ATOM 0 H SER A 10 -14.003 -2.477 -2.003 1.00 0.00 H new ATOM 0 HA SER A 10 -13.430 -3.494 0.568 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.144 -4.087 -2.139 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.026 -5.102 -0.716 1.00 0.00 H new ATOM 0 HG SER A 10 -13.704 -5.805 -2.159 1.00 0.00 H new ATOM 143 N TRP A 11 -11.291 -1.367 -0.522 1.00 0.00 N ATOM 144 CA TRP A 11 -10.097 -0.617 -0.133 1.00 0.00 C ATOM 145 C TRP A 11 -10.170 -0.256 1.348 1.00 0.00 C ATOM 146 O TRP A 11 -9.164 -0.263 2.055 1.00 0.00 O ATOM 147 CB TRP A 11 -9.960 0.674 -0.948 1.00 0.00 C ATOM 148 CG TRP A 11 -9.895 0.481 -2.434 1.00 0.00 C ATOM 149 CD1 TRP A 11 -9.461 -0.621 -3.115 1.00 0.00 C ATOM 150 CD2 TRP A 11 -10.263 1.446 -3.424 1.00 0.00 C ATOM 151 NE1 TRP A 11 -9.551 -0.401 -4.468 1.00 0.00 N ATOM 152 CE2 TRP A 11 -10.041 0.862 -4.681 1.00 0.00 C ATOM 153 CE3 TRP A 11 -10.764 2.749 -3.360 1.00 0.00 C ATOM 154 CZ2 TRP A 11 -10.307 1.539 -5.870 1.00 0.00 C ATOM 155 CZ3 TRP A 11 -11.026 3.421 -4.537 1.00 0.00 C ATOM 156 CH2 TRP A 11 -10.797 2.816 -5.780 1.00 0.00 C ATOM 0 H TRP A 11 -11.843 -0.932 -1.261 1.00 0.00 H new ATOM 0 HA TRP A 11 -9.231 -1.250 -0.326 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -10.805 1.323 -0.718 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -9.060 1.196 -0.625 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -9.101 -1.530 -2.657 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -9.295 -1.068 -5.196 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -10.943 3.222 -2.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -10.133 1.074 -6.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -11.413 4.428 -4.499 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -11.011 3.366 -6.684 1.00 0.00 H new ATOM 167 N ALA A 12 -11.387 0.023 1.809 1.00 0.00 N ATOM 168 CA ALA A 12 -11.619 0.497 3.170 1.00 0.00 C ATOM 169 C ALA A 12 -11.524 -0.634 4.193 1.00 0.00 C ATOM 170 O ALA A 12 -11.840 -0.443 5.369 1.00 0.00 O ATOM 171 CB ALA A 12 -12.977 1.183 3.257 1.00 0.00 C ATOM 0 H ALA A 12 -12.236 -0.073 1.252 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.836 1.216 3.411 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -13.143 1.534 4.276 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -13.001 2.031 2.573 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.760 0.475 2.985 1.00 0.00 H new ATOM 177 N LEU A 13 -11.098 -1.809 3.747 1.00 0.00 N ATOM 178 CA LEU A 13 -10.917 -2.947 4.643 1.00 0.00 C ATOM 179 C LEU A 13 -9.492 -2.978 5.190 1.00 0.00 C ATOM 180 O LEU A 13 -9.266 -3.387 6.333 1.00 0.00 O ATOM 181 CB LEU A 13 -11.233 -4.263 3.917 1.00 0.00 C ATOM 182 CG LEU A 13 -12.681 -4.410 3.420 1.00 0.00 C ATOM 183 CD1 LEU A 13 -12.879 -5.747 2.709 1.00 0.00 C ATOM 184 CD2 LEU A 13 -13.668 -4.261 4.579 1.00 0.00 C ATOM 0 H LEU A 13 -10.871 -2.000 2.771 1.00 0.00 H new ATOM 0 HA LEU A 13 -11.609 -2.835 5.478 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.562 -4.357 3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.012 -5.092 4.590 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.875 -3.613 2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -13.911 -5.828 2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.207 -5.807 1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.661 -6.562 3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -14.686 -4.368 4.206 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -13.472 -5.031 5.325 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -13.550 -3.277 5.033 1.00 0.00 H new ATOM 196 N SER A 14 -8.538 -2.522 4.379 1.00 0.00 N ATOM 197 CA SER A 14 -7.130 -2.557 4.753 1.00 0.00 C ATOM 198 C SER A 14 -6.289 -1.706 3.803 1.00 0.00 C ATOM 199 O SER A 14 -6.504 -1.712 2.583 1.00 0.00 O ATOM 200 CB SER A 14 -6.615 -4.004 4.756 1.00 0.00 C ATOM 201 OG SER A 14 -5.232 -4.066 5.068 1.00 0.00 O ATOM 0 H SER A 14 -8.718 -2.124 3.457 1.00 0.00 H new ATOM 0 HA SER A 14 -7.038 -2.143 5.757 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.179 -4.590 5.482 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.789 -4.455 3.779 1.00 0.00 H new ATOM 0 HG SER A 14 -4.937 -5.001 5.063 1.00 0.00 H new ATOM 207 N PHE A 15 -5.321 -0.992 4.372 1.00 0.00 N ATOM 208 CA PHE A 15 -4.400 -0.174 3.593 1.00 0.00 C ATOM 209 C PHE A 15 -3.566 -1.069 2.682 1.00 0.00 C ATOM 210 O PHE A 15 -3.283 -0.711 1.542 1.00 0.00 O ATOM 211 CB PHE A 15 -3.496 0.649 4.524 1.00 0.00 C ATOM 212 CG PHE A 15 -2.514 1.546 3.804 1.00 0.00 C ATOM 213 CD1 PHE A 15 -2.933 2.377 2.773 1.00 0.00 C ATOM 214 CD2 PHE A 15 -1.173 1.563 4.164 1.00 0.00 C ATOM 215 CE1 PHE A 15 -2.038 3.202 2.118 1.00 0.00 C ATOM 216 CE2 PHE A 15 -0.275 2.388 3.512 1.00 0.00 C ATOM 217 CZ PHE A 15 -0.708 3.208 2.489 1.00 0.00 C ATOM 0 H PHE A 15 -5.155 -0.965 5.378 1.00 0.00 H new ATOM 0 HA PHE A 15 -4.971 0.521 2.977 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -4.123 1.262 5.171 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.942 -0.033 5.169 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.972 2.379 2.479 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.827 0.924 4.963 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.379 3.841 1.317 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.765 2.391 3.803 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.007 3.853 1.980 1.00 0.00 H new ATOM 227 N GLU A 16 -3.200 -2.244 3.196 1.00 0.00 N ATOM 228 CA GLU A 16 -2.462 -3.241 2.424 1.00 0.00 C ATOM 229 C GLU A 16 -3.177 -3.524 1.100 1.00 0.00 C ATOM 230 O GLU A 16 -2.546 -3.616 0.047 1.00 0.00 O ATOM 231 CB GLU A 16 -2.313 -4.541 3.231 1.00 0.00 C ATOM 232 CG GLU A 16 -1.523 -5.633 2.510 1.00 0.00 C ATOM 233 CD GLU A 16 -1.503 -6.952 3.273 1.00 0.00 C ATOM 234 OE1 GLU A 16 -2.539 -7.650 3.283 1.00 0.00 O ATOM 235 OE2 GLU A 16 -0.456 -7.298 3.862 1.00 0.00 O ATOM 0 H GLU A 16 -3.406 -2.529 4.153 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.469 -2.846 2.210 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.821 -4.315 4.177 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.305 -4.923 3.471 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.956 -5.796 1.523 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.499 -5.292 2.356 1.00 0.00 H new ATOM 242 N ARG A 17 -4.506 -3.642 1.167 1.00 0.00 N ATOM 243 CA ARG A 17 -5.320 -3.882 -0.022 1.00 0.00 C ATOM 244 C ARG A 17 -5.158 -2.735 -1.016 1.00 0.00 C ATOM 245 O ARG A 17 -4.706 -2.937 -2.142 1.00 0.00 O ATOM 246 CB ARG A 17 -6.805 -4.039 0.355 1.00 0.00 C ATOM 247 CG ARG A 17 -7.732 -4.211 -0.851 1.00 0.00 C ATOM 248 CD ARG A 17 -7.549 -5.565 -1.534 1.00 0.00 C ATOM 249 NE ARG A 17 -8.244 -6.643 -0.818 1.00 0.00 N ATOM 250 CZ ARG A 17 -7.653 -7.728 -0.308 1.00 0.00 C ATOM 251 NH1 ARG A 17 -6.333 -7.865 -0.366 1.00 0.00 N ATOM 252 NH2 ARG A 17 -8.392 -8.667 0.274 1.00 0.00 N ATOM 0 H ARG A 17 -5.039 -3.575 2.034 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.978 -4.807 -0.485 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.914 -4.902 1.012 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.121 -3.164 0.923 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.768 -4.106 -0.528 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.540 -3.415 -1.570 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.924 -5.509 -2.556 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.486 -5.798 -1.597 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.254 -6.557 -0.701 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.764 -7.140 -0.802 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.889 -8.696 0.025 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.405 -8.557 0.330 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.947 -9.497 0.665 1.00 0.00 H new ATOM 266 N LEU A 18 -5.506 -1.528 -0.574 1.00 0.00 N ATOM 267 CA LEU A 18 -5.478 -0.340 -1.433 1.00 0.00 C ATOM 268 C LEU A 18 -4.062 -0.053 -1.946 1.00 0.00 C ATOM 269 O LEU A 18 -3.882 0.482 -3.039 1.00 0.00 O ATOM 270 CB LEU A 18 -6.048 0.866 -0.656 1.00 0.00 C ATOM 271 CG LEU A 18 -6.005 2.235 -1.379 1.00 0.00 C ATOM 272 CD1 LEU A 18 -7.171 3.120 -0.943 1.00 0.00 C ATOM 273 CD2 LEU A 18 -4.682 2.955 -1.108 1.00 0.00 C ATOM 0 H LEU A 18 -5.813 -1.344 0.381 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.100 -0.524 -2.309 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.085 0.648 -0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.500 0.958 0.282 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.089 2.044 -2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.118 4.075 -1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.112 2.627 -1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.116 3.291 0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.677 3.914 -1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.571 3.122 -0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.855 2.343 -1.468 1.00 0.00 H new ATOM 285 N LEU A 19 -3.065 -0.435 -1.156 1.00 0.00 N ATOM 286 CA LEU A 19 -1.667 -0.136 -1.461 1.00 0.00 C ATOM 287 C LEU A 19 -1.077 -1.166 -2.420 1.00 0.00 C ATOM 288 O LEU A 19 -0.055 -0.921 -3.063 1.00 0.00 O ATOM 289 CB LEU A 19 -0.856 -0.094 -0.159 1.00 0.00 C ATOM 290 CG LEU A 19 0.620 0.307 -0.302 1.00 0.00 C ATOM 291 CD1 LEU A 19 0.761 1.655 -1.005 1.00 0.00 C ATOM 292 CD2 LEU A 19 1.300 0.344 1.060 1.00 0.00 C ATOM 0 H LEU A 19 -3.199 -0.958 -0.291 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.620 0.837 -1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.338 0.605 0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.902 -1.078 0.307 1.00 0.00 H new ATOM 0 HG LEU A 19 1.112 -0.447 -0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.817 1.912 -1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.320 1.594 -2.000 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.247 2.423 -0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.345 0.630 0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.797 1.071 1.698 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.246 -0.642 1.521 1.00 0.00 H new ATOM 304 N GLN A 20 -1.716 -2.323 -2.502 1.00 0.00 N ATOM 305 CA GLN A 20 -1.245 -3.397 -3.378 1.00 0.00 C ATOM 306 C GLN A 20 -2.136 -3.523 -4.620 1.00 0.00 C ATOM 307 O GLN A 20 -1.749 -4.142 -5.617 1.00 0.00 O ATOM 308 CB GLN A 20 -1.207 -4.720 -2.600 1.00 0.00 C ATOM 309 CG GLN A 20 -0.416 -5.830 -3.286 1.00 0.00 C ATOM 310 CD GLN A 20 0.991 -5.392 -3.670 1.00 0.00 C ATOM 311 OE1 GLN A 20 1.235 -4.963 -4.797 1.00 0.00 O ATOM 312 NE2 GLN A 20 1.912 -5.463 -2.724 1.00 0.00 N ATOM 0 H GLN A 20 -2.561 -2.547 -1.976 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.238 -3.156 -3.717 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.775 -4.537 -1.616 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.229 -5.064 -2.441 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.356 -6.692 -2.622 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.949 -6.152 -4.180 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.669 -5.825 -1.802 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.865 -5.156 -2.916 1.00 0.00 H new ATOM 321 N ASP A 21 -3.324 -2.923 -4.552 1.00 0.00 N ATOM 322 CA ASP A 21 -4.290 -2.968 -5.652 1.00 0.00 C ATOM 323 C ASP A 21 -4.041 -1.821 -6.635 1.00 0.00 C ATOM 324 O ASP A 21 -4.050 -0.653 -6.244 1.00 0.00 O ATOM 325 CB ASP A 21 -5.725 -2.897 -5.101 1.00 0.00 C ATOM 326 CG ASP A 21 -6.779 -2.728 -6.188 1.00 0.00 C ATOM 327 OD1 ASP A 21 -6.701 -3.429 -7.217 1.00 0.00 O ATOM 328 OD2 ASP A 21 -7.678 -1.877 -6.022 1.00 0.00 O ATOM 0 H ASP A 21 -3.643 -2.395 -3.740 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.164 -3.910 -6.185 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.936 -3.806 -4.538 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.798 -2.064 -4.401 1.00 0.00 H new ATOM 333 N PRO A 22 -3.814 -2.138 -7.926 1.00 0.00 N ATOM 334 CA PRO A 22 -3.535 -1.126 -8.957 1.00 0.00 C ATOM 335 C PRO A 22 -4.712 -0.175 -9.193 1.00 0.00 C ATOM 336 O PRO A 22 -4.525 0.941 -9.688 1.00 0.00 O ATOM 337 CB PRO A 22 -3.244 -1.961 -10.216 1.00 0.00 C ATOM 338 CG PRO A 22 -3.912 -3.270 -9.966 1.00 0.00 C ATOM 339 CD PRO A 22 -3.804 -3.506 -8.485 1.00 0.00 C ATOM 0 HA PRO A 22 -2.712 -0.473 -8.666 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.639 -1.479 -11.110 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -2.172 -2.086 -10.369 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.954 -3.244 -10.283 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -3.428 -4.070 -10.526 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -4.637 -4.101 -8.110 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -2.889 -4.040 -8.228 1.00 0.00 H new ATOM 347 N LEU A 23 -5.921 -0.610 -8.845 1.00 0.00 N ATOM 348 CA LEU A 23 -7.110 0.225 -9.007 1.00 0.00 C ATOM 349 C LEU A 23 -7.152 1.259 -7.879 1.00 0.00 C ATOM 350 O LEU A 23 -7.315 2.464 -8.117 1.00 0.00 O ATOM 351 CB LEU A 23 -8.385 -0.646 -9.014 1.00 0.00 C ATOM 352 CG LEU A 23 -9.526 -0.166 -9.937 1.00 0.00 C ATOM 353 CD1 LEU A 23 -10.705 -1.137 -9.887 1.00 0.00 C ATOM 354 CD2 LEU A 23 -9.985 1.247 -9.574 1.00 0.00 C ATOM 0 H LEU A 23 -6.103 -1.533 -8.450 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.065 0.746 -9.963 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.108 -1.659 -9.308 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.768 -0.703 -7.995 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.136 -0.140 -10.954 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -11.498 -0.780 -10.544 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.378 -2.124 -10.215 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.081 -1.200 -8.866 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.789 1.552 -10.244 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.346 1.259 -8.546 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.148 1.938 -9.673 1.00 0.00 H new ATOM 366 N GLY A 24 -6.975 0.774 -6.652 1.00 0.00 N ATOM 367 CA GLY A 24 -6.885 1.647 -5.500 1.00 0.00 C ATOM 368 C GLY A 24 -5.754 2.636 -5.647 1.00 0.00 C ATOM 369 O GLY A 24 -5.960 3.846 -5.555 1.00 0.00 O ATOM 0 H GLY A 24 -6.892 -0.220 -6.437 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.825 2.183 -5.373 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.734 1.051 -4.600 1.00 0.00 H new ATOM 373 N LEU A 25 -4.558 2.112 -5.902 1.00 0.00 N ATOM 374 CA LEU A 25 -3.383 2.939 -6.149 1.00 0.00 C ATOM 375 C LEU A 25 -3.631 3.947 -7.266 1.00 0.00 C ATOM 376 O LEU A 25 -3.077 5.038 -7.236 1.00 0.00 O ATOM 377 CB LEU A 25 -2.162 2.075 -6.495 1.00 0.00 C ATOM 378 CG LEU A 25 -1.534 1.332 -5.311 1.00 0.00 C ATOM 379 CD1 LEU A 25 -0.301 0.556 -5.762 1.00 0.00 C ATOM 380 CD2 LEU A 25 -1.181 2.310 -4.191 1.00 0.00 C ATOM 0 H LEU A 25 -4.378 1.109 -5.943 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.181 3.487 -5.228 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.456 1.344 -7.248 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.402 2.712 -6.948 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.262 0.620 -4.923 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.133 0.034 -4.909 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.586 -0.169 -6.524 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.433 1.248 -6.176 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.736 1.765 -3.359 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.470 3.048 -4.563 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.085 2.816 -3.852 1.00 0.00 H new ATOM 392 N ALA A 26 -4.456 3.584 -8.242 1.00 0.00 N ATOM 393 CA ALA A 26 -4.768 4.488 -9.346 1.00 0.00 C ATOM 394 C ALA A 26 -5.367 5.791 -8.823 1.00 0.00 C ATOM 395 O ALA A 26 -4.757 6.851 -8.937 1.00 0.00 O ATOM 396 CB ALA A 26 -5.715 3.826 -10.343 1.00 0.00 C ATOM 0 H ALA A 26 -4.919 2.676 -8.293 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.838 4.720 -9.864 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.931 4.520 -11.155 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.248 2.928 -10.748 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.643 3.556 -9.839 1.00 0.00 H new ATOM 402 N TYR A 27 -6.545 5.702 -8.214 1.00 0.00 N ATOM 403 CA TYR A 27 -7.234 6.894 -7.710 1.00 0.00 C ATOM 404 C TYR A 27 -6.499 7.485 -6.509 1.00 0.00 C ATOM 405 O TYR A 27 -6.490 8.704 -6.308 1.00 0.00 O ATOM 406 CB TYR A 27 -8.688 6.564 -7.342 1.00 0.00 C ATOM 407 CG TYR A 27 -9.575 6.307 -8.549 1.00 0.00 C ATOM 408 CD1 TYR A 27 -9.665 5.041 -9.121 1.00 0.00 C ATOM 409 CD2 TYR A 27 -10.312 7.339 -9.123 1.00 0.00 C ATOM 410 CE1 TYR A 27 -10.463 4.814 -10.227 1.00 0.00 C ATOM 411 CE2 TYR A 27 -11.114 7.116 -10.226 1.00 0.00 C ATOM 412 CZ TYR A 27 -11.185 5.854 -10.774 1.00 0.00 C ATOM 413 OH TYR A 27 -11.976 5.634 -11.879 1.00 0.00 O ATOM 0 H TYR A 27 -7.043 4.826 -8.056 1.00 0.00 H new ATOM 0 HA TYR A 27 -7.239 7.640 -8.505 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.701 5.685 -6.698 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -9.104 7.389 -6.764 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -9.103 4.224 -8.694 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -10.256 8.331 -8.699 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.521 3.827 -10.661 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.682 7.927 -10.656 1.00 0.00 H new ATOM 0 HH TYR A 27 -12.417 6.470 -12.137 1.00 0.00 H new ATOM 423 N PHE A 28 -5.869 6.619 -5.726 1.00 0.00 N ATOM 424 CA PHE A 28 -5.141 7.045 -4.536 1.00 0.00 C ATOM 425 C PHE A 28 -3.923 7.884 -4.918 1.00 0.00 C ATOM 426 O PHE A 28 -3.698 8.951 -4.349 1.00 0.00 O ATOM 427 CB PHE A 28 -4.713 5.826 -3.711 1.00 0.00 C ATOM 428 CG PHE A 28 -3.998 6.167 -2.426 1.00 0.00 C ATOM 429 CD1 PHE A 28 -4.656 6.844 -1.408 1.00 0.00 C ATOM 430 CD2 PHE A 28 -2.672 5.803 -2.232 1.00 0.00 C ATOM 431 CE1 PHE A 28 -4.007 7.152 -0.227 1.00 0.00 C ATOM 432 CE2 PHE A 28 -2.021 6.108 -1.053 1.00 0.00 C ATOM 433 CZ PHE A 28 -2.688 6.782 -0.049 1.00 0.00 C ATOM 0 H PHE A 28 -5.847 5.613 -5.894 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.804 7.663 -3.930 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.597 5.233 -3.475 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.062 5.200 -4.321 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.688 7.134 -1.540 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.144 5.275 -3.012 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.530 7.681 0.556 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.989 5.819 -0.916 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.179 7.019 0.874 1.00 0.00 H new ATOM 443 N THR A 29 -3.154 7.411 -5.899 1.00 0.00 N ATOM 444 CA THR A 29 -1.943 8.107 -6.323 1.00 0.00 C ATOM 445 C THR A 29 -2.312 9.419 -7.012 1.00 0.00 C ATOM 446 O THR A 29 -1.563 10.386 -6.950 1.00 0.00 O ATOM 447 CB THR A 29 -1.057 7.239 -7.265 1.00 0.00 C ATOM 448 OG1 THR A 29 0.290 7.737 -7.282 1.00 0.00 O ATOM 449 CG2 THR A 29 -1.597 7.214 -8.694 1.00 0.00 C ATOM 0 H THR A 29 -3.349 6.551 -6.412 1.00 0.00 H new ATOM 0 HA THR A 29 -1.356 8.312 -5.428 1.00 0.00 H new ATOM 0 HB THR A 29 -1.075 6.222 -6.873 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.837 7.182 -7.876 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.949 6.597 -9.317 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.604 6.798 -8.695 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.623 8.229 -9.091 1.00 0.00 H new ATOM 457 N GLU A 30 -3.483 9.447 -7.649 1.00 0.00 N ATOM 458 CA GLU A 30 -3.984 10.663 -8.284 1.00 0.00 C ATOM 459 C GLU A 30 -4.205 11.762 -7.245 1.00 0.00 C ATOM 460 O GLU A 30 -3.755 12.898 -7.416 1.00 0.00 O ATOM 461 CB GLU A 30 -5.289 10.371 -9.043 1.00 0.00 C ATOM 462 CG GLU A 30 -5.094 9.525 -10.296 1.00 0.00 C ATOM 463 CD GLU A 30 -4.089 10.136 -11.258 1.00 0.00 C ATOM 464 OE1 GLU A 30 -4.414 11.164 -11.884 1.00 0.00 O ATOM 465 OE2 GLU A 30 -2.964 9.605 -11.382 1.00 0.00 O ATOM 0 H GLU A 30 -4.101 8.641 -7.738 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.237 11.012 -8.997 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.981 9.859 -8.374 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.755 11.316 -9.322 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.759 8.528 -10.009 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.052 9.406 -10.803 1.00 0.00 H new ATOM 472 N PHE A 31 -4.889 11.406 -6.164 1.00 0.00 N ATOM 473 CA PHE A 31 -5.167 12.340 -5.074 1.00 0.00 C ATOM 474 C PHE A 31 -3.879 12.649 -4.305 1.00 0.00 C ATOM 475 O PHE A 31 -3.635 13.783 -3.891 1.00 0.00 O ATOM 476 CB PHE A 31 -6.221 11.731 -4.134 1.00 0.00 C ATOM 477 CG PHE A 31 -6.720 12.670 -3.062 1.00 0.00 C ATOM 478 CD1 PHE A 31 -7.736 13.575 -3.337 1.00 0.00 C ATOM 479 CD2 PHE A 31 -6.181 12.643 -1.783 1.00 0.00 C ATOM 480 CE1 PHE A 31 -8.201 14.434 -2.361 1.00 0.00 C ATOM 481 CE2 PHE A 31 -6.643 13.501 -0.804 1.00 0.00 C ATOM 482 CZ PHE A 31 -7.653 14.397 -1.092 1.00 0.00 C ATOM 0 H PHE A 31 -5.265 10.469 -6.016 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.554 13.272 -5.486 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.070 11.395 -4.729 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.797 10.847 -3.657 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.168 13.608 -4.326 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -5.392 11.943 -1.551 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.992 15.134 -2.588 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.214 13.471 0.187 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.015 15.068 -0.327 1.00 0.00 H new ATOM 492 N LEU A 32 -3.051 11.624 -4.145 1.00 0.00 N ATOM 493 CA LEU A 32 -1.808 11.733 -3.390 1.00 0.00 C ATOM 494 C LEU A 32 -0.755 12.525 -4.181 1.00 0.00 C ATOM 495 O LEU A 32 0.114 13.178 -3.602 1.00 0.00 O ATOM 496 CB LEU A 32 -1.301 10.322 -3.043 1.00 0.00 C ATOM 497 CG LEU A 32 -0.101 10.245 -2.086 1.00 0.00 C ATOM 498 CD1 LEU A 32 -0.400 10.937 -0.761 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.304 8.791 -1.849 1.00 0.00 C ATOM 0 H LEU A 32 -3.221 10.696 -4.533 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.994 12.279 -2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.126 9.761 -2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.031 9.818 -3.971 1.00 0.00 H new ATOM 0 HG LEU A 32 0.732 10.769 -2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.470 10.864 -0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.630 11.987 -0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.254 10.456 -0.284 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.155 8.757 -1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.533 8.247 -1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.579 8.331 -2.798 1.00 0.00 H new ATOM 511 N LYS A 33 -0.848 12.472 -5.511 1.00 0.00 N ATOM 512 CA LYS A 33 0.051 13.236 -6.380 1.00 0.00 C ATOM 513 C LYS A 33 -0.454 14.668 -6.503 1.00 0.00 C ATOM 514 O LYS A 33 0.322 15.590 -6.752 1.00 0.00 O ATOM 515 CB LYS A 33 0.156 12.592 -7.775 1.00 0.00 C ATOM 516 CG LYS A 33 1.276 13.164 -8.646 1.00 0.00 C ATOM 517 CD LYS A 33 2.663 12.804 -8.104 1.00 0.00 C ATOM 518 CE LYS A 33 3.781 13.409 -8.947 1.00 0.00 C ATOM 519 NZ LYS A 33 5.125 12.950 -8.504 1.00 0.00 N ATOM 0 H LYS A 33 -1.536 11.909 -6.010 1.00 0.00 H new ATOM 0 HA LYS A 33 1.045 13.236 -5.934 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.314 11.520 -7.657 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.794 12.719 -8.294 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.174 12.785 -9.663 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.177 14.248 -8.698 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.753 13.156 -7.076 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.773 11.720 -8.081 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.633 13.140 -9.993 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.732 14.496 -8.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.815 13.717 -8.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.088 12.688 -7.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.412 12.124 -9.066 1.00 0.00 H new ATOM 533 N LYS A 34 -1.761 14.843 -6.309 1.00 0.00 N ATOM 534 CA LYS A 34 -2.379 16.165 -6.306 1.00 0.00 C ATOM 535 C LYS A 34 -1.725 17.036 -5.235 1.00 0.00 C ATOM 536 O LYS A 34 -1.406 18.203 -5.467 1.00 0.00 O ATOM 537 CB LYS A 34 -3.887 16.039 -6.038 1.00 0.00 C ATOM 538 CG LYS A 34 -4.660 17.350 -6.157 1.00 0.00 C ATOM 539 CD LYS A 34 -4.695 17.862 -7.595 1.00 0.00 C ATOM 540 CE LYS A 34 -5.511 19.142 -7.718 1.00 0.00 C ATOM 541 NZ LYS A 34 -5.629 19.591 -9.132 1.00 0.00 N ATOM 0 H LYS A 34 -2.416 14.077 -6.151 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.234 16.631 -7.281 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.309 15.318 -6.738 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.033 15.635 -5.036 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.679 17.204 -5.799 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.201 18.102 -5.515 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.678 18.044 -7.941 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.120 17.096 -8.244 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.506 18.979 -7.305 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.044 19.929 -7.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.191 20.465 -9.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.681 19.771 -9.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.097 18.851 -9.693 1.00 0.00 H new ATOM 555 N GLU A 35 -1.508 16.440 -4.065 1.00 0.00 N ATOM 556 CA GLU A 35 -0.832 17.115 -2.958 1.00 0.00 C ATOM 557 C GLU A 35 0.687 16.964 -3.078 1.00 0.00 C ATOM 558 O GLU A 35 1.434 17.397 -2.200 1.00 0.00 O ATOM 559 CB GLU A 35 -1.312 16.537 -1.618 1.00 0.00 C ATOM 560 CG GLU A 35 -2.819 16.642 -1.406 1.00 0.00 C ATOM 561 CD GLU A 35 -3.328 18.075 -1.485 1.00 0.00 C ATOM 562 OE1 GLU A 35 -2.940 18.896 -0.624 1.00 0.00 O ATOM 563 OE2 GLU A 35 -4.110 18.389 -2.406 1.00 0.00 O ATOM 0 H GLU A 35 -1.793 15.483 -3.857 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.078 18.176 -3.000 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.019 15.489 -1.559 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.803 17.056 -0.806 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.330 16.038 -2.156 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.074 16.224 -0.432 1.00 0.00 H new ATOM 570 N PHE A 36 1.122 16.352 -4.181 1.00 0.00 N ATOM 571 CA PHE A 36 2.534 16.067 -4.439 1.00 0.00 C ATOM 572 C PHE A 36 3.148 15.278 -3.282 1.00 0.00 C ATOM 573 O PHE A 36 3.996 15.776 -2.541 1.00 0.00 O ATOM 574 CB PHE A 36 3.321 17.363 -4.712 1.00 0.00 C ATOM 575 CG PHE A 36 4.758 17.129 -5.116 1.00 0.00 C ATOM 576 CD1 PHE A 36 5.060 16.381 -6.245 1.00 0.00 C ATOM 577 CD2 PHE A 36 5.804 17.658 -4.369 1.00 0.00 C ATOM 578 CE1 PHE A 36 6.371 16.163 -6.620 1.00 0.00 C ATOM 579 CE2 PHE A 36 7.117 17.442 -4.743 1.00 0.00 C ATOM 580 CZ PHE A 36 7.401 16.694 -5.869 1.00 0.00 C ATOM 0 H PHE A 36 0.499 16.038 -4.926 1.00 0.00 H new ATOM 0 HA PHE A 36 2.596 15.450 -5.336 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.818 17.923 -5.500 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.301 17.985 -3.817 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.259 15.964 -6.838 1.00 0.00 H new ATOM 0 HD2 PHE A 36 5.589 18.244 -3.488 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.591 15.577 -7.500 1.00 0.00 H new ATOM 0 HE2 PHE A 36 7.921 17.858 -4.155 1.00 0.00 H new ATOM 0 HZ PHE A 36 8.427 16.525 -6.161 1.00 0.00 H new ATOM 590 N SER A 37 2.683 14.046 -3.118 1.00 0.00 N ATOM 591 CA SER A 37 3.191 13.163 -2.073 1.00 0.00 C ATOM 592 C SER A 37 3.017 11.694 -2.473 1.00 0.00 C ATOM 593 O SER A 37 3.135 10.792 -1.640 1.00 0.00 O ATOM 594 CB SER A 37 2.474 13.467 -0.749 1.00 0.00 C ATOM 595 OG SER A 37 1.073 13.577 -0.942 1.00 0.00 O ATOM 0 H SER A 37 1.952 13.633 -3.697 1.00 0.00 H new ATOM 0 HA SER A 37 4.258 13.342 -1.941 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.684 12.677 -0.028 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.860 14.395 -0.327 1.00 0.00 H new ATOM 0 HG SER A 37 0.842 13.270 -1.843 1.00 0.00 H new ATOM 601 N ALA A 38 2.779 11.455 -3.768 1.00 0.00 N ATOM 602 CA ALA A 38 2.562 10.097 -4.280 1.00 0.00 C ATOM 603 C ALA A 38 3.828 9.262 -4.161 1.00 0.00 C ATOM 604 O ALA A 38 3.801 8.035 -4.271 1.00 0.00 O ATOM 605 CB ALA A 38 2.091 10.142 -5.728 1.00 0.00 C ATOM 0 H ALA A 38 2.732 12.184 -4.480 1.00 0.00 H new ATOM 0 HA ALA A 38 1.786 9.628 -3.675 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.935 9.126 -6.092 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.155 10.697 -5.789 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.846 10.635 -6.341 1.00 0.00 H new ATOM 611 N GLU A 39 4.930 9.943 -3.900 1.00 0.00 N ATOM 612 CA GLU A 39 6.239 9.311 -3.829 1.00 0.00 C ATOM 613 C GLU A 39 6.334 8.400 -2.611 1.00 0.00 C ATOM 614 O GLU A 39 7.231 7.567 -2.521 1.00 0.00 O ATOM 615 CB GLU A 39 7.341 10.376 -3.796 1.00 0.00 C ATOM 616 CG GLU A 39 7.438 11.206 -5.080 1.00 0.00 C ATOM 617 CD GLU A 39 6.186 12.030 -5.354 1.00 0.00 C ATOM 618 OE1 GLU A 39 5.975 13.051 -4.665 1.00 0.00 O ATOM 619 OE2 GLU A 39 5.399 11.654 -6.249 1.00 0.00 O ATOM 0 H GLU A 39 4.944 10.949 -3.731 1.00 0.00 H new ATOM 0 HA GLU A 39 6.375 8.698 -4.720 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.161 11.045 -2.955 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.299 9.888 -3.616 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.297 11.873 -5.010 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.619 10.540 -5.924 1.00 0.00 H new ATOM 626 N ASN A 40 5.400 8.564 -1.680 1.00 0.00 N ATOM 627 CA ASN A 40 5.319 7.705 -0.500 1.00 0.00 C ATOM 628 C ASN A 40 5.048 6.257 -0.906 1.00 0.00 C ATOM 629 O ASN A 40 5.735 5.337 -0.455 1.00 0.00 O ATOM 630 CB ASN A 40 4.221 8.201 0.455 1.00 0.00 C ATOM 631 CG ASN A 40 4.556 9.541 1.094 1.00 0.00 C ATOM 632 OD1 ASN A 40 5.719 9.849 1.354 1.00 0.00 O ATOM 633 ND2 ASN A 40 3.539 10.351 1.345 1.00 0.00 N ATOM 0 H ASN A 40 4.683 9.289 -1.719 1.00 0.00 H new ATOM 0 HA ASN A 40 6.277 7.748 0.018 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.283 8.289 -0.092 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.065 7.459 1.238 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.707 11.264 1.767 1.00 0.00 H new ATOM 0 HD22 ASN A 40 2.588 10.062 1.116 1.00 0.00 H new ATOM 640 N VAL A 41 4.058 6.056 -1.777 1.00 0.00 N ATOM 641 CA VAL A 41 3.717 4.709 -2.234 1.00 0.00 C ATOM 642 C VAL A 41 4.761 4.218 -3.230 1.00 0.00 C ATOM 643 O VAL A 41 5.103 3.037 -3.254 1.00 0.00 O ATOM 644 CB VAL A 41 2.298 4.628 -2.865 1.00 0.00 C ATOM 645 CG1 VAL A 41 1.252 5.193 -1.906 1.00 0.00 C ATOM 646 CG2 VAL A 41 2.236 5.337 -4.219 1.00 0.00 C ATOM 0 H VAL A 41 3.485 6.799 -2.176 1.00 0.00 H new ATOM 0 HA VAL A 41 3.710 4.065 -1.354 1.00 0.00 H new ATOM 0 HB VAL A 41 2.076 3.576 -3.041 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.265 5.128 -2.364 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.260 4.619 -0.979 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.483 6.236 -1.689 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.228 5.257 -4.626 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.493 6.388 -4.091 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.942 4.871 -4.906 1.00 0.00 H new ATOM 656 N THR A 42 5.280 5.140 -4.038 1.00 0.00 N ATOM 657 CA THR A 42 6.353 4.828 -4.970 1.00 0.00 C ATOM 658 C THR A 42 7.580 4.330 -4.205 1.00 0.00 C ATOM 659 O THR A 42 8.233 3.375 -4.613 1.00 0.00 O ATOM 660 CB THR A 42 6.731 6.067 -5.813 1.00 0.00 C ATOM 661 OG1 THR A 42 5.551 6.625 -6.410 1.00 0.00 O ATOM 662 CG2 THR A 42 7.735 5.709 -6.905 1.00 0.00 C ATOM 0 H THR A 42 4.971 6.112 -4.063 1.00 0.00 H new ATOM 0 HA THR A 42 6.003 4.046 -5.644 1.00 0.00 H new ATOM 0 HB THR A 42 7.193 6.799 -5.151 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.060 7.145 -5.740 1.00 0.00 H new ATOM 0 HG21 THR A 42 7.981 6.602 -7.480 1.00 0.00 H new ATOM 0 HG22 THR A 42 8.641 5.310 -6.449 1.00 0.00 H new ATOM 0 HG23 THR A 42 7.301 4.959 -7.566 1.00 0.00 H new ATOM 670 N PHE A 43 7.864 4.982 -3.077 1.00 0.00 N ATOM 671 CA PHE A 43 8.968 4.594 -2.201 1.00 0.00 C ATOM 672 C PHE A 43 8.733 3.193 -1.642 1.00 0.00 C ATOM 673 O PHE A 43 9.647 2.365 -1.609 1.00 0.00 O ATOM 674 CB PHE A 43 9.114 5.611 -1.057 1.00 0.00 C ATOM 675 CG PHE A 43 10.176 5.259 -0.042 1.00 0.00 C ATOM 676 CD1 PHE A 43 11.524 5.391 -0.350 1.00 0.00 C ATOM 677 CD2 PHE A 43 9.825 4.805 1.224 1.00 0.00 C ATOM 678 CE1 PHE A 43 12.496 5.075 0.580 1.00 0.00 C ATOM 679 CE2 PHE A 43 10.796 4.487 2.156 1.00 0.00 C ATOM 680 CZ PHE A 43 12.132 4.623 1.834 1.00 0.00 C ATOM 0 H PHE A 43 7.337 5.791 -2.747 1.00 0.00 H new ATOM 0 HA PHE A 43 9.891 4.584 -2.780 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.345 6.588 -1.482 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.156 5.704 -0.545 1.00 0.00 H new ATOM 0 HD1 PHE A 43 11.816 5.745 -1.328 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.782 4.699 1.483 1.00 0.00 H new ATOM 0 HE1 PHE A 43 13.540 5.181 0.327 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.510 4.132 3.135 1.00 0.00 H new ATOM 0 HZ PHE A 43 12.891 4.376 2.561 1.00 0.00 H new ATOM 690 N TRP A 44 7.499 2.934 -1.210 1.00 0.00 N ATOM 691 CA TRP A 44 7.125 1.623 -0.684 1.00 0.00 C ATOM 692 C TRP A 44 7.354 0.544 -1.739 1.00 0.00 C ATOM 693 O TRP A 44 7.975 -0.485 -1.468 1.00 0.00 O ATOM 694 CB TRP A 44 5.652 1.624 -0.237 1.00 0.00 C ATOM 695 CG TRP A 44 5.215 0.342 0.417 1.00 0.00 C ATOM 696 CD1 TRP A 44 5.441 -0.038 1.710 1.00 0.00 C ATOM 697 CD2 TRP A 44 4.473 -0.725 -0.187 1.00 0.00 C ATOM 698 NE1 TRP A 44 4.895 -1.277 1.942 1.00 0.00 N ATOM 699 CE2 TRP A 44 4.294 -1.719 0.794 1.00 0.00 C ATOM 700 CE3 TRP A 44 3.946 -0.939 -1.461 1.00 0.00 C ATOM 701 CZ2 TRP A 44 3.607 -2.903 0.540 1.00 0.00 C ATOM 702 CZ3 TRP A 44 3.264 -2.113 -1.715 1.00 0.00 C ATOM 703 CH2 TRP A 44 3.100 -3.083 -0.718 1.00 0.00 C ATOM 0 H TRP A 44 6.741 3.616 -1.214 1.00 0.00 H new ATOM 0 HA TRP A 44 7.752 1.406 0.181 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.494 2.448 0.459 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.019 1.813 -1.104 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.972 0.551 2.443 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.931 -1.785 2.826 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.069 -0.198 -2.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.479 -3.652 1.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.851 -2.286 -2.698 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.562 -3.991 -0.947 1.00 0.00 H new ATOM 714 N LYS A 45 6.869 0.800 -2.953 1.00 0.00 N ATOM 715 CA LYS A 45 6.983 -0.163 -4.045 1.00 0.00 C ATOM 716 C LYS A 45 8.404 -0.196 -4.600 1.00 0.00 C ATOM 717 O LYS A 45 8.798 -1.166 -5.241 1.00 0.00 O ATOM 718 CB LYS A 45 5.983 0.155 -5.164 1.00 0.00 C ATOM 719 CG LYS A 45 4.546 0.303 -4.676 1.00 0.00 C ATOM 720 CD LYS A 45 3.539 0.305 -5.825 1.00 0.00 C ATOM 721 CE LYS A 45 3.009 -1.097 -6.126 1.00 0.00 C ATOM 722 NZ LYS A 45 4.095 -2.078 -6.408 1.00 0.00 N ATOM 0 H LYS A 45 6.393 1.667 -3.204 1.00 0.00 H new ATOM 0 HA LYS A 45 6.748 -1.148 -3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.286 1.077 -5.659 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.024 -0.637 -5.912 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.311 -0.513 -3.992 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.451 1.230 -4.111 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.706 0.961 -5.575 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.010 0.714 -6.719 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.420 -1.448 -5.278 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.337 -1.050 -6.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.683 -2.949 -6.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.761 -1.670 -7.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.599 -2.301 -5.526 1.00 0.00 H new ATOM 736 N ALA A 46 9.168 0.866 -4.357 1.00 0.00 N ATOM 737 CA ALA A 46 10.573 0.907 -4.754 1.00 0.00 C ATOM 738 C ALA A 46 11.380 -0.038 -3.874 1.00 0.00 C ATOM 739 O ALA A 46 12.187 -0.831 -4.363 1.00 0.00 O ATOM 740 CB ALA A 46 11.119 2.330 -4.661 1.00 0.00 C ATOM 0 H ALA A 46 8.838 1.709 -3.887 1.00 0.00 H new ATOM 0 HA ALA A 46 10.658 0.584 -5.792 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.167 2.338 -4.961 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.548 2.983 -5.321 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.033 2.686 -3.635 1.00 0.00 H new ATOM 746 N CYS A 47 11.136 0.042 -2.570 1.00 0.00 N ATOM 747 CA CYS A 47 11.768 -0.851 -1.608 1.00 0.00 C ATOM 748 C CYS A 47 11.254 -2.277 -1.809 1.00 0.00 C ATOM 749 O CYS A 47 11.996 -3.246 -1.647 1.00 0.00 O ATOM 750 CB CYS A 47 11.486 -0.371 -0.182 1.00 0.00 C ATOM 751 SG CYS A 47 12.006 1.333 0.136 1.00 0.00 S ATOM 0 H CYS A 47 10.500 0.722 -2.154 1.00 0.00 H new ATOM 0 HA CYS A 47 12.846 -0.844 -1.766 1.00 0.00 H new ATOM 0 HB2 CYS A 47 10.417 -0.457 0.015 1.00 0.00 H new ATOM 0 HB3 CYS A 47 11.994 -1.032 0.520 1.00 0.00 H new ATOM 0 HG CYS A 47 11.204 2.153 -0.476 1.00 0.00 H new ATOM 757 N GLU A 48 9.976 -2.382 -2.172 1.00 0.00 N ATOM 758 CA GLU A 48 9.361 -3.660 -2.525 1.00 0.00 C ATOM 759 C GLU A 48 10.073 -4.263 -3.738 1.00 0.00 C ATOM 760 O GLU A 48 10.470 -5.428 -3.725 1.00 0.00 O ATOM 761 CB GLU A 48 7.869 -3.451 -2.830 1.00 0.00 C ATOM 762 CG GLU A 48 7.146 -4.685 -3.362 1.00 0.00 C ATOM 763 CD GLU A 48 5.767 -4.353 -3.921 1.00 0.00 C ATOM 764 OE1 GLU A 48 5.700 -3.699 -4.988 1.00 0.00 O ATOM 765 OE2 GLU A 48 4.752 -4.746 -3.311 1.00 0.00 O ATOM 0 H GLU A 48 9.340 -1.586 -2.229 1.00 0.00 H new ATOM 0 HA GLU A 48 9.456 -4.350 -1.686 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.370 -3.119 -1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.771 -2.647 -3.559 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.750 -5.149 -4.142 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.044 -5.417 -2.561 1.00 0.00 H new ATOM 772 N ARG A 49 10.242 -3.442 -4.772 1.00 0.00 N ATOM 773 CA ARG A 49 10.927 -3.846 -5.999 1.00 0.00 C ATOM 774 C ARG A 49 12.364 -4.255 -5.699 1.00 0.00 C ATOM 775 O ARG A 49 12.906 -5.180 -6.310 1.00 0.00 O ATOM 776 CB ARG A 49 10.901 -2.689 -7.009 1.00 0.00 C ATOM 777 CG ARG A 49 11.687 -2.948 -8.288 1.00 0.00 C ATOM 778 CD ARG A 49 11.534 -1.804 -9.287 1.00 0.00 C ATOM 779 NE ARG A 49 10.150 -1.672 -9.754 1.00 0.00 N ATOM 780 CZ ARG A 49 9.703 -0.687 -10.535 1.00 0.00 C ATOM 781 NH1 ARG A 49 10.499 0.313 -10.886 1.00 0.00 N ATOM 782 NH2 ARG A 49 8.443 -0.691 -10.947 1.00 0.00 N ATOM 0 H ARG A 49 9.908 -2.478 -4.784 1.00 0.00 H new ATOM 0 HA ARG A 49 10.410 -4.705 -6.426 1.00 0.00 H new ATOM 0 HB2 ARG A 49 9.865 -2.476 -7.271 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.298 -1.795 -6.528 1.00 0.00 H new ATOM 0 HG2 ARG A 49 12.741 -3.081 -8.046 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.345 -3.877 -8.744 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.852 -0.871 -8.822 1.00 0.00 H new ATOM 0 HD3 ARG A 49 12.191 -1.975 -10.140 1.00 0.00 H new ATOM 0 HE ARG A 49 9.481 -2.384 -9.461 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.465 0.335 -10.559 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.146 1.060 -11.484 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.817 -1.446 -10.667 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.099 0.061 -11.544 1.00 0.00 H new ATOM 796 N PHE A 50 12.962 -3.560 -4.742 1.00 0.00 N ATOM 797 CA PHE A 50 14.337 -3.817 -4.331 1.00 0.00 C ATOM 798 C PHE A 50 14.464 -5.239 -3.767 1.00 0.00 C ATOM 799 O PHE A 50 15.524 -5.860 -3.854 1.00 0.00 O ATOM 800 CB PHE A 50 14.760 -2.768 -3.287 1.00 0.00 C ATOM 801 CG PHE A 50 16.247 -2.522 -3.209 1.00 0.00 C ATOM 802 CD1 PHE A 50 16.917 -1.922 -4.267 1.00 0.00 C ATOM 803 CD2 PHE A 50 16.970 -2.871 -2.079 1.00 0.00 C ATOM 804 CE1 PHE A 50 18.275 -1.681 -4.200 1.00 0.00 C ATOM 805 CE2 PHE A 50 18.329 -2.628 -2.007 1.00 0.00 C ATOM 806 CZ PHE A 50 18.981 -2.033 -3.067 1.00 0.00 C ATOM 0 H PHE A 50 12.510 -2.803 -4.229 1.00 0.00 H new ATOM 0 HA PHE A 50 14.999 -3.740 -5.194 1.00 0.00 H new ATOM 0 HB2 PHE A 50 14.261 -1.826 -3.515 1.00 0.00 H new ATOM 0 HB3 PHE A 50 14.406 -3.087 -2.307 1.00 0.00 H new ATOM 0 HD1 PHE A 50 16.369 -1.640 -5.154 1.00 0.00 H new ATOM 0 HD2 PHE A 50 16.466 -3.338 -1.246 1.00 0.00 H new ATOM 0 HE1 PHE A 50 18.784 -1.218 -5.032 1.00 0.00 H new ATOM 0 HE2 PHE A 50 18.880 -2.904 -1.120 1.00 0.00 H new ATOM 0 HZ PHE A 50 20.043 -1.843 -3.011 1.00 0.00 H new ATOM 816 N GLN A 51 13.356 -5.754 -3.220 1.00 0.00 N ATOM 817 CA GLN A 51 13.323 -7.099 -2.639 1.00 0.00 C ATOM 818 C GLN A 51 13.352 -8.164 -3.735 1.00 0.00 C ATOM 819 O GLN A 51 13.710 -9.316 -3.484 1.00 0.00 O ATOM 820 CB GLN A 51 12.061 -7.291 -1.777 1.00 0.00 C ATOM 821 CG GLN A 51 11.836 -6.189 -0.747 1.00 0.00 C ATOM 822 CD GLN A 51 12.985 -6.040 0.233 1.00 0.00 C ATOM 823 OE1 GLN A 51 13.652 -7.012 0.589 1.00 0.00 O ATOM 824 NE2 GLN A 51 13.226 -4.816 0.672 1.00 0.00 N ATOM 0 H GLN A 51 12.467 -5.256 -3.168 1.00 0.00 H new ATOM 0 HA GLN A 51 14.206 -7.208 -2.010 1.00 0.00 H new ATOM 0 HB2 GLN A 51 11.191 -7.344 -2.432 1.00 0.00 H new ATOM 0 HB3 GLN A 51 12.130 -8.248 -1.260 1.00 0.00 H new ATOM 0 HG2 GLN A 51 11.685 -5.242 -1.265 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.921 -6.400 -0.194 1.00 0.00 H new ATOM 0 HE21 GLN A 51 12.650 -4.037 0.353 1.00 0.00 H new ATOM 0 HE22 GLN A 51 13.988 -4.651 1.330 1.00 0.00 H new ATOM 833 N GLN A 52 12.953 -7.782 -4.950 1.00 0.00 N ATOM 834 CA GLN A 52 12.947 -8.710 -6.081 1.00 0.00 C ATOM 835 C GLN A 52 14.362 -8.945 -6.602 1.00 0.00 C ATOM 836 O GLN A 52 14.583 -9.836 -7.428 1.00 0.00 O ATOM 837 CB GLN A 52 12.030 -8.215 -7.215 1.00 0.00 C ATOM 838 CG GLN A 52 10.545 -8.485 -6.981 1.00 0.00 C ATOM 839 CD GLN A 52 9.947 -7.648 -5.861 1.00 0.00 C ATOM 840 OE1 GLN A 52 9.418 -6.563 -6.098 1.00 0.00 O ATOM 841 NE2 GLN A 52 10.027 -8.145 -4.636 1.00 0.00 N ATOM 0 H GLN A 52 12.631 -6.841 -5.175 1.00 0.00 H new ATOM 0 HA GLN A 52 12.550 -9.659 -5.720 1.00 0.00 H new ATOM 0 HB2 GLN A 52 12.177 -7.143 -7.344 1.00 0.00 H new ATOM 0 HB3 GLN A 52 12.332 -8.693 -8.147 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.998 -8.288 -7.903 1.00 0.00 H new ATOM 0 HG3 GLN A 52 10.408 -9.541 -6.748 1.00 0.00 H new ATOM 0 HE21 GLN A 52 10.474 -9.049 -4.480 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.642 -7.624 -3.848 1.00 0.00 H new ATOM 850 N ILE A 53 15.313 -8.146 -6.126 1.00 0.00 N ATOM 851 CA ILE A 53 16.720 -8.354 -6.449 1.00 0.00 C ATOM 852 C ILE A 53 17.308 -9.368 -5.464 1.00 0.00 C ATOM 853 O ILE A 53 17.282 -9.138 -4.257 1.00 0.00 O ATOM 854 CB ILE A 53 17.532 -7.031 -6.383 1.00 0.00 C ATOM 855 CG1 ILE A 53 16.871 -5.943 -7.252 1.00 0.00 C ATOM 856 CG2 ILE A 53 18.977 -7.274 -6.831 1.00 0.00 C ATOM 857 CD1 ILE A 53 17.574 -4.597 -7.197 1.00 0.00 C ATOM 0 H ILE A 53 15.134 -7.349 -5.515 1.00 0.00 H new ATOM 0 HA ILE A 53 16.785 -8.728 -7.471 1.00 0.00 H new ATOM 0 HB ILE A 53 17.542 -6.681 -5.351 1.00 0.00 H new ATOM 0 HG12 ILE A 53 16.844 -6.285 -8.286 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.837 -5.815 -6.932 1.00 0.00 H new ATOM 0 HG21 ILE A 53 19.536 -6.339 -6.780 1.00 0.00 H new ATOM 0 HG22 ILE A 53 19.442 -8.011 -6.176 1.00 0.00 H new ATOM 0 HG23 ILE A 53 18.983 -7.645 -7.856 1.00 0.00 H new ATOM 0 HD11 ILE A 53 17.049 -3.886 -7.834 1.00 0.00 H new ATOM 0 HD12 ILE A 53 17.578 -4.230 -6.171 1.00 0.00 H new ATOM 0 HD13 ILE A 53 18.600 -4.708 -7.547 1.00 0.00 H new ATOM 869 N PRO A 54 17.835 -10.509 -5.958 1.00 0.00 N ATOM 870 CA PRO A 54 18.301 -11.607 -5.093 1.00 0.00 C ATOM 871 C PRO A 54 19.368 -11.154 -4.092 1.00 0.00 C ATOM 872 O PRO A 54 19.129 -11.156 -2.883 1.00 0.00 O ATOM 873 CB PRO A 54 18.870 -12.641 -6.084 1.00 0.00 C ATOM 874 CG PRO A 54 19.090 -11.885 -7.353 1.00 0.00 C ATOM 875 CD PRO A 54 18.026 -10.822 -7.386 1.00 0.00 C ATOM 0 HA PRO A 54 17.496 -12.004 -4.474 1.00 0.00 H new ATOM 0 HB2 PRO A 54 19.801 -13.070 -5.714 1.00 0.00 H new ATOM 0 HB3 PRO A 54 18.175 -13.468 -6.233 1.00 0.00 H new ATOM 0 HG2 PRO A 54 20.086 -11.442 -7.377 1.00 0.00 H new ATOM 0 HG3 PRO A 54 19.013 -12.543 -8.219 1.00 0.00 H new ATOM 0 HD2 PRO A 54 18.345 -9.947 -7.953 1.00 0.00 H new ATOM 0 HD3 PRO A 54 17.107 -11.183 -7.848 1.00 0.00 H new ATOM 883 N ALA A 55 20.537 -10.773 -4.616 1.00 0.00 N ATOM 884 CA ALA A 55 21.663 -10.292 -3.807 1.00 0.00 C ATOM 885 C ALA A 55 22.921 -10.205 -4.669 1.00 0.00 C ATOM 886 O ALA A 55 23.702 -9.260 -4.557 1.00 0.00 O ATOM 887 CB ALA A 55 21.931 -11.208 -2.611 1.00 0.00 C ATOM 0 H ALA A 55 20.730 -10.789 -5.617 1.00 0.00 H new ATOM 0 HA ALA A 55 21.400 -9.305 -3.428 1.00 0.00 H new ATOM 0 HB1 ALA A 55 22.772 -10.819 -2.036 1.00 0.00 H new ATOM 0 HB2 ALA A 55 21.045 -11.247 -1.977 1.00 0.00 H new ATOM 0 HB3 ALA A 55 22.168 -12.211 -2.967 1.00 0.00 H new ATOM 893 N SER A 56 23.099 -11.212 -5.528 1.00 0.00 N ATOM 894 CA SER A 56 24.276 -11.319 -6.398 1.00 0.00 C ATOM 895 C SER A 56 24.467 -10.066 -7.258 1.00 0.00 C ATOM 896 O SER A 56 25.596 -9.694 -7.594 1.00 0.00 O ATOM 897 CB SER A 56 24.142 -12.552 -7.297 1.00 0.00 C ATOM 898 OG SER A 56 23.900 -13.719 -6.528 1.00 0.00 O ATOM 0 H SER A 56 22.433 -11.976 -5.641 1.00 0.00 H new ATOM 0 HA SER A 56 25.154 -11.418 -5.760 1.00 0.00 H new ATOM 0 HB2 SER A 56 23.327 -12.403 -8.005 1.00 0.00 H new ATOM 0 HB3 SER A 56 25.053 -12.680 -7.882 1.00 0.00 H new ATOM 0 HG SER A 56 23.817 -14.492 -7.124 1.00 0.00 H new ATOM 904 N ASP A 57 23.357 -9.431 -7.621 1.00 0.00 N ATOM 905 CA ASP A 57 23.383 -8.212 -8.430 1.00 0.00 C ATOM 906 C ASP A 57 23.766 -7.003 -7.579 1.00 0.00 C ATOM 907 O ASP A 57 22.971 -6.078 -7.407 1.00 0.00 O ATOM 908 CB ASP A 57 22.017 -7.979 -9.095 1.00 0.00 C ATOM 909 CG ASP A 57 21.751 -8.922 -10.255 1.00 0.00 C ATOM 910 OD1 ASP A 57 21.381 -10.092 -10.008 1.00 0.00 O ATOM 911 OD2 ASP A 57 21.916 -8.499 -11.420 1.00 0.00 O ATOM 0 H ASP A 57 22.420 -9.742 -7.366 1.00 0.00 H new ATOM 0 HA ASP A 57 24.136 -8.338 -9.208 1.00 0.00 H new ATOM 0 HB2 ASP A 57 21.231 -8.099 -8.349 1.00 0.00 H new ATOM 0 HB3 ASP A 57 21.964 -6.950 -9.451 1.00 0.00 H new ATOM 916 N THR A 58 24.985 -7.013 -7.051 1.00 0.00 N ATOM 917 CA THR A 58 25.478 -5.918 -6.223 1.00 0.00 C ATOM 918 C THR A 58 25.503 -4.612 -7.018 1.00 0.00 C ATOM 919 O THR A 58 25.181 -3.545 -6.493 1.00 0.00 O ATOM 920 CB THR A 58 26.892 -6.226 -5.679 1.00 0.00 C ATOM 921 OG1 THR A 58 26.897 -7.514 -5.048 1.00 0.00 O ATOM 922 CG2 THR A 58 27.349 -5.168 -4.676 1.00 0.00 C ATOM 0 H THR A 58 25.654 -7.772 -7.183 1.00 0.00 H new ATOM 0 HA THR A 58 24.797 -5.808 -5.379 1.00 0.00 H new ATOM 0 HB THR A 58 27.584 -6.219 -6.521 1.00 0.00 H new ATOM 0 HG1 THR A 58 27.795 -7.707 -4.706 1.00 0.00 H new ATOM 0 HG21 THR A 58 28.347 -5.416 -4.314 1.00 0.00 H new ATOM 0 HG22 THR A 58 27.371 -4.192 -5.161 1.00 0.00 H new ATOM 0 HG23 THR A 58 26.655 -5.139 -3.836 1.00 0.00 H new ATOM 930 N GLN A 59 25.867 -4.714 -8.296 1.00 0.00 N ATOM 931 CA GLN A 59 25.897 -3.557 -9.187 1.00 0.00 C ATOM 932 C GLN A 59 24.495 -2.968 -9.345 1.00 0.00 C ATOM 933 O GLN A 59 24.315 -1.749 -9.345 1.00 0.00 O ATOM 934 CB GLN A 59 26.468 -3.949 -10.560 1.00 0.00 C ATOM 935 CG GLN A 59 25.651 -5.014 -11.293 1.00 0.00 C ATOM 936 CD GLN A 59 26.205 -5.337 -12.669 1.00 0.00 C ATOM 937 OE1 GLN A 59 25.839 -4.705 -13.663 1.00 0.00 O ATOM 938 NE2 GLN A 59 27.082 -6.326 -12.738 1.00 0.00 N ATOM 0 H GLN A 59 26.146 -5.590 -8.738 1.00 0.00 H new ATOM 0 HA GLN A 59 26.545 -2.800 -8.745 1.00 0.00 H new ATOM 0 HB2 GLN A 59 26.528 -3.058 -11.185 1.00 0.00 H new ATOM 0 HB3 GLN A 59 27.486 -4.314 -10.428 1.00 0.00 H new ATOM 0 HG2 GLN A 59 25.627 -5.924 -10.693 1.00 0.00 H new ATOM 0 HG3 GLN A 59 24.621 -4.671 -11.392 1.00 0.00 H new ATOM 0 HE21 GLN A 59 27.358 -6.823 -11.891 1.00 0.00 H new ATOM 0 HE22 GLN A 59 27.482 -6.591 -13.638 1.00 0.00 H new ATOM 947 N GLN A 60 23.505 -3.851 -9.453 1.00 0.00 N ATOM 948 CA GLN A 60 22.114 -3.446 -9.622 1.00 0.00 C ATOM 949 C GLN A 60 21.618 -2.791 -8.337 1.00 0.00 C ATOM 950 O GLN A 60 20.989 -1.731 -8.361 1.00 0.00 O ATOM 951 CB GLN A 60 21.253 -4.670 -9.966 1.00 0.00 C ATOM 952 CG GLN A 60 19.910 -4.339 -10.605 1.00 0.00 C ATOM 953 CD GLN A 60 20.060 -3.736 -11.992 1.00 0.00 C ATOM 954 OE1 GLN A 60 20.124 -4.457 -12.987 1.00 0.00 O ATOM 955 NE2 GLN A 60 20.097 -2.415 -12.071 1.00 0.00 N ATOM 0 H GLN A 60 23.644 -4.861 -9.426 1.00 0.00 H new ATOM 0 HA GLN A 60 22.039 -2.728 -10.439 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.814 -5.314 -10.643 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.076 -5.242 -9.055 1.00 0.00 H new ATOM 0 HG2 GLN A 60 19.308 -5.246 -10.669 1.00 0.00 H new ATOM 0 HG3 GLN A 60 19.369 -3.642 -9.965 1.00 0.00 H new ATOM 0 HE21 GLN A 60 20.041 -1.852 -11.223 1.00 0.00 H new ATOM 0 HE22 GLN A 60 20.181 -1.961 -12.980 1.00 0.00 H new ATOM 964 N LEU A 61 21.936 -3.433 -7.214 1.00 0.00 N ATOM 965 CA LEU A 61 21.609 -2.909 -5.893 1.00 0.00 C ATOM 966 C LEU A 61 22.196 -1.513 -5.720 1.00 0.00 C ATOM 967 O LEU A 61 21.523 -0.599 -5.252 1.00 0.00 O ATOM 968 CB LEU A 61 22.158 -3.840 -4.799 1.00 0.00 C ATOM 969 CG LEU A 61 21.517 -5.236 -4.723 1.00 0.00 C ATOM 970 CD1 LEU A 61 22.297 -6.136 -3.767 1.00 0.00 C ATOM 971 CD2 LEU A 61 20.056 -5.134 -4.292 1.00 0.00 C ATOM 0 H LEU A 61 22.426 -4.328 -7.196 1.00 0.00 H new ATOM 0 HA LEU A 61 20.524 -2.854 -5.802 1.00 0.00 H new ATOM 0 HB2 LEU A 61 23.230 -3.961 -4.956 1.00 0.00 H new ATOM 0 HB3 LEU A 61 22.031 -3.350 -3.834 1.00 0.00 H new ATOM 0 HG LEU A 61 21.551 -5.682 -5.717 1.00 0.00 H new ATOM 0 HD11 LEU A 61 21.827 -7.119 -3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 61 23.323 -6.238 -4.119 1.00 0.00 H new ATOM 0 HD13 LEU A 61 22.298 -5.694 -2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 61 19.620 -6.132 -4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 61 19.998 -4.665 -3.310 1.00 0.00 H new ATOM 0 HD23 LEU A 61 19.505 -4.532 -5.014 1.00 0.00 H new ATOM 983 N ALA A 62 23.456 -1.361 -6.121 1.00 0.00 N ATOM 984 CA ALA A 62 24.165 -0.092 -5.999 1.00 0.00 C ATOM 985 C ALA A 62 23.464 1.009 -6.790 1.00 0.00 C ATOM 986 O ALA A 62 23.419 2.165 -6.357 1.00 0.00 O ATOM 987 CB ALA A 62 25.608 -0.250 -6.465 1.00 0.00 C ATOM 0 H ALA A 62 24.010 -2.109 -6.537 1.00 0.00 H new ATOM 0 HA ALA A 62 24.164 0.200 -4.949 1.00 0.00 H new ATOM 0 HB1 ALA A 62 26.128 0.703 -6.370 1.00 0.00 H new ATOM 0 HB2 ALA A 62 26.109 -0.999 -5.851 1.00 0.00 H new ATOM 0 HB3 ALA A 62 25.621 -0.567 -7.508 1.00 0.00 H new ATOM 993 N GLN A 63 22.915 0.644 -7.945 1.00 0.00 N ATOM 994 CA GLN A 63 22.211 1.594 -8.799 1.00 0.00 C ATOM 995 C GLN A 63 20.893 2.030 -8.160 1.00 0.00 C ATOM 996 O GLN A 63 20.703 3.210 -7.857 1.00 0.00 O ATOM 997 CB GLN A 63 21.951 0.983 -10.184 1.00 0.00 C ATOM 998 CG GLN A 63 23.218 0.713 -10.989 1.00 0.00 C ATOM 999 CD GLN A 63 22.928 0.126 -12.360 1.00 0.00 C ATOM 1000 OE1 GLN A 63 22.875 -1.094 -12.536 1.00 0.00 O ATOM 1001 NE2 GLN A 63 22.729 0.989 -13.344 1.00 0.00 N ATOM 0 H GLN A 63 22.945 -0.307 -8.312 1.00 0.00 H new ATOM 0 HA GLN A 63 22.843 2.474 -8.916 1.00 0.00 H new ATOM 0 HB2 GLN A 63 21.405 0.048 -10.061 1.00 0.00 H new ATOM 0 HB3 GLN A 63 21.308 1.655 -10.752 1.00 0.00 H new ATOM 0 HG2 GLN A 63 23.774 1.643 -11.107 1.00 0.00 H new ATOM 0 HG3 GLN A 63 23.858 0.028 -10.433 1.00 0.00 H new ATOM 0 HE21 GLN A 63 22.781 1.991 -13.162 1.00 0.00 H new ATOM 0 HE22 GLN A 63 22.524 0.652 -14.285 1.00 0.00 H new ATOM 1010 N GLU A 64 19.995 1.070 -7.941 1.00 0.00 N ATOM 1011 CA GLU A 64 18.670 1.366 -7.397 1.00 0.00 C ATOM 1012 C GLU A 64 18.756 1.996 -6.003 1.00 0.00 C ATOM 1013 O GLU A 64 17.997 2.914 -5.690 1.00 0.00 O ATOM 1014 CB GLU A 64 17.792 0.099 -7.372 1.00 0.00 C ATOM 1015 CG GLU A 64 17.040 -0.158 -8.678 1.00 0.00 C ATOM 1016 CD GLU A 64 17.953 -0.268 -9.891 1.00 0.00 C ATOM 1017 OE1 GLU A 64 18.450 -1.376 -10.165 1.00 0.00 O ATOM 1018 OE2 GLU A 64 18.160 0.751 -10.589 1.00 0.00 O ATOM 0 H GLU A 64 20.161 0.082 -8.132 1.00 0.00 H new ATOM 0 HA GLU A 64 18.202 2.096 -8.057 1.00 0.00 H new ATOM 0 HB2 GLU A 64 18.421 -0.763 -7.151 1.00 0.00 H new ATOM 0 HB3 GLU A 64 17.071 0.184 -6.559 1.00 0.00 H new ATOM 0 HG2 GLU A 64 16.464 -1.078 -8.582 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.326 0.649 -8.842 1.00 0.00 H new ATOM 1025 N ALA A 65 19.684 1.516 -5.179 1.00 0.00 N ATOM 1026 CA ALA A 65 19.865 2.060 -3.832 1.00 0.00 C ATOM 1027 C ALA A 65 20.251 3.534 -3.897 1.00 0.00 C ATOM 1028 O ALA A 65 19.682 4.371 -3.190 1.00 0.00 O ATOM 1029 CB ALA A 65 20.917 1.269 -3.057 1.00 0.00 C ATOM 0 H ALA A 65 20.320 0.755 -5.417 1.00 0.00 H new ATOM 0 HA ALA A 65 18.916 1.971 -3.304 1.00 0.00 H new ATOM 0 HB1 ALA A 65 21.031 1.695 -2.060 1.00 0.00 H new ATOM 0 HB2 ALA A 65 20.602 0.229 -2.973 1.00 0.00 H new ATOM 0 HB3 ALA A 65 21.870 1.318 -3.584 1.00 0.00 H new ATOM 1035 N ARG A 66 21.211 3.847 -4.767 1.00 0.00 N ATOM 1036 CA ARG A 66 21.674 5.220 -4.935 1.00 0.00 C ATOM 1037 C ARG A 66 20.576 6.074 -5.558 1.00 0.00 C ATOM 1038 O ARG A 66 20.426 7.252 -5.225 1.00 0.00 O ATOM 1039 CB ARG A 66 22.941 5.263 -5.801 1.00 0.00 C ATOM 1040 CG ARG A 66 23.510 6.666 -5.977 1.00 0.00 C ATOM 1041 CD ARG A 66 24.792 6.667 -6.803 1.00 0.00 C ATOM 1042 NE ARG A 66 24.598 6.083 -8.133 1.00 0.00 N ATOM 1043 CZ ARG A 66 24.184 6.766 -9.203 1.00 0.00 C ATOM 1044 NH1 ARG A 66 23.810 8.039 -9.092 1.00 0.00 N ATOM 1045 NH2 ARG A 66 24.117 6.163 -10.382 1.00 0.00 N ATOM 0 H ARG A 66 21.681 3.168 -5.365 1.00 0.00 H new ATOM 0 HA ARG A 66 21.918 5.624 -3.952 1.00 0.00 H new ATOM 0 HB2 ARG A 66 23.701 4.625 -5.350 1.00 0.00 H new ATOM 0 HB3 ARG A 66 22.715 4.845 -6.782 1.00 0.00 H new ATOM 0 HG2 ARG A 66 22.767 7.300 -6.461 1.00 0.00 H new ATOM 0 HG3 ARG A 66 23.710 7.101 -4.998 1.00 0.00 H new ATOM 0 HD2 ARG A 66 25.153 7.690 -6.907 1.00 0.00 H new ATOM 0 HD3 ARG A 66 25.564 6.109 -6.273 1.00 0.00 H new ATOM 0 HE ARG A 66 24.792 5.088 -8.249 1.00 0.00 H new ATOM 0 HH11 ARG A 66 23.838 8.501 -8.183 1.00 0.00 H new ATOM 0 HH12 ARG A 66 23.495 8.552 -9.916 1.00 0.00 H new ATOM 0 HH21 ARG A 66 24.381 5.182 -10.469 1.00 0.00 H new ATOM 0 HH22 ARG A 66 23.801 6.681 -11.202 1.00 0.00 H new ATOM 1059 N ASN A 67 19.803 5.466 -6.456 1.00 0.00 N ATOM 1060 CA ASN A 67 18.674 6.142 -7.087 1.00 0.00 C ATOM 1061 C ASN A 67 17.689 6.599 -6.019 1.00 0.00 C ATOM 1062 O ASN A 67 17.388 7.785 -5.905 1.00 0.00 O ATOM 1063 CB ASN A 67 17.966 5.215 -8.086 1.00 0.00 C ATOM 1064 CG ASN A 67 16.838 5.914 -8.834 1.00 0.00 C ATOM 1065 OD1 ASN A 67 17.049 6.465 -9.914 1.00 0.00 O ATOM 1066 ND2 ASN A 67 15.637 5.898 -8.266 1.00 0.00 N ATOM 0 H ASN A 67 19.940 4.503 -6.763 1.00 0.00 H new ATOM 0 HA ASN A 67 19.051 7.007 -7.632 1.00 0.00 H new ATOM 0 HB2 ASN A 67 18.694 4.837 -8.804 1.00 0.00 H new ATOM 0 HB3 ASN A 67 17.565 4.352 -7.554 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.849 6.353 -8.726 1.00 0.00 H new ATOM 0 HD22 ASN A 67 15.503 5.430 -7.370 1.00 0.00 H new ATOM 1073 N ILE A 68 17.217 5.643 -5.217 1.00 0.00 N ATOM 1074 CA ILE A 68 16.274 5.929 -4.137 1.00 0.00 C ATOM 1075 C ILE A 68 16.832 7.009 -3.211 1.00 0.00 C ATOM 1076 O ILE A 68 16.103 7.890 -2.753 1.00 0.00 O ATOM 1077 CB ILE A 68 15.950 4.652 -3.314 1.00 0.00 C ATOM 1078 CG1 ILE A 68 15.303 3.583 -4.214 1.00 0.00 C ATOM 1079 CG2 ILE A 68 15.039 4.981 -2.128 1.00 0.00 C ATOM 1080 CD1 ILE A 68 15.007 2.275 -3.504 1.00 0.00 C ATOM 0 H ILE A 68 17.475 4.659 -5.297 1.00 0.00 H new ATOM 0 HA ILE A 68 15.351 6.287 -4.594 1.00 0.00 H new ATOM 0 HB ILE A 68 16.885 4.255 -2.920 1.00 0.00 H new ATOM 0 HG12 ILE A 68 14.374 3.981 -4.623 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.964 3.385 -5.058 1.00 0.00 H new ATOM 0 HG21 ILE A 68 14.827 4.070 -1.568 1.00 0.00 H new ATOM 0 HG22 ILE A 68 15.535 5.700 -1.476 1.00 0.00 H new ATOM 0 HG23 ILE A 68 14.105 5.407 -2.494 1.00 0.00 H new ATOM 0 HD11 ILE A 68 14.553 1.575 -4.205 1.00 0.00 H new ATOM 0 HD12 ILE A 68 15.935 1.852 -3.119 1.00 0.00 H new ATOM 0 HD13 ILE A 68 14.321 2.457 -2.677 1.00 0.00 H new ATOM 1092 N TYR A 69 18.137 6.943 -2.958 1.00 0.00 N ATOM 1093 CA TYR A 69 18.807 7.923 -2.113 1.00 0.00 C ATOM 1094 C TYR A 69 18.671 9.329 -2.707 1.00 0.00 C ATOM 1095 O TYR A 69 18.076 10.218 -2.100 1.00 0.00 O ATOM 1096 CB TYR A 69 20.291 7.555 -1.938 1.00 0.00 C ATOM 1097 CG TYR A 69 21.050 8.491 -1.009 1.00 0.00 C ATOM 1098 CD1 TYR A 69 21.526 9.717 -1.464 1.00 0.00 C ATOM 1099 CD2 TYR A 69 21.285 8.151 0.322 1.00 0.00 C ATOM 1100 CE1 TYR A 69 22.210 10.573 -0.628 1.00 0.00 C ATOM 1101 CE2 TYR A 69 21.970 9.006 1.166 1.00 0.00 C ATOM 1102 CZ TYR A 69 22.428 10.217 0.686 1.00 0.00 C ATOM 1103 OH TYR A 69 23.111 11.070 1.522 1.00 0.00 O ATOM 0 H TYR A 69 18.751 6.218 -3.328 1.00 0.00 H new ATOM 0 HA TYR A 69 18.330 7.916 -1.133 1.00 0.00 H new ATOM 0 HB2 TYR A 69 20.360 6.539 -1.551 1.00 0.00 H new ATOM 0 HB3 TYR A 69 20.774 7.557 -2.915 1.00 0.00 H new ATOM 0 HD1 TYR A 69 21.356 10.003 -2.492 1.00 0.00 H new ATOM 0 HD2 TYR A 69 20.927 7.205 0.700 1.00 0.00 H new ATOM 0 HE1 TYR A 69 22.574 11.519 -1.001 1.00 0.00 H new ATOM 0 HE2 TYR A 69 22.146 8.728 2.195 1.00 0.00 H new ATOM 0 HH TYR A 69 23.178 10.670 2.414 1.00 0.00 H new ATOM 1113 N GLN A 70 19.206 9.518 -3.908 1.00 0.00 N ATOM 1114 CA GLN A 70 19.261 10.840 -4.532 1.00 0.00 C ATOM 1115 C GLN A 70 17.886 11.309 -5.021 1.00 0.00 C ATOM 1116 O GLN A 70 17.693 12.499 -5.284 1.00 0.00 O ATOM 1117 CB GLN A 70 20.266 10.837 -5.692 1.00 0.00 C ATOM 1118 CG GLN A 70 21.723 10.723 -5.249 1.00 0.00 C ATOM 1119 CD GLN A 70 22.688 10.671 -6.423 1.00 0.00 C ATOM 1120 OE1 GLN A 70 23.027 9.597 -6.926 1.00 0.00 O ATOM 1121 NE2 GLN A 70 23.134 11.833 -6.876 1.00 0.00 N ATOM 0 H GLN A 70 19.610 8.771 -4.473 1.00 0.00 H new ATOM 0 HA GLN A 70 19.590 11.546 -3.769 1.00 0.00 H new ATOM 0 HB2 GLN A 70 20.033 10.007 -6.359 1.00 0.00 H new ATOM 0 HB3 GLN A 70 20.143 11.754 -6.269 1.00 0.00 H new ATOM 0 HG2 GLN A 70 21.974 11.573 -4.615 1.00 0.00 H new ATOM 0 HG3 GLN A 70 21.846 9.826 -4.643 1.00 0.00 H new ATOM 0 HE21 GLN A 70 22.832 12.702 -6.435 1.00 0.00 H new ATOM 0 HE22 GLN A 70 23.779 11.859 -7.666 1.00 0.00 H new ATOM 1130 N GLU A 71 16.935 10.387 -5.136 1.00 0.00 N ATOM 1131 CA GLU A 71 15.615 10.710 -5.682 1.00 0.00 C ATOM 1132 C GLU A 71 14.573 10.916 -4.576 1.00 0.00 C ATOM 1133 O GLU A 71 13.702 11.784 -4.695 1.00 0.00 O ATOM 1134 CB GLU A 71 15.175 9.602 -6.653 1.00 0.00 C ATOM 1135 CG GLU A 71 13.870 9.887 -7.388 1.00 0.00 C ATOM 1136 CD GLU A 71 13.628 8.923 -8.541 1.00 0.00 C ATOM 1137 OE1 GLU A 71 13.245 7.762 -8.288 1.00 0.00 O ATOM 1138 OE2 GLU A 71 13.828 9.319 -9.711 1.00 0.00 O ATOM 0 H GLU A 71 17.050 9.412 -4.860 1.00 0.00 H new ATOM 0 HA GLU A 71 15.690 11.653 -6.223 1.00 0.00 H new ATOM 0 HB2 GLU A 71 15.965 9.446 -7.388 1.00 0.00 H new ATOM 0 HB3 GLU A 71 15.068 8.671 -6.097 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.039 9.823 -6.685 1.00 0.00 H new ATOM 0 HG3 GLU A 71 13.887 10.908 -7.770 1.00 0.00 H new ATOM 1145 N PHE A 72 14.671 10.144 -3.491 1.00 0.00 N ATOM 1146 CA PHE A 72 13.673 10.197 -2.412 1.00 0.00 C ATOM 1147 C PHE A 72 14.279 10.616 -1.066 1.00 0.00 C ATOM 1148 O PHE A 72 13.562 11.093 -0.184 1.00 0.00 O ATOM 1149 CB PHE A 72 12.997 8.826 -2.236 1.00 0.00 C ATOM 1150 CG PHE A 72 12.237 8.336 -3.445 1.00 0.00 C ATOM 1151 CD1 PHE A 72 10.939 8.763 -3.688 1.00 0.00 C ATOM 1152 CD2 PHE A 72 12.816 7.435 -4.329 1.00 0.00 C ATOM 1153 CE1 PHE A 72 10.238 8.304 -4.788 1.00 0.00 C ATOM 1154 CE2 PHE A 72 12.119 6.974 -5.428 1.00 0.00 C ATOM 1155 CZ PHE A 72 10.828 7.409 -5.658 1.00 0.00 C ATOM 0 H PHE A 72 15.426 9.477 -3.334 1.00 0.00 H new ATOM 0 HA PHE A 72 12.943 10.950 -2.709 1.00 0.00 H new ATOM 0 HB2 PHE A 72 13.760 8.090 -1.981 1.00 0.00 H new ATOM 0 HB3 PHE A 72 12.311 8.880 -1.390 1.00 0.00 H new ATOM 0 HD1 PHE A 72 10.471 9.462 -3.010 1.00 0.00 H new ATOM 0 HD2 PHE A 72 13.825 7.090 -4.155 1.00 0.00 H new ATOM 0 HE1 PHE A 72 9.229 8.646 -4.967 1.00 0.00 H new ATOM 0 HE2 PHE A 72 12.583 6.274 -6.107 1.00 0.00 H new ATOM 0 HZ PHE A 72 10.281 7.049 -6.517 1.00 0.00 H new ATOM 1165 N LEU A 73 15.587 10.427 -0.892 1.00 0.00 N ATOM 1166 CA LEU A 73 16.206 10.561 0.437 1.00 0.00 C ATOM 1167 C LEU A 73 17.202 11.722 0.522 1.00 0.00 C ATOM 1168 O LEU A 73 17.656 12.071 1.614 1.00 0.00 O ATOM 1169 CB LEU A 73 16.908 9.247 0.808 1.00 0.00 C ATOM 1170 CG LEU A 73 16.023 7.990 0.725 1.00 0.00 C ATOM 1171 CD1 LEU A 73 16.833 6.733 1.019 1.00 0.00 C ATOM 1172 CD2 LEU A 73 14.833 8.101 1.675 1.00 0.00 C ATOM 0 H LEU A 73 16.236 10.184 -1.641 1.00 0.00 H new ATOM 0 HA LEU A 73 15.405 10.781 1.143 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.766 9.113 0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.295 9.334 1.823 1.00 0.00 H new ATOM 0 HG LEU A 73 15.640 7.915 -0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 73 16.185 5.859 0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 73 17.640 6.642 0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 73 17.255 6.798 2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 73 14.222 7.202 1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 73 15.193 8.210 2.698 1.00 0.00 H new ATOM 0 HD23 LEU A 73 14.233 8.971 1.407 1.00 0.00 H new ATOM 1184 N SER A 74 17.551 12.312 -0.612 1.00 0.00 N ATOM 1185 CA SER A 74 18.537 13.393 -0.634 1.00 0.00 C ATOM 1186 C SER A 74 17.917 14.720 -0.186 1.00 0.00 C ATOM 1187 O SER A 74 16.710 14.934 -0.323 1.00 0.00 O ATOM 1188 CB SER A 74 19.143 13.534 -2.035 1.00 0.00 C ATOM 1189 OG SER A 74 20.099 14.583 -2.079 1.00 0.00 O ATOM 0 H SER A 74 17.171 12.065 -1.526 1.00 0.00 H new ATOM 0 HA SER A 74 19.330 13.138 0.069 1.00 0.00 H new ATOM 0 HB2 SER A 74 19.616 12.596 -2.326 1.00 0.00 H new ATOM 0 HB3 SER A 74 18.351 13.730 -2.758 1.00 0.00 H new ATOM 0 HG SER A 74 20.470 14.649 -2.983 1.00 0.00 H new ATOM 1195 N SER A 75 18.762 15.611 0.329 1.00 0.00 N ATOM 1196 CA SER A 75 18.331 16.921 0.817 1.00 0.00 C ATOM 1197 C SER A 75 17.777 17.771 -0.331 1.00 0.00 C ATOM 1198 O SER A 75 16.976 18.687 -0.120 1.00 0.00 O ATOM 1199 CB SER A 75 19.517 17.629 1.489 1.00 0.00 C ATOM 1200 OG SER A 75 19.135 18.858 2.082 1.00 0.00 O ATOM 0 H SER A 75 19.764 15.446 0.420 1.00 0.00 H new ATOM 0 HA SER A 75 17.533 16.785 1.547 1.00 0.00 H new ATOM 0 HB2 SER A 75 19.945 16.977 2.250 1.00 0.00 H new ATOM 0 HB3 SER A 75 20.297 17.810 0.750 1.00 0.00 H new ATOM 0 HG SER A 75 19.916 19.276 2.500 1.00 0.00 H new ATOM 1206 N GLN A 76 18.207 17.454 -1.554 1.00 0.00 N ATOM 1207 CA GLN A 76 17.749 18.157 -2.752 1.00 0.00 C ATOM 1208 C GLN A 76 17.025 17.190 -3.686 1.00 0.00 C ATOM 1209 O GLN A 76 16.907 17.436 -4.888 1.00 0.00 O ATOM 1210 CB GLN A 76 18.936 18.809 -3.475 1.00 0.00 C ATOM 1211 CG GLN A 76 19.662 19.859 -2.638 1.00 0.00 C ATOM 1212 CD GLN A 76 20.818 20.520 -3.374 1.00 0.00 C ATOM 1213 OE1 GLN A 76 21.471 19.780 -4.260 1.00 0.00 O flip ATOM 1214 NE2 GLN A 76 21.129 21.689 -3.137 1.00 0.00 N flip ATOM 0 H GLN A 76 18.878 16.708 -1.740 1.00 0.00 H new ATOM 0 HA GLN A 76 17.053 18.941 -2.452 1.00 0.00 H new ATOM 0 HB2 GLN A 76 19.645 18.033 -3.763 1.00 0.00 H new ATOM 0 HB3 GLN A 76 18.580 19.273 -4.395 1.00 0.00 H new ATOM 0 HG2 GLN A 76 18.950 20.625 -2.331 1.00 0.00 H new ATOM 0 HG3 GLN A 76 20.039 19.392 -1.728 1.00 0.00 H new ATOM 0 HE21 GLN A 76 20.603 22.227 -2.448 1.00 0.00 H new ATOM 0 HE22 GLN A 76 21.912 22.118 -3.629 1.00 0.00 H new ATOM 1223 N ALA A 77 16.523 16.096 -3.116 1.00 0.00 N ATOM 1224 CA ALA A 77 15.834 15.064 -3.886 1.00 0.00 C ATOM 1225 C ALA A 77 14.532 15.593 -4.480 1.00 0.00 C ATOM 1226 O ALA A 77 14.080 16.689 -4.134 1.00 0.00 O ATOM 1227 CB ALA A 77 15.556 13.853 -3.004 1.00 0.00 C ATOM 0 H ALA A 77 16.582 15.901 -2.116 1.00 0.00 H new ATOM 0 HA ALA A 77 16.482 14.767 -4.710 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.042 13.089 -3.587 1.00 0.00 H new ATOM 0 HB2 ALA A 77 16.498 13.452 -2.630 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.929 14.151 -2.164 1.00 0.00 H new ATOM 1233 N LEU A 78 13.932 14.804 -5.368 1.00 0.00 N ATOM 1234 CA LEU A 78 12.662 15.170 -5.989 1.00 0.00 C ATOM 1235 C LEU A 78 11.602 15.359 -4.910 1.00 0.00 C ATOM 1236 O LEU A 78 10.973 16.416 -4.817 1.00 0.00 O ATOM 1237 CB LEU A 78 12.209 14.092 -6.994 1.00 0.00 C ATOM 1238 CG LEU A 78 13.001 14.019 -8.317 1.00 0.00 C ATOM 1239 CD1 LEU A 78 14.466 13.663 -8.074 1.00 0.00 C ATOM 1240 CD2 LEU A 78 12.354 13.018 -9.273 1.00 0.00 C ATOM 0 H LEU A 78 14.306 13.906 -5.674 1.00 0.00 H new ATOM 0 HA LEU A 78 12.797 16.104 -6.534 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.269 13.120 -6.504 1.00 0.00 H new ATOM 0 HB3 LEU A 78 11.159 14.265 -7.232 1.00 0.00 H new ATOM 0 HG LEU A 78 12.974 15.007 -8.776 1.00 0.00 H new ATOM 0 HD11 LEU A 78 14.993 13.620 -9.027 1.00 0.00 H new ATOM 0 HD12 LEU A 78 14.924 14.422 -7.440 1.00 0.00 H new ATOM 0 HD13 LEU A 78 14.528 12.693 -7.582 1.00 0.00 H new ATOM 0 HD21 LEU A 78 12.925 12.979 -10.201 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.342 12.030 -8.812 1.00 0.00 H new ATOM 0 HD23 LEU A 78 11.332 13.329 -9.489 1.00 0.00 H new ATOM 1252 N SER A 79 11.447 14.333 -4.081 1.00 0.00 N ATOM 1253 CA SER A 79 10.488 14.354 -2.987 1.00 0.00 C ATOM 1254 C SER A 79 11.053 13.617 -1.772 1.00 0.00 C ATOM 1255 O SER A 79 11.038 12.384 -1.727 1.00 0.00 O ATOM 1256 CB SER A 79 9.175 13.704 -3.431 1.00 0.00 C ATOM 1257 OG SER A 79 8.680 14.298 -4.621 1.00 0.00 O ATOM 0 H SER A 79 11.981 13.467 -4.149 1.00 0.00 H new ATOM 0 HA SER A 79 10.296 15.390 -2.709 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.332 12.638 -3.593 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.433 13.801 -2.638 1.00 0.00 H new ATOM 0 HG SER A 79 8.410 15.222 -4.437 1.00 0.00 H new ATOM 1263 N PRO A 80 11.602 14.356 -0.790 1.00 0.00 N ATOM 1264 CA PRO A 80 12.100 13.764 0.456 1.00 0.00 C ATOM 1265 C PRO A 80 10.975 13.087 1.242 1.00 0.00 C ATOM 1266 O PRO A 80 10.187 13.754 1.919 1.00 0.00 O ATOM 1267 CB PRO A 80 12.678 14.964 1.231 1.00 0.00 C ATOM 1268 CG PRO A 80 12.882 16.026 0.200 1.00 0.00 C ATOM 1269 CD PRO A 80 11.796 15.816 -0.819 1.00 0.00 C ATOM 0 HA PRO A 80 12.839 12.982 0.280 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.993 15.297 2.011 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.616 14.703 1.720 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.817 17.020 0.643 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.869 15.945 -0.256 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.884 16.351 -0.555 1.00 0.00 H new ATOM 0 HD3 PRO A 80 12.095 16.165 -1.807 1.00 0.00 H new ATOM 1277 N VAL A 81 10.888 11.763 1.116 1.00 0.00 N ATOM 1278 CA VAL A 81 9.844 10.986 1.785 1.00 0.00 C ATOM 1279 C VAL A 81 9.966 11.092 3.308 1.00 0.00 C ATOM 1280 O VAL A 81 11.074 11.094 3.858 1.00 0.00 O ATOM 1281 CB VAL A 81 9.875 9.494 1.359 1.00 0.00 C ATOM 1282 CG1 VAL A 81 9.576 9.355 -0.134 1.00 0.00 C ATOM 1283 CG2 VAL A 81 11.218 8.851 1.712 1.00 0.00 C ATOM 0 H VAL A 81 11.530 11.204 0.555 1.00 0.00 H new ATOM 0 HA VAL A 81 8.889 11.410 1.476 1.00 0.00 H new ATOM 0 HB VAL A 81 9.098 8.966 1.912 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.602 8.302 -0.414 1.00 0.00 H new ATOM 0 HG12 VAL A 81 8.588 9.762 -0.347 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.325 9.902 -0.707 1.00 0.00 H new ATOM 0 HG21 VAL A 81 11.213 7.806 1.403 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.021 9.378 1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 81 11.378 8.910 2.789 1.00 0.00 H new ATOM 1293 N ASN A 82 8.822 11.187 3.983 1.00 0.00 N ATOM 1294 CA ASN A 82 8.796 11.356 5.434 1.00 0.00 C ATOM 1295 C ASN A 82 9.087 10.035 6.139 1.00 0.00 C ATOM 1296 O ASN A 82 8.195 9.211 6.335 1.00 0.00 O ATOM 1297 CB ASN A 82 7.441 11.911 5.901 1.00 0.00 C ATOM 1298 CG ASN A 82 7.420 12.209 7.396 1.00 0.00 C ATOM 1299 OD1 ASN A 82 8.437 12.592 7.981 1.00 0.00 O ATOM 1300 ND2 ASN A 82 6.269 12.041 8.026 1.00 0.00 N ATOM 0 H ASN A 82 7.900 11.150 3.548 1.00 0.00 H new ATOM 0 HA ASN A 82 9.574 12.073 5.696 1.00 0.00 H new ATOM 0 HB2 ASN A 82 7.215 12.823 5.348 1.00 0.00 H new ATOM 0 HB3 ASN A 82 6.656 11.192 5.665 1.00 0.00 H new ATOM 0 HD21 ASN A 82 6.203 12.229 9.026 1.00 0.00 H new ATOM 0 HD22 ASN A 82 5.448 11.723 7.511 1.00 0.00 H new ATOM 1307 N ILE A 83 10.352 9.829 6.481 1.00 0.00 N ATOM 1308 CA ILE A 83 10.784 8.659 7.244 1.00 0.00 C ATOM 1309 C ILE A 83 11.721 9.109 8.364 1.00 0.00 C ATOM 1310 O ILE A 83 11.788 10.298 8.674 1.00 0.00 O ATOM 1311 CB ILE A 83 11.508 7.616 6.346 1.00 0.00 C ATOM 1312 CG1 ILE A 83 12.764 8.235 5.706 1.00 0.00 C ATOM 1313 CG2 ILE A 83 10.566 7.076 5.275 1.00 0.00 C ATOM 1314 CD1 ILE A 83 13.552 7.273 4.844 1.00 0.00 C ATOM 0 H ILE A 83 11.110 10.467 6.238 1.00 0.00 H new ATOM 0 HA ILE A 83 9.897 8.179 7.659 1.00 0.00 H new ATOM 0 HB ILE A 83 11.819 6.781 6.974 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.466 9.090 5.099 1.00 0.00 H new ATOM 0 HG13 ILE A 83 13.413 8.614 6.496 1.00 0.00 H new ATOM 0 HG21 ILE A 83 11.094 6.348 4.659 1.00 0.00 H new ATOM 0 HG22 ILE A 83 9.711 6.596 5.751 1.00 0.00 H new ATOM 0 HG23 ILE A 83 10.218 7.897 4.648 1.00 0.00 H new ATOM 0 HD11 ILE A 83 14.421 7.784 4.429 1.00 0.00 H new ATOM 0 HD12 ILE A 83 13.882 6.429 5.449 1.00 0.00 H new ATOM 0 HD13 ILE A 83 12.921 6.912 4.031 1.00 0.00 H new ATOM 1326 N ASP A 84 12.456 8.171 8.951 1.00 0.00 N ATOM 1327 CA ASP A 84 13.404 8.478 10.025 1.00 0.00 C ATOM 1328 C ASP A 84 14.724 8.975 9.431 1.00 0.00 C ATOM 1329 O ASP A 84 15.808 8.618 9.891 1.00 0.00 O ATOM 1330 CB ASP A 84 13.636 7.229 10.891 1.00 0.00 C ATOM 1331 CG ASP A 84 14.175 6.050 10.093 1.00 0.00 C ATOM 1332 OD1 ASP A 84 13.434 5.524 9.235 1.00 0.00 O ATOM 1333 OD2 ASP A 84 15.332 5.640 10.322 1.00 0.00 O ATOM 0 H ASP A 84 12.415 7.183 8.701 1.00 0.00 H new ATOM 0 HA ASP A 84 12.990 9.265 10.655 1.00 0.00 H new ATOM 0 HB2 ASP A 84 14.336 7.472 11.690 1.00 0.00 H new ATOM 0 HB3 ASP A 84 12.698 6.942 11.366 1.00 0.00 H new ATOM 1338 N ARG A 85 14.610 9.852 8.435 1.00 0.00 N ATOM 1339 CA ARG A 85 15.754 10.307 7.645 1.00 0.00 C ATOM 1340 C ARG A 85 16.689 11.194 8.472 1.00 0.00 C ATOM 1341 O ARG A 85 17.781 11.546 8.025 1.00 0.00 O ATOM 1342 CB ARG A 85 15.249 11.058 6.405 1.00 0.00 C ATOM 1343 CG ARG A 85 16.333 11.405 5.387 1.00 0.00 C ATOM 1344 CD ARG A 85 15.760 12.152 4.186 1.00 0.00 C ATOM 1345 NE ARG A 85 15.213 13.459 4.558 1.00 0.00 N ATOM 1346 CZ ARG A 85 13.924 13.794 4.476 1.00 0.00 C ATOM 1347 NH1 ARG A 85 13.019 12.913 4.059 1.00 0.00 N ATOM 1348 NH2 ARG A 85 13.538 15.014 4.814 1.00 0.00 N ATOM 0 H ARG A 85 13.722 10.267 8.153 1.00 0.00 H new ATOM 0 HA ARG A 85 16.330 9.436 7.332 1.00 0.00 H new ATOM 0 HB2 ARG A 85 14.488 10.451 5.914 1.00 0.00 H new ATOM 0 HB3 ARG A 85 14.763 11.979 6.727 1.00 0.00 H new ATOM 0 HG2 ARG A 85 17.099 12.016 5.865 1.00 0.00 H new ATOM 0 HG3 ARG A 85 16.821 10.491 5.048 1.00 0.00 H new ATOM 0 HD2 ARG A 85 16.541 12.286 3.437 1.00 0.00 H new ATOM 0 HD3 ARG A 85 14.977 11.550 3.725 1.00 0.00 H new ATOM 0 HE ARG A 85 15.864 14.163 4.905 1.00 0.00 H new ATOM 0 HH11 ARG A 85 13.308 11.970 3.798 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.036 13.180 4.000 1.00 0.00 H new ATOM 0 HH21 ARG A 85 14.225 15.695 5.136 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.553 15.273 4.752 1.00 0.00 H new ATOM 1362 N GLN A 86 16.250 11.559 9.675 1.00 0.00 N ATOM 1363 CA GLN A 86 17.095 12.307 10.604 1.00 0.00 C ATOM 1364 C GLN A 86 18.248 11.421 11.069 1.00 0.00 C ATOM 1365 O GLN A 86 19.323 11.907 11.432 1.00 0.00 O ATOM 1366 CB GLN A 86 16.291 12.810 11.818 1.00 0.00 C ATOM 1367 CG GLN A 86 15.229 13.864 11.489 1.00 0.00 C ATOM 1368 CD GLN A 86 13.894 13.280 11.044 1.00 0.00 C ATOM 1369 OE1 GLN A 86 13.824 12.191 10.472 1.00 0.00 O ATOM 1370 NE2 GLN A 86 12.818 14.007 11.303 1.00 0.00 N ATOM 0 H GLN A 86 15.317 11.350 10.029 1.00 0.00 H new ATOM 0 HA GLN A 86 17.488 13.180 10.083 1.00 0.00 H new ATOM 0 HB2 GLN A 86 15.804 11.958 12.292 1.00 0.00 H new ATOM 0 HB3 GLN A 86 16.984 13.228 12.548 1.00 0.00 H new ATOM 0 HG2 GLN A 86 15.066 14.488 12.368 1.00 0.00 H new ATOM 0 HG3 GLN A 86 15.610 14.515 10.702 1.00 0.00 H new ATOM 0 HE21 GLN A 86 12.911 14.905 11.778 1.00 0.00 H new ATOM 0 HE22 GLN A 86 11.896 13.669 11.027 1.00 0.00 H new ATOM 1379 N ALA A 87 18.007 10.112 11.044 1.00 0.00 N ATOM 1380 CA ALA A 87 19.021 9.119 11.379 1.00 0.00 C ATOM 1381 C ALA A 87 19.253 8.190 10.188 1.00 0.00 C ATOM 1382 O ALA A 87 20.331 8.194 9.590 1.00 0.00 O ATOM 1383 CB ALA A 87 18.600 8.323 12.612 1.00 0.00 C ATOM 0 H ALA A 87 17.104 9.712 10.791 1.00 0.00 H new ATOM 0 HA ALA A 87 19.956 9.630 11.609 1.00 0.00 H new ATOM 0 HB1 ALA A 87 19.367 7.586 12.849 1.00 0.00 H new ATOM 0 HB2 ALA A 87 18.474 9.000 13.457 1.00 0.00 H new ATOM 0 HB3 ALA A 87 17.657 7.814 12.412 1.00 0.00 H new ATOM 1389 N TRP A 88 18.221 7.413 9.843 1.00 0.00 N ATOM 1390 CA TRP A 88 18.276 6.467 8.726 1.00 0.00 C ATOM 1391 C TRP A 88 19.461 5.489 8.884 1.00 0.00 C ATOM 1392 O TRP A 88 20.140 5.480 9.917 1.00 0.00 O ATOM 1393 CB TRP A 88 18.350 7.240 7.393 1.00 0.00 C ATOM 1394 CG TRP A 88 18.059 6.393 6.186 1.00 0.00 C ATOM 1395 CD1 TRP A 88 16.903 5.715 5.924 1.00 0.00 C ATOM 1396 CD2 TRP A 88 18.933 6.137 5.078 1.00 0.00 C ATOM 1397 NE1 TRP A 88 17.014 5.035 4.737 1.00 0.00 N ATOM 1398 CE2 TRP A 88 18.248 5.282 4.196 1.00 0.00 C ATOM 1399 CE3 TRP A 88 20.230 6.541 4.749 1.00 0.00 C ATOM 1400 CZ2 TRP A 88 18.814 4.828 3.010 1.00 0.00 C ATOM 1401 CZ3 TRP A 88 20.789 6.089 3.567 1.00 0.00 C ATOM 1402 CH2 TRP A 88 20.079 5.241 2.712 1.00 0.00 C ATOM 0 H TRP A 88 17.325 7.423 10.330 1.00 0.00 H new ATOM 0 HA TRP A 88 17.367 5.866 8.725 1.00 0.00 H new ATOM 0 HB2 TRP A 88 17.642 8.068 7.424 1.00 0.00 H new ATOM 0 HB3 TRP A 88 19.344 7.674 7.290 1.00 0.00 H new ATOM 0 HD1 TRP A 88 16.029 5.714 6.558 1.00 0.00 H new ATOM 0 HE1 TRP A 88 16.294 4.442 4.324 1.00 0.00 H new ATOM 0 HE3 TRP A 88 20.786 7.194 5.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 18.270 4.171 2.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 21.790 6.396 3.301 1.00 0.00 H new ATOM 0 HH2 TRP A 88 20.542 4.906 1.796 1.00 0.00 H new ATOM 1413 N LEU A 89 19.688 4.645 7.877 1.00 0.00 N ATOM 1414 CA LEU A 89 20.813 3.717 7.893 1.00 0.00 C ATOM 1415 C LEU A 89 22.115 4.493 7.690 1.00 0.00 C ATOM 1416 O LEU A 89 22.857 4.738 8.645 1.00 0.00 O ATOM 1417 CB LEU A 89 20.653 2.627 6.816 1.00 0.00 C ATOM 1418 CG LEU A 89 19.454 1.669 6.990 1.00 0.00 C ATOM 1419 CD1 LEU A 89 18.130 2.372 6.697 1.00 0.00 C ATOM 1420 CD2 LEU A 89 19.613 0.436 6.101 1.00 0.00 C ATOM 0 H LEU A 89 19.106 4.587 7.041 1.00 0.00 H new ATOM 0 HA LEU A 89 20.840 3.216 8.861 1.00 0.00 H new ATOM 0 HB2 LEU A 89 20.564 3.115 5.845 1.00 0.00 H new ATOM 0 HB3 LEU A 89 21.566 2.032 6.792 1.00 0.00 H new ATOM 0 HG LEU A 89 19.438 1.347 8.031 1.00 0.00 H new ATOM 0 HD11 LEU A 89 17.308 1.669 6.829 1.00 0.00 H new ATOM 0 HD12 LEU A 89 18.004 3.211 7.382 1.00 0.00 H new ATOM 0 HD13 LEU A 89 18.132 2.739 5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 89 18.758 -0.225 6.239 1.00 0.00 H new ATOM 0 HD22 LEU A 89 19.668 0.745 5.057 1.00 0.00 H new ATOM 0 HD23 LEU A 89 20.527 -0.092 6.372 1.00 0.00 H new ATOM 1432 N GLY A 90 22.380 4.906 6.451 1.00 0.00 N ATOM 1433 CA GLY A 90 23.532 5.752 6.185 1.00 0.00 C ATOM 1434 C GLY A 90 24.217 5.454 4.862 1.00 0.00 C ATOM 1435 O GLY A 90 23.708 4.692 4.039 1.00 0.00 O ATOM 0 H GLY A 90 21.820 4.671 5.631 1.00 0.00 H new ATOM 0 HA2 GLY A 90 23.215 6.795 6.193 1.00 0.00 H new ATOM 0 HA3 GLY A 90 24.254 5.632 6.993 1.00 0.00 H new ATOM 1439 N GLU A 91 25.373 6.085 4.670 1.00 0.00 N ATOM 1440 CA GLU A 91 26.202 5.923 3.473 1.00 0.00 C ATOM 1441 C GLU A 91 26.506 4.449 3.171 1.00 0.00 C ATOM 1442 O GLU A 91 26.735 4.084 2.015 1.00 0.00 O ATOM 1443 CB GLU A 91 27.524 6.686 3.666 1.00 0.00 C ATOM 1444 CG GLU A 91 28.382 6.799 2.408 1.00 0.00 C ATOM 1445 CD GLU A 91 27.837 7.812 1.414 1.00 0.00 C ATOM 1446 OE1 GLU A 91 27.008 7.440 0.561 1.00 0.00 O ATOM 1447 OE2 GLU A 91 28.233 9.000 1.490 1.00 0.00 O ATOM 0 H GLU A 91 25.768 6.734 5.351 1.00 0.00 H new ATOM 0 HA GLU A 91 25.644 6.324 2.627 1.00 0.00 H new ATOM 0 HB2 GLU A 91 27.300 7.689 4.028 1.00 0.00 H new ATOM 0 HB3 GLU A 91 28.105 6.189 4.443 1.00 0.00 H new ATOM 0 HG2 GLU A 91 29.396 7.082 2.689 1.00 0.00 H new ATOM 0 HG3 GLU A 91 28.445 5.823 1.928 1.00 0.00 H new ATOM 1454 N GLU A 92 26.491 3.597 4.198 1.00 0.00 N ATOM 1455 CA GLU A 92 26.884 2.199 4.027 1.00 0.00 C ATOM 1456 C GLU A 92 25.858 1.439 3.190 1.00 0.00 C ATOM 1457 O GLU A 92 26.133 0.340 2.707 1.00 0.00 O ATOM 1458 CB GLU A 92 27.157 1.515 5.384 1.00 0.00 C ATOM 1459 CG GLU A 92 26.106 1.752 6.468 1.00 0.00 C ATOM 1460 CD GLU A 92 24.811 0.986 6.249 1.00 0.00 C ATOM 1461 OE1 GLU A 92 24.832 -0.264 6.317 1.00 0.00 O ATOM 1462 OE2 GLU A 92 23.767 1.629 6.038 1.00 0.00 O ATOM 0 H GLU A 92 26.214 3.848 5.147 1.00 0.00 H new ATOM 0 HA GLU A 92 27.824 2.180 3.476 1.00 0.00 H new ATOM 0 HB2 GLU A 92 27.245 0.441 5.218 1.00 0.00 H new ATOM 0 HB3 GLU A 92 28.121 1.860 5.757 1.00 0.00 H new ATOM 0 HG2 GLU A 92 26.525 1.470 7.434 1.00 0.00 H new ATOM 0 HG3 GLU A 92 25.882 2.818 6.517 1.00 0.00 H new ATOM 1469 N VAL A 93 24.687 2.044 2.999 1.00 0.00 N ATOM 1470 CA VAL A 93 23.700 1.515 2.068 1.00 0.00 C ATOM 1471 C VAL A 93 24.221 1.628 0.635 1.00 0.00 C ATOM 1472 O VAL A 93 23.963 0.768 -0.209 1.00 0.00 O ATOM 1473 CB VAL A 93 22.340 2.255 2.179 1.00 0.00 C ATOM 1474 CG1 VAL A 93 21.345 1.742 1.136 1.00 0.00 C ATOM 1475 CG2 VAL A 93 21.763 2.109 3.582 1.00 0.00 C ATOM 0 H VAL A 93 24.402 2.899 3.477 1.00 0.00 H new ATOM 0 HA VAL A 93 23.537 0.469 2.327 1.00 0.00 H new ATOM 0 HB VAL A 93 22.518 3.313 1.984 1.00 0.00 H new ATOM 0 HG11 VAL A 93 20.402 2.279 1.238 1.00 0.00 H new ATOM 0 HG12 VAL A 93 21.749 1.905 0.137 1.00 0.00 H new ATOM 0 HG13 VAL A 93 21.174 0.676 1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 93 20.810 2.634 3.640 1.00 0.00 H new ATOM 0 HG22 VAL A 93 21.609 1.053 3.804 1.00 0.00 H new ATOM 0 HG23 VAL A 93 22.457 2.535 4.307 1.00 0.00 H new ATOM 1485 N LEU A 94 24.964 2.703 0.381 1.00 0.00 N ATOM 1486 CA LEU A 94 25.532 2.968 -0.937 1.00 0.00 C ATOM 1487 C LEU A 94 26.911 2.318 -1.054 1.00 0.00 C ATOM 1488 O LEU A 94 27.357 1.966 -2.150 1.00 0.00 O ATOM 1489 CB LEU A 94 25.640 4.485 -1.190 1.00 0.00 C ATOM 1490 CG LEU A 94 24.323 5.285 -1.094 1.00 0.00 C ATOM 1491 CD1 LEU A 94 23.209 4.595 -1.874 1.00 0.00 C ATOM 1492 CD2 LEU A 94 23.914 5.514 0.363 1.00 0.00 C ATOM 0 H LEU A 94 25.188 3.411 1.080 1.00 0.00 H new ATOM 0 HA LEU A 94 24.870 2.539 -1.690 1.00 0.00 H new ATOM 0 HB2 LEU A 94 26.348 4.903 -0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 94 26.063 4.638 -2.183 1.00 0.00 H new ATOM 0 HG LEU A 94 24.495 6.263 -1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 94 22.292 5.178 -1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 94 23.495 4.515 -2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 94 23.043 3.598 -1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 94 22.983 6.080 0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 94 23.771 4.553 0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 94 24.696 6.073 0.877 1.00 0.00 H new ATOM 1504 N ALA A 95 27.582 2.178 0.088 1.00 0.00 N ATOM 1505 CA ALA A 95 28.893 1.538 0.144 1.00 0.00 C ATOM 1506 C ALA A 95 28.768 0.043 -0.140 1.00 0.00 C ATOM 1507 O ALA A 95 29.374 -0.476 -1.081 1.00 0.00 O ATOM 1508 CB ALA A 95 29.542 1.775 1.506 1.00 0.00 C ATOM 0 H ALA A 95 27.236 2.502 0.991 1.00 0.00 H new ATOM 0 HA ALA A 95 29.530 1.981 -0.622 1.00 0.00 H new ATOM 0 HB1 ALA A 95 30.519 1.292 1.533 1.00 0.00 H new ATOM 0 HB2 ALA A 95 29.662 2.846 1.670 1.00 0.00 H new ATOM 0 HB3 ALA A 95 28.909 1.357 2.288 1.00 0.00 H new ATOM 1514 N GLU A 96 27.963 -0.636 0.673 1.00 0.00 N ATOM 1515 CA GLU A 96 27.710 -2.065 0.511 1.00 0.00 C ATOM 1516 C GLU A 96 26.205 -2.324 0.511 1.00 0.00 C ATOM 1517 O GLU A 96 25.606 -2.557 1.561 1.00 0.00 O ATOM 1518 CB GLU A 96 28.387 -2.868 1.635 1.00 0.00 C ATOM 1519 CG GLU A 96 29.908 -2.765 1.639 1.00 0.00 C ATOM 1520 CD GLU A 96 30.551 -3.580 2.750 1.00 0.00 C ATOM 1521 OE1 GLU A 96 30.534 -4.825 2.665 1.00 0.00 O ATOM 1522 OE2 GLU A 96 31.085 -2.982 3.707 1.00 0.00 O ATOM 0 H GLU A 96 27.470 -0.213 1.459 1.00 0.00 H new ATOM 0 HA GLU A 96 28.131 -2.390 -0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 96 28.007 -2.521 2.596 1.00 0.00 H new ATOM 0 HB3 GLU A 96 28.104 -3.916 1.540 1.00 0.00 H new ATOM 0 HG2 GLU A 96 30.293 -3.103 0.677 1.00 0.00 H new ATOM 0 HG3 GLU A 96 30.196 -1.720 1.748 1.00 0.00 H new ATOM 1529 N PRO A 97 25.567 -2.262 -0.669 1.00 0.00 N ATOM 1530 CA PRO A 97 24.115 -2.412 -0.784 1.00 0.00 C ATOM 1531 C PRO A 97 23.662 -3.859 -0.599 1.00 0.00 C ATOM 1532 O PRO A 97 24.401 -4.801 -0.898 1.00 0.00 O ATOM 1533 CB PRO A 97 23.828 -1.930 -2.210 1.00 0.00 C ATOM 1534 CG PRO A 97 25.074 -2.256 -2.962 1.00 0.00 C ATOM 1535 CD PRO A 97 26.205 -2.047 -1.986 1.00 0.00 C ATOM 0 HA PRO A 97 23.581 -1.854 -0.015 1.00 0.00 H new ATOM 0 HB2 PRO A 97 22.962 -2.437 -2.635 1.00 0.00 H new ATOM 0 HB3 PRO A 97 23.616 -0.861 -2.234 1.00 0.00 H new ATOM 0 HG2 PRO A 97 25.055 -3.284 -3.325 1.00 0.00 H new ATOM 0 HG3 PRO A 97 25.185 -1.612 -3.834 1.00 0.00 H new ATOM 0 HD2 PRO A 97 27.019 -2.751 -2.158 1.00 0.00 H new ATOM 0 HD3 PRO A 97 26.627 -1.046 -2.069 1.00 0.00 H new ATOM 1543 N ARG A 98 22.446 -4.021 -0.098 1.00 0.00 N ATOM 1544 CA ARG A 98 21.834 -5.332 0.065 1.00 0.00 C ATOM 1545 C ARG A 98 20.328 -5.193 -0.115 1.00 0.00 C ATOM 1546 O ARG A 98 19.753 -4.167 0.260 1.00 0.00 O ATOM 1547 CB ARG A 98 22.173 -5.929 1.442 1.00 0.00 C ATOM 1548 CG ARG A 98 21.642 -5.120 2.620 1.00 0.00 C ATOM 1549 CD ARG A 98 22.179 -5.637 3.948 1.00 0.00 C ATOM 1550 NE ARG A 98 21.946 -4.693 5.045 1.00 0.00 N ATOM 1551 CZ ARG A 98 21.493 -5.039 6.249 1.00 0.00 C ATOM 1552 NH1 ARG A 98 21.054 -6.272 6.470 1.00 0.00 N ATOM 1553 NH2 ARG A 98 21.439 -4.136 7.218 1.00 0.00 N ATOM 0 H ARG A 98 21.856 -3.247 0.207 1.00 0.00 H new ATOM 0 HA ARG A 98 22.228 -6.015 -0.687 1.00 0.00 H new ATOM 0 HB2 ARG A 98 21.768 -6.940 1.497 1.00 0.00 H new ATOM 0 HB3 ARG A 98 23.256 -6.014 1.532 1.00 0.00 H new ATOM 0 HG2 ARG A 98 21.921 -4.073 2.498 1.00 0.00 H new ATOM 0 HG3 ARG A 98 20.553 -5.161 2.628 1.00 0.00 H new ATOM 0 HD2 ARG A 98 21.704 -6.590 4.184 1.00 0.00 H new ATOM 0 HD3 ARG A 98 23.248 -5.828 3.856 1.00 0.00 H new ATOM 0 HE ARG A 98 22.144 -3.707 4.875 1.00 0.00 H new ATOM 0 HH11 ARG A 98 21.063 -6.959 5.716 1.00 0.00 H new ATOM 0 HH12 ARG A 98 20.708 -6.532 7.394 1.00 0.00 H new ATOM 0 HH21 ARG A 98 21.744 -3.179 7.041 1.00 0.00 H new ATOM 0 HH22 ARG A 98 21.093 -4.398 8.141 1.00 0.00 H new ATOM 1567 N PRO A 99 19.669 -6.215 -0.685 1.00 0.00 N ATOM 1568 CA PRO A 99 18.250 -6.134 -1.067 1.00 0.00 C ATOM 1569 C PRO A 99 17.331 -5.824 0.118 1.00 0.00 C ATOM 1570 O PRO A 99 16.224 -5.315 -0.060 1.00 0.00 O ATOM 1571 CB PRO A 99 17.956 -7.529 -1.652 1.00 0.00 C ATOM 1572 CG PRO A 99 19.024 -8.410 -1.101 1.00 0.00 C ATOM 1573 CD PRO A 99 20.242 -7.541 -0.986 1.00 0.00 C ATOM 0 HA PRO A 99 18.064 -5.321 -1.769 1.00 0.00 H new ATOM 0 HB2 PRO A 99 16.966 -7.879 -1.360 1.00 0.00 H new ATOM 0 HB3 PRO A 99 17.980 -7.513 -2.742 1.00 0.00 H new ATOM 0 HG2 PRO A 99 18.737 -8.814 -0.130 1.00 0.00 H new ATOM 0 HG3 PRO A 99 19.209 -9.260 -1.758 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.909 -7.882 -0.195 1.00 0.00 H new ATOM 0 HD3 PRO A 99 20.821 -7.531 -1.909 1.00 0.00 H new ATOM 1581 N ASP A 100 17.813 -6.091 1.327 1.00 0.00 N ATOM 1582 CA ASP A 100 16.986 -5.974 2.528 1.00 0.00 C ATOM 1583 C ASP A 100 17.280 -4.683 3.302 1.00 0.00 C ATOM 1584 O ASP A 100 16.850 -4.533 4.449 1.00 0.00 O ATOM 1585 CB ASP A 100 17.198 -7.197 3.433 1.00 0.00 C ATOM 1586 CG ASP A 100 18.609 -7.280 3.992 1.00 0.00 C ATOM 1587 OD1 ASP A 100 19.553 -7.461 3.198 1.00 0.00 O ATOM 1588 OD2 ASP A 100 18.772 -7.169 5.227 1.00 0.00 O ATOM 0 H ASP A 100 18.772 -6.390 1.504 1.00 0.00 H new ATOM 0 HA ASP A 100 15.944 -5.934 2.210 1.00 0.00 H new ATOM 0 HB2 ASP A 100 16.487 -7.160 4.258 1.00 0.00 H new ATOM 0 HB3 ASP A 100 16.983 -8.103 2.867 1.00 0.00 H new ATOM 1593 N MET A 101 17.989 -3.746 2.669 1.00 0.00 N ATOM 1594 CA MET A 101 18.313 -2.457 3.301 1.00 0.00 C ATOM 1595 C MET A 101 17.051 -1.699 3.724 1.00 0.00 C ATOM 1596 O MET A 101 16.821 -1.454 4.908 1.00 0.00 O ATOM 1597 CB MET A 101 19.132 -1.560 2.350 1.00 0.00 C ATOM 1598 CG MET A 101 20.619 -1.879 2.289 1.00 0.00 C ATOM 1599 SD MET A 101 21.435 -1.712 3.892 1.00 0.00 S ATOM 1600 CE MET A 101 23.160 -1.854 3.423 1.00 0.00 C ATOM 0 H MET A 101 18.351 -3.851 1.721 1.00 0.00 H new ATOM 0 HA MET A 101 18.904 -2.688 4.187 1.00 0.00 H new ATOM 0 HB2 MET A 101 18.716 -1.645 1.346 1.00 0.00 H new ATOM 0 HB3 MET A 101 19.010 -0.522 2.659 1.00 0.00 H new ATOM 0 HG2 MET A 101 20.753 -2.897 1.922 1.00 0.00 H new ATOM 0 HG3 MET A 101 21.100 -1.215 1.570 1.00 0.00 H new ATOM 0 HE1 MET A 101 23.540 -2.830 3.724 1.00 0.00 H new ATOM 0 HE2 MET A 101 23.253 -1.746 2.342 1.00 0.00 H new ATOM 0 HE3 MET A 101 23.737 -1.072 3.917 1.00 0.00 H new ATOM 1610 N PHE A 102 16.229 -1.354 2.741 1.00 0.00 N ATOM 1611 CA PHE A 102 15.132 -0.400 2.936 1.00 0.00 C ATOM 1612 C PHE A 102 13.888 -1.032 3.575 1.00 0.00 C ATOM 1613 O PHE A 102 12.834 -0.395 3.626 1.00 0.00 O ATOM 1614 CB PHE A 102 14.743 0.226 1.589 1.00 0.00 C ATOM 1615 CG PHE A 102 15.882 0.895 0.859 1.00 0.00 C ATOM 1616 CD1 PHE A 102 16.270 2.190 1.178 1.00 0.00 C ATOM 1617 CD2 PHE A 102 16.555 0.233 -0.160 1.00 0.00 C ATOM 1618 CE1 PHE A 102 17.304 2.806 0.496 1.00 0.00 C ATOM 1619 CE2 PHE A 102 17.589 0.845 -0.840 1.00 0.00 C ATOM 1620 CZ PHE A 102 17.964 2.132 -0.513 1.00 0.00 C ATOM 0 H PHE A 102 16.298 -1.721 1.792 1.00 0.00 H new ATOM 0 HA PHE A 102 15.499 0.360 3.626 1.00 0.00 H new ATOM 0 HB2 PHE A 102 14.324 -0.551 0.949 1.00 0.00 H new ATOM 0 HB3 PHE A 102 13.955 0.960 1.758 1.00 0.00 H new ATOM 0 HD1 PHE A 102 15.759 2.722 1.967 1.00 0.00 H new ATOM 0 HD2 PHE A 102 16.266 -0.774 -0.424 1.00 0.00 H new ATOM 0 HE1 PHE A 102 17.595 3.814 0.752 1.00 0.00 H new ATOM 0 HE2 PHE A 102 18.104 0.316 -1.628 1.00 0.00 H new ATOM 0 HZ PHE A 102 18.772 2.612 -1.045 1.00 0.00 H new ATOM 1630 N ARG A 103 14.002 -2.265 4.073 1.00 0.00 N ATOM 1631 CA ARG A 103 12.840 -2.977 4.627 1.00 0.00 C ATOM 1632 C ARG A 103 12.173 -2.180 5.753 1.00 0.00 C ATOM 1633 O ARG A 103 10.946 -2.054 5.793 1.00 0.00 O ATOM 1634 CB ARG A 103 13.238 -4.367 5.147 1.00 0.00 C ATOM 1635 CG ARG A 103 13.636 -5.354 4.052 1.00 0.00 C ATOM 1636 CD ARG A 103 13.915 -6.746 4.615 1.00 0.00 C ATOM 1637 NE ARG A 103 12.732 -7.333 5.250 1.00 0.00 N ATOM 1638 CZ ARG A 103 12.715 -7.840 6.485 1.00 0.00 C ATOM 1639 NH1 ARG A 103 13.820 -7.862 7.220 1.00 0.00 N ATOM 1640 NH2 ARG A 103 11.589 -8.341 6.974 1.00 0.00 N ATOM 0 H ARG A 103 14.876 -2.790 4.106 1.00 0.00 H new ATOM 0 HA ARG A 103 12.124 -3.093 3.814 1.00 0.00 H new ATOM 0 HB2 ARG A 103 14.070 -4.258 5.842 1.00 0.00 H new ATOM 0 HB3 ARG A 103 12.404 -4.784 5.711 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.839 -5.415 3.311 1.00 0.00 H new ATOM 0 HG3 ARG A 103 14.523 -4.986 3.536 1.00 0.00 H new ATOM 0 HD2 ARG A 103 14.256 -7.399 3.812 1.00 0.00 H new ATOM 0 HD3 ARG A 103 14.724 -6.686 5.343 1.00 0.00 H new ATOM 0 HE ARG A 103 11.865 -7.356 4.713 1.00 0.00 H new ATOM 0 HH11 ARG A 103 14.691 -7.490 6.842 1.00 0.00 H new ATOM 0 HH12 ARG A 103 13.798 -8.251 8.163 1.00 0.00 H new ATOM 0 HH21 ARG A 103 10.741 -8.338 6.407 1.00 0.00 H new ATOM 0 HH22 ARG A 103 11.571 -8.730 7.917 1.00 0.00 H new ATOM 1654 N ALA A 104 12.986 -1.637 6.654 1.00 0.00 N ATOM 1655 CA ALA A 104 12.480 -0.904 7.816 1.00 0.00 C ATOM 1656 C ALA A 104 11.649 0.305 7.387 1.00 0.00 C ATOM 1657 O ALA A 104 10.490 0.456 7.783 1.00 0.00 O ATOM 1658 CB ALA A 104 13.639 -0.470 8.707 1.00 0.00 C ATOM 0 H ALA A 104 14.003 -1.690 6.603 1.00 0.00 H new ATOM 0 HA ALA A 104 11.829 -1.570 8.383 1.00 0.00 H new ATOM 0 HB1 ALA A 104 13.252 0.074 9.568 1.00 0.00 H new ATOM 0 HB2 ALA A 104 14.184 -1.350 9.049 1.00 0.00 H new ATOM 0 HB3 ALA A 104 14.311 0.176 8.142 1.00 0.00 H new ATOM 1664 N GLN A 105 12.244 1.151 6.551 1.00 0.00 N ATOM 1665 CA GLN A 105 11.590 2.374 6.092 1.00 0.00 C ATOM 1666 C GLN A 105 10.379 2.051 5.220 1.00 0.00 C ATOM 1667 O GLN A 105 9.413 2.818 5.178 1.00 0.00 O ATOM 1668 CB GLN A 105 12.581 3.268 5.328 1.00 0.00 C ATOM 1669 CG GLN A 105 13.630 3.936 6.216 1.00 0.00 C ATOM 1670 CD GLN A 105 14.556 2.954 6.915 1.00 0.00 C ATOM 1671 OE1 GLN A 105 14.845 1.875 6.396 1.00 0.00 O ATOM 1672 NE2 GLN A 105 15.023 3.318 8.102 1.00 0.00 N ATOM 0 H GLN A 105 13.182 1.012 6.176 1.00 0.00 H new ATOM 0 HA GLN A 105 11.242 2.918 6.970 1.00 0.00 H new ATOM 0 HB2 GLN A 105 13.089 2.667 4.573 1.00 0.00 H new ATOM 0 HB3 GLN A 105 12.023 4.041 4.798 1.00 0.00 H new ATOM 0 HG2 GLN A 105 14.228 4.615 5.608 1.00 0.00 H new ATOM 0 HG3 GLN A 105 13.124 4.542 6.968 1.00 0.00 H new ATOM 0 HE21 GLN A 105 14.760 4.220 8.499 1.00 0.00 H new ATOM 0 HE22 GLN A 105 15.645 2.696 8.618 1.00 0.00 H new ATOM 1681 N GLN A 106 10.433 0.908 4.538 1.00 0.00 N ATOM 1682 CA GLN A 106 9.325 0.450 3.705 1.00 0.00 C ATOM 1683 C GLN A 106 8.072 0.268 4.560 1.00 0.00 C ATOM 1684 O GLN A 106 7.014 0.832 4.269 1.00 0.00 O ATOM 1685 CB GLN A 106 9.690 -0.873 3.013 1.00 0.00 C ATOM 1686 CG GLN A 106 8.660 -1.351 1.995 1.00 0.00 C ATOM 1687 CD GLN A 106 9.012 -2.699 1.384 1.00 0.00 C ATOM 1688 OE1 GLN A 106 10.183 -3.063 1.275 1.00 0.00 O ATOM 1689 NE2 GLN A 106 7.998 -3.442 0.964 1.00 0.00 N ATOM 0 H GLN A 106 11.237 0.280 4.547 1.00 0.00 H new ATOM 0 HA GLN A 106 9.127 1.200 2.939 1.00 0.00 H new ATOM 0 HB2 GLN A 106 10.651 -0.755 2.513 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.818 -1.644 3.773 1.00 0.00 H new ATOM 0 HG2 GLN A 106 7.685 -1.420 2.477 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.571 -0.610 1.201 1.00 0.00 H new ATOM 0 HE21 GLN A 106 7.041 -3.106 1.072 1.00 0.00 H new ATOM 0 HE22 GLN A 106 8.175 -4.349 0.533 1.00 0.00 H new ATOM 1698 N LEU A 107 8.209 -0.511 5.632 1.00 0.00 N ATOM 1699 CA LEU A 107 7.103 -0.758 6.554 1.00 0.00 C ATOM 1700 C LEU A 107 6.720 0.518 7.295 1.00 0.00 C ATOM 1701 O LEU A 107 5.564 0.696 7.677 1.00 0.00 O ATOM 1702 CB LEU A 107 7.453 -1.868 7.561 1.00 0.00 C ATOM 1703 CG LEU A 107 7.299 -3.309 7.043 1.00 0.00 C ATOM 1704 CD1 LEU A 107 8.220 -3.576 5.856 1.00 0.00 C ATOM 1705 CD2 LEU A 107 7.556 -4.310 8.168 1.00 0.00 C ATOM 0 H LEU A 107 9.078 -0.983 5.883 1.00 0.00 H new ATOM 0 HA LEU A 107 6.250 -1.089 5.962 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.483 -1.726 7.887 1.00 0.00 H new ATOM 0 HB3 LEU A 107 6.821 -1.748 8.441 1.00 0.00 H new ATOM 0 HG LEU A 107 6.273 -3.434 6.696 1.00 0.00 H new ATOM 0 HD11 LEU A 107 8.086 -4.603 5.515 1.00 0.00 H new ATOM 0 HD12 LEU A 107 7.977 -2.890 5.045 1.00 0.00 H new ATOM 0 HD13 LEU A 107 9.256 -3.427 6.159 1.00 0.00 H new ATOM 0 HD21 LEU A 107 7.443 -5.324 7.785 1.00 0.00 H new ATOM 0 HD22 LEU A 107 8.568 -4.177 8.549 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.840 -4.144 8.973 1.00 0.00 H new ATOM 1717 N GLN A 108 7.690 1.404 7.496 1.00 0.00 N ATOM 1718 CA GLN A 108 7.432 2.661 8.187 1.00 0.00 C ATOM 1719 C GLN A 108 6.478 3.534 7.372 1.00 0.00 C ATOM 1720 O GLN A 108 5.458 3.985 7.889 1.00 0.00 O ATOM 1721 CB GLN A 108 8.741 3.406 8.484 1.00 0.00 C ATOM 1722 CG GLN A 108 8.539 4.732 9.205 1.00 0.00 C ATOM 1723 CD GLN A 108 9.807 5.228 9.869 1.00 0.00 C ATOM 1724 OE1 GLN A 108 10.645 5.908 9.111 1.00 0.00 O flip ATOM 1725 NE2 GLN A 108 10.041 4.977 11.048 1.00 0.00 N flip ATOM 0 H GLN A 108 8.655 1.276 7.192 1.00 0.00 H new ATOM 0 HA GLN A 108 6.957 2.434 9.141 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.383 2.767 9.090 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.266 3.588 7.546 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.189 5.480 8.493 1.00 0.00 H new ATOM 0 HG3 GLN A 108 7.759 4.618 9.958 1.00 0.00 H new ATOM 0 HE21 GLN A 108 9.366 4.448 11.600 1.00 0.00 H new ATOM 0 HE22 GLN A 108 10.910 5.298 11.475 1.00 0.00 H new ATOM 1734 N ILE A 109 6.797 3.742 6.094 1.00 0.00 N ATOM 1735 CA ILE A 109 5.942 4.536 5.205 1.00 0.00 C ATOM 1736 C ILE A 109 4.526 3.966 5.216 1.00 0.00 C ATOM 1737 O ILE A 109 3.536 4.698 5.269 1.00 0.00 O ATOM 1738 CB ILE A 109 6.511 4.565 3.748 1.00 0.00 C ATOM 1739 CG1 ILE A 109 6.531 6.002 3.191 1.00 0.00 C ATOM 1740 CG2 ILE A 109 5.728 3.657 2.795 1.00 0.00 C ATOM 1741 CD1 ILE A 109 7.346 6.979 4.013 1.00 0.00 C ATOM 0 H ILE A 109 7.638 3.374 5.650 1.00 0.00 H new ATOM 0 HA ILE A 109 5.920 5.563 5.570 1.00 0.00 H new ATOM 0 HB ILE A 109 7.531 4.185 3.810 1.00 0.00 H new ATOM 0 HG12 ILE A 109 6.928 5.980 2.176 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.506 6.368 3.125 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.164 3.714 1.798 1.00 0.00 H new ATOM 0 HG22 ILE A 109 5.774 2.628 3.153 1.00 0.00 H new ATOM 0 HG23 ILE A 109 4.688 3.981 2.756 1.00 0.00 H new ATOM 0 HD11 ILE A 109 7.306 7.965 3.551 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.938 7.035 5.022 1.00 0.00 H new ATOM 0 HD13 ILE A 109 8.381 6.641 4.059 1.00 0.00 H new ATOM 1753 N PHE A 110 4.466 2.641 5.180 1.00 0.00 N ATOM 1754 CA PHE A 110 3.206 1.909 5.283 1.00 0.00 C ATOM 1755 C PHE A 110 2.455 2.314 6.554 1.00 0.00 C ATOM 1756 O PHE A 110 1.331 2.814 6.495 1.00 0.00 O ATOM 1757 CB PHE A 110 3.478 0.392 5.288 1.00 0.00 C ATOM 1758 CG PHE A 110 2.236 -0.469 5.219 1.00 0.00 C ATOM 1759 CD1 PHE A 110 1.457 -0.702 6.346 1.00 0.00 C ATOM 1760 CD2 PHE A 110 1.850 -1.048 4.020 1.00 0.00 C ATOM 1761 CE1 PHE A 110 0.323 -1.490 6.274 1.00 0.00 C ATOM 1762 CE2 PHE A 110 0.720 -1.837 3.943 1.00 0.00 C ATOM 1763 CZ PHE A 110 -0.046 -2.058 5.069 1.00 0.00 C ATOM 0 H PHE A 110 5.286 2.043 5.079 1.00 0.00 H new ATOM 0 HA PHE A 110 2.586 2.156 4.421 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.121 0.148 4.442 1.00 0.00 H new ATOM 0 HB3 PHE A 110 4.031 0.138 6.192 1.00 0.00 H new ATOM 0 HD1 PHE A 110 1.741 -0.262 7.290 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.442 -0.879 3.133 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -0.273 -1.661 7.158 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.435 -2.282 3.001 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.932 -2.673 5.009 1.00 0.00 H new ATOM 1773 N ASN A 111 3.106 2.128 7.701 1.00 0.00 N ATOM 1774 CA ASN A 111 2.471 2.336 9.006 1.00 0.00 C ATOM 1775 C ASN A 111 2.285 3.819 9.337 1.00 0.00 C ATOM 1776 O ASN A 111 1.622 4.153 10.321 1.00 0.00 O ATOM 1777 CB ASN A 111 3.272 1.636 10.120 1.00 0.00 C ATOM 1778 CG ASN A 111 3.036 0.130 10.159 1.00 0.00 C ATOM 1779 OD1 ASN A 111 2.103 -0.345 10.808 1.00 0.00 O ATOM 1780 ND2 ASN A 111 3.881 -0.632 9.479 1.00 0.00 N ATOM 0 H ASN A 111 4.080 1.831 7.755 1.00 0.00 H new ATOM 0 HA ASN A 111 1.478 1.891 8.947 1.00 0.00 H new ATOM 0 HB2 ASN A 111 4.335 1.829 9.974 1.00 0.00 H new ATOM 0 HB3 ASN A 111 2.999 2.067 11.083 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.770 -1.646 9.482 1.00 0.00 H new ATOM 0 HD22 ASN A 111 4.643 -0.204 8.952 1.00 0.00 H new ATOM 1787 N LEU A 112 2.865 4.704 8.527 1.00 0.00 N ATOM 1788 CA LEU A 112 2.685 6.148 8.716 1.00 0.00 C ATOM 1789 C LEU A 112 1.436 6.643 7.990 1.00 0.00 C ATOM 1790 O LEU A 112 0.743 7.540 8.472 1.00 0.00 O ATOM 1791 CB LEU A 112 3.915 6.932 8.230 1.00 0.00 C ATOM 1792 CG LEU A 112 5.185 6.768 9.083 1.00 0.00 C ATOM 1793 CD1 LEU A 112 6.327 7.608 8.517 1.00 0.00 C ATOM 1794 CD2 LEU A 112 4.913 7.137 10.542 1.00 0.00 C ATOM 0 H LEU A 112 3.460 4.452 7.738 1.00 0.00 H new ATOM 0 HA LEU A 112 2.563 6.322 9.785 1.00 0.00 H new ATOM 0 HB2 LEU A 112 4.141 6.623 7.210 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.658 7.991 8.193 1.00 0.00 H new ATOM 0 HG LEU A 112 5.483 5.720 9.049 1.00 0.00 H new ATOM 0 HD11 LEU A 112 7.215 7.478 9.135 1.00 0.00 H new ATOM 0 HD12 LEU A 112 6.544 7.288 7.498 1.00 0.00 H new ATOM 0 HD13 LEU A 112 6.038 8.659 8.514 1.00 0.00 H new ATOM 0 HD21 LEU A 112 5.826 7.013 11.125 1.00 0.00 H new ATOM 0 HD22 LEU A 112 4.584 8.174 10.600 1.00 0.00 H new ATOM 0 HD23 LEU A 112 4.135 6.487 10.943 1.00 0.00 H new ATOM 1806 N MET A 113 1.152 6.059 6.829 1.00 0.00 N ATOM 1807 CA MET A 113 -0.007 6.465 6.030 1.00 0.00 C ATOM 1808 C MET A 113 -1.177 5.515 6.276 1.00 0.00 C ATOM 1809 O MET A 113 -2.302 5.772 5.837 1.00 0.00 O ATOM 1810 CB MET A 113 0.347 6.482 4.537 1.00 0.00 C ATOM 1811 CG MET A 113 1.697 7.124 4.235 1.00 0.00 C ATOM 1812 SD MET A 113 1.852 8.785 4.924 1.00 0.00 S ATOM 1813 CE MET A 113 3.579 9.134 4.602 1.00 0.00 C ATOM 0 H MET A 113 1.704 5.306 6.419 1.00 0.00 H new ATOM 0 HA MET A 113 -0.297 7.471 6.332 1.00 0.00 H new ATOM 0 HB2 MET A 113 0.349 5.459 4.161 1.00 0.00 H new ATOM 0 HB3 MET A 113 -0.431 7.019 3.994 1.00 0.00 H new ATOM 0 HG2 MET A 113 2.491 6.494 4.635 1.00 0.00 H new ATOM 0 HG3 MET A 113 1.839 7.169 3.155 1.00 0.00 H new ATOM 0 HE1 MET A 113 3.710 10.204 4.441 1.00 0.00 H new ATOM 0 HE2 MET A 113 4.179 8.819 5.456 1.00 0.00 H new ATOM 0 HE3 MET A 113 3.900 8.591 3.713 1.00 0.00 H new ATOM 1823 N LYS A 114 -0.886 4.432 6.996 1.00 0.00 N ATOM 1824 CA LYS A 114 -1.846 3.361 7.277 1.00 0.00 C ATOM 1825 C LYS A 114 -3.170 3.903 7.817 1.00 0.00 C ATOM 1826 O LYS A 114 -4.239 3.436 7.432 1.00 0.00 O ATOM 1827 CB LYS A 114 -1.230 2.379 8.287 1.00 0.00 C ATOM 1828 CG LYS A 114 -2.118 1.189 8.644 1.00 0.00 C ATOM 1829 CD LYS A 114 -1.454 0.301 9.697 1.00 0.00 C ATOM 1830 CE LYS A 114 -2.341 -0.869 10.109 1.00 0.00 C ATOM 1831 NZ LYS A 114 -1.726 -1.667 11.205 1.00 0.00 N ATOM 0 H LYS A 114 0.034 4.270 7.406 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.064 2.849 6.339 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.290 2.005 7.882 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -0.989 2.922 9.201 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.077 1.547 9.018 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.324 0.604 7.748 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.511 -0.081 9.305 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -1.215 0.900 10.576 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -3.312 -0.493 10.433 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -2.519 -1.512 9.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -2.358 -2.453 11.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -0.811 -2.046 10.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -1.579 -1.060 12.036 1.00 0.00 H new ATOM 1845 N PHE A 115 -3.094 4.886 8.706 1.00 0.00 N ATOM 1846 CA PHE A 115 -4.288 5.450 9.332 1.00 0.00 C ATOM 1847 C PHE A 115 -4.325 6.969 9.149 1.00 0.00 C ATOM 1848 O PHE A 115 -4.975 7.688 9.910 1.00 0.00 O ATOM 1849 CB PHE A 115 -4.321 5.072 10.824 1.00 0.00 C ATOM 1850 CG PHE A 115 -5.649 5.342 11.497 1.00 0.00 C ATOM 1851 CD1 PHE A 115 -6.785 4.640 11.118 1.00 0.00 C ATOM 1852 CD2 PHE A 115 -5.761 6.296 12.500 1.00 0.00 C ATOM 1853 CE1 PHE A 115 -8.002 4.882 11.725 1.00 0.00 C ATOM 1854 CE2 PHE A 115 -6.977 6.542 13.110 1.00 0.00 C ATOM 1855 CZ PHE A 115 -8.098 5.834 12.722 1.00 0.00 C ATOM 0 H PHE A 115 -2.218 5.311 9.011 1.00 0.00 H new ATOM 0 HA PHE A 115 -5.173 5.036 8.849 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -4.082 4.013 10.926 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -3.541 5.626 11.346 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -6.716 3.895 10.339 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -4.888 6.852 12.807 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -8.878 4.328 11.421 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -7.050 7.287 13.889 1.00 0.00 H new ATOM 0 HZ PHE A 115 -9.049 6.024 13.198 1.00 0.00 H new ATOM 1865 N ASP A 116 -3.649 7.455 8.110 1.00 0.00 N ATOM 1866 CA ASP A 116 -3.621 8.891 7.821 1.00 0.00 C ATOM 1867 C ASP A 116 -4.001 9.155 6.369 1.00 0.00 C ATOM 1868 O ASP A 116 -5.157 9.444 6.078 1.00 0.00 O ATOM 1869 CB ASP A 116 -2.250 9.505 8.133 1.00 0.00 C ATOM 1870 CG ASP A 116 -2.226 11.003 7.860 1.00 0.00 C ATOM 1871 OD1 ASP A 116 -2.842 11.763 8.641 1.00 0.00 O ATOM 1872 OD2 ASP A 116 -1.617 11.426 6.854 1.00 0.00 O ATOM 0 H ASP A 116 -3.116 6.881 7.457 1.00 0.00 H new ATOM 0 HA ASP A 116 -4.355 9.369 8.470 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -1.999 9.322 9.178 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.486 9.013 7.531 1.00 0.00 H new ATOM 1877 N SER A 117 -3.035 9.031 5.456 1.00 0.00 N ATOM 1878 CA SER A 117 -3.292 9.244 4.032 1.00 0.00 C ATOM 1879 C SER A 117 -4.396 8.302 3.550 1.00 0.00 C ATOM 1880 O SER A 117 -5.314 8.712 2.834 1.00 0.00 O ATOM 1881 CB SER A 117 -2.006 9.027 3.230 1.00 0.00 C ATOM 1882 OG SER A 117 -0.956 9.827 3.743 1.00 0.00 O ATOM 0 H SER A 117 -2.070 8.785 5.678 1.00 0.00 H new ATOM 0 HA SER A 117 -3.626 10.270 3.879 1.00 0.00 H new ATOM 0 HB2 SER A 117 -1.721 7.976 3.268 1.00 0.00 H new ATOM 0 HB3 SER A 117 -2.179 9.273 2.182 1.00 0.00 H new ATOM 0 HG SER A 117 -0.219 9.251 4.037 1.00 0.00 H new ATOM 1888 N TYR A 118 -4.302 7.043 3.971 1.00 0.00 N ATOM 1889 CA TYR A 118 -5.349 6.054 3.714 1.00 0.00 C ATOM 1890 C TYR A 118 -6.695 6.542 4.258 1.00 0.00 C ATOM 1891 O TYR A 118 -7.694 6.593 3.533 1.00 0.00 O ATOM 1892 CB TYR A 118 -4.955 4.716 4.364 1.00 0.00 C ATOM 1893 CG TYR A 118 -6.094 3.721 4.526 1.00 0.00 C ATOM 1894 CD1 TYR A 118 -6.553 2.961 3.453 1.00 0.00 C ATOM 1895 CD2 TYR A 118 -6.700 3.537 5.764 1.00 0.00 C ATOM 1896 CE1 TYR A 118 -7.581 2.049 3.615 1.00 0.00 C ATOM 1897 CE2 TYR A 118 -7.724 2.631 5.931 1.00 0.00 C ATOM 1898 CZ TYR A 118 -8.162 1.891 4.858 1.00 0.00 C ATOM 1899 OH TYR A 118 -9.182 0.986 5.030 1.00 0.00 O ATOM 0 H TYR A 118 -3.506 6.681 4.495 1.00 0.00 H new ATOM 0 HA TYR A 118 -5.454 5.913 2.638 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -4.172 4.254 3.763 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -4.527 4.918 5.346 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -6.100 3.085 2.480 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -6.361 4.116 6.611 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -7.927 1.465 2.775 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -8.181 2.502 6.901 1.00 0.00 H new ATOM 0 HH TYR A 118 -9.477 0.999 5.964 1.00 0.00 H new ATOM 1909 N ALA A 119 -6.698 6.929 5.531 1.00 0.00 N ATOM 1910 CA ALA A 119 -7.917 7.363 6.208 1.00 0.00 C ATOM 1911 C ALA A 119 -8.430 8.687 5.636 1.00 0.00 C ATOM 1912 O ALA A 119 -9.605 9.015 5.771 1.00 0.00 O ATOM 1913 CB ALA A 119 -7.673 7.480 7.710 1.00 0.00 C ATOM 0 H ALA A 119 -5.864 6.951 6.118 1.00 0.00 H new ATOM 0 HA ALA A 119 -8.687 6.611 6.036 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -8.589 7.804 8.203 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -7.371 6.510 8.106 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -6.884 8.209 7.895 1.00 0.00 H new ATOM 1919 N ARG A 120 -7.536 9.434 5.000 1.00 0.00 N ATOM 1920 CA ARG A 120 -7.882 10.711 4.379 1.00 0.00 C ATOM 1921 C ARG A 120 -8.593 10.478 3.050 1.00 0.00 C ATOM 1922 O ARG A 120 -9.646 11.065 2.783 1.00 0.00 O ATOM 1923 CB ARG A 120 -6.609 11.550 4.163 1.00 0.00 C ATOM 1924 CG ARG A 120 -6.817 12.837 3.362 1.00 0.00 C ATOM 1925 CD ARG A 120 -7.747 13.818 4.068 1.00 0.00 C ATOM 1926 NE ARG A 120 -7.921 15.051 3.295 1.00 0.00 N ATOM 1927 CZ ARG A 120 -8.626 16.105 3.708 1.00 0.00 C ATOM 1928 NH1 ARG A 120 -9.192 16.106 4.908 1.00 0.00 N ATOM 1929 NH2 ARG A 120 -8.747 17.165 2.922 1.00 0.00 N ATOM 0 H ARG A 120 -6.555 9.175 4.899 1.00 0.00 H new ATOM 0 HA ARG A 120 -8.556 11.255 5.041 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -6.191 11.808 5.136 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -5.868 10.936 3.651 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -5.852 13.315 3.190 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -7.229 12.590 2.384 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.718 13.349 4.228 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.343 14.059 5.051 1.00 0.00 H new ATOM 0 HE ARG A 120 -7.473 15.107 2.380 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -9.089 15.297 5.521 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -9.730 16.916 5.218 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -8.302 17.173 2.004 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -9.285 17.973 3.235 1.00 0.00 H new ATOM 1943 N PHE A 121 -8.016 9.608 2.229 1.00 0.00 N ATOM 1944 CA PHE A 121 -8.542 9.333 0.895 1.00 0.00 C ATOM 1945 C PHE A 121 -9.978 8.816 0.965 1.00 0.00 C ATOM 1946 O PHE A 121 -10.846 9.282 0.228 1.00 0.00 O ATOM 1947 CB PHE A 121 -7.651 8.319 0.165 1.00 0.00 C ATOM 1948 CG PHE A 121 -8.147 7.958 -1.217 1.00 0.00 C ATOM 1949 CD1 PHE A 121 -8.175 8.908 -2.228 1.00 0.00 C ATOM 1950 CD2 PHE A 121 -8.590 6.671 -1.503 1.00 0.00 C ATOM 1951 CE1 PHE A 121 -8.633 8.586 -3.491 1.00 0.00 C ATOM 1952 CE2 PHE A 121 -9.048 6.345 -2.766 1.00 0.00 C ATOM 1953 CZ PHE A 121 -9.072 7.304 -3.759 1.00 0.00 C ATOM 0 H PHE A 121 -7.178 9.077 2.465 1.00 0.00 H new ATOM 0 HA PHE A 121 -8.543 10.269 0.337 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -6.643 8.726 0.085 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.582 7.412 0.765 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.834 9.912 -2.025 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -8.576 5.918 -0.729 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.648 9.336 -4.268 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -9.387 5.341 -2.976 1.00 0.00 H new ATOM 0 HZ PHE A 121 -9.434 7.052 -4.745 1.00 0.00 H new ATOM 1963 N VAL A 122 -10.226 7.870 1.866 1.00 0.00 N ATOM 1964 CA VAL A 122 -11.551 7.259 1.986 1.00 0.00 C ATOM 1965 C VAL A 122 -12.602 8.271 2.470 1.00 0.00 C ATOM 1966 O VAL A 122 -13.804 8.044 2.318 1.00 0.00 O ATOM 1967 CB VAL A 122 -11.536 6.023 2.923 1.00 0.00 C ATOM 1968 CG1 VAL A 122 -10.620 4.935 2.363 1.00 0.00 C ATOM 1969 CG2 VAL A 122 -11.116 6.408 4.341 1.00 0.00 C ATOM 0 H VAL A 122 -9.533 7.510 2.522 1.00 0.00 H new ATOM 0 HA VAL A 122 -11.827 6.926 0.986 1.00 0.00 H new ATOM 0 HB VAL A 122 -12.550 5.628 2.973 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -10.623 4.076 3.034 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -10.978 4.629 1.380 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -9.605 5.323 2.275 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -11.115 5.521 4.974 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -10.115 6.839 4.320 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -11.818 7.139 4.742 1.00 0.00 H new ATOM 1979 N LYS A 123 -12.146 9.383 3.050 1.00 0.00 N ATOM 1980 CA LYS A 123 -13.048 10.458 3.485 1.00 0.00 C ATOM 1981 C LYS A 123 -13.263 11.469 2.359 1.00 0.00 C ATOM 1982 O LYS A 123 -14.284 12.159 2.311 1.00 0.00 O ATOM 1983 CB LYS A 123 -12.479 11.196 4.711 1.00 0.00 C ATOM 1984 CG LYS A 123 -12.346 10.348 5.971 1.00 0.00 C ATOM 1985 CD LYS A 123 -11.855 11.188 7.152 1.00 0.00 C ATOM 1986 CE LYS A 123 -11.626 10.348 8.404 1.00 0.00 C ATOM 1987 NZ LYS A 123 -10.528 9.361 8.223 1.00 0.00 N ATOM 0 H LYS A 123 -11.159 9.565 3.230 1.00 0.00 H new ATOM 0 HA LYS A 123 -13.999 9.997 3.752 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -11.497 11.593 4.453 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -13.120 12.049 4.932 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -13.309 9.900 6.215 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -11.650 9.529 5.790 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -10.926 11.688 6.878 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -12.585 11.968 7.369 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -11.389 11.004 9.242 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -12.546 9.823 8.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -10.918 8.398 8.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -10.070 9.517 7.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -9.827 9.478 8.983 1.00 0.00 H new ATOM 2001 N SER A 124 -12.293 11.550 1.460 1.00 0.00 N ATOM 2002 CA SER A 124 -12.269 12.582 0.429 1.00 0.00 C ATOM 2003 C SER A 124 -12.980 12.130 -0.857 1.00 0.00 C ATOM 2004 O SER A 124 -13.350 10.958 -0.992 1.00 0.00 O ATOM 2005 CB SER A 124 -10.808 12.949 0.142 1.00 0.00 C ATOM 2006 OG SER A 124 -10.171 13.425 1.320 1.00 0.00 O ATOM 0 H SER A 124 -11.503 10.906 1.423 1.00 0.00 H new ATOM 0 HA SER A 124 -12.812 13.455 0.792 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.276 12.077 -0.238 1.00 0.00 H new ATOM 0 HB3 SER A 124 -10.765 13.712 -0.635 1.00 0.00 H new ATOM 0 HG SER A 124 -9.963 12.669 1.908 1.00 0.00 H new ATOM 2012 N PRO A 125 -13.221 13.076 -1.805 1.00 0.00 N ATOM 2013 CA PRO A 125 -13.752 12.757 -3.142 1.00 0.00 C ATOM 2014 C PRO A 125 -12.921 11.693 -3.867 1.00 0.00 C ATOM 2015 O PRO A 125 -11.957 11.161 -3.311 1.00 0.00 O ATOM 2016 CB PRO A 125 -13.680 14.101 -3.885 1.00 0.00 C ATOM 2017 CG PRO A 125 -13.756 15.128 -2.810 1.00 0.00 C ATOM 2018 CD PRO A 125 -13.034 14.534 -1.629 1.00 0.00 C ATOM 0 HA PRO A 125 -14.757 12.338 -3.090 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -12.755 14.190 -4.454 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -14.502 14.207 -4.594 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -13.289 16.061 -3.126 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -14.792 15.358 -2.561 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -11.978 14.806 -1.626 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -13.455 14.881 -0.685 1.00 0.00 H new ATOM 2026 N LEU A 126 -13.293 11.406 -5.116 1.00 0.00 N ATOM 2027 CA LEU A 126 -12.673 10.334 -5.909 1.00 0.00 C ATOM 2028 C LEU A 126 -13.098 8.963 -5.379 1.00 0.00 C ATOM 2029 O LEU A 126 -13.654 8.155 -6.122 1.00 0.00 O ATOM 2030 CB LEU A 126 -11.136 10.459 -5.947 1.00 0.00 C ATOM 2031 CG LEU A 126 -10.599 11.729 -6.631 1.00 0.00 C ATOM 2032 CD1 LEU A 126 -9.075 11.794 -6.542 1.00 0.00 C ATOM 2033 CD2 LEU A 126 -11.059 11.792 -8.089 1.00 0.00 C ATOM 0 H LEU A 126 -14.032 11.908 -5.609 1.00 0.00 H new ATOM 0 HA LEU A 126 -13.027 10.436 -6.935 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -10.760 10.429 -4.924 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -10.729 9.589 -6.462 1.00 0.00 H new ATOM 0 HG LEU A 126 -11.005 12.594 -6.106 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -8.720 12.700 -7.033 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -8.772 11.806 -5.495 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -8.644 10.922 -7.035 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -10.669 12.697 -8.555 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -10.688 10.919 -8.626 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -12.148 11.805 -8.127 1.00 0.00 H new ATOM 2045 N TYR A 127 -12.854 8.708 -4.093 1.00 0.00 N ATOM 2046 CA TYR A 127 -13.306 7.475 -3.459 1.00 0.00 C ATOM 2047 C TYR A 127 -14.830 7.387 -3.508 1.00 0.00 C ATOM 2048 O TYR A 127 -15.389 6.537 -4.202 1.00 0.00 O ATOM 2049 CB TYR A 127 -12.813 7.393 -2.005 1.00 0.00 C ATOM 2050 CG TYR A 127 -13.329 6.174 -1.256 1.00 0.00 C ATOM 2051 CD1 TYR A 127 -12.860 4.899 -1.555 1.00 0.00 C ATOM 2052 CD2 TYR A 127 -14.294 6.299 -0.259 1.00 0.00 C ATOM 2053 CE1 TYR A 127 -13.331 3.788 -0.882 1.00 0.00 C ATOM 2054 CE2 TYR A 127 -14.769 5.191 0.417 1.00 0.00 C ATOM 2055 CZ TYR A 127 -14.285 3.939 0.102 1.00 0.00 C ATOM 2056 OH TYR A 127 -14.760 2.833 0.774 1.00 0.00 O ATOM 0 H TYR A 127 -12.347 9.339 -3.473 1.00 0.00 H new ATOM 0 HA TYR A 127 -12.885 6.633 -4.008 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -11.723 7.378 -2.000 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -13.122 8.293 -1.474 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -12.115 4.775 -2.327 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -14.677 7.278 -0.010 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -12.954 2.806 -1.126 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -15.516 5.305 1.189 1.00 0.00 H new ATOM 0 HH TYR A 127 -15.426 3.113 1.436 1.00 0.00 H new ATOM 2066 N ARG A 128 -15.499 8.291 -2.792 1.00 0.00 N ATOM 2067 CA ARG A 128 -16.964 8.329 -2.769 1.00 0.00 C ATOM 2068 C ARG A 128 -17.513 8.508 -4.184 1.00 0.00 C ATOM 2069 O ARG A 128 -18.609 8.047 -4.503 1.00 0.00 O ATOM 2070 CB ARG A 128 -17.459 9.464 -1.856 1.00 0.00 C ATOM 2071 CG ARG A 128 -17.130 10.865 -2.366 1.00 0.00 C ATOM 2072 CD ARG A 128 -17.609 11.951 -1.408 1.00 0.00 C ATOM 2073 NE ARG A 128 -19.050 11.870 -1.140 1.00 0.00 N ATOM 2074 CZ ARG A 128 -19.838 12.930 -0.944 1.00 0.00 C ATOM 2075 NH1 ARG A 128 -19.360 14.159 -1.096 1.00 0.00 N ATOM 2076 NH2 ARG A 128 -21.115 12.754 -0.625 1.00 0.00 N ATOM 0 H ARG A 128 -15.051 9.007 -2.220 1.00 0.00 H new ATOM 0 HA ARG A 128 -17.328 7.382 -2.371 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -18.539 9.376 -1.739 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -17.020 9.337 -0.866 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -16.053 10.956 -2.507 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -17.593 11.013 -3.342 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -17.063 11.868 -0.468 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -17.375 12.930 -1.827 1.00 0.00 H new ATOM 0 HE ARG A 128 -19.477 10.944 -1.101 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -18.386 14.298 -1.364 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -19.967 14.965 -0.945 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -21.492 11.811 -0.530 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -21.719 13.562 -0.475 1.00 0.00 H new ATOM 2090 N GLU A 129 -16.717 9.160 -5.027 1.00 0.00 N ATOM 2091 CA GLU A 129 -17.080 9.408 -6.416 1.00 0.00 C ATOM 2092 C GLU A 129 -17.104 8.097 -7.202 1.00 0.00 C ATOM 2093 O GLU A 129 -17.953 7.893 -8.070 1.00 0.00 O ATOM 2094 CB GLU A 129 -16.077 10.385 -7.038 1.00 0.00 C ATOM 2095 CG GLU A 129 -16.421 10.823 -8.453 1.00 0.00 C ATOM 2096 CD GLU A 129 -15.349 11.716 -9.057 1.00 0.00 C ATOM 2097 OE1 GLU A 129 -14.990 12.730 -8.424 1.00 0.00 O ATOM 2098 OE2 GLU A 129 -14.875 11.415 -10.174 1.00 0.00 O ATOM 0 H GLU A 129 -15.803 9.530 -4.765 1.00 0.00 H new ATOM 0 HA GLU A 129 -18.077 9.846 -6.453 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -16.008 11.269 -6.404 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -15.091 9.920 -7.044 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -16.554 9.942 -9.081 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -17.372 11.355 -8.445 1.00 0.00 H new ATOM 2105 N CYS A 130 -16.170 7.207 -6.876 1.00 0.00 N ATOM 2106 CA CYS A 130 -16.089 5.901 -7.521 1.00 0.00 C ATOM 2107 C CYS A 130 -17.237 5.007 -7.051 1.00 0.00 C ATOM 2108 O CYS A 130 -17.706 4.139 -7.789 1.00 0.00 O ATOM 2109 CB CYS A 130 -14.739 5.240 -7.222 1.00 0.00 C ATOM 2110 SG CYS A 130 -14.468 3.690 -8.109 1.00 0.00 S ATOM 0 H CYS A 130 -15.456 7.368 -6.166 1.00 0.00 H new ATOM 0 HA CYS A 130 -16.174 6.039 -8.599 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -13.940 5.937 -7.477 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -14.668 5.051 -6.151 1.00 0.00 H new ATOM 0 HG CYS A 130 -15.614 3.146 -8.393 1.00 0.00 H new