USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 579 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 Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 9 LYS NZ :NH3+ 134:sc= 0.658 (180deg=-1.31!) USER MOD Single : A 10 CYS SG : rot 180:sc=-0.00536 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc= -6.94! C(o=-6.9!,f=-7.5!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 180:sc= 0.0238 USER MOD Single : A 21 LYS NZ :NH3+ -160:sc= -0.42 (180deg=-0.657) USER MOD Single : A 28 SER OG : rot -160:sc= -0.923 USER MOD Single : A 29 CYS SG : rot -179:sc= -0.619 USER MOD Single : A 30 GLN : amide:sc= -0.009 X(o=-0.009,f=-0.068) USER MOD Single : A 35 LYS NZ :NH3+ 148:sc= -0.178 (180deg=-1.52!) USER MOD Single : A 37 CYS SG : rot 115:sc= -1.33! USER MOD Single : A 41 GLN :FLIP amide:sc= -0.0331 F(o=-0.65,f=-0.033) USER MOD Single : A 47 SER OG : rot 28:sc= -0.784! USER MOD Single : A 50 CYS SG : rot 180:sc= -1.85! USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -160:sc= -3.81! USER MOD Single : A 59 THR OG1 : rot -160:sc= -1.14 USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.249 K(o=-0.25,f=-2.4!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0393 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0151 USER MOD Single : A 82 HIS : no HD1:sc= -0.0351 X(o=-0.035,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 98 N GLN A 7 84.492 0.223 -6.435 1.00 0.00 N ATOM 99 CA GLN A 7 84.139 1.541 -5.833 1.00 0.00 C ATOM 100 C GLN A 7 83.007 1.358 -4.820 1.00 0.00 C ATOM 101 O GLN A 7 82.340 0.342 -4.810 1.00 0.00 O ATOM 102 CB GLN A 7 83.679 2.406 -7.007 1.00 0.00 C ATOM 103 CG GLN A 7 84.850 3.251 -7.513 1.00 0.00 C ATOM 104 CD GLN A 7 84.335 4.294 -8.507 1.00 0.00 C ATOM 105 OE1 GLN A 7 83.592 3.971 -9.413 1.00 0.00 O ATOM 106 NE2 GLN A 7 84.701 5.539 -8.377 1.00 0.00 N ATOM 0 HA GLN A 7 84.976 1.996 -5.303 1.00 0.00 H new ATOM 0 HB2 GLN A 7 83.300 1.774 -7.810 1.00 0.00 H new ATOM 0 HB3 GLN A 7 82.859 3.053 -6.696 1.00 0.00 H new ATOM 0 HG2 GLN A 7 85.345 3.744 -6.676 1.00 0.00 H new ATOM 0 HG3 GLN A 7 85.593 2.613 -7.992 1.00 0.00 H new ATOM 0 HE21 GLN A 7 85.325 5.811 -7.617 1.00 0.00 H new ATOM 0 HE22 GLN A 7 84.364 6.241 -9.035 1.00 0.00 H new ATOM 115 N PRO A 8 82.828 2.352 -3.994 1.00 0.00 N ATOM 116 CA PRO A 8 81.765 2.298 -2.962 1.00 0.00 C ATOM 117 C PRO A 8 80.384 2.460 -3.603 1.00 0.00 C ATOM 118 O PRO A 8 80.169 3.328 -4.424 1.00 0.00 O ATOM 119 CB PRO A 8 82.089 3.479 -2.053 1.00 0.00 C ATOM 120 CG PRO A 8 82.858 4.430 -2.915 1.00 0.00 C ATOM 121 CD PRO A 8 83.588 3.605 -3.944 1.00 0.00 C ATOM 0 HA PRO A 8 81.737 1.350 -2.425 1.00 0.00 H new ATOM 0 HB2 PRO A 8 81.180 3.942 -1.668 1.00 0.00 H new ATOM 0 HB3 PRO A 8 82.677 3.164 -1.191 1.00 0.00 H new ATOM 0 HG2 PRO A 8 82.187 5.141 -3.397 1.00 0.00 H new ATOM 0 HG3 PRO A 8 83.561 5.010 -2.317 1.00 0.00 H new ATOM 0 HD2 PRO A 8 83.606 4.101 -4.915 1.00 0.00 H new ATOM 0 HD3 PRO A 8 84.625 3.432 -3.656 1.00 0.00 H new ATOM 129 N LYS A 9 79.447 1.628 -3.234 1.00 0.00 N ATOM 130 CA LYS A 9 78.081 1.734 -3.823 1.00 0.00 C ATOM 131 C LYS A 9 77.281 2.825 -3.106 1.00 0.00 C ATOM 132 O LYS A 9 77.769 3.471 -2.200 1.00 0.00 O ATOM 133 CB LYS A 9 77.441 0.363 -3.595 1.00 0.00 C ATOM 134 CG LYS A 9 77.321 -0.373 -4.932 1.00 0.00 C ATOM 135 CD LYS A 9 75.845 -0.515 -5.311 1.00 0.00 C ATOM 136 CE LYS A 9 75.242 -1.720 -4.583 1.00 0.00 C ATOM 137 NZ LYS A 9 75.195 -2.804 -5.605 1.00 0.00 N ATOM 0 H LYS A 9 79.568 0.880 -2.551 1.00 0.00 H new ATOM 0 HA LYS A 9 78.107 2.000 -4.880 1.00 0.00 H new ATOM 0 HB2 LYS A 9 78.044 -0.221 -2.899 1.00 0.00 H new ATOM 0 HB3 LYS A 9 76.456 0.480 -3.143 1.00 0.00 H new ATOM 0 HG2 LYS A 9 77.855 0.174 -5.709 1.00 0.00 H new ATOM 0 HG3 LYS A 9 77.784 -1.357 -4.860 1.00 0.00 H new ATOM 0 HD2 LYS A 9 75.302 0.392 -5.046 1.00 0.00 H new ATOM 0 HD3 LYS A 9 75.746 -0.642 -6.389 1.00 0.00 H new ATOM 0 HE2 LYS A 9 75.852 -2.010 -3.728 1.00 0.00 H new ATOM 0 HE3 LYS A 9 74.246 -1.493 -4.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 75.558 -3.687 -5.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 74.213 -2.946 -5.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 75.781 -2.537 -6.422 1.00 0.00 H new ATOM 151 N CYS A 10 76.056 3.034 -3.504 1.00 0.00 N ATOM 152 CA CYS A 10 75.228 4.084 -2.844 1.00 0.00 C ATOM 153 C CYS A 10 73.745 3.708 -2.900 1.00 0.00 C ATOM 154 O CYS A 10 73.291 3.066 -3.826 1.00 0.00 O ATOM 155 CB CYS A 10 75.488 5.358 -3.645 1.00 0.00 C ATOM 156 SG CYS A 10 74.795 6.776 -2.760 1.00 0.00 S ATOM 0 H CYS A 10 75.593 2.524 -4.256 1.00 0.00 H new ATOM 0 HA CYS A 10 75.483 4.205 -1.791 1.00 0.00 H new ATOM 0 HB2 CYS A 10 76.559 5.496 -3.793 1.00 0.00 H new ATOM 0 HB3 CYS A 10 75.038 5.277 -4.634 1.00 0.00 H new ATOM 0 HG CYS A 10 75.017 7.862 -3.439 1.00 0.00 H new ATOM 162 N VAL A 11 72.989 4.106 -1.916 1.00 0.00 N ATOM 163 CA VAL A 11 71.535 3.776 -1.910 1.00 0.00 C ATOM 164 C VAL A 11 70.737 4.928 -1.292 1.00 0.00 C ATOM 165 O VAL A 11 71.117 5.487 -0.283 1.00 0.00 O ATOM 166 CB VAL A 11 71.415 2.518 -1.050 1.00 0.00 C ATOM 167 CG1 VAL A 11 72.423 1.473 -1.528 1.00 0.00 C ATOM 168 CG2 VAL A 11 71.703 2.872 0.411 1.00 0.00 C ATOM 0 H VAL A 11 73.314 4.646 -1.114 1.00 0.00 H new ATOM 0 HA VAL A 11 71.143 3.619 -2.915 1.00 0.00 H new ATOM 0 HB VAL A 11 70.406 2.114 -1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 11 72.337 0.577 -0.914 1.00 0.00 H new ATOM 0 HG12 VAL A 11 72.220 1.221 -2.569 1.00 0.00 H new ATOM 0 HG13 VAL A 11 73.432 1.875 -1.442 1.00 0.00 H new ATOM 0 HG21 VAL A 11 71.618 1.976 1.026 1.00 0.00 H new ATOM 0 HG22 VAL A 11 72.712 3.276 0.495 1.00 0.00 H new ATOM 0 HG23 VAL A 11 70.984 3.617 0.753 1.00 0.00 H new ATOM 178 N LYS A 12 69.633 5.285 -1.889 1.00 0.00 N ATOM 179 CA LYS A 12 68.813 6.400 -1.333 1.00 0.00 C ATOM 180 C LYS A 12 67.695 5.840 -0.450 1.00 0.00 C ATOM 181 O LYS A 12 66.637 5.479 -0.925 1.00 0.00 O ATOM 182 CB LYS A 12 68.229 7.112 -2.554 1.00 0.00 C ATOM 183 CG LYS A 12 69.361 7.754 -3.358 1.00 0.00 C ATOM 184 CD LYS A 12 69.431 9.248 -3.037 1.00 0.00 C ATOM 185 CE LYS A 12 70.801 9.793 -3.444 1.00 0.00 C ATOM 186 NZ LYS A 12 70.772 11.230 -3.053 1.00 0.00 N ATOM 0 H LYS A 12 69.263 4.854 -2.736 1.00 0.00 H new ATOM 0 HA LYS A 12 69.400 7.077 -0.712 1.00 0.00 H new ATOM 0 HB2 LYS A 12 67.684 6.402 -3.176 1.00 0.00 H new ATOM 0 HB3 LYS A 12 67.516 7.873 -2.238 1.00 0.00 H new ATOM 0 HG2 LYS A 12 70.310 7.275 -3.117 1.00 0.00 H new ATOM 0 HG3 LYS A 12 69.192 7.608 -4.425 1.00 0.00 H new ATOM 0 HD2 LYS A 12 68.643 9.782 -3.568 1.00 0.00 H new ATOM 0 HD3 LYS A 12 69.265 9.410 -1.972 1.00 0.00 H new ATOM 0 HE2 LYS A 12 71.605 9.261 -2.935 1.00 0.00 H new ATOM 0 HE3 LYS A 12 70.970 9.678 -4.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 71.679 11.675 -3.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 70.001 11.712 -3.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 70.616 11.308 -2.028 1.00 0.00 H new ATOM 200 N LEU A 13 67.925 5.760 0.832 1.00 0.00 N ATOM 201 CA LEU A 13 66.879 5.218 1.746 1.00 0.00 C ATOM 202 C LEU A 13 65.729 6.220 1.904 1.00 0.00 C ATOM 203 O LEU A 13 65.736 7.053 2.786 1.00 0.00 O ATOM 204 CB LEU A 13 67.595 5.008 3.081 1.00 0.00 C ATOM 205 CG LEU A 13 67.282 3.609 3.618 1.00 0.00 C ATOM 206 CD1 LEU A 13 68.294 2.605 3.060 1.00 0.00 C ATOM 207 CD2 LEU A 13 67.368 3.620 5.146 1.00 0.00 C ATOM 0 H LEU A 13 68.792 6.046 1.286 1.00 0.00 H new ATOM 0 HA LEU A 13 66.439 4.296 1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 13 68.671 5.126 2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 13 67.276 5.764 3.799 1.00 0.00 H new ATOM 0 HG LEU A 13 66.277 3.320 3.309 1.00 0.00 H new ATOM 0 HD11 LEU A 13 68.069 1.610 3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 13 68.235 2.596 1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 13 69.299 2.893 3.367 1.00 0.00 H new ATOM 0 HD21 LEU A 13 67.145 2.625 5.530 1.00 0.00 H new ATOM 0 HD22 LEU A 13 68.373 3.911 5.452 1.00 0.00 H new ATOM 0 HD23 LEU A 13 66.647 4.333 5.546 1.00 0.00 H new ATOM 219 N ARG A 14 64.737 6.135 1.062 1.00 0.00 N ATOM 220 CA ARG A 14 63.577 7.069 1.168 1.00 0.00 C ATOM 221 C ARG A 14 62.550 6.495 2.150 1.00 0.00 C ATOM 222 O ARG A 14 62.443 5.299 2.312 1.00 0.00 O ATOM 223 CB ARG A 14 63.009 7.150 -0.254 1.00 0.00 C ATOM 224 CG ARG A 14 61.520 7.508 -0.215 1.00 0.00 C ATOM 225 CD ARG A 14 61.340 8.925 0.332 1.00 0.00 C ATOM 226 NE ARG A 14 60.012 8.905 1.008 1.00 0.00 N ATOM 227 CZ ARG A 14 59.364 10.018 1.208 1.00 0.00 C ATOM 228 NH1 ARG A 14 59.920 10.982 1.888 1.00 0.00 N ATOM 229 NH2 ARG A 14 58.159 10.168 0.727 1.00 0.00 N ATOM 0 H ARG A 14 64.678 5.457 0.302 1.00 0.00 H new ATOM 0 HA ARG A 14 63.852 8.056 1.541 1.00 0.00 H new ATOM 0 HB2 ARG A 14 63.555 7.899 -0.828 1.00 0.00 H new ATOM 0 HB3 ARG A 14 63.147 6.196 -0.762 1.00 0.00 H new ATOM 0 HG2 ARG A 14 61.094 7.438 -1.216 1.00 0.00 H new ATOM 0 HG3 ARG A 14 60.982 6.796 0.411 1.00 0.00 H new ATOM 0 HD2 ARG A 14 62.136 9.184 1.031 1.00 0.00 H new ATOM 0 HD3 ARG A 14 61.366 9.664 -0.468 1.00 0.00 H new ATOM 0 HE ARG A 14 59.610 8.019 1.315 1.00 0.00 H new ATOM 0 HH11 ARG A 14 60.861 10.865 2.263 1.00 0.00 H new ATOM 0 HH12 ARG A 14 59.414 11.853 2.045 1.00 0.00 H new ATOM 0 HH21 ARG A 14 57.725 9.414 0.195 1.00 0.00 H new ATOM 0 HH22 ARG A 14 57.652 11.039 0.884 1.00 0.00 H new ATOM 243 N ALA A 15 61.802 7.336 2.814 1.00 0.00 N ATOM 244 CA ALA A 15 60.795 6.819 3.786 1.00 0.00 C ATOM 245 C ALA A 15 59.461 7.552 3.624 1.00 0.00 C ATOM 246 O ALA A 15 59.417 8.756 3.469 1.00 0.00 O ATOM 247 CB ALA A 15 61.395 7.104 5.163 1.00 0.00 C ATOM 0 H ALA A 15 61.844 8.351 2.726 1.00 0.00 H new ATOM 0 HA ALA A 15 60.590 5.759 3.636 1.00 0.00 H new ATOM 0 HB1 ALA A 15 60.713 6.752 5.937 1.00 0.00 H new ATOM 0 HB2 ALA A 15 62.350 6.586 5.258 1.00 0.00 H new ATOM 0 HB3 ALA A 15 61.551 8.177 5.277 1.00 0.00 H new ATOM 253 N LEU A 16 58.371 6.834 3.669 1.00 0.00 N ATOM 254 CA LEU A 16 57.039 7.489 3.526 1.00 0.00 C ATOM 255 C LEU A 16 56.678 8.223 4.819 1.00 0.00 C ATOM 256 O LEU A 16 55.880 9.140 4.825 1.00 0.00 O ATOM 257 CB LEU A 16 56.058 6.343 3.272 1.00 0.00 C ATOM 258 CG LEU A 16 55.556 6.406 1.828 1.00 0.00 C ATOM 259 CD1 LEU A 16 54.913 5.068 1.453 1.00 0.00 C ATOM 260 CD2 LEU A 16 54.516 7.520 1.698 1.00 0.00 C ATOM 0 H LEU A 16 58.345 5.823 3.799 1.00 0.00 H new ATOM 0 HA LEU A 16 57.022 8.224 2.722 1.00 0.00 H new ATOM 0 HB2 LEU A 16 56.546 5.386 3.456 1.00 0.00 H new ATOM 0 HB3 LEU A 16 55.218 6.411 3.963 1.00 0.00 H new ATOM 0 HG LEU A 16 56.394 6.609 1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 16 54.555 5.112 0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 16 55.651 4.271 1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 16 54.075 4.867 2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 16 54.158 7.565 0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 16 53.679 7.316 2.365 1.00 0.00 H new ATOM 0 HD23 LEU A 16 54.969 8.474 1.967 1.00 0.00 H new ATOM 272 N HIS A 17 57.261 7.826 5.917 1.00 0.00 N ATOM 273 CA HIS A 17 56.955 8.498 7.212 1.00 0.00 C ATOM 274 C HIS A 17 57.820 9.750 7.375 1.00 0.00 C ATOM 275 O HIS A 17 57.826 10.384 8.412 1.00 0.00 O ATOM 276 CB HIS A 17 57.301 7.465 8.284 1.00 0.00 C ATOM 277 CG HIS A 17 58.794 7.299 8.357 1.00 0.00 C ATOM 278 ND1 HIS A 17 59.594 8.141 9.113 1.00 0.00 N ATOM 279 CD2 HIS A 17 59.646 6.393 7.775 1.00 0.00 C ATOM 280 CE1 HIS A 17 60.867 7.730 8.966 1.00 0.00 C ATOM 281 NE2 HIS A 17 60.955 6.668 8.161 1.00 0.00 N ATOM 0 H HIS A 17 57.937 7.064 5.973 1.00 0.00 H new ATOM 0 HA HIS A 17 55.916 8.820 7.275 1.00 0.00 H new ATOM 0 HB2 HIS A 17 56.912 7.784 9.251 1.00 0.00 H new ATOM 0 HB3 HIS A 17 56.829 6.511 8.050 1.00 0.00 H new ATOM 0 HD2 HIS A 17 59.346 5.590 7.118 1.00 0.00 H new ATOM 0 HE1 HIS A 17 61.714 8.202 9.441 1.00 0.00 H new ATOM 0 HE2 HIS A 17 61.800 6.166 7.888 1.00 0.00 H new ATOM 289 N SER A 18 58.551 10.111 6.357 1.00 0.00 N ATOM 290 CA SER A 18 59.417 11.322 6.451 1.00 0.00 C ATOM 291 C SER A 18 59.211 12.211 5.223 1.00 0.00 C ATOM 292 O SER A 18 58.226 12.098 4.521 1.00 0.00 O ATOM 293 CB SER A 18 60.847 10.785 6.493 1.00 0.00 C ATOM 294 OG SER A 18 61.506 11.293 7.646 1.00 0.00 O ATOM 0 H SER A 18 58.587 9.620 5.463 1.00 0.00 H new ATOM 0 HA SER A 18 59.187 11.930 7.326 1.00 0.00 H new ATOM 0 HB2 SER A 18 60.838 9.695 6.516 1.00 0.00 H new ATOM 0 HB3 SER A 18 61.385 11.081 5.592 1.00 0.00 H new ATOM 0 HG SER A 18 62.423 10.949 7.677 1.00 0.00 H new ATOM 300 N ALA A 19 60.131 13.096 4.958 1.00 0.00 N ATOM 301 CA ALA A 19 59.984 13.992 3.776 1.00 0.00 C ATOM 302 C ALA A 19 61.219 13.897 2.876 1.00 0.00 C ATOM 303 O ALA A 19 61.552 14.825 2.166 1.00 0.00 O ATOM 304 CB ALA A 19 59.851 15.399 4.360 1.00 0.00 C ATOM 0 H ALA A 19 60.978 13.238 5.508 1.00 0.00 H new ATOM 0 HA ALA A 19 59.126 13.723 3.160 1.00 0.00 H new ATOM 0 HB1 ALA A 19 59.738 16.120 3.550 1.00 0.00 H new ATOM 0 HB2 ALA A 19 58.976 15.442 5.009 1.00 0.00 H new ATOM 0 HB3 ALA A 19 60.744 15.639 4.938 1.00 0.00 H new ATOM 310 N CYS A 20 61.900 12.783 2.898 1.00 0.00 N ATOM 311 CA CYS A 20 63.111 12.637 2.037 1.00 0.00 C ATOM 312 C CYS A 20 63.717 11.239 2.201 1.00 0.00 C ATOM 313 O CYS A 20 63.072 10.321 2.671 1.00 0.00 O ATOM 314 CB CYS A 20 64.083 13.704 2.538 1.00 0.00 C ATOM 315 SG CYS A 20 64.947 14.443 1.128 1.00 0.00 S ATOM 0 H CYS A 20 61.672 11.971 3.472 1.00 0.00 H new ATOM 0 HA CYS A 20 62.880 12.758 0.979 1.00 0.00 H new ATOM 0 HB2 CYS A 20 63.543 14.473 3.091 1.00 0.00 H new ATOM 0 HB3 CYS A 20 64.802 13.261 3.227 1.00 0.00 H new ATOM 0 HG CYS A 20 65.773 15.353 1.553 1.00 0.00 H new ATOM 321 N LYS A 21 64.952 11.073 1.812 1.00 0.00 N ATOM 322 CA LYS A 21 65.602 9.738 1.941 1.00 0.00 C ATOM 323 C LYS A 21 67.007 9.889 2.530 1.00 0.00 C ATOM 324 O LYS A 21 67.428 10.970 2.887 1.00 0.00 O ATOM 325 CB LYS A 21 65.674 9.192 0.513 1.00 0.00 C ATOM 326 CG LYS A 21 66.678 10.014 -0.297 1.00 0.00 C ATOM 327 CD LYS A 21 65.963 10.672 -1.480 1.00 0.00 C ATOM 328 CE LYS A 21 65.263 9.599 -2.315 1.00 0.00 C ATOM 329 NZ LYS A 21 63.820 9.970 -2.287 1.00 0.00 N ATOM 0 H LYS A 21 65.539 11.804 1.410 1.00 0.00 H new ATOM 0 HA LYS A 21 65.050 9.072 2.604 1.00 0.00 H new ATOM 0 HB2 LYS A 21 65.973 8.144 0.528 1.00 0.00 H new ATOM 0 HB3 LYS A 21 64.690 9.236 0.045 1.00 0.00 H new ATOM 0 HG2 LYS A 21 67.134 10.776 0.335 1.00 0.00 H new ATOM 0 HG3 LYS A 21 67.483 9.373 -0.656 1.00 0.00 H new ATOM 0 HD2 LYS A 21 65.236 11.399 -1.120 1.00 0.00 H new ATOM 0 HD3 LYS A 21 66.680 11.216 -2.095 1.00 0.00 H new ATOM 0 HE2 LYS A 21 65.646 9.580 -3.335 1.00 0.00 H new ATOM 0 HE3 LYS A 21 65.423 8.606 -1.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 63.243 9.139 -2.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 63.565 10.302 -1.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 63.643 10.728 -2.976 1.00 0.00 H new ATOM 343 N PHE A 22 67.735 8.810 2.635 1.00 0.00 N ATOM 344 CA PHE A 22 69.113 8.895 3.201 1.00 0.00 C ATOM 345 C PHE A 22 70.138 8.396 2.180 1.00 0.00 C ATOM 346 O PHE A 22 70.344 7.209 2.022 1.00 0.00 O ATOM 347 CB PHE A 22 69.098 7.983 4.427 1.00 0.00 C ATOM 348 CG PHE A 22 70.431 8.067 5.131 1.00 0.00 C ATOM 349 CD1 PHE A 22 71.097 9.295 5.220 1.00 0.00 C ATOM 350 CD2 PHE A 22 71.002 6.918 5.692 1.00 0.00 C ATOM 351 CE1 PHE A 22 72.333 9.376 5.871 1.00 0.00 C ATOM 352 CE2 PHE A 22 72.240 6.999 6.344 1.00 0.00 C ATOM 353 CZ PHE A 22 72.905 8.228 6.433 1.00 0.00 C ATOM 0 H PHE A 22 67.437 7.876 2.354 1.00 0.00 H new ATOM 0 HA PHE A 22 69.388 9.918 3.456 1.00 0.00 H new ATOM 0 HB2 PHE A 22 68.297 8.279 5.105 1.00 0.00 H new ATOM 0 HB3 PHE A 22 68.897 6.955 4.127 1.00 0.00 H new ATOM 0 HD1 PHE A 22 70.657 10.180 4.786 1.00 0.00 H new ATOM 0 HD2 PHE A 22 70.489 5.970 5.622 1.00 0.00 H new ATOM 0 HE1 PHE A 22 72.846 10.324 5.940 1.00 0.00 H new ATOM 0 HE2 PHE A 22 72.681 6.114 6.778 1.00 0.00 H new ATOM 0 HZ PHE A 22 73.859 8.291 6.935 1.00 0.00 H new ATOM 363 N GLY A 23 70.784 9.293 1.487 1.00 0.00 N ATOM 364 CA GLY A 23 71.796 8.867 0.480 1.00 0.00 C ATOM 365 C GLY A 23 73.023 8.303 1.198 1.00 0.00 C ATOM 366 O GLY A 23 73.984 9.004 1.447 1.00 0.00 O ATOM 0 H GLY A 23 70.655 10.301 1.574 1.00 0.00 H new ATOM 0 HA2 GLY A 23 71.371 8.113 -0.183 1.00 0.00 H new ATOM 0 HA3 GLY A 23 72.083 9.714 -0.143 1.00 0.00 H new ATOM 370 N VAL A 24 72.999 7.042 1.534 1.00 0.00 N ATOM 371 CA VAL A 24 74.168 6.439 2.237 1.00 0.00 C ATOM 372 C VAL A 24 74.984 5.576 1.268 1.00 0.00 C ATOM 373 O VAL A 24 74.441 4.829 0.479 1.00 0.00 O ATOM 374 CB VAL A 24 73.563 5.587 3.359 1.00 0.00 C ATOM 375 CG1 VAL A 24 73.064 4.251 2.800 1.00 0.00 C ATOM 376 CG2 VAL A 24 74.629 5.325 4.425 1.00 0.00 C ATOM 0 H VAL A 24 72.223 6.405 1.353 1.00 0.00 H new ATOM 0 HA VAL A 24 74.850 7.193 2.629 1.00 0.00 H new ATOM 0 HB VAL A 24 72.722 6.123 3.799 1.00 0.00 H new ATOM 0 HG11 VAL A 24 72.637 3.656 3.607 1.00 0.00 H new ATOM 0 HG12 VAL A 24 72.302 4.435 2.043 1.00 0.00 H new ATOM 0 HG13 VAL A 24 73.897 3.710 2.352 1.00 0.00 H new ATOM 0 HG21 VAL A 24 74.203 4.719 5.225 1.00 0.00 H new ATOM 0 HG22 VAL A 24 75.469 4.795 3.977 1.00 0.00 H new ATOM 0 HG23 VAL A 24 74.976 6.274 4.834 1.00 0.00 H new ATOM 386 N ALA A 25 76.286 5.677 1.317 1.00 0.00 N ATOM 387 CA ALA A 25 77.130 4.864 0.395 1.00 0.00 C ATOM 388 C ALA A 25 78.087 3.972 1.191 1.00 0.00 C ATOM 389 O ALA A 25 78.561 4.338 2.248 1.00 0.00 O ATOM 390 CB ALA A 25 77.913 5.887 -0.429 1.00 0.00 C ATOM 0 H ALA A 25 76.800 6.286 1.954 1.00 0.00 H new ATOM 0 HA ALA A 25 76.532 4.203 -0.232 1.00 0.00 H new ATOM 0 HB1 ALA A 25 78.561 5.367 -1.135 1.00 0.00 H new ATOM 0 HB2 ALA A 25 77.217 6.523 -0.976 1.00 0.00 H new ATOM 0 HB3 ALA A 25 78.520 6.502 0.236 1.00 0.00 H new ATOM 396 N ALA A 26 78.373 2.802 0.687 1.00 0.00 N ATOM 397 CA ALA A 26 79.300 1.882 1.408 1.00 0.00 C ATOM 398 C ALA A 26 79.799 0.789 0.460 1.00 0.00 C ATOM 399 O ALA A 26 79.033 0.188 -0.268 1.00 0.00 O ATOM 400 CB ALA A 26 78.460 1.279 2.534 1.00 0.00 C ATOM 0 H ALA A 26 78.005 2.443 -0.194 1.00 0.00 H new ATOM 0 HA ALA A 26 80.182 2.396 1.790 1.00 0.00 H new ATOM 0 HB1 ALA A 26 79.071 0.588 3.114 1.00 0.00 H new ATOM 0 HB2 ALA A 26 78.097 2.075 3.184 1.00 0.00 H new ATOM 0 HB3 ALA A 26 77.612 0.743 2.108 1.00 0.00 H new ATOM 406 N ARG A 27 81.078 0.528 0.458 1.00 0.00 N ATOM 407 CA ARG A 27 81.623 -0.524 -0.447 1.00 0.00 C ATOM 408 C ARG A 27 80.824 -1.822 -0.301 1.00 0.00 C ATOM 409 O ARG A 27 80.689 -2.587 -1.235 1.00 0.00 O ATOM 410 CB ARG A 27 83.069 -0.731 0.007 1.00 0.00 C ATOM 411 CG ARG A 27 83.835 0.587 -0.111 1.00 0.00 C ATOM 412 CD ARG A 27 84.807 0.509 -1.291 1.00 0.00 C ATOM 413 NE ARG A 27 86.156 0.403 -0.671 1.00 0.00 N ATOM 414 CZ ARG A 27 87.193 0.924 -1.270 1.00 0.00 C ATOM 415 NH1 ARG A 27 87.413 0.670 -2.531 1.00 0.00 N ATOM 416 NH2 ARG A 27 88.008 1.700 -0.608 1.00 0.00 N ATOM 0 H ARG A 27 81.769 0.997 1.044 1.00 0.00 H new ATOM 0 HA ARG A 27 81.562 -0.233 -1.496 1.00 0.00 H new ATOM 0 HB2 ARG A 27 83.090 -1.085 1.038 1.00 0.00 H new ATOM 0 HB3 ARG A 27 83.547 -1.497 -0.603 1.00 0.00 H new ATOM 0 HG2 ARG A 27 83.138 1.413 -0.254 1.00 0.00 H new ATOM 0 HG3 ARG A 27 84.381 0.786 0.811 1.00 0.00 H new ATOM 0 HD2 ARG A 27 84.594 -0.354 -1.922 1.00 0.00 H new ATOM 0 HD3 ARG A 27 84.732 1.393 -1.924 1.00 0.00 H new ATOM 0 HE ARG A 27 86.271 -0.077 0.222 1.00 0.00 H new ATOM 0 HH11 ARG A 27 86.775 0.065 -3.048 1.00 0.00 H new ATOM 0 HH12 ARG A 27 88.223 1.077 -2.999 1.00 0.00 H new ATOM 0 HH21 ARG A 27 87.835 1.899 0.377 1.00 0.00 H new ATOM 0 HH22 ARG A 27 88.818 2.107 -1.076 1.00 0.00 H new ATOM 430 N SER A 28 80.292 -2.075 0.862 1.00 0.00 N ATOM 431 CA SER A 28 79.503 -3.323 1.063 1.00 0.00 C ATOM 432 C SER A 28 78.005 -3.005 1.087 1.00 0.00 C ATOM 433 O SER A 28 77.453 -2.659 2.112 1.00 0.00 O ATOM 434 CB SER A 28 79.958 -3.867 2.417 1.00 0.00 C ATOM 435 OG SER A 28 80.289 -2.780 3.272 1.00 0.00 O ATOM 0 H SER A 28 80.369 -1.473 1.681 1.00 0.00 H new ATOM 0 HA SER A 28 79.661 -4.044 0.261 1.00 0.00 H new ATOM 0 HB2 SER A 28 79.167 -4.469 2.864 1.00 0.00 H new ATOM 0 HB3 SER A 28 80.821 -4.520 2.288 1.00 0.00 H new ATOM 0 HG SER A 28 80.865 -3.099 3.998 1.00 0.00 H new ATOM 441 N CYS A 29 77.346 -3.121 -0.036 1.00 0.00 N ATOM 442 CA CYS A 29 75.883 -2.827 -0.077 1.00 0.00 C ATOM 443 C CYS A 29 75.198 -3.411 1.161 1.00 0.00 C ATOM 444 O CYS A 29 74.227 -2.874 1.658 1.00 0.00 O ATOM 445 CB CYS A 29 75.375 -3.511 -1.345 1.00 0.00 C ATOM 446 SG CYS A 29 75.703 -5.288 -1.248 1.00 0.00 S ATOM 0 H CYS A 29 77.757 -3.406 -0.925 1.00 0.00 H new ATOM 0 HA CYS A 29 75.675 -1.757 -0.084 1.00 0.00 H new ATOM 0 HB2 CYS A 29 74.306 -3.334 -1.463 1.00 0.00 H new ATOM 0 HB3 CYS A 29 75.866 -3.087 -2.221 1.00 0.00 H new ATOM 0 HG CYS A 29 75.287 -5.866 -2.336 1.00 0.00 H new ATOM 452 N GLN A 30 75.700 -4.505 1.664 1.00 0.00 N ATOM 453 CA GLN A 30 75.083 -5.122 2.873 1.00 0.00 C ATOM 454 C GLN A 30 75.198 -4.166 4.063 1.00 0.00 C ATOM 455 O GLN A 30 74.358 -4.147 4.942 1.00 0.00 O ATOM 456 CB GLN A 30 75.895 -6.394 3.124 1.00 0.00 C ATOM 457 CG GLN A 30 74.968 -7.502 3.631 1.00 0.00 C ATOM 458 CD GLN A 30 75.555 -8.115 4.903 1.00 0.00 C ATOM 459 OE1 GLN A 30 76.721 -8.451 4.948 1.00 0.00 O ATOM 460 NE2 GLN A 30 74.789 -8.277 5.948 1.00 0.00 N ATOM 0 H GLN A 30 76.511 -4.999 1.290 1.00 0.00 H new ATOM 0 HA GLN A 30 74.023 -5.337 2.737 1.00 0.00 H new ATOM 0 HB2 GLN A 30 76.388 -6.710 2.205 1.00 0.00 H new ATOM 0 HB3 GLN A 30 76.679 -6.199 3.855 1.00 0.00 H new ATOM 0 HG2 GLN A 30 73.977 -7.097 3.834 1.00 0.00 H new ATOM 0 HG3 GLN A 30 74.849 -8.269 2.866 1.00 0.00 H new ATOM 0 HE21 GLN A 30 73.809 -7.995 5.911 1.00 0.00 H new ATOM 0 HE22 GLN A 30 75.170 -8.686 6.801 1.00 0.00 H new ATOM 469 N GLU A 31 76.232 -3.372 4.094 1.00 0.00 N ATOM 470 CA GLU A 31 76.407 -2.413 5.222 1.00 0.00 C ATOM 471 C GLU A 31 75.340 -1.317 5.155 1.00 0.00 C ATOM 472 O GLU A 31 74.901 -0.802 6.164 1.00 0.00 O ATOM 473 CB GLU A 31 77.801 -1.814 5.023 1.00 0.00 C ATOM 474 CG GLU A 31 78.243 -1.110 6.308 1.00 0.00 C ATOM 475 CD GLU A 31 79.724 -0.744 6.206 1.00 0.00 C ATOM 476 OE1 GLU A 31 80.318 -1.041 5.182 1.00 0.00 O ATOM 477 OE2 GLU A 31 80.240 -0.173 7.152 1.00 0.00 O ATOM 0 H GLU A 31 76.965 -3.345 3.386 1.00 0.00 H new ATOM 0 HA GLU A 31 76.306 -2.897 6.193 1.00 0.00 H new ATOM 0 HB2 GLU A 31 78.512 -2.598 4.763 1.00 0.00 H new ATOM 0 HB3 GLU A 31 77.789 -1.107 4.194 1.00 0.00 H new ATOM 0 HG2 GLU A 31 77.646 -0.212 6.467 1.00 0.00 H new ATOM 0 HG3 GLU A 31 78.076 -1.760 7.167 1.00 0.00 H new ATOM 484 N LEU A 32 74.920 -0.959 3.973 1.00 0.00 N ATOM 485 CA LEU A 32 73.880 0.103 3.844 1.00 0.00 C ATOM 486 C LEU A 32 72.500 -0.471 4.171 1.00 0.00 C ATOM 487 O LEU A 32 71.638 0.216 4.680 1.00 0.00 O ATOM 488 CB LEU A 32 73.941 0.554 2.384 1.00 0.00 C ATOM 489 CG LEU A 32 75.228 1.347 2.139 1.00 0.00 C ATOM 490 CD1 LEU A 32 75.134 2.065 0.791 1.00 0.00 C ATOM 491 CD2 LEU A 32 75.419 2.381 3.251 1.00 0.00 C ATOM 0 H LEU A 32 75.250 -1.354 3.092 1.00 0.00 H new ATOM 0 HA LEU A 32 74.053 0.933 4.530 1.00 0.00 H new ATOM 0 HB2 LEU A 32 73.906 -0.313 1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 32 73.073 1.170 2.147 1.00 0.00 H new ATOM 0 HG LEU A 32 76.076 0.662 2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 32 76.049 2.630 0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 32 75.002 1.331 -0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 32 74.283 2.746 0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 32 76.336 2.943 3.072 1.00 0.00 H new ATOM 0 HD22 LEU A 32 74.571 3.065 3.261 1.00 0.00 H new ATOM 0 HD23 LEU A 32 75.487 1.873 4.213 1.00 0.00 H new ATOM 503 N LEU A 33 72.285 -1.727 3.887 1.00 0.00 N ATOM 504 CA LEU A 33 70.959 -2.336 4.191 1.00 0.00 C ATOM 505 C LEU A 33 70.747 -2.382 5.706 1.00 0.00 C ATOM 506 O LEU A 33 69.796 -1.832 6.225 1.00 0.00 O ATOM 507 CB LEU A 33 71.027 -3.752 3.615 1.00 0.00 C ATOM 508 CG LEU A 33 71.110 -3.679 2.090 1.00 0.00 C ATOM 509 CD1 LEU A 33 71.281 -5.089 1.522 1.00 0.00 C ATOM 510 CD2 LEU A 33 69.822 -3.061 1.538 1.00 0.00 C ATOM 0 H LEU A 33 72.966 -2.355 3.460 1.00 0.00 H new ATOM 0 HA LEU A 33 70.132 -1.768 3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 33 71.896 -4.276 4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 33 70.147 -4.321 3.915 1.00 0.00 H new ATOM 0 HG LEU A 33 71.962 -3.064 1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 33 71.340 -5.039 0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 33 72.196 -5.531 1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.428 -5.703 1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 33 69.880 -3.009 0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 33 68.970 -3.677 1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 33 69.697 -2.057 1.943 1.00 0.00 H new ATOM 522 N ARG A 34 71.631 -3.025 6.420 1.00 0.00 N ATOM 523 CA ARG A 34 71.478 -3.094 7.902 1.00 0.00 C ATOM 524 C ARG A 34 71.463 -1.681 8.484 1.00 0.00 C ATOM 525 O ARG A 34 70.538 -1.285 9.166 1.00 0.00 O ATOM 526 CB ARG A 34 72.699 -3.870 8.396 1.00 0.00 C ATOM 527 CG ARG A 34 72.699 -3.898 9.926 1.00 0.00 C ATOM 528 CD ARG A 34 72.723 -5.349 10.411 1.00 0.00 C ATOM 529 NE ARG A 34 72.564 -5.262 11.889 1.00 0.00 N ATOM 530 CZ ARG A 34 73.548 -4.821 12.625 1.00 0.00 C ATOM 531 NH1 ARG A 34 74.447 -5.653 13.076 1.00 0.00 N ATOM 532 NH2 ARG A 34 73.633 -3.549 12.910 1.00 0.00 N ATOM 0 H ARG A 34 72.449 -3.504 6.043 1.00 0.00 H new ATOM 0 HA ARG A 34 70.549 -3.577 8.204 1.00 0.00 H new ATOM 0 HB2 ARG A 34 72.681 -4.886 8.003 1.00 0.00 H new ATOM 0 HB3 ARG A 34 73.613 -3.403 8.030 1.00 0.00 H new ATOM 0 HG2 ARG A 34 73.566 -3.361 10.310 1.00 0.00 H new ATOM 0 HG3 ARG A 34 71.814 -3.390 10.309 1.00 0.00 H new ATOM 0 HD2 ARG A 34 71.918 -5.929 9.961 1.00 0.00 H new ATOM 0 HD3 ARG A 34 73.658 -5.840 10.143 1.00 0.00 H new ATOM 0 HE ARG A 34 71.687 -5.547 12.326 1.00 0.00 H new ATOM 0 HH11 ARG A 34 74.380 -6.646 12.853 1.00 0.00 H new ATOM 0 HH12 ARG A 34 75.216 -5.310 13.651 1.00 0.00 H new ATOM 0 HH21 ARG A 34 72.930 -2.899 12.557 1.00 0.00 H new ATOM 0 HH22 ARG A 34 74.402 -3.206 13.485 1.00 0.00 H new ATOM 546 N LYS A 35 72.479 -0.914 8.210 1.00 0.00 N ATOM 547 CA LYS A 35 72.524 0.480 8.735 1.00 0.00 C ATOM 548 C LYS A 35 71.258 1.229 8.314 1.00 0.00 C ATOM 549 O LYS A 35 70.817 2.148 8.974 1.00 0.00 O ATOM 550 CB LYS A 35 73.760 1.108 8.087 1.00 0.00 C ATOM 551 CG LYS A 35 75.022 0.457 8.655 1.00 0.00 C ATOM 552 CD LYS A 35 76.246 0.965 7.891 1.00 0.00 C ATOM 553 CE LYS A 35 76.502 2.432 8.248 1.00 0.00 C ATOM 554 NZ LYS A 35 76.828 2.424 9.701 1.00 0.00 N ATOM 0 H LYS A 35 73.282 -1.191 7.645 1.00 0.00 H new ATOM 0 HA LYS A 35 72.576 0.517 9.823 1.00 0.00 H new ATOM 0 HB2 LYS A 35 73.724 0.974 7.006 1.00 0.00 H new ATOM 0 HB3 LYS A 35 73.776 2.182 8.275 1.00 0.00 H new ATOM 0 HG2 LYS A 35 75.119 0.691 9.715 1.00 0.00 H new ATOM 0 HG3 LYS A 35 74.953 -0.628 8.573 1.00 0.00 H new ATOM 0 HD2 LYS A 35 77.119 0.362 8.140 1.00 0.00 H new ATOM 0 HD3 LYS A 35 76.085 0.864 6.818 1.00 0.00 H new ATOM 0 HE2 LYS A 35 77.324 2.843 7.661 1.00 0.00 H new ATOM 0 HE3 LYS A 35 75.625 3.047 8.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 77.503 3.188 9.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 75.959 2.570 10.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 77.251 1.509 9.957 1.00 0.00 H new ATOM 568 N GLY A 36 70.669 0.834 7.217 1.00 0.00 N ATOM 569 CA GLY A 36 69.430 1.513 6.747 1.00 0.00 C ATOM 570 C GLY A 36 68.288 1.203 7.715 1.00 0.00 C ATOM 571 O GLY A 36 67.616 2.090 8.201 1.00 0.00 O ATOM 0 H GLY A 36 70.994 0.069 6.626 1.00 0.00 H new ATOM 0 HA2 GLY A 36 69.591 2.589 6.689 1.00 0.00 H new ATOM 0 HA3 GLY A 36 69.174 1.174 5.743 1.00 0.00 H new ATOM 575 N CYS A 37 68.068 -0.052 8.008 1.00 0.00 N ATOM 576 CA CYS A 37 66.973 -0.406 8.954 1.00 0.00 C ATOM 577 C CYS A 37 67.303 0.135 10.347 1.00 0.00 C ATOM 578 O CYS A 37 66.457 0.205 11.217 1.00 0.00 O ATOM 579 CB CYS A 37 66.926 -1.933 8.970 1.00 0.00 C ATOM 580 SG CYS A 37 65.774 -2.482 10.253 1.00 0.00 S ATOM 0 H CYS A 37 68.596 -0.841 7.635 1.00 0.00 H new ATOM 0 HA CYS A 37 66.015 0.019 8.656 1.00 0.00 H new ATOM 0 HB2 CYS A 37 66.610 -2.309 7.997 1.00 0.00 H new ATOM 0 HB3 CYS A 37 67.920 -2.337 9.161 1.00 0.00 H new ATOM 0 HG CYS A 37 64.763 -3.084 9.700 1.00 0.00 H new ATOM 586 N VAL A 38 68.531 0.525 10.561 1.00 0.00 N ATOM 587 CA VAL A 38 68.921 1.072 11.890 1.00 0.00 C ATOM 588 C VAL A 38 68.657 2.579 11.921 1.00 0.00 C ATOM 589 O VAL A 38 68.099 3.104 12.864 1.00 0.00 O ATOM 590 CB VAL A 38 70.417 0.783 12.016 1.00 0.00 C ATOM 591 CG1 VAL A 38 70.984 1.538 13.219 1.00 0.00 C ATOM 592 CG2 VAL A 38 70.630 -0.719 12.213 1.00 0.00 C ATOM 0 H VAL A 38 69.281 0.488 9.871 1.00 0.00 H new ATOM 0 HA VAL A 38 68.356 0.627 12.710 1.00 0.00 H new ATOM 0 HB VAL A 38 70.927 1.109 11.109 1.00 0.00 H new ATOM 0 HG11 VAL A 38 72.051 1.332 13.308 1.00 0.00 H new ATOM 0 HG12 VAL A 38 70.832 2.609 13.081 1.00 0.00 H new ATOM 0 HG13 VAL A 38 70.474 1.213 14.126 1.00 0.00 H new ATOM 0 HG21 VAL A 38 71.696 -0.927 12.303 1.00 0.00 H new ATOM 0 HG22 VAL A 38 70.119 -1.043 13.120 1.00 0.00 H new ATOM 0 HG23 VAL A 38 70.226 -1.259 11.357 1.00 0.00 H new ATOM 602 N ARG A 39 69.047 3.277 10.888 1.00 0.00 N ATOM 603 CA ARG A 39 68.810 4.747 10.850 1.00 0.00 C ATOM 604 C ARG A 39 67.324 5.020 10.600 1.00 0.00 C ATOM 605 O ARG A 39 66.804 6.061 10.948 1.00 0.00 O ATOM 606 CB ARG A 39 69.653 5.257 9.680 1.00 0.00 C ATOM 607 CG ARG A 39 70.310 6.586 10.063 1.00 0.00 C ATOM 608 CD ARG A 39 71.629 6.313 10.791 1.00 0.00 C ATOM 609 NE ARG A 39 72.172 7.660 11.120 1.00 0.00 N ATOM 610 CZ ARG A 39 72.483 7.953 12.353 1.00 0.00 C ATOM 611 NH1 ARG A 39 73.513 7.386 12.918 1.00 0.00 N ATOM 612 NH2 ARG A 39 71.762 8.812 13.021 1.00 0.00 N ATOM 0 H ARG A 39 69.519 2.892 10.070 1.00 0.00 H new ATOM 0 HA ARG A 39 69.079 5.239 11.785 1.00 0.00 H new ATOM 0 HB2 ARG A 39 70.416 4.523 9.421 1.00 0.00 H new ATOM 0 HB3 ARG A 39 69.027 5.390 8.798 1.00 0.00 H new ATOM 0 HG2 ARG A 39 70.492 7.184 9.170 1.00 0.00 H new ATOM 0 HG3 ARG A 39 69.642 7.163 10.703 1.00 0.00 H new ATOM 0 HD2 ARG A 39 71.468 5.721 11.692 1.00 0.00 H new ATOM 0 HD3 ARG A 39 72.319 5.752 10.161 1.00 0.00 H new ATOM 0 HE ARG A 39 72.301 8.353 10.382 1.00 0.00 H new ATOM 0 HH11 ARG A 39 74.075 6.714 12.396 1.00 0.00 H new ATOM 0 HH12 ARG A 39 73.756 7.615 13.882 1.00 0.00 H new ATOM 0 HH21 ARG A 39 70.956 9.254 12.579 1.00 0.00 H new ATOM 0 HH22 ARG A 39 72.005 9.041 13.985 1.00 0.00 H new ATOM 626 N PHE A 40 66.640 4.082 10.002 1.00 0.00 N ATOM 627 CA PHE A 40 65.187 4.270 9.730 1.00 0.00 C ATOM 628 C PHE A 40 64.366 3.479 10.751 1.00 0.00 C ATOM 629 O PHE A 40 63.186 3.708 10.928 1.00 0.00 O ATOM 630 CB PHE A 40 64.977 3.722 8.318 1.00 0.00 C ATOM 631 CG PHE A 40 65.177 4.834 7.316 1.00 0.00 C ATOM 632 CD1 PHE A 40 66.061 5.882 7.600 1.00 0.00 C ATOM 633 CD2 PHE A 40 64.474 4.822 6.105 1.00 0.00 C ATOM 634 CE1 PHE A 40 66.241 6.917 6.676 1.00 0.00 C ATOM 635 CE2 PHE A 40 64.654 5.856 5.179 1.00 0.00 C ATOM 636 CZ PHE A 40 65.537 6.904 5.466 1.00 0.00 C ATOM 0 H PHE A 40 67.027 3.191 9.690 1.00 0.00 H new ATOM 0 HA PHE A 40 64.874 5.311 9.807 1.00 0.00 H new ATOM 0 HB2 PHE A 40 65.678 2.910 8.123 1.00 0.00 H new ATOM 0 HB3 PHE A 40 63.974 3.307 8.222 1.00 0.00 H new ATOM 0 HD1 PHE A 40 66.604 5.891 8.533 1.00 0.00 H new ATOM 0 HD2 PHE A 40 63.792 4.014 5.885 1.00 0.00 H new ATOM 0 HE1 PHE A 40 66.923 7.725 6.896 1.00 0.00 H new ATOM 0 HE2 PHE A 40 64.113 5.845 4.245 1.00 0.00 H new ATOM 0 HZ PHE A 40 65.675 7.703 4.753 1.00 0.00 H new ATOM 646 N GLN A 41 64.991 2.554 11.428 1.00 0.00 N ATOM 647 CA GLN A 41 64.264 1.745 12.449 1.00 0.00 C ATOM 648 C GLN A 41 63.135 0.938 11.800 1.00 0.00 C ATOM 649 O GLN A 41 62.005 1.380 11.728 1.00 0.00 O ATOM 650 CB GLN A 41 63.693 2.768 13.432 1.00 0.00 C ATOM 651 CG GLN A 41 64.563 2.806 14.689 1.00 0.00 C ATOM 652 CD GLN A 41 65.236 4.175 14.802 1.00 0.00 C ATOM 653 OE1 GLN A 41 65.797 4.700 13.748 1.00 0.00 O flip ATOM 654 NE2 GLN A 41 65.251 4.772 15.860 1.00 0.00 N flip ATOM 0 H GLN A 41 65.978 2.323 11.318 1.00 0.00 H new ATOM 0 HA GLN A 41 64.920 1.025 12.939 1.00 0.00 H new ATOM 0 HB2 GLN A 41 63.660 3.754 12.969 1.00 0.00 H new ATOM 0 HB3 GLN A 41 62.668 2.505 13.694 1.00 0.00 H new ATOM 0 HG2 GLN A 41 63.953 2.615 15.572 1.00 0.00 H new ATOM 0 HG3 GLN A 41 65.317 2.020 14.646 1.00 0.00 H new ATOM 0 HE21 GLN A 41 64.812 4.361 16.684 1.00 0.00 H new ATOM 0 HE22 GLN A 41 65.702 5.684 15.924 1.00 0.00 H new ATOM 663 N LEU A 42 63.428 -0.248 11.339 1.00 0.00 N ATOM 664 CA LEU A 42 62.366 -1.085 10.708 1.00 0.00 C ATOM 665 C LEU A 42 62.436 -2.516 11.248 1.00 0.00 C ATOM 666 O LEU A 42 63.227 -3.316 10.790 1.00 0.00 O ATOM 667 CB LEU A 42 62.674 -1.059 9.211 1.00 0.00 C ATOM 668 CG LEU A 42 61.365 -1.133 8.423 1.00 0.00 C ATOM 669 CD1 LEU A 42 60.517 -2.290 8.951 1.00 0.00 C ATOM 670 CD2 LEU A 42 60.594 0.180 8.592 1.00 0.00 C ATOM 0 H LEU A 42 64.355 -0.673 11.372 1.00 0.00 H new ATOM 0 HA LEU A 42 61.364 -0.712 10.921 1.00 0.00 H new ATOM 0 HB2 LEU A 42 63.215 -0.148 8.955 1.00 0.00 H new ATOM 0 HB3 LEU A 42 63.319 -1.897 8.946 1.00 0.00 H new ATOM 0 HG LEU A 42 61.585 -1.294 7.368 1.00 0.00 H new ATOM 0 HD11 LEU A 42 59.584 -2.343 8.390 1.00 0.00 H new ATOM 0 HD12 LEU A 42 61.064 -3.225 8.834 1.00 0.00 H new ATOM 0 HD13 LEU A 42 60.297 -2.128 10.006 1.00 0.00 H new ATOM 0 HD21 LEU A 42 59.661 0.129 8.031 1.00 0.00 H new ATOM 0 HD22 LEU A 42 60.374 0.340 9.648 1.00 0.00 H new ATOM 0 HD23 LEU A 42 61.197 1.007 8.218 1.00 0.00 H new ATOM 682 N PRO A 43 61.605 -2.787 12.216 1.00 0.00 N ATOM 683 CA PRO A 43 61.571 -4.134 12.834 1.00 0.00 C ATOM 684 C PRO A 43 60.883 -5.130 11.897 1.00 0.00 C ATOM 685 O PRO A 43 60.740 -4.884 10.716 1.00 0.00 O ATOM 686 CB PRO A 43 60.762 -3.920 14.110 1.00 0.00 C ATOM 687 CG PRO A 43 59.904 -2.723 13.835 1.00 0.00 C ATOM 688 CD PRO A 43 60.624 -1.876 12.814 1.00 0.00 C ATOM 0 HA PRO A 43 62.560 -4.546 13.033 1.00 0.00 H new ATOM 0 HB2 PRO A 43 60.155 -4.795 14.343 1.00 0.00 H new ATOM 0 HB3 PRO A 43 61.415 -3.748 14.966 1.00 0.00 H new ATOM 0 HG2 PRO A 43 58.927 -3.029 13.460 1.00 0.00 H new ATOM 0 HG3 PRO A 43 59.731 -2.157 14.750 1.00 0.00 H new ATOM 0 HD2 PRO A 43 59.936 -1.485 12.065 1.00 0.00 H new ATOM 0 HD3 PRO A 43 61.109 -1.018 13.280 1.00 0.00 H new ATOM 734 N SER A 47 56.059 -5.058 8.623 1.00 0.00 N ATOM 735 CA SER A 47 56.319 -3.907 7.712 1.00 0.00 C ATOM 736 C SER A 47 57.025 -4.388 6.444 1.00 0.00 C ATOM 737 O SER A 47 56.997 -5.557 6.114 1.00 0.00 O ATOM 738 CB SER A 47 57.227 -2.971 8.510 1.00 0.00 C ATOM 739 OG SER A 47 56.566 -2.573 9.703 1.00 0.00 O ATOM 0 HA SER A 47 55.401 -3.413 7.395 1.00 0.00 H new ATOM 0 HB2 SER A 47 58.164 -3.474 8.751 1.00 0.00 H new ATOM 0 HB3 SER A 47 57.480 -2.095 7.912 1.00 0.00 H new ATOM 0 HG SER A 47 55.936 -3.272 9.977 1.00 0.00 H new ATOM 745 N ARG A 48 57.660 -3.501 5.726 1.00 0.00 N ATOM 746 CA ARG A 48 58.364 -3.925 4.483 1.00 0.00 C ATOM 747 C ARG A 48 58.955 -2.717 3.750 1.00 0.00 C ATOM 748 O ARG A 48 58.480 -1.607 3.875 1.00 0.00 O ATOM 749 CB ARG A 48 57.285 -4.594 3.631 1.00 0.00 C ATOM 750 CG ARG A 48 57.557 -6.099 3.558 1.00 0.00 C ATOM 751 CD ARG A 48 57.306 -6.594 2.132 1.00 0.00 C ATOM 752 NE ARG A 48 56.567 -7.877 2.297 1.00 0.00 N ATOM 753 CZ ARG A 48 56.465 -8.705 1.292 1.00 0.00 C ATOM 754 NH1 ARG A 48 57.539 -9.218 0.757 1.00 0.00 N ATOM 755 NH2 ARG A 48 55.288 -9.016 0.822 1.00 0.00 N ATOM 0 H ARG A 48 57.721 -2.507 5.945 1.00 0.00 H new ATOM 0 HA ARG A 48 59.198 -4.594 4.695 1.00 0.00 H new ATOM 0 HB2 ARG A 48 56.300 -4.411 4.062 1.00 0.00 H new ATOM 0 HB3 ARG A 48 57.279 -4.165 2.629 1.00 0.00 H new ATOM 0 HG2 ARG A 48 58.586 -6.308 3.851 1.00 0.00 H new ATOM 0 HG3 ARG A 48 56.912 -6.630 4.258 1.00 0.00 H new ATOM 0 HD2 ARG A 48 56.722 -5.872 1.560 1.00 0.00 H new ATOM 0 HD3 ARG A 48 58.243 -6.744 1.595 1.00 0.00 H new ATOM 0 HE ARG A 48 56.141 -8.109 3.194 1.00 0.00 H new ATOM 0 HH11 ARG A 48 58.459 -8.972 1.124 1.00 0.00 H new ATOM 0 HH12 ARG A 48 57.459 -9.865 -0.028 1.00 0.00 H new ATOM 0 HH21 ARG A 48 54.449 -8.613 1.239 1.00 0.00 H new ATOM 0 HH22 ARG A 48 55.207 -9.662 0.037 1.00 0.00 H new ATOM 769 N LEU A 49 59.991 -2.932 2.985 1.00 0.00 N ATOM 770 CA LEU A 49 60.621 -1.809 2.235 1.00 0.00 C ATOM 771 C LEU A 49 60.455 -2.029 0.729 1.00 0.00 C ATOM 772 O LEU A 49 60.955 -2.987 0.174 1.00 0.00 O ATOM 773 CB LEU A 49 62.098 -1.855 2.623 1.00 0.00 C ATOM 774 CG LEU A 49 62.317 -1.014 3.879 1.00 0.00 C ATOM 775 CD1 LEU A 49 63.065 -1.840 4.926 1.00 0.00 C ATOM 776 CD2 LEU A 49 63.144 0.224 3.522 1.00 0.00 C ATOM 0 H LEU A 49 60.430 -3.842 2.847 1.00 0.00 H new ATOM 0 HA LEU A 49 60.169 -0.846 2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 49 62.407 -2.885 2.803 1.00 0.00 H new ATOM 0 HB3 LEU A 49 62.712 -1.476 1.806 1.00 0.00 H new ATOM 0 HG LEU A 49 61.352 -0.707 4.283 1.00 0.00 H new ATOM 0 HD11 LEU A 49 63.220 -1.238 5.821 1.00 0.00 H new ATOM 0 HD12 LEU A 49 62.479 -2.723 5.180 1.00 0.00 H new ATOM 0 HD13 LEU A 49 64.030 -2.149 4.524 1.00 0.00 H new ATOM 0 HD21 LEU A 49 63.302 0.826 4.417 1.00 0.00 H new ATOM 0 HD22 LEU A 49 64.108 -0.086 3.119 1.00 0.00 H new ATOM 0 HD23 LEU A 49 62.612 0.815 2.776 1.00 0.00 H new ATOM 788 N CYS A 50 59.752 -1.156 0.066 1.00 0.00 N ATOM 789 CA CYS A 50 59.549 -1.325 -1.402 1.00 0.00 C ATOM 790 C CYS A 50 60.597 -0.533 -2.188 1.00 0.00 C ATOM 791 O CYS A 50 61.458 0.113 -1.623 1.00 0.00 O ATOM 792 CB CYS A 50 58.151 -0.771 -1.670 1.00 0.00 C ATOM 793 SG CYS A 50 56.913 -2.001 -1.192 1.00 0.00 S ATOM 0 H CYS A 50 59.309 -0.333 0.475 1.00 0.00 H new ATOM 0 HA CYS A 50 59.648 -2.365 -1.711 1.00 0.00 H new ATOM 0 HB2 CYS A 50 57.999 0.151 -1.108 1.00 0.00 H new ATOM 0 HB3 CYS A 50 58.043 -0.522 -2.726 1.00 0.00 H new ATOM 0 HG CYS A 50 55.723 -1.529 -1.418 1.00 0.00 H new ATOM 799 N LEU A 51 60.525 -0.580 -3.490 1.00 0.00 N ATOM 800 CA LEU A 51 61.506 0.163 -4.328 1.00 0.00 C ATOM 801 C LEU A 51 60.829 1.359 -5.001 1.00 0.00 C ATOM 802 O LEU A 51 59.858 1.211 -5.717 1.00 0.00 O ATOM 803 CB LEU A 51 61.963 -0.847 -5.376 1.00 0.00 C ATOM 804 CG LEU A 51 63.426 -1.203 -5.133 1.00 0.00 C ATOM 805 CD1 LEU A 51 63.541 -2.679 -4.752 1.00 0.00 C ATOM 806 CD2 LEU A 51 64.220 -0.946 -6.411 1.00 0.00 C ATOM 0 H LEU A 51 59.823 -1.105 -4.012 1.00 0.00 H new ATOM 0 HA LEU A 51 62.337 0.557 -3.743 1.00 0.00 H new ATOM 0 HB2 LEU A 51 61.346 -1.744 -5.326 1.00 0.00 H new ATOM 0 HB3 LEU A 51 61.840 -0.431 -6.376 1.00 0.00 H new ATOM 0 HG LEU A 51 63.821 -0.591 -4.322 1.00 0.00 H new ATOM 0 HD11 LEU A 51 64.588 -2.930 -4.579 1.00 0.00 H new ATOM 0 HD12 LEU A 51 62.968 -2.866 -3.844 1.00 0.00 H new ATOM 0 HD13 LEU A 51 63.149 -3.295 -5.561 1.00 0.00 H new ATOM 0 HD21 LEU A 51 65.267 -1.198 -6.245 1.00 0.00 H new ATOM 0 HD22 LEU A 51 63.821 -1.562 -7.217 1.00 0.00 H new ATOM 0 HD23 LEU A 51 64.139 0.106 -6.684 1.00 0.00 H new ATOM 818 N TYR A 52 61.336 2.539 -4.779 1.00 0.00 N ATOM 819 CA TYR A 52 60.727 3.747 -5.405 1.00 0.00 C ATOM 820 C TYR A 52 60.956 3.728 -6.918 1.00 0.00 C ATOM 821 O TYR A 52 60.430 4.546 -7.647 1.00 0.00 O ATOM 822 CB TYR A 52 61.458 4.927 -4.767 1.00 0.00 C ATOM 823 CG TYR A 52 60.552 6.135 -4.743 1.00 0.00 C ATOM 824 CD1 TYR A 52 59.329 6.081 -4.065 1.00 0.00 C ATOM 825 CD2 TYR A 52 60.939 7.312 -5.397 1.00 0.00 C ATOM 826 CE1 TYR A 52 58.492 7.203 -4.039 1.00 0.00 C ATOM 827 CE2 TYR A 52 60.101 8.432 -5.373 1.00 0.00 C ATOM 828 CZ TYR A 52 58.879 8.378 -4.693 1.00 0.00 C ATOM 829 OH TYR A 52 58.055 9.485 -4.667 1.00 0.00 O ATOM 0 H TYR A 52 62.148 2.720 -4.189 1.00 0.00 H new ATOM 0 HA TYR A 52 59.650 3.799 -5.248 1.00 0.00 H new ATOM 0 HB2 TYR A 52 61.766 4.671 -3.753 1.00 0.00 H new ATOM 0 HB3 TYR A 52 62.365 5.152 -5.328 1.00 0.00 H new ATOM 0 HD1 TYR A 52 59.031 5.173 -3.562 1.00 0.00 H new ATOM 0 HD2 TYR A 52 61.883 7.355 -5.919 1.00 0.00 H new ATOM 0 HE1 TYR A 52 57.549 7.162 -3.515 1.00 0.00 H new ATOM 0 HE2 TYR A 52 60.397 9.339 -5.879 1.00 0.00 H new ATOM 0 HH TYR A 52 58.473 10.216 -5.168 1.00 0.00 H new ATOM 839 N GLU A 53 61.740 2.801 -7.396 1.00 0.00 N ATOM 840 CA GLU A 53 62.007 2.730 -8.862 1.00 0.00 C ATOM 841 C GLU A 53 60.702 2.516 -9.631 1.00 0.00 C ATOM 842 O GLU A 53 60.442 3.171 -10.621 1.00 0.00 O ATOM 843 CB GLU A 53 62.938 1.530 -9.038 1.00 0.00 C ATOM 844 CG GLU A 53 63.021 1.163 -10.522 1.00 0.00 C ATOM 845 CD GLU A 53 64.445 0.719 -10.860 1.00 0.00 C ATOM 846 OE1 GLU A 53 65.215 0.515 -9.937 1.00 0.00 O ATOM 847 OE2 GLU A 53 64.741 0.591 -12.037 1.00 0.00 O ATOM 0 H GLU A 53 62.208 2.089 -6.835 1.00 0.00 H new ATOM 0 HA GLU A 53 62.450 3.649 -9.244 1.00 0.00 H new ATOM 0 HB2 GLU A 53 63.931 1.767 -8.655 1.00 0.00 H new ATOM 0 HB3 GLU A 53 62.568 0.681 -8.462 1.00 0.00 H new ATOM 0 HG2 GLU A 53 62.316 0.363 -10.750 1.00 0.00 H new ATOM 0 HG3 GLU A 53 62.741 2.019 -11.135 1.00 0.00 H new ATOM 854 N ASP A 54 59.880 1.602 -9.190 1.00 0.00 N ATOM 855 CA ASP A 54 58.595 1.350 -9.906 1.00 0.00 C ATOM 856 C ASP A 54 57.562 0.739 -8.955 1.00 0.00 C ATOM 857 O ASP A 54 56.737 -0.061 -9.350 1.00 0.00 O ATOM 858 CB ASP A 54 58.951 0.361 -11.017 1.00 0.00 C ATOM 859 CG ASP A 54 58.765 1.032 -12.378 1.00 0.00 C ATOM 860 OD1 ASP A 54 57.799 1.763 -12.530 1.00 0.00 O ATOM 861 OD2 ASP A 54 59.590 0.805 -13.247 1.00 0.00 O ATOM 0 H ASP A 54 60.041 1.020 -8.368 1.00 0.00 H new ATOM 0 HA ASP A 54 58.156 2.268 -10.298 1.00 0.00 H new ATOM 0 HB2 ASP A 54 59.982 0.026 -10.903 1.00 0.00 H new ATOM 0 HB3 ASP A 54 58.318 -0.524 -10.947 1.00 0.00 H new ATOM 866 N GLY A 55 57.598 1.111 -7.704 1.00 0.00 N ATOM 867 CA GLY A 55 56.616 0.551 -6.733 1.00 0.00 C ATOM 868 C GLY A 55 56.913 -0.930 -6.494 1.00 0.00 C ATOM 869 O GLY A 55 56.018 -1.722 -6.271 1.00 0.00 O ATOM 0 H GLY A 55 58.264 1.777 -7.313 1.00 0.00 H new ATOM 0 HA2 GLY A 55 56.668 1.099 -5.792 1.00 0.00 H new ATOM 0 HA3 GLY A 55 55.603 0.671 -7.116 1.00 0.00 H new ATOM 873 N THR A 56 58.159 -1.313 -6.534 1.00 0.00 N ATOM 874 CA THR A 56 58.502 -2.747 -6.304 1.00 0.00 C ATOM 875 C THR A 56 58.394 -3.074 -4.813 1.00 0.00 C ATOM 876 O THR A 56 58.315 -2.193 -3.981 1.00 0.00 O ATOM 877 CB THR A 56 59.942 -2.905 -6.798 1.00 0.00 C ATOM 878 OG1 THR A 56 60.426 -1.657 -7.271 1.00 0.00 O ATOM 879 CG2 THR A 56 59.981 -3.930 -7.931 1.00 0.00 C ATOM 0 H THR A 56 58.953 -0.699 -6.715 1.00 0.00 H new ATOM 0 HA THR A 56 57.828 -3.425 -6.828 1.00 0.00 H new ATOM 0 HB THR A 56 60.571 -3.246 -5.975 1.00 0.00 H new ATOM 0 HG1 THR A 56 61.193 -1.806 -7.862 1.00 0.00 H new ATOM 0 HG21 THR A 56 61.006 -4.044 -8.284 1.00 0.00 H new ATOM 0 HG22 THR A 56 59.614 -4.890 -7.566 1.00 0.00 H new ATOM 0 HG23 THR A 56 59.350 -3.589 -8.752 1.00 0.00 H new ATOM 887 N GLU A 57 58.380 -4.330 -4.465 1.00 0.00 N ATOM 888 CA GLU A 57 58.267 -4.696 -3.023 1.00 0.00 C ATOM 889 C GLU A 57 59.492 -5.498 -2.579 1.00 0.00 C ATOM 890 O GLU A 57 59.865 -6.474 -3.199 1.00 0.00 O ATOM 891 CB GLU A 57 57.002 -5.547 -2.927 1.00 0.00 C ATOM 892 CG GLU A 57 57.186 -6.828 -3.743 1.00 0.00 C ATOM 893 CD GLU A 57 57.276 -8.026 -2.797 1.00 0.00 C ATOM 894 OE1 GLU A 57 57.469 -7.807 -1.612 1.00 0.00 O ATOM 895 OE2 GLU A 57 57.150 -9.142 -3.273 1.00 0.00 O ATOM 0 H GLU A 57 58.441 -5.116 -5.112 1.00 0.00 H new ATOM 0 HA GLU A 57 58.216 -3.818 -2.379 1.00 0.00 H new ATOM 0 HB2 GLU A 57 56.795 -5.793 -1.886 1.00 0.00 H new ATOM 0 HB3 GLU A 57 56.144 -4.986 -3.299 1.00 0.00 H new ATOM 0 HG2 GLU A 57 56.351 -6.957 -4.431 1.00 0.00 H new ATOM 0 HG3 GLU A 57 58.090 -6.760 -4.348 1.00 0.00 H new ATOM 902 N VAL A 58 60.121 -5.090 -1.511 1.00 0.00 N ATOM 903 CA VAL A 58 61.328 -5.822 -1.027 1.00 0.00 C ATOM 904 C VAL A 58 61.451 -5.697 0.497 1.00 0.00 C ATOM 905 O VAL A 58 60.633 -5.075 1.145 1.00 0.00 O ATOM 906 CB VAL A 58 62.498 -5.128 -1.723 1.00 0.00 C ATOM 907 CG1 VAL A 58 63.773 -5.948 -1.524 1.00 0.00 C ATOM 908 CG2 VAL A 58 62.201 -5.010 -3.220 1.00 0.00 C ATOM 0 H VAL A 58 59.852 -4.281 -0.951 1.00 0.00 H new ATOM 0 HA VAL A 58 61.290 -6.888 -1.249 1.00 0.00 H new ATOM 0 HB VAL A 58 62.635 -4.134 -1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 58 64.606 -5.451 -2.021 1.00 0.00 H new ATOM 0 HG12 VAL A 58 63.986 -6.036 -0.459 1.00 0.00 H new ATOM 0 HG13 VAL A 58 63.637 -6.942 -1.950 1.00 0.00 H new ATOM 0 HG21 VAL A 58 63.035 -4.515 -3.718 1.00 0.00 H new ATOM 0 HG22 VAL A 58 62.064 -6.005 -3.643 1.00 0.00 H new ATOM 0 HG23 VAL A 58 61.292 -4.426 -3.366 1.00 0.00 H new ATOM 918 N THR A 59 62.465 -6.286 1.076 1.00 0.00 N ATOM 919 CA THR A 59 62.634 -6.199 2.557 1.00 0.00 C ATOM 920 C THR A 59 64.072 -5.799 2.908 1.00 0.00 C ATOM 921 O THR A 59 64.979 -5.945 2.113 1.00 0.00 O ATOM 922 CB THR A 59 62.328 -7.605 3.072 1.00 0.00 C ATOM 923 OG1 THR A 59 63.069 -8.557 2.317 1.00 0.00 O ATOM 924 CG2 THR A 59 60.829 -7.884 2.934 1.00 0.00 C ATOM 0 H THR A 59 63.182 -6.823 0.588 1.00 0.00 H new ATOM 0 HA THR A 59 61.981 -5.449 3.003 1.00 0.00 H new ATOM 0 HB THR A 59 62.611 -7.680 4.122 1.00 0.00 H new ATOM 0 HG1 THR A 59 62.658 -9.441 2.412 1.00 0.00 H new ATOM 0 HG21 THR A 59 60.610 -8.887 3.301 1.00 0.00 H new ATOM 0 HG22 THR A 59 60.268 -7.154 3.517 1.00 0.00 H new ATOM 0 HG23 THR A 59 60.540 -7.811 1.886 1.00 0.00 H new ATOM 932 N ASP A 60 64.284 -5.294 4.094 1.00 0.00 N ATOM 933 CA ASP A 60 65.656 -4.882 4.500 1.00 0.00 C ATOM 934 C ASP A 60 66.523 -6.113 4.781 1.00 0.00 C ATOM 935 O ASP A 60 67.681 -6.000 5.133 1.00 0.00 O ATOM 936 CB ASP A 60 65.463 -4.063 5.778 1.00 0.00 C ATOM 937 CG ASP A 60 64.739 -4.912 6.823 1.00 0.00 C ATOM 938 OD1 ASP A 60 65.398 -5.703 7.477 1.00 0.00 O ATOM 939 OD2 ASP A 60 63.535 -4.757 6.952 1.00 0.00 O ATOM 0 H ASP A 60 63.562 -5.149 4.800 1.00 0.00 H new ATOM 0 HA ASP A 60 66.160 -4.312 3.720 1.00 0.00 H new ATOM 0 HB2 ASP A 60 66.429 -3.738 6.164 1.00 0.00 H new ATOM 0 HB3 ASP A 60 64.887 -3.163 5.562 1.00 0.00 H new ATOM 944 N ASP A 61 65.974 -7.288 4.632 1.00 0.00 N ATOM 945 CA ASP A 61 66.770 -8.521 4.897 1.00 0.00 C ATOM 946 C ASP A 61 66.955 -9.328 3.608 1.00 0.00 C ATOM 947 O ASP A 61 67.595 -10.360 3.598 1.00 0.00 O ATOM 948 CB ASP A 61 65.946 -9.314 5.911 1.00 0.00 C ATOM 949 CG ASP A 61 66.760 -10.511 6.406 1.00 0.00 C ATOM 950 OD1 ASP A 61 67.953 -10.351 6.602 1.00 0.00 O ATOM 951 OD2 ASP A 61 66.176 -11.568 6.578 1.00 0.00 O ATOM 0 H ASP A 61 65.010 -7.448 4.339 1.00 0.00 H new ATOM 0 HA ASP A 61 67.768 -8.292 5.270 1.00 0.00 H new ATOM 0 HB2 ASP A 61 65.671 -8.676 6.751 1.00 0.00 H new ATOM 0 HB3 ASP A 61 65.018 -9.656 5.453 1.00 0.00 H new ATOM 956 N CYS A 62 66.399 -8.866 2.521 1.00 0.00 N ATOM 957 CA CYS A 62 66.545 -9.610 1.237 1.00 0.00 C ATOM 958 C CYS A 62 67.488 -8.857 0.294 1.00 0.00 C ATOM 959 O CYS A 62 68.249 -9.453 -0.441 1.00 0.00 O ATOM 960 CB CYS A 62 65.135 -9.671 0.649 1.00 0.00 C ATOM 961 SG CYS A 62 65.149 -10.688 -0.849 1.00 0.00 S ATOM 0 H CYS A 62 65.851 -8.007 2.466 1.00 0.00 H new ATOM 0 HA CYS A 62 66.968 -10.604 1.383 1.00 0.00 H new ATOM 0 HB2 CYS A 62 64.443 -10.090 1.379 1.00 0.00 H new ATOM 0 HB3 CYS A 62 64.783 -8.666 0.416 1.00 0.00 H new ATOM 0 HG CYS A 62 63.950 -10.742 -1.348 1.00 0.00 H new ATOM 967 N PHE A 63 67.440 -7.552 0.314 1.00 0.00 N ATOM 968 CA PHE A 63 68.329 -6.748 -0.577 1.00 0.00 C ATOM 969 C PHE A 63 69.723 -7.378 -0.651 1.00 0.00 C ATOM 970 O PHE A 63 70.536 -7.195 0.233 1.00 0.00 O ATOM 971 CB PHE A 63 68.397 -5.369 0.082 1.00 0.00 C ATOM 972 CG PHE A 63 67.127 -4.610 -0.213 1.00 0.00 C ATOM 973 CD1 PHE A 63 66.690 -4.466 -1.536 1.00 0.00 C ATOM 974 CD2 PHE A 63 66.385 -4.052 0.834 1.00 0.00 C ATOM 975 CE1 PHE A 63 65.511 -3.763 -1.811 1.00 0.00 C ATOM 976 CE2 PHE A 63 65.206 -3.349 0.560 1.00 0.00 C ATOM 977 CZ PHE A 63 64.769 -3.204 -0.763 1.00 0.00 C ATOM 0 H PHE A 63 66.821 -7.005 0.912 1.00 0.00 H new ATOM 0 HA PHE A 63 67.954 -6.698 -1.599 1.00 0.00 H new ATOM 0 HB2 PHE A 63 68.529 -5.474 1.159 1.00 0.00 H new ATOM 0 HB3 PHE A 63 69.259 -4.817 -0.292 1.00 0.00 H new ATOM 0 HD1 PHE A 63 67.263 -4.897 -2.344 1.00 0.00 H new ATOM 0 HD2 PHE A 63 66.722 -4.164 1.854 1.00 0.00 H new ATOM 0 HE1 PHE A 63 65.174 -3.652 -2.831 1.00 0.00 H new ATOM 0 HE2 PHE A 63 64.633 -2.919 1.368 1.00 0.00 H new ATOM 0 HZ PHE A 63 63.860 -2.661 -0.975 1.00 0.00 H new ATOM 987 N PRO A 64 69.947 -8.108 -1.711 1.00 0.00 N ATOM 988 CA PRO A 64 71.250 -8.782 -1.908 1.00 0.00 C ATOM 989 C PRO A 64 72.305 -7.781 -2.391 1.00 0.00 C ATOM 990 O PRO A 64 73.472 -7.892 -2.070 1.00 0.00 O ATOM 991 CB PRO A 64 70.954 -9.821 -2.985 1.00 0.00 C ATOM 992 CG PRO A 64 69.774 -9.289 -3.739 1.00 0.00 C ATOM 993 CD PRO A 64 69.014 -8.370 -2.812 1.00 0.00 C ATOM 0 HA PRO A 64 71.647 -9.222 -0.993 1.00 0.00 H new ATOM 0 HB2 PRO A 64 71.811 -9.959 -3.644 1.00 0.00 H new ATOM 0 HB3 PRO A 64 70.732 -10.792 -2.543 1.00 0.00 H new ATOM 0 HG2 PRO A 64 70.100 -8.751 -4.629 1.00 0.00 H new ATOM 0 HG3 PRO A 64 69.136 -10.106 -4.076 1.00 0.00 H new ATOM 0 HD2 PRO A 64 68.725 -7.448 -3.316 1.00 0.00 H new ATOM 0 HD3 PRO A 64 68.097 -8.838 -2.453 1.00 0.00 H new ATOM 1001 N GLY A 65 71.904 -6.805 -3.161 1.00 0.00 N ATOM 1002 CA GLY A 65 72.886 -5.802 -3.662 1.00 0.00 C ATOM 1003 C GLY A 65 72.215 -4.894 -4.694 1.00 0.00 C ATOM 1004 O GLY A 65 72.527 -4.935 -5.868 1.00 0.00 O ATOM 0 H GLY A 65 70.941 -6.660 -3.464 1.00 0.00 H new ATOM 0 HA2 GLY A 65 73.267 -5.206 -2.833 1.00 0.00 H new ATOM 0 HA3 GLY A 65 73.741 -6.308 -4.110 1.00 0.00 H new ATOM 1008 N LEU A 66 71.295 -4.072 -4.266 1.00 0.00 N ATOM 1009 CA LEU A 66 70.607 -3.156 -5.223 1.00 0.00 C ATOM 1010 C LEU A 66 71.638 -2.412 -6.070 1.00 0.00 C ATOM 1011 O LEU A 66 72.804 -2.364 -5.734 1.00 0.00 O ATOM 1012 CB LEU A 66 69.833 -2.173 -4.342 1.00 0.00 C ATOM 1013 CG LEU A 66 68.997 -2.948 -3.325 1.00 0.00 C ATOM 1014 CD1 LEU A 66 69.502 -2.645 -1.914 1.00 0.00 C ATOM 1015 CD2 LEU A 66 67.531 -2.526 -3.445 1.00 0.00 C ATOM 0 H LEU A 66 70.990 -3.995 -3.296 1.00 0.00 H new ATOM 0 HA LEU A 66 69.953 -3.692 -5.911 1.00 0.00 H new ATOM 0 HB2 LEU A 66 70.525 -1.507 -3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 66 69.187 -1.547 -4.958 1.00 0.00 H new ATOM 0 HG LEU A 66 69.085 -4.017 -3.520 1.00 0.00 H new ATOM 0 HD11 LEU A 66 68.906 -3.198 -1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 66 70.547 -2.945 -1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 66 69.414 -1.576 -1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 66 66.933 -3.078 -2.720 1.00 0.00 H new ATOM 0 HD22 LEU A 66 67.443 -1.457 -3.249 1.00 0.00 H new ATOM 0 HD23 LEU A 66 67.172 -2.742 -4.451 1.00 0.00 H new ATOM 1027 N PRO A 67 71.164 -1.850 -7.145 1.00 0.00 N ATOM 1028 CA PRO A 67 72.049 -1.089 -8.058 1.00 0.00 C ATOM 1029 C PRO A 67 72.510 0.205 -7.388 1.00 0.00 C ATOM 1030 O PRO A 67 72.140 0.502 -6.269 1.00 0.00 O ATOM 1031 CB PRO A 67 71.157 -0.803 -9.263 1.00 0.00 C ATOM 1032 CG PRO A 67 69.762 -0.863 -8.729 1.00 0.00 C ATOM 1033 CD PRO A 67 69.773 -1.865 -7.608 1.00 0.00 C ATOM 0 HA PRO A 67 72.957 -1.626 -8.331 1.00 0.00 H new ATOM 0 HB2 PRO A 67 71.374 0.175 -9.693 1.00 0.00 H new ATOM 0 HB3 PRO A 67 71.310 -1.539 -10.052 1.00 0.00 H new ATOM 0 HG2 PRO A 67 69.442 0.115 -8.371 1.00 0.00 H new ATOM 0 HG3 PRO A 67 69.061 -1.162 -9.509 1.00 0.00 H new ATOM 0 HD2 PRO A 67 69.083 -1.584 -6.813 1.00 0.00 H new ATOM 0 HD3 PRO A 67 69.476 -2.855 -7.953 1.00 0.00 H new ATOM 1041 N ASN A 68 73.320 0.976 -8.057 1.00 0.00 N ATOM 1042 CA ASN A 68 73.806 2.246 -7.450 1.00 0.00 C ATOM 1043 C ASN A 68 72.626 3.140 -7.072 1.00 0.00 C ATOM 1044 O ASN A 68 71.581 3.104 -7.691 1.00 0.00 O ATOM 1045 CB ASN A 68 74.656 2.907 -8.536 1.00 0.00 C ATOM 1046 CG ASN A 68 76.009 3.309 -7.948 1.00 0.00 C ATOM 1047 OD1 ASN A 68 76.462 2.726 -6.984 1.00 0.00 O ATOM 1048 ND2 ASN A 68 76.679 4.287 -8.494 1.00 0.00 N ATOM 0 H ASN A 68 73.666 0.782 -8.997 1.00 0.00 H new ATOM 0 HA ASN A 68 74.376 2.073 -6.537 1.00 0.00 H new ATOM 0 HB2 ASN A 68 74.799 2.220 -9.370 1.00 0.00 H new ATOM 0 HB3 ASN A 68 74.144 3.784 -8.931 1.00 0.00 H new ATOM 0 HD21 ASN A 68 77.584 4.562 -8.111 1.00 0.00 H new ATOM 0 HD22 ASN A 68 76.298 4.776 -9.304 1.00 0.00 H new ATOM 1055 N ASP A 69 72.787 3.939 -6.056 1.00 0.00 N ATOM 1056 CA ASP A 69 71.679 4.836 -5.628 1.00 0.00 C ATOM 1057 C ASP A 69 70.378 4.046 -5.507 1.00 0.00 C ATOM 1058 O ASP A 69 69.307 4.540 -5.800 1.00 0.00 O ATOM 1059 CB ASP A 69 71.572 5.893 -6.727 1.00 0.00 C ATOM 1060 CG ASP A 69 72.849 6.735 -6.751 1.00 0.00 C ATOM 1061 OD1 ASP A 69 73.889 6.209 -6.392 1.00 0.00 O ATOM 1062 OD2 ASP A 69 72.764 7.892 -7.129 1.00 0.00 O ATOM 0 H ASP A 69 73.640 4.010 -5.502 1.00 0.00 H new ATOM 0 HA ASP A 69 71.866 5.287 -4.653 1.00 0.00 H new ATOM 0 HB2 ASP A 69 71.422 5.413 -7.694 1.00 0.00 H new ATOM 0 HB3 ASP A 69 70.706 6.531 -6.550 1.00 0.00 H new ATOM 1067 N ALA A 70 70.466 2.823 -5.070 1.00 0.00 N ATOM 1068 CA ALA A 70 69.233 1.997 -4.918 1.00 0.00 C ATOM 1069 C ALA A 70 68.180 2.780 -4.129 1.00 0.00 C ATOM 1070 O ALA A 70 68.208 2.829 -2.915 1.00 0.00 O ATOM 1071 CB ALA A 70 69.674 0.754 -4.143 1.00 0.00 C ATOM 0 H ALA A 70 71.336 2.358 -4.811 1.00 0.00 H new ATOM 0 HA ALA A 70 68.788 1.734 -5.877 1.00 0.00 H new ATOM 0 HB1 ALA A 70 68.818 0.096 -3.992 1.00 0.00 H new ATOM 0 HB2 ALA A 70 70.442 0.226 -4.709 1.00 0.00 H new ATOM 0 HB3 ALA A 70 70.077 1.053 -3.175 1.00 0.00 H new ATOM 1077 N GLU A 71 67.254 3.401 -4.809 1.00 0.00 N ATOM 1078 CA GLU A 71 66.206 4.189 -4.095 1.00 0.00 C ATOM 1079 C GLU A 71 65.215 3.255 -3.399 1.00 0.00 C ATOM 1080 O GLU A 71 64.279 2.766 -3.999 1.00 0.00 O ATOM 1081 CB GLU A 71 65.504 4.996 -5.187 1.00 0.00 C ATOM 1082 CG GLU A 71 66.496 5.977 -5.815 1.00 0.00 C ATOM 1083 CD GLU A 71 66.243 7.382 -5.265 1.00 0.00 C ATOM 1084 OE1 GLU A 71 65.199 7.583 -4.665 1.00 0.00 O ATOM 1085 OE2 GLU A 71 67.096 8.233 -5.452 1.00 0.00 O ATOM 0 H GLU A 71 67.177 3.397 -5.826 1.00 0.00 H new ATOM 0 HA GLU A 71 66.631 4.829 -3.322 1.00 0.00 H new ATOM 0 HB2 GLU A 71 65.106 4.327 -5.950 1.00 0.00 H new ATOM 0 HB3 GLU A 71 64.657 5.538 -4.766 1.00 0.00 H new ATOM 0 HG2 GLU A 71 67.518 5.668 -5.595 1.00 0.00 H new ATOM 0 HG3 GLU A 71 66.388 5.975 -6.900 1.00 0.00 H new ATOM 1092 N LEU A 72 65.409 3.011 -2.132 1.00 0.00 N ATOM 1093 CA LEU A 72 64.473 2.116 -1.393 1.00 0.00 C ATOM 1094 C LEU A 72 63.425 2.958 -0.662 1.00 0.00 C ATOM 1095 O LEU A 72 63.580 4.152 -0.505 1.00 0.00 O ATOM 1096 CB LEU A 72 65.355 1.361 -0.396 1.00 0.00 C ATOM 1097 CG LEU A 72 65.612 -0.059 -0.907 1.00 0.00 C ATOM 1098 CD1 LEU A 72 66.055 -0.012 -2.373 1.00 0.00 C ATOM 1099 CD2 LEU A 72 66.714 -0.710 -0.067 1.00 0.00 C ATOM 0 H LEU A 72 66.175 3.392 -1.576 1.00 0.00 H new ATOM 0 HA LEU A 72 63.934 1.434 -2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 72 66.301 1.886 -0.262 1.00 0.00 H new ATOM 0 HB3 LEU A 72 64.869 1.325 0.579 1.00 0.00 H new ATOM 0 HG LEU A 72 64.694 -0.641 -0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 72 66.236 -1.025 -2.731 1.00 0.00 H new ATOM 0 HD12 LEU A 72 65.273 0.451 -2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 72 66.971 0.572 -2.458 1.00 0.00 H new ATOM 0 HD21 LEU A 72 66.898 -1.721 -0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.629 -0.123 -0.149 1.00 0.00 H new ATOM 0 HD23 LEU A 72 66.401 -0.750 0.976 1.00 0.00 H new ATOM 1111 N LEU A 73 62.358 2.356 -0.217 1.00 0.00 N ATOM 1112 CA LEU A 73 61.313 3.142 0.498 1.00 0.00 C ATOM 1113 C LEU A 73 60.854 2.406 1.759 1.00 0.00 C ATOM 1114 O LEU A 73 60.330 1.311 1.695 1.00 0.00 O ATOM 1115 CB LEU A 73 60.158 3.271 -0.494 1.00 0.00 C ATOM 1116 CG LEU A 73 59.023 4.066 0.150 1.00 0.00 C ATOM 1117 CD1 LEU A 73 59.026 5.497 -0.393 1.00 0.00 C ATOM 1118 CD2 LEU A 73 57.685 3.401 -0.178 1.00 0.00 C ATOM 0 H LEU A 73 62.164 1.360 -0.316 1.00 0.00 H new ATOM 0 HA LEU A 73 61.686 4.114 0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 73 60.497 3.770 -1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 73 59.804 2.283 -0.787 1.00 0.00 H new ATOM 0 HG LEU A 73 59.165 4.088 1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 73 58.216 6.063 0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 73 59.979 5.973 -0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 73 58.886 5.476 -1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 73 56.875 3.968 0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 73 57.545 3.379 -1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 73 57.680 2.382 0.210 1.00 0.00 H new ATOM 1130 N LEU A 74 61.042 3.002 2.904 1.00 0.00 N ATOM 1131 CA LEU A 74 60.611 2.343 4.167 1.00 0.00 C ATOM 1132 C LEU A 74 59.085 2.303 4.236 1.00 0.00 C ATOM 1133 O LEU A 74 58.419 3.308 4.080 1.00 0.00 O ATOM 1134 CB LEU A 74 61.175 3.220 5.286 1.00 0.00 C ATOM 1135 CG LEU A 74 61.156 2.441 6.602 1.00 0.00 C ATOM 1136 CD1 LEU A 74 62.203 1.327 6.550 1.00 0.00 C ATOM 1137 CD2 LEU A 74 61.478 3.388 7.760 1.00 0.00 C ATOM 0 H LEU A 74 61.476 3.918 3.019 1.00 0.00 H new ATOM 0 HA LEU A 74 60.965 1.315 4.242 1.00 0.00 H new ATOM 0 HB2 LEU A 74 62.194 3.524 5.046 1.00 0.00 H new ATOM 0 HB3 LEU A 74 60.584 4.131 5.382 1.00 0.00 H new ATOM 0 HG LEU A 74 60.168 2.005 6.752 1.00 0.00 H new ATOM 0 HD11 LEU A 74 62.190 0.771 7.488 1.00 0.00 H new ATOM 0 HD12 LEU A 74 61.975 0.652 5.725 1.00 0.00 H new ATOM 0 HD13 LEU A 74 63.191 1.763 6.400 1.00 0.00 H new ATOM 0 HD21 LEU A 74 61.465 2.833 8.698 1.00 0.00 H new ATOM 0 HD22 LEU A 74 62.466 3.823 7.610 1.00 0.00 H new ATOM 0 HD23 LEU A 74 60.733 4.183 7.798 1.00 0.00 H new ATOM 1149 N LEU A 75 58.524 1.150 4.462 1.00 0.00 N ATOM 1150 CA LEU A 75 57.042 1.045 4.534 1.00 0.00 C ATOM 1151 C LEU A 75 56.649 0.078 5.654 1.00 0.00 C ATOM 1152 O LEU A 75 57.432 -0.752 6.069 1.00 0.00 O ATOM 1153 CB LEU A 75 56.628 0.505 3.159 1.00 0.00 C ATOM 1154 CG LEU A 75 55.277 -0.209 3.252 1.00 0.00 C ATOM 1155 CD1 LEU A 75 54.610 -0.207 1.876 1.00 0.00 C ATOM 1156 CD2 LEU A 75 55.494 -1.655 3.706 1.00 0.00 C ATOM 0 H LEU A 75 59.029 0.274 4.600 1.00 0.00 H new ATOM 0 HA LEU A 75 56.554 1.994 4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 75 56.565 1.324 2.443 1.00 0.00 H new ATOM 0 HB3 LEU A 75 57.386 -0.185 2.788 1.00 0.00 H new ATOM 0 HG LEU A 75 54.641 0.307 3.971 1.00 0.00 H new ATOM 0 HD11 LEU A 75 53.647 -0.715 1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 75 54.458 0.821 1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 75 55.249 -0.726 1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 75 54.532 -2.164 3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 75 56.129 -2.171 2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 75 55.976 -1.661 4.684 1.00 0.00 H new ATOM 1168 N THR A 76 55.446 0.179 6.148 1.00 0.00 N ATOM 1169 CA THR A 76 55.020 -0.740 7.240 1.00 0.00 C ATOM 1170 C THR A 76 53.557 -1.150 7.050 1.00 0.00 C ATOM 1171 O THR A 76 52.873 -0.661 6.174 1.00 0.00 O ATOM 1172 CB THR A 76 55.191 0.062 8.531 1.00 0.00 C ATOM 1173 OG1 THR A 76 54.531 1.313 8.402 1.00 0.00 O ATOM 1174 CG2 THR A 76 56.680 0.290 8.801 1.00 0.00 C ATOM 0 H THR A 76 54.744 0.854 5.845 1.00 0.00 H new ATOM 0 HA THR A 76 55.606 -1.659 7.254 1.00 0.00 H new ATOM 0 HB THR A 76 54.756 -0.492 9.363 1.00 0.00 H new ATOM 0 HG1 THR A 76 54.639 1.827 9.230 1.00 0.00 H new ATOM 0 HG21 THR A 76 56.800 0.862 9.721 1.00 0.00 H new ATOM 0 HG22 THR A 76 57.183 -0.672 8.903 1.00 0.00 H new ATOM 0 HG23 THR A 76 57.120 0.843 7.971 1.00 0.00 H new ATOM 1182 N ALA A 77 53.074 -2.047 7.867 1.00 0.00 N ATOM 1183 CA ALA A 77 51.656 -2.491 7.733 1.00 0.00 C ATOM 1184 C ALA A 77 50.727 -1.277 7.684 1.00 0.00 C ATOM 1185 O ALA A 77 49.697 -1.297 7.039 1.00 0.00 O ATOM 1186 CB ALA A 77 51.382 -3.326 8.984 1.00 0.00 C ATOM 0 H ALA A 77 53.599 -2.491 8.620 1.00 0.00 H new ATOM 0 HA ALA A 77 51.485 -3.060 6.819 1.00 0.00 H new ATOM 0 HB1 ALA A 77 50.355 -3.691 8.960 1.00 0.00 H new ATOM 0 HB2 ALA A 77 52.067 -4.173 9.013 1.00 0.00 H new ATOM 0 HB3 ALA A 77 51.528 -2.710 9.872 1.00 0.00 H new ATOM 1192 N GLY A 78 51.083 -0.219 8.357 1.00 0.00 N ATOM 1193 CA GLY A 78 50.223 0.995 8.343 1.00 0.00 C ATOM 1194 C GLY A 78 50.654 1.902 7.193 1.00 0.00 C ATOM 1195 O GLY A 78 50.425 3.095 7.210 1.00 0.00 O ATOM 0 H GLY A 78 51.933 -0.143 8.916 1.00 0.00 H new ATOM 0 HA2 GLY A 78 49.177 0.713 8.227 1.00 0.00 H new ATOM 0 HA3 GLY A 78 50.307 1.526 9.291 1.00 0.00 H new ATOM 1199 N GLU A 79 51.281 1.346 6.192 1.00 0.00 N ATOM 1200 CA GLU A 79 51.730 2.182 5.043 1.00 0.00 C ATOM 1201 C GLU A 79 51.865 1.330 3.777 1.00 0.00 C ATOM 1202 O GLU A 79 52.178 0.158 3.834 1.00 0.00 O ATOM 1203 CB GLU A 79 53.092 2.732 5.466 1.00 0.00 C ATOM 1204 CG GLU A 79 52.927 4.172 5.953 1.00 0.00 C ATOM 1205 CD GLU A 79 53.667 4.352 7.280 1.00 0.00 C ATOM 1206 OE1 GLU A 79 54.882 4.457 7.248 1.00 0.00 O ATOM 1207 OE2 GLU A 79 53.007 4.380 8.305 1.00 0.00 O ATOM 0 H GLU A 79 51.501 0.353 6.120 1.00 0.00 H new ATOM 0 HA GLU A 79 51.020 2.976 4.811 1.00 0.00 H new ATOM 0 HB2 GLU A 79 53.516 2.115 6.258 1.00 0.00 H new ATOM 0 HB3 GLU A 79 53.787 2.697 4.627 1.00 0.00 H new ATOM 0 HG2 GLU A 79 53.319 4.866 5.209 1.00 0.00 H new ATOM 0 HG3 GLU A 79 51.870 4.405 6.080 1.00 0.00 H new ATOM 1214 N THR A 80 51.635 1.918 2.637 1.00 0.00 N ATOM 1215 CA THR A 80 51.749 1.157 1.361 1.00 0.00 C ATOM 1216 C THR A 80 52.310 2.068 0.265 1.00 0.00 C ATOM 1217 O THR A 80 52.237 3.277 0.358 1.00 0.00 O ATOM 1218 CB THR A 80 50.323 0.723 1.017 1.00 0.00 C ATOM 1219 OG1 THR A 80 49.432 1.150 2.040 1.00 0.00 O ATOM 1220 CG2 THR A 80 50.266 -0.800 0.893 1.00 0.00 C ATOM 0 H THR A 80 51.372 2.898 2.533 1.00 0.00 H new ATOM 0 HA THR A 80 52.418 0.301 1.449 1.00 0.00 H new ATOM 0 HB THR A 80 50.028 1.175 0.070 1.00 0.00 H new ATOM 0 HG1 THR A 80 48.519 0.872 1.816 1.00 0.00 H new ATOM 0 HG21 THR A 80 49.249 -1.107 0.648 1.00 0.00 H new ATOM 0 HG22 THR A 80 50.944 -1.126 0.104 1.00 0.00 H new ATOM 0 HG23 THR A 80 50.564 -1.253 1.838 1.00 0.00 H new ATOM 1228 N TRP A 81 52.871 1.504 -0.770 1.00 0.00 N ATOM 1229 CA TRP A 81 53.433 2.354 -1.859 1.00 0.00 C ATOM 1230 C TRP A 81 52.834 1.952 -3.210 1.00 0.00 C ATOM 1231 O TRP A 81 52.931 0.815 -3.629 1.00 0.00 O ATOM 1232 CB TRP A 81 54.938 2.088 -1.834 1.00 0.00 C ATOM 1233 CG TRP A 81 55.586 2.721 -3.027 1.00 0.00 C ATOM 1234 CD1 TRP A 81 56.615 2.183 -3.721 1.00 0.00 C ATOM 1235 CD2 TRP A 81 55.277 3.993 -3.676 1.00 0.00 C ATOM 1236 NE1 TRP A 81 56.956 3.039 -4.753 1.00 0.00 N ATOM 1237 CE2 TRP A 81 56.162 4.167 -4.767 1.00 0.00 C ATOM 1238 CE3 TRP A 81 54.327 5.002 -3.429 1.00 0.00 C ATOM 1239 CZ2 TRP A 81 56.107 5.298 -5.582 1.00 0.00 C ATOM 1240 CZ3 TRP A 81 54.269 6.142 -4.247 1.00 0.00 C ATOM 1241 CH2 TRP A 81 55.157 6.289 -5.322 1.00 0.00 C ATOM 0 H TRP A 81 52.964 0.498 -0.909 1.00 0.00 H new ATOM 0 HA TRP A 81 53.206 3.410 -1.717 1.00 0.00 H new ATOM 0 HB2 TRP A 81 55.372 2.489 -0.918 1.00 0.00 H new ATOM 0 HB3 TRP A 81 55.127 1.014 -1.833 1.00 0.00 H new ATOM 0 HD1 TRP A 81 57.093 1.239 -3.505 1.00 0.00 H new ATOM 0 HE1 TRP A 81 57.704 2.858 -5.422 1.00 0.00 H new ATOM 0 HE3 TRP A 81 53.638 4.899 -2.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 56.794 5.407 -6.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 53.536 6.910 -4.047 1.00 0.00 H new ATOM 0 HH2 TRP A 81 55.107 7.167 -5.948 1.00 0.00 H new ATOM 1252 N HIS A 82 52.216 2.877 -3.895 1.00 0.00 N ATOM 1253 CA HIS A 82 51.612 2.547 -5.219 1.00 0.00 C ATOM 1254 C HIS A 82 52.713 2.247 -6.240 1.00 0.00 C ATOM 1255 O HIS A 82 53.038 1.105 -6.499 1.00 0.00 O ATOM 1256 CB HIS A 82 50.832 3.800 -5.620 1.00 0.00 C ATOM 1257 CG HIS A 82 49.564 3.887 -4.814 1.00 0.00 C ATOM 1258 ND1 HIS A 82 48.776 5.027 -4.799 1.00 0.00 N ATOM 1259 CD2 HIS A 82 48.936 2.987 -3.987 1.00 0.00 C ATOM 1260 CE1 HIS A 82 47.729 4.786 -3.989 1.00 0.00 C ATOM 1261 NE2 HIS A 82 47.778 3.557 -3.468 1.00 0.00 N ATOM 0 H HIS A 82 52.103 3.846 -3.596 1.00 0.00 H new ATOM 0 HA HIS A 82 50.972 1.666 -5.175 1.00 0.00 H new ATOM 0 HB2 HIS A 82 51.442 4.688 -5.454 1.00 0.00 H new ATOM 0 HB3 HIS A 82 50.597 3.769 -6.684 1.00 0.00 H new ATOM 0 HD2 HIS A 82 49.288 1.989 -3.773 1.00 0.00 H new ATOM 0 HE1 HIS A 82 46.944 5.500 -3.785 1.00 0.00 H new ATOM 0 HE2 HIS A 82 47.110 3.129 -2.827 1.00 0.00 H new ATOM 1269 N GLY A 83 53.291 3.263 -6.825 1.00 0.00 N ATOM 1270 CA GLY A 83 54.369 3.028 -7.827 1.00 0.00 C ATOM 1271 C GLY A 83 54.952 4.365 -8.284 1.00 0.00 C ATOM 1272 O GLY A 83 54.454 5.420 -7.942 1.00 0.00 O ATOM 0 H GLY A 83 53.063 4.242 -6.652 1.00 0.00 H new ATOM 0 HA2 GLY A 83 55.153 2.408 -7.392 1.00 0.00 H new ATOM 0 HA3 GLY A 83 53.970 2.483 -8.683 1.00 0.00 H new ATOM 1276 N TYR A 84 56.003 4.330 -9.056 1.00 0.00 N ATOM 1277 CA TYR A 84 56.621 5.600 -9.536 1.00 0.00 C ATOM 1278 C TYR A 84 56.457 5.724 -11.053 1.00 0.00 C ATOM 1279 O TYR A 84 57.415 5.669 -11.798 1.00 0.00 O ATOM 1280 CB TYR A 84 58.099 5.486 -9.164 1.00 0.00 C ATOM 1281 CG TYR A 84 58.833 6.723 -9.628 1.00 0.00 C ATOM 1282 CD1 TYR A 84 58.549 7.963 -9.044 1.00 0.00 C ATOM 1283 CD2 TYR A 84 59.795 6.628 -10.640 1.00 0.00 C ATOM 1284 CE1 TYR A 84 59.229 9.109 -9.474 1.00 0.00 C ATOM 1285 CE2 TYR A 84 60.474 7.773 -11.070 1.00 0.00 C ATOM 1286 CZ TYR A 84 60.190 9.015 -10.487 1.00 0.00 C ATOM 1287 OH TYR A 84 60.860 10.145 -10.911 1.00 0.00 O ATOM 0 H TYR A 84 56.461 3.477 -9.376 1.00 0.00 H new ATOM 0 HA TYR A 84 56.157 6.481 -9.092 1.00 0.00 H new ATOM 0 HB2 TYR A 84 58.205 5.370 -8.085 1.00 0.00 H new ATOM 0 HB3 TYR A 84 58.533 4.598 -9.624 1.00 0.00 H new ATOM 0 HD1 TYR A 84 57.807 8.036 -8.263 1.00 0.00 H new ATOM 0 HD2 TYR A 84 60.013 5.670 -11.089 1.00 0.00 H new ATOM 0 HE1 TYR A 84 59.012 10.066 -9.024 1.00 0.00 H new ATOM 0 HE2 TYR A 84 61.217 7.700 -11.851 1.00 0.00 H new ATOM 0 HH TYR A 84 61.493 9.904 -11.619 1.00 0.00 H new