USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 658 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 88 GLN : amide:sc= 0.537 K(o=-1.2,f=-2.9) USER MOD Set 1.2: A 101 MET CE :methyl 159:sc= -2.02! (180deg=-2.9) USER MOD Set 1.3: A 105 ASN : amide:sc= 0.324 K(o=-1.2,f=-3) USER MOD Set 2.1: A 35 LYS NZ :NH3+ 147:sc= 0.71 (180deg=-0.0329) USER MOD Set 2.2: A 38 HIS : no HD1:sc= 0.753 K(o=1.5,f=-1.1) USER MOD Single : A 30 LYS NZ :NH3+ 178:sc= 0.776 (180deg=0.773) USER MOD Single : A 43 GLN : amide:sc= -0.547 X(o=-0.55,f=-0.92) USER MOD Single : A 46 MET CE :methyl -115:sc= 0 (180deg=-0.137) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.367 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -179:sc= -0.638 (180deg=-0.659) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.623 K(o=0.62,f=0) USER MOD Single : A 59 TYR OH : rot 157:sc= 1.26 USER MOD Single : A 61 MET CE :methyl -174:sc= -1.48 (180deg=-1.74) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0.72 K(o=0.72,f=-0.089) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0.972 K(o=0.97,f=0) USER MOD Single : A 69 GLN : amide:sc= 0.221 X(o=0.22,f=0) USER MOD Single : A 71 GLN : amide:sc= 0.377 X(o=0.38,f=-0.11) USER MOD Single : A 72 HIS : no HD1:sc= 0.592 K(o=0.59,f=-2.8!) USER MOD Single : A 73 MET CE :methyl 175:sc= -0.0258 (180deg=-0.0623) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 180:sc= -0.319 USER MOD Single : A 89 SER OG : rot 180:sc= 0.303 USER MOD Single : A 91 SER OG : rot 27:sc= 0.96 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 27 12.284 6.139 4.811 1.00 0.00 N ATOM 69 CA VAL A 27 13.748 6.188 4.582 1.00 0.00 C ATOM 70 C VAL A 27 14.186 7.414 3.763 1.00 0.00 C ATOM 71 O VAL A 27 13.347 8.165 3.264 1.00 0.00 O ATOM 72 CB VAL A 27 14.240 4.862 3.956 1.00 0.00 C ATOM 73 CG1 VAL A 27 14.058 3.695 4.934 1.00 0.00 C ATOM 74 CG2 VAL A 27 13.529 4.514 2.643 1.00 0.00 C ATOM 0 HA VAL A 27 14.226 6.304 5.555 1.00 0.00 H new ATOM 0 HB VAL A 27 15.297 5.015 3.738 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.411 2.774 4.471 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.631 3.888 5.841 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.003 3.593 5.186 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.920 3.573 2.256 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.459 4.415 2.824 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.702 5.306 1.914 1.00 0.00 H new ATOM 84 N ARG A 28 15.500 7.651 3.631 1.00 0.00 N ATOM 85 CA ARG A 28 16.059 8.800 2.884 1.00 0.00 C ATOM 86 C ARG A 28 16.225 8.483 1.380 1.00 0.00 C ATOM 87 O ARG A 28 16.602 7.358 1.040 1.00 0.00 O ATOM 88 CB ARG A 28 17.411 9.243 3.476 1.00 0.00 C ATOM 89 CG ARG A 28 17.319 9.632 4.961 1.00 0.00 C ATOM 90 CD ARG A 28 18.440 10.588 5.385 1.00 0.00 C ATOM 91 NE ARG A 28 19.774 9.963 5.296 1.00 0.00 N ATOM 92 CZ ARG A 28 20.938 10.591 5.281 1.00 0.00 C ATOM 93 NH1 ARG A 28 21.039 11.887 5.351 1.00 0.00 N ATOM 94 NH2 ARG A 28 22.047 9.911 5.195 1.00 0.00 N ATOM 0 H ARG A 28 16.214 7.049 4.041 1.00 0.00 H new ATOM 0 HA ARG A 28 15.344 9.617 2.983 1.00 0.00 H new ATOM 0 HB2 ARG A 28 18.133 8.435 3.362 1.00 0.00 H new ATOM 0 HB3 ARG A 28 17.790 10.092 2.907 1.00 0.00 H new ATOM 0 HG2 ARG A 28 16.354 10.101 5.152 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.362 8.731 5.573 1.00 0.00 H new ATOM 0 HD2 ARG A 28 18.415 11.476 4.754 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.264 10.919 6.408 1.00 0.00 H new ATOM 0 HE ARG A 28 19.801 8.945 5.241 1.00 0.00 H new ATOM 0 HH11 ARG A 28 20.199 12.461 5.421 1.00 0.00 H new ATOM 0 HH12 ARG A 28 21.958 12.328 5.336 1.00 0.00 H new ATOM 0 HH21 ARG A 28 22.018 8.893 5.139 1.00 0.00 H new ATOM 0 HH22 ARG A 28 22.944 10.397 5.184 1.00 0.00 H new ATOM 108 N PRO A 29 15.986 9.449 0.471 1.00 0.00 N ATOM 109 CA PRO A 29 16.234 9.312 -0.965 1.00 0.00 C ATOM 110 C PRO A 29 17.705 9.551 -1.331 1.00 0.00 C ATOM 111 O PRO A 29 18.543 9.824 -0.468 1.00 0.00 O ATOM 112 CB PRO A 29 15.303 10.349 -1.595 1.00 0.00 C ATOM 113 CG PRO A 29 15.341 11.499 -0.596 1.00 0.00 C ATOM 114 CD PRO A 29 15.438 10.771 0.745 1.00 0.00 C ATOM 0 HA PRO A 29 16.038 8.302 -1.325 1.00 0.00 H new ATOM 0 HB2 PRO A 29 15.652 10.659 -2.580 1.00 0.00 H new ATOM 0 HB3 PRO A 29 14.293 9.959 -1.723 1.00 0.00 H new ATOM 0 HG2 PRO A 29 16.195 12.154 -0.764 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.447 12.119 -0.657 1.00 0.00 H new ATOM 0 HD2 PRO A 29 16.079 11.319 1.436 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.457 10.693 1.214 1.00 0.00 H new ATOM 122 N LYS A 30 18.025 9.461 -2.631 1.00 0.00 N ATOM 123 CA LYS A 30 19.361 9.765 -3.147 1.00 0.00 C ATOM 124 C LYS A 30 19.624 11.277 -3.062 1.00 0.00 C ATOM 125 O LYS A 30 18.698 12.079 -3.173 1.00 0.00 O ATOM 126 CB LYS A 30 19.461 9.142 -4.549 1.00 0.00 C ATOM 127 CG LYS A 30 20.863 9.148 -5.162 1.00 0.00 C ATOM 128 CD LYS A 30 21.206 7.869 -5.938 1.00 0.00 C ATOM 129 CE LYS A 30 21.423 6.668 -5.001 1.00 0.00 C ATOM 130 NZ LYS A 30 21.591 5.406 -5.776 1.00 0.00 N ATOM 0 H LYS A 30 17.362 9.175 -3.351 1.00 0.00 H new ATOM 0 HA LYS A 30 20.161 9.326 -2.551 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.108 8.112 -4.498 1.00 0.00 H new ATOM 0 HB3 LYS A 30 18.787 9.678 -5.217 1.00 0.00 H new ATOM 0 HG2 LYS A 30 20.953 10.003 -5.832 1.00 0.00 H new ATOM 0 HG3 LYS A 30 21.596 9.287 -4.367 1.00 0.00 H new ATOM 0 HD2 LYS A 30 20.401 7.642 -6.638 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.106 8.034 -6.530 1.00 0.00 H new ATOM 0 HE2 LYS A 30 22.305 6.839 -4.384 1.00 0.00 H new ATOM 0 HE3 LYS A 30 20.574 6.573 -4.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.769 4.618 -5.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.726 5.215 -6.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 22.395 5.503 -6.428 1.00 0.00 H new ATOM 144 N LEU A 31 20.879 11.686 -2.884 1.00 0.00 N ATOM 145 CA LEU A 31 21.221 13.083 -2.545 1.00 0.00 C ATOM 146 C LEU A 31 20.823 14.123 -3.615 1.00 0.00 C ATOM 147 O LEU A 31 20.220 15.131 -3.241 1.00 0.00 O ATOM 148 CB LEU A 31 22.692 13.190 -2.085 1.00 0.00 C ATOM 149 CG LEU A 31 23.055 12.349 -0.842 1.00 0.00 C ATOM 150 CD1 LEU A 31 24.532 12.553 -0.504 1.00 0.00 C ATOM 151 CD2 LEU A 31 22.230 12.720 0.393 1.00 0.00 C ATOM 0 H LEU A 31 21.688 11.070 -2.968 1.00 0.00 H new ATOM 0 HA LEU A 31 20.593 13.358 -1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.337 12.887 -2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 31 22.915 14.236 -1.874 1.00 0.00 H new ATOM 0 HG LEU A 31 22.838 11.311 -1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 31 24.790 11.960 0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 31 25.145 12.238 -1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 31 24.715 13.607 -0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 31 22.531 12.094 1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 31 22.399 13.768 0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 31 21.172 12.562 0.184 1.00 0.00 H new ATOM 163 N PRO A 32 21.003 13.887 -4.931 1.00 0.00 N ATOM 164 CA PRO A 32 20.457 14.783 -5.955 1.00 0.00 C ATOM 165 C PRO A 32 18.924 14.859 -5.965 1.00 0.00 C ATOM 166 O PRO A 32 18.382 15.926 -6.238 1.00 0.00 O ATOM 167 CB PRO A 32 21.038 14.301 -7.289 1.00 0.00 C ATOM 168 CG PRO A 32 22.365 13.682 -6.851 1.00 0.00 C ATOM 169 CD PRO A 32 21.971 12.991 -5.548 1.00 0.00 C ATOM 0 HA PRO A 32 20.748 15.812 -5.745 1.00 0.00 H new ATOM 0 HB2 PRO A 32 20.390 13.574 -7.778 1.00 0.00 H new ATOM 0 HB3 PRO A 32 21.183 15.122 -7.992 1.00 0.00 H new ATOM 0 HG2 PRO A 32 22.750 12.977 -7.588 1.00 0.00 H new ATOM 0 HG3 PRO A 32 23.137 14.436 -6.697 1.00 0.00 H new ATOM 0 HD2 PRO A 32 21.537 12.009 -5.736 1.00 0.00 H new ATOM 0 HD3 PRO A 32 22.837 12.839 -4.903 1.00 0.00 H new ATOM 177 N LEU A 33 18.205 13.795 -5.574 1.00 0.00 N ATOM 178 CA LEU A 33 16.742 13.851 -5.396 1.00 0.00 C ATOM 179 C LEU A 33 16.374 14.810 -4.253 1.00 0.00 C ATOM 180 O LEU A 33 15.481 15.636 -4.402 1.00 0.00 O ATOM 181 CB LEU A 33 16.171 12.434 -5.151 1.00 0.00 C ATOM 182 CG LEU A 33 14.672 12.301 -5.499 1.00 0.00 C ATOM 183 CD1 LEU A 33 14.489 12.160 -7.006 1.00 0.00 C ATOM 184 CD2 LEU A 33 14.041 11.071 -4.851 1.00 0.00 C ATOM 0 H LEU A 33 18.613 12.882 -5.374 1.00 0.00 H new ATOM 0 HA LEU A 33 16.293 14.237 -6.311 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.738 11.716 -5.744 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.317 12.169 -4.104 1.00 0.00 H new ATOM 0 HG LEU A 33 14.187 13.202 -5.123 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.428 12.067 -7.237 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.893 13.040 -7.506 1.00 0.00 H new ATOM 0 HD13 LEU A 33 15.015 11.271 -7.355 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.987 11.017 -5.123 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.552 10.174 -5.200 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.133 11.143 -3.767 1.00 0.00 H new ATOM 196 N LEU A 34 17.118 14.768 -3.143 1.00 0.00 N ATOM 197 CA LEU A 34 16.960 15.694 -2.011 1.00 0.00 C ATOM 198 C LEU A 34 17.289 17.148 -2.410 1.00 0.00 C ATOM 199 O LEU A 34 16.589 18.067 -1.990 1.00 0.00 O ATOM 200 CB LEU A 34 17.768 15.123 -0.826 1.00 0.00 C ATOM 201 CG LEU A 34 17.455 15.716 0.566 1.00 0.00 C ATOM 202 CD1 LEU A 34 17.785 14.681 1.643 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.308 16.948 0.858 1.00 0.00 C ATOM 0 H LEU A 34 17.858 14.081 -3.001 1.00 0.00 H new ATOM 0 HA LEU A 34 15.921 15.764 -1.690 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.600 14.047 -0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.828 15.273 -1.031 1.00 0.00 H new ATOM 0 HG LEU A 34 16.400 15.990 0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 34 17.565 15.097 2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 34 17.183 13.786 1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.842 14.422 1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.060 17.337 1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 34 19.363 16.675 0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.111 17.713 0.107 1.00 0.00 H new ATOM 215 N LYS A 35 18.265 17.376 -3.302 1.00 0.00 N ATOM 216 CA LYS A 35 18.525 18.702 -3.914 1.00 0.00 C ATOM 217 C LYS A 35 17.386 19.177 -4.829 1.00 0.00 C ATOM 218 O LYS A 35 16.990 20.335 -4.733 1.00 0.00 O ATOM 219 CB LYS A 35 19.877 18.698 -4.657 1.00 0.00 C ATOM 220 CG LYS A 35 21.080 19.224 -3.853 1.00 0.00 C ATOM 221 CD LYS A 35 21.454 18.452 -2.571 1.00 0.00 C ATOM 222 CE LYS A 35 20.589 18.754 -1.334 1.00 0.00 C ATOM 223 NZ LYS A 35 20.763 20.154 -0.841 1.00 0.00 N ATOM 0 H LYS A 35 18.902 16.648 -3.625 1.00 0.00 H new ATOM 0 HA LYS A 35 18.574 19.423 -3.098 1.00 0.00 H new ATOM 0 HB2 LYS A 35 20.093 17.678 -4.975 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.776 19.299 -5.561 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.950 19.232 -4.510 1.00 0.00 H new ATOM 0 HG3 LYS A 35 20.878 20.259 -3.579 1.00 0.00 H new ATOM 0 HD2 LYS A 35 21.394 17.384 -2.781 1.00 0.00 H new ATOM 0 HD3 LYS A 35 22.493 18.671 -2.327 1.00 0.00 H new ATOM 0 HE2 LYS A 35 19.540 18.586 -1.579 1.00 0.00 H new ATOM 0 HE3 LYS A 35 20.846 18.057 -0.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 19.866 20.495 -0.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 21.499 20.174 -0.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 21.045 20.768 -1.632 1.00 0.00 H new ATOM 237 N ILE A 36 16.797 18.305 -5.648 1.00 0.00 N ATOM 238 CA ILE A 36 15.605 18.612 -6.465 1.00 0.00 C ATOM 239 C ILE A 36 14.395 18.959 -5.576 1.00 0.00 C ATOM 240 O ILE A 36 13.669 19.911 -5.857 1.00 0.00 O ATOM 241 CB ILE A 36 15.334 17.430 -7.425 1.00 0.00 C ATOM 242 CG1 ILE A 36 16.487 17.323 -8.451 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.993 17.573 -8.166 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.544 15.968 -9.164 1.00 0.00 C ATOM 0 H ILE A 36 17.133 17.350 -5.770 1.00 0.00 H new ATOM 0 HA ILE A 36 15.788 19.500 -7.070 1.00 0.00 H new ATOM 0 HB ILE A 36 15.278 16.524 -6.822 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.376 18.112 -9.195 1.00 0.00 H new ATOM 0 HG13 ILE A 36 17.434 17.497 -7.941 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.850 16.718 -8.827 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.179 17.612 -7.442 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.999 18.490 -8.755 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.375 15.962 -9.869 1.00 0.00 H new ATOM 0 HD12 ILE A 36 16.686 15.176 -8.429 1.00 0.00 H new ATOM 0 HD13 ILE A 36 15.611 15.801 -9.702 1.00 0.00 H new ATOM 256 N LEU A 37 14.219 18.261 -4.449 1.00 0.00 N ATOM 257 CA LEU A 37 13.195 18.569 -3.441 1.00 0.00 C ATOM 258 C LEU A 37 13.446 19.931 -2.763 1.00 0.00 C ATOM 259 O LEU A 37 12.518 20.730 -2.635 1.00 0.00 O ATOM 260 CB LEU A 37 13.127 17.400 -2.435 1.00 0.00 C ATOM 261 CG LEU A 37 12.595 16.094 -3.062 1.00 0.00 C ATOM 262 CD1 LEU A 37 12.910 14.871 -2.205 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.086 16.155 -3.239 1.00 0.00 C ATOM 0 H LEU A 37 14.792 17.453 -4.206 1.00 0.00 H new ATOM 0 HA LEU A 37 12.223 18.669 -3.924 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.122 17.221 -2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.486 17.683 -1.600 1.00 0.00 H new ATOM 0 HG LEU A 37 13.095 15.998 -4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.516 13.977 -2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.990 14.775 -2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.450 14.986 -1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 37 10.734 15.224 -3.682 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.611 16.297 -2.268 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.830 16.988 -3.893 1.00 0.00 H new ATOM 275 N HIS A 38 14.697 20.261 -2.417 1.00 0.00 N ATOM 276 CA HIS A 38 15.068 21.603 -1.931 1.00 0.00 C ATOM 277 C HIS A 38 14.799 22.696 -2.981 1.00 0.00 C ATOM 278 O HIS A 38 14.248 23.745 -2.644 1.00 0.00 O ATOM 279 CB HIS A 38 16.540 21.631 -1.482 1.00 0.00 C ATOM 280 CG HIS A 38 16.864 20.928 -0.180 1.00 0.00 C ATOM 281 ND1 HIS A 38 18.105 20.997 0.466 1.00 0.00 N ATOM 282 CD2 HIS A 38 16.018 20.171 0.582 1.00 0.00 C ATOM 283 CE1 HIS A 38 17.968 20.303 1.609 1.00 0.00 C ATOM 284 NE2 HIS A 38 16.732 19.785 1.697 1.00 0.00 N ATOM 0 H HIS A 38 15.481 19.610 -2.465 1.00 0.00 H new ATOM 0 HA HIS A 38 14.435 21.820 -1.071 1.00 0.00 H new ATOM 0 HB2 HIS A 38 17.146 21.184 -2.271 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.850 22.672 -1.394 1.00 0.00 H new ATOM 0 HD2 HIS A 38 14.991 19.924 0.355 1.00 0.00 H new ATOM 0 HE1 HIS A 38 18.742 20.179 2.352 1.00 0.00 H new ATOM 0 HE2 HIS A 38 16.381 19.205 2.459 1.00 0.00 H new ATOM 292 N ALA A 39 15.097 22.442 -4.261 1.00 0.00 N ATOM 293 CA ALA A 39 14.813 23.365 -5.366 1.00 0.00 C ATOM 294 C ALA A 39 13.305 23.596 -5.584 1.00 0.00 C ATOM 295 O ALA A 39 12.901 24.672 -6.029 1.00 0.00 O ATOM 296 CB ALA A 39 15.453 22.810 -6.640 1.00 0.00 C ATOM 0 H ALA A 39 15.548 21.578 -4.562 1.00 0.00 H new ATOM 0 HA ALA A 39 15.236 24.337 -5.111 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.251 23.485 -7.472 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.530 22.722 -6.497 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.034 21.828 -6.859 1.00 0.00 H new ATOM 302 N ALA A 40 12.469 22.616 -5.224 1.00 0.00 N ATOM 303 CA ALA A 40 11.012 22.739 -5.211 1.00 0.00 C ATOM 304 C ALA A 40 10.473 23.582 -4.027 1.00 0.00 C ATOM 305 O ALA A 40 9.264 23.805 -3.929 1.00 0.00 O ATOM 306 CB ALA A 40 10.408 21.330 -5.216 1.00 0.00 C ATOM 0 H ALA A 40 12.796 21.696 -4.928 1.00 0.00 H new ATOM 0 HA ALA A 40 10.709 23.285 -6.104 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.320 21.400 -5.206 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.729 20.800 -6.112 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.744 20.787 -4.333 1.00 0.00 H new ATOM 312 N GLY A 41 11.351 24.038 -3.120 1.00 0.00 N ATOM 313 CA GLY A 41 11.014 24.820 -1.924 1.00 0.00 C ATOM 314 C GLY A 41 10.777 23.987 -0.654 1.00 0.00 C ATOM 315 O GLY A 41 10.363 24.546 0.366 1.00 0.00 O ATOM 0 H GLY A 41 12.353 23.865 -3.204 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.820 25.529 -1.732 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.118 25.405 -2.130 1.00 0.00 H new ATOM 319 N ALA A 42 11.025 22.672 -0.691 1.00 0.00 N ATOM 320 CA ALA A 42 10.849 21.772 0.451 1.00 0.00 C ATOM 321 C ALA A 42 12.076 21.723 1.385 1.00 0.00 C ATOM 322 O ALA A 42 13.174 22.170 1.042 1.00 0.00 O ATOM 323 CB ALA A 42 10.512 20.371 -0.077 1.00 0.00 C ATOM 0 H ALA A 42 11.359 22.198 -1.530 1.00 0.00 H new ATOM 0 HA ALA A 42 10.032 22.160 1.060 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.378 19.688 0.762 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.592 20.414 -0.661 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.326 20.014 -0.708 1.00 0.00 H new ATOM 329 N GLN A 43 11.886 21.116 2.558 1.00 0.00 N ATOM 330 CA GLN A 43 12.939 20.741 3.509 1.00 0.00 C ATOM 331 C GLN A 43 12.653 19.313 4.002 1.00 0.00 C ATOM 332 O GLN A 43 11.494 18.941 4.209 1.00 0.00 O ATOM 333 CB GLN A 43 13.018 21.775 4.650 1.00 0.00 C ATOM 334 CG GLN A 43 14.203 21.579 5.621 1.00 0.00 C ATOM 335 CD GLN A 43 14.024 20.454 6.650 1.00 0.00 C ATOM 336 OE1 GLN A 43 12.936 20.164 7.131 1.00 0.00 O ATOM 337 NE2 GLN A 43 15.084 19.766 7.028 1.00 0.00 N ATOM 0 H GLN A 43 10.955 20.861 2.887 1.00 0.00 H new ATOM 0 HA GLN A 43 13.920 20.744 3.034 1.00 0.00 H new ATOM 0 HB2 GLN A 43 13.085 22.772 4.214 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.090 21.738 5.220 1.00 0.00 H new ATOM 0 HG2 GLN A 43 15.101 21.377 5.037 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.374 22.514 6.154 1.00 0.00 H new ATOM 0 HE21 GLN A 43 16.001 19.989 6.641 1.00 0.00 H new ATOM 0 HE22 GLN A 43 14.987 19.011 7.707 1.00 0.00 H new ATOM 346 N GLY A 44 13.700 18.501 4.167 1.00 0.00 N ATOM 347 CA GLY A 44 13.556 17.099 4.561 1.00 0.00 C ATOM 348 C GLY A 44 14.848 16.288 4.588 1.00 0.00 C ATOM 349 O GLY A 44 15.906 16.732 4.141 1.00 0.00 O ATOM 0 H GLY A 44 14.667 18.796 4.032 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.104 17.063 5.552 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.859 16.617 3.875 1.00 0.00 H new ATOM 353 N GLU A 45 14.709 15.062 5.091 1.00 0.00 N ATOM 354 CA GLU A 45 15.737 14.013 5.118 1.00 0.00 C ATOM 355 C GLU A 45 15.138 12.682 4.640 1.00 0.00 C ATOM 356 O GLU A 45 15.584 12.123 3.643 1.00 0.00 O ATOM 357 CB GLU A 45 16.314 13.892 6.542 1.00 0.00 C ATOM 358 CG GLU A 45 17.329 14.988 6.905 1.00 0.00 C ATOM 359 CD GLU A 45 18.634 14.927 6.081 1.00 0.00 C ATOM 360 OE1 GLU A 45 19.077 13.815 5.700 1.00 0.00 O ATOM 361 OE2 GLU A 45 19.256 15.993 5.851 1.00 0.00 O ATOM 0 H GLU A 45 13.833 14.754 5.513 1.00 0.00 H new ATOM 0 HA GLU A 45 16.551 14.276 4.442 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.493 13.921 7.258 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.794 12.919 6.646 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.864 15.963 6.760 1.00 0.00 H new ATOM 0 HG3 GLU A 45 17.575 14.906 7.964 1.00 0.00 H new ATOM 368 N MET A 46 14.090 12.201 5.315 1.00 0.00 N ATOM 369 CA MET A 46 13.315 11.000 4.969 1.00 0.00 C ATOM 370 C MET A 46 12.055 11.354 4.151 1.00 0.00 C ATOM 371 O MET A 46 11.355 12.310 4.490 1.00 0.00 O ATOM 372 CB MET A 46 12.952 10.235 6.249 1.00 0.00 C ATOM 373 CG MET A 46 14.183 9.703 6.997 1.00 0.00 C ATOM 374 SD MET A 46 13.970 9.547 8.788 1.00 0.00 S ATOM 375 CE MET A 46 14.078 11.309 9.202 1.00 0.00 C ATOM 0 H MET A 46 13.740 12.658 6.157 1.00 0.00 H new ATOM 0 HA MET A 46 13.931 10.359 4.338 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.387 10.891 6.911 1.00 0.00 H new ATOM 0 HB3 MET A 46 12.299 9.400 5.994 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.445 8.727 6.589 1.00 0.00 H new ATOM 0 HG3 MET A 46 15.025 10.367 6.801 1.00 0.00 H new ATOM 0 HE1 MET A 46 14.967 11.487 9.808 1.00 0.00 H new ATOM 0 HE2 MET A 46 14.141 11.895 8.285 1.00 0.00 H new ATOM 0 HE3 MET A 46 13.192 11.606 9.763 1.00 0.00 H new ATOM 385 N PHE A 47 11.750 10.580 3.099 1.00 0.00 N ATOM 386 CA PHE A 47 10.606 10.803 2.196 1.00 0.00 C ATOM 387 C PHE A 47 10.066 9.488 1.588 1.00 0.00 C ATOM 388 O PHE A 47 10.847 8.642 1.148 1.00 0.00 O ATOM 389 CB PHE A 47 11.007 11.705 1.008 1.00 0.00 C ATOM 390 CG PHE A 47 11.498 13.123 1.270 1.00 0.00 C ATOM 391 CD1 PHE A 47 12.846 13.363 1.603 1.00 0.00 C ATOM 392 CD2 PHE A 47 10.643 14.220 1.041 1.00 0.00 C ATOM 393 CE1 PHE A 47 13.341 14.676 1.682 1.00 0.00 C ATOM 394 CE2 PHE A 47 11.133 15.537 1.132 1.00 0.00 C ATOM 395 CZ PHE A 47 12.487 15.765 1.433 1.00 0.00 C ATOM 0 H PHE A 47 12.304 9.762 2.845 1.00 0.00 H new ATOM 0 HA PHE A 47 9.838 11.271 2.812 1.00 0.00 H new ATOM 0 HB2 PHE A 47 11.790 11.186 0.455 1.00 0.00 H new ATOM 0 HB3 PHE A 47 10.143 11.776 0.347 1.00 0.00 H new ATOM 0 HD1 PHE A 47 13.505 12.530 1.799 1.00 0.00 H new ATOM 0 HD2 PHE A 47 9.606 14.049 0.794 1.00 0.00 H new ATOM 0 HE1 PHE A 47 14.377 14.848 1.934 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.468 16.373 0.970 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.870 16.774 1.473 1.00 0.00 H new ATOM 405 N THR A 48 8.740 9.325 1.501 1.00 0.00 N ATOM 406 CA THR A 48 8.083 8.247 0.724 1.00 0.00 C ATOM 407 C THR A 48 7.997 8.631 -0.762 1.00 0.00 C ATOM 408 O THR A 48 8.188 9.796 -1.109 1.00 0.00 O ATOM 409 CB THR A 48 6.659 7.953 1.226 1.00 0.00 C ATOM 410 OG1 THR A 48 5.833 9.071 0.993 1.00 0.00 O ATOM 411 CG2 THR A 48 6.584 7.593 2.705 1.00 0.00 C ATOM 0 H THR A 48 8.078 9.942 1.971 1.00 0.00 H new ATOM 0 HA THR A 48 8.695 7.354 0.856 1.00 0.00 H new ATOM 0 HB THR A 48 6.320 7.080 0.668 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.926 8.880 1.312 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.547 7.400 2.980 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.181 6.701 2.893 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.970 8.420 3.301 1.00 0.00 H new ATOM 419 N VAL A 49 7.628 7.704 -1.662 1.00 0.00 N ATOM 420 CA VAL A 49 7.372 8.044 -3.086 1.00 0.00 C ATOM 421 C VAL A 49 6.304 9.136 -3.218 1.00 0.00 C ATOM 422 O VAL A 49 6.447 10.028 -4.049 1.00 0.00 O ATOM 423 CB VAL A 49 7.044 6.779 -3.927 1.00 0.00 C ATOM 424 CG1 VAL A 49 5.653 6.713 -4.572 1.00 0.00 C ATOM 425 CG2 VAL A 49 8.059 6.615 -5.065 1.00 0.00 C ATOM 0 H VAL A 49 7.499 6.717 -1.438 1.00 0.00 H new ATOM 0 HA VAL A 49 8.292 8.457 -3.500 1.00 0.00 H new ATOM 0 HB VAL A 49 7.084 5.983 -3.183 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.554 5.781 -5.129 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.889 6.754 -3.795 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.526 7.557 -5.251 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.815 5.725 -5.644 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.024 7.491 -5.713 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.061 6.513 -4.647 1.00 0.00 H new ATOM 435 N LYS A 50 5.279 9.121 -2.353 1.00 0.00 N ATOM 436 CA LYS A 50 4.209 10.134 -2.301 1.00 0.00 C ATOM 437 C LYS A 50 4.717 11.503 -1.831 1.00 0.00 C ATOM 438 O LYS A 50 4.418 12.514 -2.466 1.00 0.00 O ATOM 439 CB LYS A 50 3.071 9.600 -1.409 1.00 0.00 C ATOM 440 CG LYS A 50 1.787 10.445 -1.437 1.00 0.00 C ATOM 441 CD LYS A 50 1.109 10.456 -2.816 1.00 0.00 C ATOM 442 CE LYS A 50 -0.254 11.157 -2.725 1.00 0.00 C ATOM 443 NZ LYS A 50 -0.975 11.140 -4.029 1.00 0.00 N ATOM 0 H LYS A 50 5.166 8.388 -1.653 1.00 0.00 H new ATOM 0 HA LYS A 50 3.831 10.301 -3.310 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.829 8.584 -1.721 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.429 9.541 -0.381 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.087 10.058 -0.697 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.025 11.468 -1.146 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.744 10.969 -3.538 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.979 9.435 -3.175 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.864 10.667 -1.966 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.111 12.188 -2.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.890 11.623 -3.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.404 11.629 -4.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.134 10.156 -4.325 1.00 0.00 H new ATOM 457 N GLU A 51 5.535 11.541 -0.779 1.00 0.00 N ATOM 458 CA GLU A 51 6.152 12.783 -0.281 1.00 0.00 C ATOM 459 C GLU A 51 7.149 13.376 -1.290 1.00 0.00 C ATOM 460 O GLU A 51 7.190 14.594 -1.468 1.00 0.00 O ATOM 461 CB GLU A 51 6.859 12.533 1.057 1.00 0.00 C ATOM 462 CG GLU A 51 5.885 12.251 2.206 1.00 0.00 C ATOM 463 CD GLU A 51 6.645 11.975 3.517 1.00 0.00 C ATOM 464 OE1 GLU A 51 7.503 11.059 3.543 1.00 0.00 O ATOM 465 OE2 GLU A 51 6.387 12.672 4.529 1.00 0.00 O ATOM 0 H GLU A 51 5.793 10.712 -0.243 1.00 0.00 H new ATOM 0 HA GLU A 51 5.348 13.505 -0.139 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.540 11.688 0.950 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.467 13.402 1.308 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.218 13.103 2.340 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.260 11.394 1.956 1.00 0.00 H new ATOM 472 N VAL A 52 7.901 12.527 -2.006 1.00 0.00 N ATOM 473 CA VAL A 52 8.736 12.950 -3.144 1.00 0.00 C ATOM 474 C VAL A 52 7.865 13.545 -4.253 1.00 0.00 C ATOM 475 O VAL A 52 8.135 14.645 -4.723 1.00 0.00 O ATOM 476 CB VAL A 52 9.591 11.778 -3.685 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.322 12.106 -4.994 1.00 0.00 C ATOM 478 CG2 VAL A 52 10.672 11.352 -2.683 1.00 0.00 C ATOM 0 H VAL A 52 7.949 11.526 -1.813 1.00 0.00 H new ATOM 0 HA VAL A 52 9.422 13.720 -2.790 1.00 0.00 H new ATOM 0 HB VAL A 52 8.868 10.981 -3.857 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.901 11.240 -5.314 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.593 12.360 -5.764 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.992 12.951 -4.835 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.250 10.527 -3.100 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.334 12.194 -2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.201 11.031 -1.754 1.00 0.00 H new ATOM 488 N MET A 53 6.805 12.848 -4.665 1.00 0.00 N ATOM 489 CA MET A 53 5.953 13.167 -5.804 1.00 0.00 C ATOM 490 C MET A 53 5.201 14.486 -5.674 1.00 0.00 C ATOM 491 O MET A 53 5.115 15.221 -6.656 1.00 0.00 O ATOM 492 CB MET A 53 5.014 11.974 -5.934 1.00 0.00 C ATOM 493 CG MET A 53 3.688 12.219 -6.644 1.00 0.00 C ATOM 494 SD MET A 53 2.708 10.739 -7.056 1.00 0.00 S ATOM 495 CE MET A 53 3.865 9.394 -6.660 1.00 0.00 C ATOM 0 H MET A 53 6.504 12.000 -4.184 1.00 0.00 H new ATOM 0 HA MET A 53 6.555 13.323 -6.699 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.542 11.182 -6.464 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.800 11.599 -4.933 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.079 12.869 -6.016 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.889 12.764 -7.566 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.398 8.435 -6.883 1.00 0.00 H new ATOM 0 HE2 MET A 53 4.770 9.505 -7.258 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.122 9.435 -5.602 1.00 0.00 H new ATOM 505 N HIS A 54 4.708 14.808 -4.477 1.00 0.00 N ATOM 506 CA HIS A 54 4.072 16.104 -4.202 1.00 0.00 C ATOM 507 C HIS A 54 4.971 17.274 -4.645 1.00 0.00 C ATOM 508 O HIS A 54 4.549 18.130 -5.426 1.00 0.00 O ATOM 509 CB HIS A 54 3.741 16.191 -2.704 1.00 0.00 C ATOM 510 CG HIS A 54 3.149 17.521 -2.303 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.821 17.913 -2.497 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.833 18.549 -1.721 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.736 19.169 -2.023 1.00 0.00 C ATOM 514 NE2 HIS A 54 2.929 19.574 -1.551 1.00 0.00 N ATOM 0 H HIS A 54 4.736 14.183 -3.672 1.00 0.00 H new ATOM 0 HA HIS A 54 3.150 16.180 -4.778 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.041 15.396 -2.446 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.649 16.016 -2.127 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.878 18.557 -1.448 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.837 19.768 -2.022 1.00 0.00 H new ATOM 0 HE2 HIS A 54 3.130 20.485 -1.138 1.00 0.00 H new ATOM 522 N TYR A 55 6.228 17.281 -4.191 1.00 0.00 N ATOM 523 CA TYR A 55 7.246 18.250 -4.607 1.00 0.00 C ATOM 524 C TYR A 55 7.824 18.026 -6.018 1.00 0.00 C ATOM 525 O TYR A 55 8.139 19.006 -6.685 1.00 0.00 O ATOM 526 CB TYR A 55 8.323 18.315 -3.523 1.00 0.00 C ATOM 527 CG TYR A 55 7.822 18.900 -2.214 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.403 20.245 -2.160 1.00 0.00 C ATOM 529 CD2 TYR A 55 7.760 18.099 -1.056 1.00 0.00 C ATOM 530 CE1 TYR A 55 6.925 20.788 -0.951 1.00 0.00 C ATOM 531 CE2 TYR A 55 7.284 18.640 0.155 1.00 0.00 C ATOM 532 CZ TYR A 55 6.867 19.989 0.211 1.00 0.00 C ATOM 533 OH TYR A 55 6.407 20.525 1.376 1.00 0.00 O ATOM 0 H TYR A 55 6.572 16.602 -3.512 1.00 0.00 H new ATOM 0 HA TYR A 55 6.758 19.220 -4.705 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.707 17.311 -3.341 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.158 18.915 -3.885 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.448 20.860 -3.047 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.078 17.068 -1.097 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.602 21.818 -0.913 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.238 18.023 1.041 1.00 0.00 H new ATOM 0 HH TYR A 55 6.430 19.844 2.081 1.00 0.00 H new ATOM 543 N LEU A 56 7.952 16.790 -6.518 1.00 0.00 N ATOM 544 CA LEU A 56 8.494 16.520 -7.864 1.00 0.00 C ATOM 545 C LEU A 56 7.548 16.958 -8.986 1.00 0.00 C ATOM 546 O LEU A 56 8.007 17.563 -9.954 1.00 0.00 O ATOM 547 CB LEU A 56 8.894 15.036 -8.031 1.00 0.00 C ATOM 548 CG LEU A 56 10.410 14.754 -7.961 1.00 0.00 C ATOM 549 CD1 LEU A 56 11.148 15.300 -9.185 1.00 0.00 C ATOM 550 CD2 LEU A 56 11.071 15.321 -6.707 1.00 0.00 C ATOM 0 H LEU A 56 7.685 15.949 -6.006 1.00 0.00 H new ATOM 0 HA LEU A 56 9.394 17.129 -7.952 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.396 14.452 -7.257 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.518 14.680 -8.990 1.00 0.00 H new ATOM 0 HG LEU A 56 10.490 13.667 -7.932 1.00 0.00 H new ATOM 0 HD11 LEU A 56 12.212 15.081 -9.096 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.755 14.830 -10.087 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.004 16.379 -9.246 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.136 15.088 -6.720 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.937 16.402 -6.682 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.613 14.878 -5.822 1.00 0.00 H new ATOM 562 N GLY A 57 6.239 16.735 -8.844 1.00 0.00 N ATOM 563 CA GLY A 57 5.242 17.272 -9.773 1.00 0.00 C ATOM 564 C GLY A 57 5.282 18.801 -9.793 1.00 0.00 C ATOM 565 O GLY A 57 5.428 19.404 -10.853 1.00 0.00 O ATOM 0 H GLY A 57 5.842 16.180 -8.086 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.428 16.886 -10.775 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.248 16.934 -9.481 1.00 0.00 H new ATOM 569 N GLN A 58 5.304 19.430 -8.612 1.00 0.00 N ATOM 570 CA GLN A 58 5.486 20.878 -8.449 1.00 0.00 C ATOM 571 C GLN A 58 6.794 21.384 -9.089 1.00 0.00 C ATOM 572 O GLN A 58 6.777 22.415 -9.764 1.00 0.00 O ATOM 573 CB GLN A 58 5.411 21.193 -6.942 1.00 0.00 C ATOM 574 CG GLN A 58 5.752 22.631 -6.522 1.00 0.00 C ATOM 575 CD GLN A 58 4.768 23.672 -7.059 1.00 0.00 C ATOM 576 OE1 GLN A 58 3.837 24.093 -6.386 1.00 0.00 O ATOM 577 NE2 GLN A 58 4.922 24.125 -8.288 1.00 0.00 N ATOM 0 H GLN A 58 5.194 18.938 -7.726 1.00 0.00 H new ATOM 0 HA GLN A 58 4.694 21.409 -8.978 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.402 20.967 -6.597 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.086 20.516 -6.418 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.772 22.688 -5.434 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.755 22.876 -6.872 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.692 23.786 -8.864 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.271 24.815 -8.663 1.00 0.00 H new ATOM 586 N TYR A 59 7.905 20.660 -8.925 1.00 0.00 N ATOM 587 CA TYR A 59 9.211 20.994 -9.493 1.00 0.00 C ATOM 588 C TYR A 59 9.164 20.955 -11.027 1.00 0.00 C ATOM 589 O TYR A 59 9.487 21.936 -11.693 1.00 0.00 O ATOM 590 CB TYR A 59 10.264 20.029 -8.932 1.00 0.00 C ATOM 591 CG TYR A 59 11.630 20.196 -9.555 1.00 0.00 C ATOM 592 CD1 TYR A 59 12.546 21.139 -9.055 1.00 0.00 C ATOM 593 CD2 TYR A 59 11.956 19.425 -10.681 1.00 0.00 C ATOM 594 CE1 TYR A 59 13.782 21.315 -9.707 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.175 19.608 -11.352 1.00 0.00 C ATOM 596 CZ TYR A 59 14.103 20.556 -10.856 1.00 0.00 C ATOM 597 OH TYR A 59 15.306 20.765 -11.452 1.00 0.00 O ATOM 0 H TYR A 59 7.919 19.800 -8.377 1.00 0.00 H new ATOM 0 HA TYR A 59 9.484 22.011 -9.210 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.344 20.178 -7.855 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.926 19.005 -9.088 1.00 0.00 H new ATOM 0 HD1 TYR A 59 12.304 21.723 -8.179 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.259 18.680 -11.036 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.490 22.036 -9.326 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.403 19.032 -12.237 1.00 0.00 H new ATOM 0 HH TYR A 59 15.556 19.972 -11.972 1.00 0.00 H new ATOM 607 N ILE A 60 8.669 19.855 -11.600 1.00 0.00 N ATOM 608 CA ILE A 60 8.537 19.677 -13.052 1.00 0.00 C ATOM 609 C ILE A 60 7.589 20.733 -13.648 1.00 0.00 C ATOM 610 O ILE A 60 7.897 21.288 -14.702 1.00 0.00 O ATOM 611 CB ILE A 60 8.136 18.210 -13.335 1.00 0.00 C ATOM 612 CG1 ILE A 60 9.356 17.283 -13.095 1.00 0.00 C ATOM 613 CG2 ILE A 60 7.607 18.011 -14.769 1.00 0.00 C ATOM 614 CD1 ILE A 60 8.964 15.828 -12.805 1.00 0.00 C ATOM 0 H ILE A 60 8.344 19.051 -11.063 1.00 0.00 H new ATOM 0 HA ILE A 60 9.487 19.848 -13.558 1.00 0.00 H new ATOM 0 HB ILE A 60 7.326 17.955 -12.652 1.00 0.00 H new ATOM 0 HG12 ILE A 60 10.002 17.310 -13.972 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.938 17.669 -12.258 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.340 16.965 -14.916 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.727 18.635 -14.922 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.380 18.292 -15.484 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.864 15.233 -12.647 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.342 15.790 -11.911 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.407 15.426 -13.651 1.00 0.00 H new ATOM 626 N MET A 61 6.505 21.100 -12.952 1.00 0.00 N ATOM 627 CA MET A 61 5.604 22.187 -13.367 1.00 0.00 C ATOM 628 C MET A 61 6.259 23.577 -13.323 1.00 0.00 C ATOM 629 O MET A 61 6.063 24.355 -14.256 1.00 0.00 O ATOM 630 CB MET A 61 4.317 22.192 -12.521 1.00 0.00 C ATOM 631 CG MET A 61 3.344 21.024 -12.731 1.00 0.00 C ATOM 632 SD MET A 61 2.661 20.838 -14.398 1.00 0.00 S ATOM 633 CE MET A 61 3.864 19.647 -15.035 1.00 0.00 C ATOM 0 H MET A 61 6.226 20.650 -12.080 1.00 0.00 H new ATOM 0 HA MET A 61 5.358 21.982 -14.409 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.602 22.211 -11.469 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.782 23.120 -12.723 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.857 20.099 -12.467 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.515 21.139 -12.033 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.682 19.478 -16.096 1.00 0.00 H new ATOM 0 HE2 MET A 61 4.872 20.039 -14.898 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.764 18.705 -14.495 1.00 0.00 H new ATOM 643 N VAL A 62 7.028 23.921 -12.279 1.00 0.00 N ATOM 644 CA VAL A 62 7.642 25.256 -12.121 1.00 0.00 C ATOM 645 C VAL A 62 8.897 25.454 -12.979 1.00 0.00 C ATOM 646 O VAL A 62 9.188 26.570 -13.410 1.00 0.00 O ATOM 647 CB VAL A 62 7.850 25.590 -10.632 1.00 0.00 C ATOM 648 CG1 VAL A 62 8.995 24.847 -9.945 1.00 0.00 C ATOM 649 CG2 VAL A 62 8.091 27.082 -10.441 1.00 0.00 C ATOM 0 H VAL A 62 7.245 23.281 -11.515 1.00 0.00 H new ATOM 0 HA VAL A 62 6.936 25.987 -12.515 1.00 0.00 H new ATOM 0 HB VAL A 62 6.924 25.259 -10.162 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.054 25.155 -8.901 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.815 23.773 -9.997 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.934 25.082 -10.446 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.235 27.295 -9.382 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.981 27.381 -10.995 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.230 27.640 -10.809 1.00 0.00 H new ATOM 659 N LYS A 63 9.613 24.360 -13.267 1.00 0.00 N ATOM 660 CA LYS A 63 10.773 24.322 -14.178 1.00 0.00 C ATOM 661 C LYS A 63 10.398 24.002 -15.632 1.00 0.00 C ATOM 662 O LYS A 63 11.202 24.248 -16.531 1.00 0.00 O ATOM 663 CB LYS A 63 11.843 23.344 -13.640 1.00 0.00 C ATOM 664 CG LYS A 63 12.367 23.628 -12.218 1.00 0.00 C ATOM 665 CD LYS A 63 12.555 25.123 -11.911 1.00 0.00 C ATOM 666 CE LYS A 63 13.337 25.365 -10.612 1.00 0.00 C ATOM 667 NZ LYS A 63 14.801 25.152 -10.796 1.00 0.00 N ATOM 0 H LYS A 63 9.398 23.448 -12.863 1.00 0.00 H new ATOM 0 HA LYS A 63 11.191 25.328 -14.201 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.427 22.337 -13.658 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.690 23.351 -14.326 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.672 23.203 -11.494 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.320 23.117 -12.084 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.080 25.597 -12.740 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.578 25.601 -11.837 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.159 26.383 -10.266 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.967 24.695 -9.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.293 25.325 -9.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.974 24.173 -11.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.159 25.809 -11.518 1.00 0.00 H new ATOM 681 N GLN A 64 9.186 23.486 -15.868 1.00 0.00 N ATOM 682 CA GLN A 64 8.686 23.018 -17.160 1.00 0.00 C ATOM 683 C GLN A 64 9.614 21.974 -17.815 1.00 0.00 C ATOM 684 O GLN A 64 10.181 22.188 -18.888 1.00 0.00 O ATOM 685 CB GLN A 64 8.281 24.154 -18.125 1.00 0.00 C ATOM 686 CG GLN A 64 7.203 25.117 -17.603 1.00 0.00 C ATOM 687 CD GLN A 64 7.767 26.277 -16.783 1.00 0.00 C ATOM 688 OE1 GLN A 64 8.681 26.989 -17.184 1.00 0.00 O ATOM 689 NE2 GLN A 64 7.234 26.534 -15.611 1.00 0.00 N ATOM 0 H GLN A 64 8.496 23.380 -15.125 1.00 0.00 H new ATOM 0 HA GLN A 64 7.754 22.500 -16.933 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.172 24.733 -18.370 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.925 23.708 -19.054 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.645 25.518 -18.449 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.495 24.559 -16.990 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.473 25.954 -15.259 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.581 27.314 -15.053 1.00 0.00 H new ATOM 698 N LEU A 65 9.766 20.821 -17.150 1.00 0.00 N ATOM 699 CA LEU A 65 10.624 19.703 -17.580 1.00 0.00 C ATOM 700 C LEU A 65 9.846 18.670 -18.429 1.00 0.00 C ATOM 701 O LEU A 65 10.304 17.555 -18.678 1.00 0.00 O ATOM 702 CB LEU A 65 11.309 19.148 -16.320 1.00 0.00 C ATOM 703 CG LEU A 65 12.532 18.237 -16.533 1.00 0.00 C ATOM 704 CD1 LEU A 65 13.586 18.827 -17.473 1.00 0.00 C ATOM 705 CD2 LEU A 65 13.183 18.050 -15.167 1.00 0.00 C ATOM 0 H LEU A 65 9.282 20.632 -16.272 1.00 0.00 H new ATOM 0 HA LEU A 65 11.404 20.032 -18.266 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.618 19.992 -15.703 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.567 18.591 -15.749 1.00 0.00 H new ATOM 0 HG LEU A 65 12.183 17.310 -16.989 1.00 0.00 H new ATOM 0 HD11 LEU A 65 14.416 18.128 -17.573 1.00 0.00 H new ATOM 0 HD12 LEU A 65 13.141 19.005 -18.452 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.952 19.769 -17.064 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.059 17.408 -15.266 1.00 0.00 H new ATOM 0 HD22 LEU A 65 13.486 19.020 -14.773 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.470 17.588 -14.484 1.00 0.00 H new ATOM 717 N TYR A 66 8.643 19.061 -18.854 1.00 0.00 N ATOM 718 CA TYR A 66 7.657 18.300 -19.616 1.00 0.00 C ATOM 719 C TYR A 66 7.301 19.029 -20.920 1.00 0.00 C ATOM 720 O TYR A 66 7.506 20.242 -21.035 1.00 0.00 O ATOM 721 CB TYR A 66 6.402 18.081 -18.746 1.00 0.00 C ATOM 722 CG TYR A 66 5.611 19.357 -18.481 1.00 0.00 C ATOM 723 CD1 TYR A 66 6.026 20.268 -17.489 1.00 0.00 C ATOM 724 CD2 TYR A 66 4.484 19.658 -19.269 1.00 0.00 C ATOM 725 CE1 TYR A 66 5.329 21.479 -17.305 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.772 20.857 -19.072 1.00 0.00 C ATOM 727 CZ TYR A 66 4.200 21.778 -18.093 1.00 0.00 C ATOM 728 OH TYR A 66 3.537 22.952 -17.899 1.00 0.00 O ATOM 0 H TYR A 66 8.306 20.003 -18.655 1.00 0.00 H new ATOM 0 HA TYR A 66 8.077 17.331 -19.885 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.752 17.356 -19.237 1.00 0.00 H new ATOM 0 HB3 TYR A 66 6.703 17.646 -17.793 1.00 0.00 H new ATOM 0 HD1 TYR A 66 6.880 20.038 -16.869 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.163 18.964 -20.031 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.662 22.182 -16.556 1.00 0.00 H new ATOM 0 HE2 TYR A 66 2.899 21.071 -19.670 1.00 0.00 H new ATOM 0 HH TYR A 66 2.782 23.008 -18.522 1.00 0.00 H new ATOM 738 N ASP A 67 6.738 18.309 -21.894 1.00 0.00 N ATOM 739 CA ASP A 67 6.152 18.941 -23.083 1.00 0.00 C ATOM 740 C ASP A 67 4.653 19.186 -22.856 1.00 0.00 C ATOM 741 O ASP A 67 3.926 18.257 -22.502 1.00 0.00 O ATOM 742 CB ASP A 67 6.415 18.109 -24.348 1.00 0.00 C ATOM 743 CG ASP A 67 6.059 18.872 -25.638 1.00 0.00 C ATOM 744 OD1 ASP A 67 4.943 19.437 -25.739 1.00 0.00 O ATOM 745 OD2 ASP A 67 6.895 18.921 -26.568 1.00 0.00 O ATOM 0 H ASP A 67 6.675 17.291 -21.885 1.00 0.00 H new ATOM 0 HA ASP A 67 6.634 19.906 -23.242 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.466 17.821 -24.378 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.833 17.188 -24.301 1.00 0.00 H new ATOM 750 N GLN A 68 4.166 20.413 -23.085 1.00 0.00 N ATOM 751 CA GLN A 68 2.748 20.759 -22.907 1.00 0.00 C ATOM 752 C GLN A 68 1.777 19.851 -23.685 1.00 0.00 C ATOM 753 O GLN A 68 0.653 19.630 -23.227 1.00 0.00 O ATOM 754 CB GLN A 68 2.498 22.237 -23.266 1.00 0.00 C ATOM 755 CG GLN A 68 2.602 22.618 -24.760 1.00 0.00 C ATOM 756 CD GLN A 68 3.998 23.093 -25.172 1.00 0.00 C ATOM 757 OE1 GLN A 68 4.316 24.274 -25.106 1.00 0.00 O ATOM 758 NE2 GLN A 68 4.899 22.231 -25.598 1.00 0.00 N ATOM 0 H GLN A 68 4.743 21.194 -23.399 1.00 0.00 H new ATOM 0 HA GLN A 68 2.537 20.594 -21.850 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.502 22.508 -22.915 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.210 22.847 -22.709 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.326 21.756 -25.367 1.00 0.00 H new ATOM 0 HG3 GLN A 68 1.880 23.405 -24.977 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.666 21.240 -25.664 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.830 22.554 -25.861 1.00 0.00 H new ATOM 767 N GLN A 69 2.206 19.331 -24.843 1.00 0.00 N ATOM 768 CA GLN A 69 1.380 18.577 -25.778 1.00 0.00 C ATOM 769 C GLN A 69 1.469 17.049 -25.550 1.00 0.00 C ATOM 770 O GLN A 69 0.627 16.289 -26.032 1.00 0.00 O ATOM 771 CB GLN A 69 1.752 19.027 -27.200 1.00 0.00 C ATOM 772 CG GLN A 69 2.839 18.187 -27.880 1.00 0.00 C ATOM 773 CD GLN A 69 3.582 18.977 -28.954 1.00 0.00 C ATOM 774 OE1 GLN A 69 3.198 19.026 -30.117 1.00 0.00 O ATOM 775 NE2 GLN A 69 4.660 19.641 -28.599 1.00 0.00 N ATOM 0 H GLN A 69 3.171 19.431 -25.159 1.00 0.00 H new ATOM 0 HA GLN A 69 0.325 18.793 -25.612 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.855 19.004 -27.819 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.086 20.064 -27.161 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.549 17.837 -27.131 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.387 17.302 -28.328 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.986 19.605 -27.633 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.170 20.192 -29.289 1.00 0.00 H new ATOM 784 N GLU A 70 2.494 16.607 -24.810 1.00 0.00 N ATOM 785 CA GLU A 70 2.828 15.212 -24.489 1.00 0.00 C ATOM 786 C GLU A 70 3.283 15.108 -23.020 1.00 0.00 C ATOM 787 O GLU A 70 4.397 14.682 -22.710 1.00 0.00 O ATOM 788 CB GLU A 70 3.881 14.654 -25.470 1.00 0.00 C ATOM 789 CG GLU A 70 3.319 14.414 -26.877 1.00 0.00 C ATOM 790 CD GLU A 70 4.205 13.435 -27.669 1.00 0.00 C ATOM 791 OE1 GLU A 70 4.028 12.201 -27.511 1.00 0.00 O ATOM 792 OE2 GLU A 70 5.068 13.887 -28.462 1.00 0.00 O ATOM 0 H GLU A 70 3.158 17.259 -24.391 1.00 0.00 H new ATOM 0 HA GLU A 70 1.937 14.595 -24.607 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.717 15.351 -25.532 1.00 0.00 H new ATOM 0 HB3 GLU A 70 4.275 13.717 -25.077 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.307 14.016 -26.805 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.251 15.362 -27.411 1.00 0.00 H new ATOM 799 N GLN A 71 2.399 15.501 -22.092 1.00 0.00 N ATOM 800 CA GLN A 71 2.682 15.497 -20.642 1.00 0.00 C ATOM 801 C GLN A 71 2.940 14.074 -20.109 1.00 0.00 C ATOM 802 O GLN A 71 3.562 13.898 -19.062 1.00 0.00 O ATOM 803 CB GLN A 71 1.547 16.177 -19.858 1.00 0.00 C ATOM 804 CG GLN A 71 1.278 17.609 -20.351 1.00 0.00 C ATOM 805 CD GLN A 71 0.058 18.287 -19.731 1.00 0.00 C ATOM 806 OE1 GLN A 71 -0.415 17.962 -18.649 1.00 0.00 O ATOM 807 NE2 GLN A 71 -0.492 19.275 -20.408 1.00 0.00 N ATOM 0 H GLN A 71 1.462 15.833 -22.323 1.00 0.00 H new ATOM 0 HA GLN A 71 3.596 16.071 -20.491 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.637 15.585 -19.953 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.803 16.201 -18.799 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.158 18.219 -20.145 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.152 17.587 -21.433 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.105 19.553 -21.310 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.305 19.762 -20.030 1.00 0.00 H new ATOM 816 N HIS A 72 2.527 13.054 -20.877 1.00 0.00 N ATOM 817 CA HIS A 72 2.873 11.645 -20.673 1.00 0.00 C ATOM 818 C HIS A 72 4.377 11.355 -20.830 1.00 0.00 C ATOM 819 O HIS A 72 4.776 10.211 -20.636 1.00 0.00 O ATOM 820 CB HIS A 72 2.005 10.759 -21.585 1.00 0.00 C ATOM 821 CG HIS A 72 2.006 11.147 -23.047 1.00 0.00 C ATOM 822 ND1 HIS A 72 0.928 11.726 -23.723 1.00 0.00 N ATOM 823 CD2 HIS A 72 3.041 10.992 -23.923 1.00 0.00 C ATOM 824 CE1 HIS A 72 1.330 11.882 -24.996 1.00 0.00 C ATOM 825 NE2 HIS A 72 2.596 11.457 -25.142 1.00 0.00 N ATOM 0 H HIS A 72 1.921 13.196 -21.685 1.00 0.00 H new ATOM 0 HA HIS A 72 2.653 11.398 -19.634 1.00 0.00 H new ATOM 0 HB2 HIS A 72 2.349 9.728 -21.498 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.978 10.784 -21.219 1.00 0.00 H new ATOM 0 HD2 HIS A 72 4.017 10.585 -23.704 1.00 0.00 H new ATOM 0 HE1 HIS A 72 0.722 12.291 -25.789 1.00 0.00 H new ATOM 0 HE2 HIS A 72 3.136 11.475 -26.007 1.00 0.00 H new ATOM 833 N MET A 73 5.223 12.338 -21.152 1.00 0.00 N ATOM 834 CA MET A 73 6.686 12.244 -21.090 1.00 0.00 C ATOM 835 C MET A 73 7.294 13.404 -20.288 1.00 0.00 C ATOM 836 O MET A 73 6.826 14.545 -20.343 1.00 0.00 O ATOM 837 CB MET A 73 7.332 12.172 -22.482 1.00 0.00 C ATOM 838 CG MET A 73 7.320 10.753 -23.059 1.00 0.00 C ATOM 839 SD MET A 73 8.521 10.458 -24.390 1.00 0.00 S ATOM 840 CE MET A 73 10.076 10.412 -23.443 1.00 0.00 C ATOM 0 H MET A 73 4.899 13.250 -21.473 1.00 0.00 H new ATOM 0 HA MET A 73 6.905 11.309 -20.574 1.00 0.00 H new ATOM 0 HB2 MET A 73 6.803 12.841 -23.160 1.00 0.00 H new ATOM 0 HB3 MET A 73 8.360 12.528 -22.421 1.00 0.00 H new ATOM 0 HG2 MET A 73 7.514 10.047 -22.252 1.00 0.00 H new ATOM 0 HG3 MET A 73 6.320 10.539 -23.437 1.00 0.00 H new ATOM 0 HE1 MET A 73 10.899 10.150 -24.108 1.00 0.00 H new ATOM 0 HE2 MET A 73 10.263 11.391 -23.002 1.00 0.00 H new ATOM 0 HE3 MET A 73 9.998 9.667 -22.651 1.00 0.00 H new ATOM 850 N VAL A 74 8.383 13.101 -19.575 1.00 0.00 N ATOM 851 CA VAL A 74 9.219 14.065 -18.840 1.00 0.00 C ATOM 852 C VAL A 74 10.673 13.868 -19.277 1.00 0.00 C ATOM 853 O VAL A 74 11.123 12.734 -19.460 1.00 0.00 O ATOM 854 CB VAL A 74 9.063 13.922 -17.311 1.00 0.00 C ATOM 855 CG1 VAL A 74 9.690 15.111 -16.575 1.00 0.00 C ATOM 856 CG2 VAL A 74 7.596 13.850 -16.860 1.00 0.00 C ATOM 0 H VAL A 74 8.722 12.143 -19.488 1.00 0.00 H new ATOM 0 HA VAL A 74 8.894 15.078 -19.078 1.00 0.00 H new ATOM 0 HB VAL A 74 9.568 12.988 -17.065 1.00 0.00 H new ATOM 0 HG11 VAL A 74 9.564 14.981 -15.500 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.753 15.166 -16.812 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.200 16.033 -16.889 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.553 13.750 -15.775 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.078 14.760 -17.161 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.115 12.988 -17.323 1.00 0.00 H new ATOM 866 N TYR A 75 11.415 14.965 -19.441 1.00 0.00 N ATOM 867 CA TYR A 75 12.736 14.984 -20.080 1.00 0.00 C ATOM 868 C TYR A 75 13.886 15.322 -19.118 1.00 0.00 C ATOM 869 O TYR A 75 14.692 16.219 -19.374 1.00 0.00 O ATOM 870 CB TYR A 75 12.663 15.890 -21.319 1.00 0.00 C ATOM 871 CG TYR A 75 11.603 15.451 -22.315 1.00 0.00 C ATOM 872 CD1 TYR A 75 11.883 14.410 -23.223 1.00 0.00 C ATOM 873 CD2 TYR A 75 10.326 16.048 -22.302 1.00 0.00 C ATOM 874 CE1 TYR A 75 10.898 13.986 -24.136 1.00 0.00 C ATOM 875 CE2 TYR A 75 9.334 15.615 -23.204 1.00 0.00 C ATOM 876 CZ TYR A 75 9.623 14.592 -24.135 1.00 0.00 C ATOM 877 OH TYR A 75 8.684 14.189 -25.035 1.00 0.00 O ATOM 0 H TYR A 75 11.109 15.886 -19.127 1.00 0.00 H new ATOM 0 HA TYR A 75 12.989 13.974 -20.403 1.00 0.00 H new ATOM 0 HB2 TYR A 75 12.455 16.912 -21.003 1.00 0.00 H new ATOM 0 HB3 TYR A 75 13.635 15.900 -21.812 1.00 0.00 H new ATOM 0 HD1 TYR A 75 12.854 13.937 -23.219 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.108 16.839 -21.599 1.00 0.00 H new ATOM 0 HE1 TYR A 75 11.119 13.196 -24.838 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.352 16.065 -23.184 1.00 0.00 H new ATOM 0 HH TYR A 75 7.861 14.704 -24.902 1.00 0.00 H new ATOM 887 N CYS A 76 13.984 14.600 -17.994 1.00 0.00 N ATOM 888 CA CYS A 76 14.995 14.865 -16.962 1.00 0.00 C ATOM 889 C CYS A 76 16.442 14.509 -17.366 1.00 0.00 C ATOM 890 O CYS A 76 17.348 14.709 -16.564 1.00 0.00 O ATOM 891 CB CYS A 76 14.613 14.206 -15.628 1.00 0.00 C ATOM 892 SG CYS A 76 12.911 14.594 -15.125 1.00 0.00 S ATOM 0 H CYS A 76 13.367 13.818 -17.775 1.00 0.00 H new ATOM 0 HA CYS A 76 14.995 15.948 -16.838 1.00 0.00 H new ATOM 0 HB2 CYS A 76 14.726 13.125 -15.715 1.00 0.00 H new ATOM 0 HB3 CYS A 76 15.303 14.537 -14.852 1.00 0.00 H new ATOM 0 HG CYS A 76 12.648 14.008 -13.995 1.00 0.00 H new ATOM 898 N GLY A 77 16.710 14.032 -18.589 1.00 0.00 N ATOM 899 CA GLY A 77 18.078 13.877 -19.115 1.00 0.00 C ATOM 900 C GLY A 77 18.899 15.181 -19.133 1.00 0.00 C ATOM 901 O GLY A 77 20.125 15.134 -19.022 1.00 0.00 O ATOM 0 H GLY A 77 15.985 13.741 -19.245 1.00 0.00 H new ATOM 0 HA2 GLY A 77 18.605 13.137 -18.513 1.00 0.00 H new ATOM 0 HA3 GLY A 77 18.023 13.482 -20.129 1.00 0.00 H new ATOM 905 N GLY A 78 18.232 16.342 -19.197 1.00 0.00 N ATOM 906 CA GLY A 78 18.832 17.680 -19.049 1.00 0.00 C ATOM 907 C GLY A 78 18.894 18.219 -17.606 1.00 0.00 C ATOM 908 O GLY A 78 19.248 19.382 -17.405 1.00 0.00 O ATOM 0 H GLY A 78 17.226 16.379 -19.359 1.00 0.00 H new ATOM 0 HA2 GLY A 78 19.844 17.653 -19.453 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.265 18.384 -19.658 1.00 0.00 H new ATOM 912 N ASP A 79 18.524 17.412 -16.608 1.00 0.00 N ATOM 913 CA ASP A 79 18.408 17.779 -15.186 1.00 0.00 C ATOM 914 C ASP A 79 19.515 17.129 -14.327 1.00 0.00 C ATOM 915 O ASP A 79 20.247 16.255 -14.794 1.00 0.00 O ATOM 916 CB ASP A 79 17.005 17.351 -14.723 1.00 0.00 C ATOM 917 CG ASP A 79 16.624 17.902 -13.346 1.00 0.00 C ATOM 918 OD1 ASP A 79 16.204 19.079 -13.265 1.00 0.00 O ATOM 919 OD2 ASP A 79 16.785 17.153 -12.356 1.00 0.00 O ATOM 0 H ASP A 79 18.284 16.435 -16.774 1.00 0.00 H new ATOM 0 HA ASP A 79 18.540 18.854 -15.063 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.271 17.686 -15.456 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.956 16.262 -14.697 1.00 0.00 H new ATOM 924 N LEU A 80 19.619 17.503 -13.046 1.00 0.00 N ATOM 925 CA LEU A 80 20.463 16.821 -12.053 1.00 0.00 C ATOM 926 C LEU A 80 20.148 15.315 -11.951 1.00 0.00 C ATOM 927 O LEU A 80 21.053 14.497 -11.786 1.00 0.00 O ATOM 928 CB LEU A 80 20.226 17.471 -10.677 1.00 0.00 C ATOM 929 CG LEU A 80 20.719 18.920 -10.518 1.00 0.00 C ATOM 930 CD1 LEU A 80 20.355 19.424 -9.120 1.00 0.00 C ATOM 931 CD2 LEU A 80 22.234 19.046 -10.693 1.00 0.00 C ATOM 0 H LEU A 80 19.112 18.301 -12.663 1.00 0.00 H new ATOM 0 HA LEU A 80 21.501 16.922 -12.370 1.00 0.00 H new ATOM 0 HB2 LEU A 80 19.157 17.447 -10.466 1.00 0.00 H new ATOM 0 HB3 LEU A 80 20.714 16.858 -9.919 1.00 0.00 H new ATOM 0 HG LEU A 80 20.237 19.512 -11.296 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.702 20.450 -9.002 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.273 19.389 -8.991 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.830 18.792 -8.370 1.00 0.00 H new ATOM 0 HD21 LEU A 80 22.529 20.088 -10.571 1.00 0.00 H new ATOM 0 HD22 LEU A 80 22.739 18.436 -9.944 1.00 0.00 H new ATOM 0 HD23 LEU A 80 22.515 18.704 -11.689 1.00 0.00 H new ATOM 943 N LEU A 81 18.877 14.930 -12.097 1.00 0.00 N ATOM 944 CA LEU A 81 18.450 13.524 -12.144 1.00 0.00 C ATOM 945 C LEU A 81 19.108 12.781 -13.331 1.00 0.00 C ATOM 946 O LEU A 81 19.631 11.672 -13.182 1.00 0.00 O ATOM 947 CB LEU A 81 16.905 13.519 -12.201 1.00 0.00 C ATOM 948 CG LEU A 81 16.220 12.314 -11.539 1.00 0.00 C ATOM 949 CD1 LEU A 81 16.391 12.293 -10.022 1.00 0.00 C ATOM 950 CD2 LEU A 81 14.721 12.353 -11.833 1.00 0.00 C ATOM 0 H LEU A 81 18.105 15.591 -12.187 1.00 0.00 H new ATOM 0 HA LEU A 81 18.776 12.981 -11.257 1.00 0.00 H new ATOM 0 HB2 LEU A 81 16.539 14.429 -11.725 1.00 0.00 H new ATOM 0 HB3 LEU A 81 16.598 13.560 -13.246 1.00 0.00 H new ATOM 0 HG LEU A 81 16.693 11.424 -11.953 1.00 0.00 H new ATOM 0 HD11 LEU A 81 15.886 11.419 -9.611 1.00 0.00 H new ATOM 0 HD12 LEU A 81 17.452 12.248 -9.776 1.00 0.00 H new ATOM 0 HD13 LEU A 81 15.958 13.197 -9.594 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.236 11.498 -11.363 1.00 0.00 H new ATOM 0 HD22 LEU A 81 14.296 13.275 -11.436 1.00 0.00 H new ATOM 0 HD23 LEU A 81 14.560 12.314 -12.910 1.00 0.00 H new ATOM 962 N GLY A 82 19.156 13.441 -14.491 1.00 0.00 N ATOM 963 CA GLY A 82 19.870 12.999 -15.687 1.00 0.00 C ATOM 964 C GLY A 82 21.389 12.964 -15.516 1.00 0.00 C ATOM 965 O GLY A 82 22.008 11.966 -15.872 1.00 0.00 O ATOM 0 H GLY A 82 18.679 14.333 -14.626 1.00 0.00 H new ATOM 0 HA2 GLY A 82 19.521 12.004 -15.961 1.00 0.00 H new ATOM 0 HA3 GLY A 82 19.621 13.663 -16.515 1.00 0.00 H new ATOM 969 N GLU A 83 22.005 13.987 -14.915 1.00 0.00 N ATOM 970 CA GLU A 83 23.463 14.016 -14.713 1.00 0.00 C ATOM 971 C GLU A 83 23.936 12.956 -13.695 1.00 0.00 C ATOM 972 O GLU A 83 25.048 12.436 -13.819 1.00 0.00 O ATOM 973 CB GLU A 83 23.940 15.453 -14.419 1.00 0.00 C ATOM 974 CG GLU A 83 24.097 15.861 -12.946 1.00 0.00 C ATOM 975 CD GLU A 83 25.494 15.543 -12.369 1.00 0.00 C ATOM 976 OE1 GLU A 83 26.507 16.091 -12.874 1.00 0.00 O ATOM 977 OE2 GLU A 83 25.595 14.781 -11.378 1.00 0.00 O ATOM 0 H GLU A 83 21.518 14.809 -14.558 1.00 0.00 H new ATOM 0 HA GLU A 83 23.951 13.722 -15.642 1.00 0.00 H new ATOM 0 HB2 GLU A 83 24.902 15.596 -14.912 1.00 0.00 H new ATOM 0 HB3 GLU A 83 23.237 16.143 -14.886 1.00 0.00 H new ATOM 0 HG2 GLU A 83 23.907 16.930 -12.850 1.00 0.00 H new ATOM 0 HG3 GLU A 83 23.341 15.348 -12.352 1.00 0.00 H new ATOM 984 N LEU A 84 23.062 12.563 -12.756 1.00 0.00 N ATOM 985 CA LEU A 84 23.255 11.434 -11.852 1.00 0.00 C ATOM 986 C LEU A 84 23.130 10.080 -12.583 1.00 0.00 C ATOM 987 O LEU A 84 24.041 9.254 -12.491 1.00 0.00 O ATOM 988 CB LEU A 84 22.244 11.585 -10.696 1.00 0.00 C ATOM 989 CG LEU A 84 22.077 10.338 -9.816 1.00 0.00 C ATOM 990 CD1 LEU A 84 23.355 9.954 -9.070 1.00 0.00 C ATOM 991 CD2 LEU A 84 20.969 10.567 -8.790 1.00 0.00 C ATOM 0 H LEU A 84 22.174 13.042 -12.605 1.00 0.00 H new ATOM 0 HA LEU A 84 24.268 11.440 -11.451 1.00 0.00 H new ATOM 0 HB2 LEU A 84 22.557 12.417 -10.066 1.00 0.00 H new ATOM 0 HB3 LEU A 84 21.273 11.849 -11.114 1.00 0.00 H new ATOM 0 HG LEU A 84 21.825 9.520 -10.491 1.00 0.00 H new ATOM 0 HD11 LEU A 84 23.171 9.065 -8.466 1.00 0.00 H new ATOM 0 HD12 LEU A 84 24.148 9.746 -9.789 1.00 0.00 H new ATOM 0 HD13 LEU A 84 23.659 10.776 -8.422 1.00 0.00 H new ATOM 0 HD21 LEU A 84 20.858 9.677 -8.170 1.00 0.00 H new ATOM 0 HD22 LEU A 84 21.227 11.418 -8.160 1.00 0.00 H new ATOM 0 HD23 LEU A 84 20.031 10.769 -9.307 1.00 0.00 H new ATOM 1003 N LEU A 85 22.017 9.828 -13.291 1.00 0.00 N ATOM 1004 CA LEU A 85 21.707 8.502 -13.857 1.00 0.00 C ATOM 1005 C LEU A 85 22.296 8.305 -15.278 1.00 0.00 C ATOM 1006 O LEU A 85 22.155 7.244 -15.885 1.00 0.00 O ATOM 1007 CB LEU A 85 20.169 8.322 -13.772 1.00 0.00 C ATOM 1008 CG LEU A 85 19.583 6.939 -13.408 1.00 0.00 C ATOM 1009 CD1 LEU A 85 19.909 5.818 -14.386 1.00 0.00 C ATOM 1010 CD2 LEU A 85 20.012 6.491 -12.010 1.00 0.00 C ATOM 0 H LEU A 85 21.308 10.534 -13.488 1.00 0.00 H new ATOM 0 HA LEU A 85 22.191 7.712 -13.282 1.00 0.00 H new ATOM 0 HB2 LEU A 85 19.797 9.038 -13.039 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.753 8.609 -14.738 1.00 0.00 H new ATOM 0 HG LEU A 85 18.507 7.104 -13.453 1.00 0.00 H new ATOM 0 HD11 LEU A 85 19.453 4.890 -14.041 1.00 0.00 H new ATOM 0 HD12 LEU A 85 19.518 6.070 -15.372 1.00 0.00 H new ATOM 0 HD13 LEU A 85 20.990 5.690 -14.446 1.00 0.00 H new ATOM 0 HD21 LEU A 85 19.579 5.515 -11.792 1.00 0.00 H new ATOM 0 HD22 LEU A 85 21.099 6.424 -11.967 1.00 0.00 H new ATOM 0 HD23 LEU A 85 19.664 7.215 -11.273 1.00 0.00 H new ATOM 1022 N GLY A 86 22.901 9.343 -15.862 1.00 0.00 N ATOM 1023 CA GLY A 86 23.335 9.417 -17.268 1.00 0.00 C ATOM 1024 C GLY A 86 22.183 9.712 -18.246 1.00 0.00 C ATOM 1025 O GLY A 86 22.393 10.321 -19.298 1.00 0.00 O ATOM 0 H GLY A 86 23.114 10.197 -15.347 1.00 0.00 H new ATOM 0 HA2 GLY A 86 24.094 10.193 -17.366 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.806 8.474 -17.546 1.00 0.00 H new ATOM 1029 N ARG A 87 20.961 9.306 -17.873 1.00 0.00 N ATOM 1030 CA ARG A 87 19.678 9.517 -18.566 1.00 0.00 C ATOM 1031 C ARG A 87 18.522 9.366 -17.572 1.00 0.00 C ATOM 1032 O ARG A 87 18.509 8.429 -16.784 1.00 0.00 O ATOM 1033 CB ARG A 87 19.534 8.539 -19.761 1.00 0.00 C ATOM 1034 CG ARG A 87 19.271 7.049 -19.447 1.00 0.00 C ATOM 1035 CD ARG A 87 20.268 6.442 -18.450 1.00 0.00 C ATOM 1036 NE ARG A 87 20.110 4.983 -18.311 1.00 0.00 N ATOM 1037 CZ ARG A 87 20.929 4.162 -17.674 1.00 0.00 C ATOM 1038 NH1 ARG A 87 21.938 4.592 -16.969 1.00 0.00 N ATOM 1039 NH2 ARG A 87 20.743 2.874 -17.734 1.00 0.00 N ATOM 0 H ARG A 87 20.832 8.779 -17.009 1.00 0.00 H new ATOM 0 HA ARG A 87 19.651 10.529 -18.970 1.00 0.00 H new ATOM 0 HB2 ARG A 87 18.719 8.897 -20.390 1.00 0.00 H new ATOM 0 HB3 ARG A 87 20.446 8.600 -20.355 1.00 0.00 H new ATOM 0 HG2 ARG A 87 18.262 6.944 -19.048 1.00 0.00 H new ATOM 0 HG3 ARG A 87 19.307 6.479 -20.376 1.00 0.00 H new ATOM 0 HD2 ARG A 87 21.284 6.665 -18.776 1.00 0.00 H new ATOM 0 HD3 ARG A 87 20.135 6.913 -17.476 1.00 0.00 H new ATOM 0 HE ARG A 87 19.289 4.565 -18.749 1.00 0.00 H new ATOM 0 HH11 ARG A 87 22.118 5.593 -16.894 1.00 0.00 H new ATOM 0 HH12 ARG A 87 22.547 3.927 -16.492 1.00 0.00 H new ATOM 0 HH21 ARG A 87 19.964 2.496 -18.273 1.00 0.00 H new ATOM 0 HH22 ARG A 87 21.376 2.244 -17.242 1.00 0.00 H new ATOM 1053 N GLN A 88 17.546 10.264 -17.591 1.00 0.00 N ATOM 1054 CA GLN A 88 16.335 10.146 -16.755 1.00 0.00 C ATOM 1055 C GLN A 88 15.102 10.695 -17.495 1.00 0.00 C ATOM 1056 O GLN A 88 14.148 11.174 -16.890 1.00 0.00 O ATOM 1057 CB GLN A 88 16.612 10.742 -15.351 1.00 0.00 C ATOM 1058 CG GLN A 88 16.696 9.679 -14.234 1.00 0.00 C ATOM 1059 CD GLN A 88 15.348 9.330 -13.589 1.00 0.00 C ATOM 1060 OE1 GLN A 88 14.277 9.717 -14.030 1.00 0.00 O ATOM 1061 NE2 GLN A 88 15.334 8.602 -12.492 1.00 0.00 N ATOM 0 H GLN A 88 17.561 11.096 -18.181 1.00 0.00 H new ATOM 0 HA GLN A 88 16.083 9.101 -16.575 1.00 0.00 H new ATOM 0 HB2 GLN A 88 17.548 11.301 -15.381 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.824 11.454 -15.105 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.134 8.770 -14.646 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.374 10.036 -13.459 1.00 0.00 H new ATOM 0 HE21 GLN A 88 16.210 8.261 -12.095 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.448 8.379 -12.039 1.00 0.00 H new ATOM 1070 N SER A 89 15.122 10.627 -18.831 1.00 0.00 N ATOM 1071 CA SER A 89 13.930 10.928 -19.645 1.00 0.00 C ATOM 1072 C SER A 89 13.099 9.657 -19.817 1.00 0.00 C ATOM 1073 O SER A 89 13.643 8.577 -20.067 1.00 0.00 O ATOM 1074 CB SER A 89 14.269 11.548 -20.996 1.00 0.00 C ATOM 1075 OG SER A 89 15.147 12.654 -20.817 1.00 0.00 O ATOM 0 H SER A 89 15.946 10.367 -19.374 1.00 0.00 H new ATOM 0 HA SER A 89 13.348 11.680 -19.111 1.00 0.00 H new ATOM 0 HB2 SER A 89 14.736 10.803 -21.640 1.00 0.00 H new ATOM 0 HB3 SER A 89 13.357 11.874 -21.495 1.00 0.00 H new ATOM 0 HG SER A 89 15.362 13.046 -21.689 1.00 0.00 H new ATOM 1081 N PHE A 90 11.784 9.778 -19.657 1.00 0.00 N ATOM 1082 CA PHE A 90 10.863 8.637 -19.560 1.00 0.00 C ATOM 1083 C PHE A 90 9.417 8.998 -19.906 1.00 0.00 C ATOM 1084 O PHE A 90 9.055 10.175 -19.992 1.00 0.00 O ATOM 1085 CB PHE A 90 10.932 8.049 -18.133 1.00 0.00 C ATOM 1086 CG PHE A 90 10.229 8.864 -17.056 1.00 0.00 C ATOM 1087 CD1 PHE A 90 10.812 10.046 -16.560 1.00 0.00 C ATOM 1088 CD2 PHE A 90 9.001 8.425 -16.526 1.00 0.00 C ATOM 1089 CE1 PHE A 90 10.175 10.782 -15.545 1.00 0.00 C ATOM 1090 CE2 PHE A 90 8.357 9.170 -15.522 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.942 10.349 -15.030 1.00 0.00 C ATOM 0 H PHE A 90 11.316 10.682 -19.590 1.00 0.00 H new ATOM 0 HA PHE A 90 11.182 7.900 -20.297 1.00 0.00 H new ATOM 0 HB2 PHE A 90 10.498 7.049 -18.149 1.00 0.00 H new ATOM 0 HB3 PHE A 90 11.980 7.938 -17.854 1.00 0.00 H new ATOM 0 HD1 PHE A 90 11.754 10.389 -16.961 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.552 7.513 -16.892 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.634 11.681 -15.161 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.409 8.835 -15.128 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.446 10.920 -14.259 1.00 0.00 H new ATOM 1101 N SER A 91 8.584 7.965 -20.063 1.00 0.00 N ATOM 1102 CA SER A 91 7.135 8.105 -20.196 1.00 0.00 C ATOM 1103 C SER A 91 6.395 7.583 -18.981 1.00 0.00 C ATOM 1104 O SER A 91 6.686 6.516 -18.440 1.00 0.00 O ATOM 1105 CB SER A 91 6.657 7.359 -21.434 1.00 0.00 C ATOM 1106 OG SER A 91 5.303 7.656 -21.729 1.00 0.00 O ATOM 0 H SER A 91 8.903 6.997 -20.101 1.00 0.00 H new ATOM 0 HA SER A 91 6.919 9.169 -20.287 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.283 7.626 -22.285 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.770 6.286 -21.280 1.00 0.00 H new ATOM 0 HG SER A 91 5.079 8.544 -21.379 1.00 0.00 H new ATOM 1112 N VAL A 92 5.409 8.371 -18.567 1.00 0.00 N ATOM 1113 CA VAL A 92 4.678 8.175 -17.321 1.00 0.00 C ATOM 1114 C VAL A 92 3.614 7.064 -17.384 1.00 0.00 C ATOM 1115 O VAL A 92 3.129 6.595 -16.354 1.00 0.00 O ATOM 1116 CB VAL A 92 4.170 9.525 -16.756 1.00 0.00 C ATOM 1117 CG1 VAL A 92 4.219 9.452 -15.242 1.00 0.00 C ATOM 1118 CG2 VAL A 92 5.027 10.752 -17.125 1.00 0.00 C ATOM 0 H VAL A 92 5.089 9.180 -19.099 1.00 0.00 H new ATOM 0 HA VAL A 92 5.388 7.785 -16.592 1.00 0.00 H new ATOM 0 HB VAL A 92 3.176 9.659 -17.184 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.865 10.393 -14.821 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.582 8.638 -14.896 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.245 9.273 -14.919 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.590 11.647 -16.683 1.00 0.00 H new ATOM 0 HG22 VAL A 92 6.039 10.617 -16.744 1.00 0.00 H new ATOM 0 HG23 VAL A 92 5.059 10.861 -18.209 1.00 0.00 H new ATOM 1128 N LYS A 93 3.275 6.605 -18.599 1.00 0.00 N ATOM 1129 CA LYS A 93 2.282 5.545 -18.879 1.00 0.00 C ATOM 1130 C LYS A 93 2.801 4.106 -18.712 1.00 0.00 C ATOM 1131 O LYS A 93 2.024 3.157 -18.816 1.00 0.00 O ATOM 1132 CB LYS A 93 1.708 5.779 -20.288 1.00 0.00 C ATOM 1133 CG LYS A 93 2.700 5.419 -21.408 1.00 0.00 C ATOM 1134 CD LYS A 93 2.284 6.024 -22.755 1.00 0.00 C ATOM 1135 CE LYS A 93 3.357 5.723 -23.810 1.00 0.00 C ATOM 1136 NZ LYS A 93 2.986 6.269 -25.145 1.00 0.00 N ATOM 0 H LYS A 93 3.700 6.974 -19.450 1.00 0.00 H new ATOM 0 HA LYS A 93 1.502 5.627 -18.122 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.802 5.186 -20.408 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.420 6.825 -20.388 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.695 5.776 -21.141 1.00 0.00 H new ATOM 0 HG3 LYS A 93 2.765 4.335 -21.501 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.325 5.612 -23.069 1.00 0.00 H new ATOM 0 HD3 LYS A 93 2.150 7.101 -22.655 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.308 6.151 -23.494 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.501 4.645 -23.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.735 6.046 -25.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.091 5.842 -25.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.873 7.301 -25.079 1.00 0.00 H new ATOM 1150 N ASP A 94 4.105 3.944 -18.485 1.00 0.00 N ATOM 1151 CA ASP A 94 4.824 2.665 -18.452 1.00 0.00 C ATOM 1152 C ASP A 94 5.472 2.433 -17.064 1.00 0.00 C ATOM 1153 O ASP A 94 6.631 2.802 -16.847 1.00 0.00 O ATOM 1154 CB ASP A 94 5.817 2.621 -19.627 1.00 0.00 C ATOM 1155 CG ASP A 94 6.323 1.200 -19.945 1.00 0.00 C ATOM 1156 OD1 ASP A 94 5.900 0.217 -19.289 1.00 0.00 O ATOM 1157 OD2 ASP A 94 7.124 1.058 -20.901 1.00 0.00 O ATOM 0 H ASP A 94 4.721 4.738 -18.310 1.00 0.00 H new ATOM 0 HA ASP A 94 4.134 1.831 -18.584 1.00 0.00 H new ATOM 0 HB2 ASP A 94 5.338 3.036 -20.514 1.00 0.00 H new ATOM 0 HB3 ASP A 94 6.670 3.260 -19.397 1.00 0.00 H new ATOM 1162 N PRO A 95 4.726 1.880 -16.084 1.00 0.00 N ATOM 1163 CA PRO A 95 5.164 1.761 -14.689 1.00 0.00 C ATOM 1164 C PRO A 95 6.369 0.833 -14.456 1.00 0.00 C ATOM 1165 O PRO A 95 7.119 1.063 -13.509 1.00 0.00 O ATOM 1166 CB PRO A 95 3.929 1.285 -13.909 1.00 0.00 C ATOM 1167 CG PRO A 95 3.055 0.621 -14.971 1.00 0.00 C ATOM 1168 CD PRO A 95 3.329 1.493 -16.191 1.00 0.00 C ATOM 0 HA PRO A 95 5.535 2.728 -14.350 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.201 0.584 -13.120 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.413 2.118 -13.431 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.336 -0.418 -15.140 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.001 0.625 -14.694 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.143 0.945 -17.115 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.679 2.368 -16.202 1.00 0.00 H new ATOM 1176 N SER A 96 6.602 -0.182 -15.296 1.00 0.00 N ATOM 1177 CA SER A 96 7.705 -1.147 -15.108 1.00 0.00 C ATOM 1178 C SER A 96 9.110 -0.518 -15.188 1.00 0.00 C ATOM 1179 O SER A 96 9.858 -0.634 -14.211 1.00 0.00 O ATOM 1180 CB SER A 96 7.595 -2.330 -16.078 1.00 0.00 C ATOM 1181 OG SER A 96 6.390 -3.049 -15.846 1.00 0.00 O ATOM 0 H SER A 96 6.036 -0.362 -16.125 1.00 0.00 H new ATOM 0 HA SER A 96 7.588 -1.512 -14.087 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.619 -1.969 -17.106 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.451 -2.992 -15.953 1.00 0.00 H new ATOM 0 HG SER A 96 6.331 -3.800 -16.473 1.00 0.00 H new ATOM 1187 N PRO A 97 9.500 0.188 -16.275 1.00 0.00 N ATOM 1188 CA PRO A 97 10.792 0.875 -16.328 1.00 0.00 C ATOM 1189 C PRO A 97 10.874 2.043 -15.332 1.00 0.00 C ATOM 1190 O PRO A 97 11.947 2.338 -14.807 1.00 0.00 O ATOM 1191 CB PRO A 97 10.944 1.358 -17.776 1.00 0.00 C ATOM 1192 CG PRO A 97 9.502 1.517 -18.252 1.00 0.00 C ATOM 1193 CD PRO A 97 8.805 0.358 -17.545 1.00 0.00 C ATOM 0 HA PRO A 97 11.601 0.204 -16.040 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.491 2.300 -17.830 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.490 0.637 -18.384 1.00 0.00 H new ATOM 0 HG2 PRO A 97 9.082 2.481 -17.966 1.00 0.00 H new ATOM 0 HG3 PRO A 97 9.420 1.442 -19.336 1.00 0.00 H new ATOM 0 HD2 PRO A 97 7.749 0.576 -17.386 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.856 -0.552 -18.143 1.00 0.00 H new ATOM 1201 N LEU A 98 9.743 2.685 -15.014 1.00 0.00 N ATOM 1202 CA LEU A 98 9.663 3.760 -14.036 1.00 0.00 C ATOM 1203 C LEU A 98 9.985 3.259 -12.616 1.00 0.00 C ATOM 1204 O LEU A 98 10.770 3.891 -11.911 1.00 0.00 O ATOM 1205 CB LEU A 98 8.271 4.396 -14.196 1.00 0.00 C ATOM 1206 CG LEU A 98 7.857 5.345 -13.070 1.00 0.00 C ATOM 1207 CD1 LEU A 98 8.826 6.515 -12.920 1.00 0.00 C ATOM 1208 CD2 LEU A 98 6.452 5.882 -13.340 1.00 0.00 C ATOM 0 H LEU A 98 8.844 2.462 -15.442 1.00 0.00 H new ATOM 0 HA LEU A 98 10.418 4.527 -14.208 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.245 4.943 -15.139 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.531 3.599 -14.269 1.00 0.00 H new ATOM 0 HG LEU A 98 7.873 4.777 -12.140 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.492 7.162 -12.109 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.823 6.135 -12.695 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.856 7.084 -13.849 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.160 6.558 -12.536 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.444 6.421 -14.288 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.748 5.051 -13.389 1.00 0.00 H new ATOM 1220 N TYR A 99 9.465 2.096 -12.218 1.00 0.00 N ATOM 1221 CA TYR A 99 9.818 1.456 -10.948 1.00 0.00 C ATOM 1222 C TYR A 99 11.319 1.129 -10.866 1.00 0.00 C ATOM 1223 O TYR A 99 11.939 1.359 -9.828 1.00 0.00 O ATOM 1224 CB TYR A 99 8.966 0.197 -10.745 1.00 0.00 C ATOM 1225 CG TYR A 99 9.207 -0.476 -9.405 1.00 0.00 C ATOM 1226 CD1 TYR A 99 8.565 0.014 -8.251 1.00 0.00 C ATOM 1227 CD2 TYR A 99 10.099 -1.563 -9.306 1.00 0.00 C ATOM 1228 CE1 TYR A 99 8.811 -0.581 -6.997 1.00 0.00 C ATOM 1229 CE2 TYR A 99 10.350 -2.158 -8.054 1.00 0.00 C ATOM 1230 CZ TYR A 99 9.707 -1.669 -6.896 1.00 0.00 C ATOM 1231 OH TYR A 99 9.951 -2.252 -5.689 1.00 0.00 O ATOM 0 H TYR A 99 8.786 1.570 -12.768 1.00 0.00 H new ATOM 0 HA TYR A 99 9.606 2.161 -10.144 1.00 0.00 H new ATOM 0 HB2 TYR A 99 7.912 0.462 -10.827 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.180 -0.512 -11.545 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.883 0.848 -8.327 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.590 -1.940 -10.191 1.00 0.00 H new ATOM 0 HE1 TYR A 99 8.315 -0.206 -6.114 1.00 0.00 H new ATOM 0 HE2 TYR A 99 11.035 -2.989 -7.980 1.00 0.00 H new ATOM 0 HH TYR A 99 10.591 -2.985 -5.803 1.00 0.00 H new ATOM 1241 N ASP A 100 11.930 0.670 -11.965 1.00 0.00 N ATOM 1242 CA ASP A 100 13.370 0.387 -12.027 1.00 0.00 C ATOM 1243 C ASP A 100 14.228 1.640 -11.780 1.00 0.00 C ATOM 1244 O ASP A 100 15.182 1.594 -11.003 1.00 0.00 O ATOM 1245 CB ASP A 100 13.712 -0.224 -13.389 1.00 0.00 C ATOM 1246 CG ASP A 100 15.121 -0.839 -13.388 1.00 0.00 C ATOM 1247 OD1 ASP A 100 15.308 -1.924 -12.787 1.00 0.00 O ATOM 1248 OD2 ASP A 100 16.044 -0.248 -13.999 1.00 0.00 O ATOM 0 H ASP A 100 11.439 0.484 -12.839 1.00 0.00 H new ATOM 0 HA ASP A 100 13.602 -0.319 -11.230 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.979 -0.990 -13.641 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.649 0.543 -14.160 1.00 0.00 H new ATOM 1253 N MET A 101 13.852 2.775 -12.382 1.00 0.00 N ATOM 1254 CA MET A 101 14.495 4.073 -12.113 1.00 0.00 C ATOM 1255 C MET A 101 14.296 4.536 -10.660 1.00 0.00 C ATOM 1256 O MET A 101 15.259 4.876 -9.976 1.00 0.00 O ATOM 1257 CB MET A 101 13.891 5.168 -12.993 1.00 0.00 C ATOM 1258 CG MET A 101 14.112 5.063 -14.500 1.00 0.00 C ATOM 1259 SD MET A 101 13.644 6.588 -15.376 1.00 0.00 S ATOM 1260 CE MET A 101 12.007 6.958 -14.660 1.00 0.00 C ATOM 0 H MET A 101 13.097 2.823 -13.067 1.00 0.00 H new ATOM 0 HA MET A 101 15.555 3.923 -12.319 1.00 0.00 H new ATOM 0 HB2 MET A 101 12.816 5.191 -12.811 1.00 0.00 H new ATOM 0 HB3 MET A 101 14.291 6.126 -12.660 1.00 0.00 H new ATOM 0 HG2 MET A 101 15.161 4.841 -14.696 1.00 0.00 H new ATOM 0 HG3 MET A 101 13.531 4.228 -14.893 1.00 0.00 H new ATOM 0 HE1 MET A 101 11.775 8.013 -14.808 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.249 6.348 -15.151 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.018 6.735 -13.593 1.00 0.00 H new ATOM 1270 N LEU A 102 13.053 4.517 -10.165 1.00 0.00 N ATOM 1271 CA LEU A 102 12.691 4.882 -8.789 1.00 0.00 C ATOM 1272 C LEU A 102 13.526 4.092 -7.778 1.00 0.00 C ATOM 1273 O LEU A 102 14.182 4.709 -6.943 1.00 0.00 O ATOM 1274 CB LEU A 102 11.179 4.679 -8.571 1.00 0.00 C ATOM 1275 CG LEU A 102 10.271 5.736 -9.239 1.00 0.00 C ATOM 1276 CD1 LEU A 102 8.826 5.246 -9.164 1.00 0.00 C ATOM 1277 CD2 LEU A 102 10.368 7.088 -8.526 1.00 0.00 C ATOM 0 H LEU A 102 12.248 4.239 -10.726 1.00 0.00 H new ATOM 0 HA LEU A 102 12.914 5.937 -8.630 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.902 3.695 -8.949 1.00 0.00 H new ATOM 0 HB3 LEU A 102 10.980 4.677 -7.499 1.00 0.00 H new ATOM 0 HG LEU A 102 10.593 5.869 -10.272 1.00 0.00 H new ATOM 0 HD11 LEU A 102 8.168 5.979 -9.631 1.00 0.00 H new ATOM 0 HD12 LEU A 102 8.737 4.294 -9.687 1.00 0.00 H new ATOM 0 HD13 LEU A 102 8.540 5.115 -8.120 1.00 0.00 H new ATOM 0 HD21 LEU A 102 9.717 7.808 -9.022 1.00 0.00 H new ATOM 0 HD22 LEU A 102 10.059 6.974 -7.487 1.00 0.00 H new ATOM 0 HD23 LEU A 102 11.397 7.445 -8.561 1.00 0.00 H new ATOM 1289 N ARG A 103 13.641 2.767 -7.932 1.00 0.00 N ATOM 1290 CA ARG A 103 14.460 1.875 -7.102 1.00 0.00 C ATOM 1291 C ARG A 103 15.953 2.244 -7.033 1.00 0.00 C ATOM 1292 O ARG A 103 16.638 1.803 -6.108 1.00 0.00 O ATOM 1293 CB ARG A 103 14.210 0.455 -7.644 1.00 0.00 C ATOM 1294 CG ARG A 103 14.710 -0.658 -6.726 1.00 0.00 C ATOM 1295 CD ARG A 103 16.091 -1.193 -7.133 1.00 0.00 C ATOM 1296 NE ARG A 103 16.631 -2.112 -6.119 1.00 0.00 N ATOM 1297 CZ ARG A 103 17.242 -1.809 -4.989 1.00 0.00 C ATOM 1298 NH1 ARG A 103 17.488 -0.579 -4.623 1.00 0.00 N ATOM 1299 NH2 ARG A 103 17.635 -2.768 -4.203 1.00 0.00 N ATOM 0 H ARG A 103 13.145 2.266 -8.669 1.00 0.00 H new ATOM 0 HA ARG A 103 14.161 1.964 -6.058 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.141 0.323 -7.808 1.00 0.00 H new ATOM 0 HB3 ARG A 103 14.696 0.357 -8.615 1.00 0.00 H new ATOM 0 HG2 ARG A 103 14.758 -0.284 -5.703 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.992 -1.478 -6.733 1.00 0.00 H new ATOM 0 HD2 ARG A 103 16.015 -1.709 -8.090 1.00 0.00 H new ATOM 0 HD3 ARG A 103 16.779 -0.359 -7.274 1.00 0.00 H new ATOM 0 HE ARG A 103 16.519 -3.107 -6.313 1.00 0.00 H new ATOM 0 HH11 ARG A 103 17.205 0.197 -5.221 1.00 0.00 H new ATOM 0 HH12 ARG A 103 17.963 -0.395 -3.739 1.00 0.00 H new ATOM 0 HH21 ARG A 103 17.470 -3.740 -4.463 1.00 0.00 H new ATOM 0 HH22 ARG A 103 18.108 -2.548 -3.327 1.00 0.00 H new ATOM 1313 N LYS A 104 16.454 3.054 -7.976 1.00 0.00 N ATOM 1314 CA LYS A 104 17.810 3.640 -7.985 1.00 0.00 C ATOM 1315 C LYS A 104 17.875 5.070 -7.436 1.00 0.00 C ATOM 1316 O LYS A 104 18.952 5.472 -6.998 1.00 0.00 O ATOM 1317 CB LYS A 104 18.387 3.583 -9.417 1.00 0.00 C ATOM 1318 CG LYS A 104 18.514 2.165 -10.002 1.00 0.00 C ATOM 1319 CD LYS A 104 19.563 1.295 -9.292 1.00 0.00 C ATOM 1320 CE LYS A 104 19.655 -0.070 -9.990 1.00 0.00 C ATOM 1321 NZ LYS A 104 20.712 -0.931 -9.390 1.00 0.00 N ATOM 0 H LYS A 104 15.906 3.333 -8.789 1.00 0.00 H new ATOM 0 HA LYS A 104 18.415 3.038 -7.307 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.752 4.177 -10.074 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.371 4.051 -9.417 1.00 0.00 H new ATOM 0 HG2 LYS A 104 17.545 1.670 -9.944 1.00 0.00 H new ATOM 0 HG3 LYS A 104 18.771 2.239 -11.059 1.00 0.00 H new ATOM 0 HD2 LYS A 104 20.534 1.790 -9.310 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.292 1.162 -8.245 1.00 0.00 H new ATOM 0 HE2 LYS A 104 18.693 -0.577 -9.923 1.00 0.00 H new ATOM 0 HE3 LYS A 104 19.865 0.077 -11.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 20.742 -1.843 -9.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 21.635 -0.459 -9.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 20.499 -1.093 -8.385 1.00 0.00 H new ATOM 1335 N ASN A 105 16.773 5.831 -7.428 1.00 0.00 N ATOM 1336 CA ASN A 105 16.766 7.249 -7.003 1.00 0.00 C ATOM 1337 C ASN A 105 16.141 7.479 -5.611 1.00 0.00 C ATOM 1338 O ASN A 105 16.521 8.416 -4.914 1.00 0.00 O ATOM 1339 CB ASN A 105 16.084 8.076 -8.114 1.00 0.00 C ATOM 1340 CG ASN A 105 17.006 8.320 -9.297 1.00 0.00 C ATOM 1341 OD1 ASN A 105 16.940 7.684 -10.335 1.00 0.00 O ATOM 1342 ND2 ASN A 105 17.910 9.264 -9.180 1.00 0.00 N ATOM 0 H ASN A 105 15.857 5.486 -7.715 1.00 0.00 H new ATOM 0 HA ASN A 105 17.796 7.583 -6.875 1.00 0.00 H new ATOM 0 HB2 ASN A 105 15.189 7.555 -8.455 1.00 0.00 H new ATOM 0 HB3 ASN A 105 15.760 9.033 -7.705 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.547 9.459 -9.952 1.00 0.00 H new ATOM 0 HD22 ASN A 105 17.975 9.803 -8.317 1.00 0.00 H new ATOM 1349 N LEU A 106 15.226 6.619 -5.170 1.00 0.00 N ATOM 1350 CA LEU A 106 14.701 6.552 -3.806 1.00 0.00 C ATOM 1351 C LEU A 106 15.163 5.208 -3.213 1.00 0.00 C ATOM 1352 O LEU A 106 14.683 4.145 -3.612 1.00 0.00 O ATOM 1353 CB LEU A 106 13.169 6.746 -3.843 1.00 0.00 C ATOM 1354 CG LEU A 106 12.552 7.226 -2.514 1.00 0.00 C ATOM 1355 CD1 LEU A 106 11.047 7.414 -2.680 1.00 0.00 C ATOM 1356 CD2 LEU A 106 12.775 6.279 -1.334 1.00 0.00 C ATOM 0 H LEU A 106 14.810 5.917 -5.782 1.00 0.00 H new ATOM 0 HA LEU A 106 15.078 7.345 -3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 106 12.926 7.467 -4.623 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.703 5.802 -4.125 1.00 0.00 H new ATOM 0 HG LEU A 106 13.062 8.161 -2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.617 7.753 -1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 106 10.856 8.157 -3.454 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.591 6.466 -2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.308 6.694 -0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.331 5.309 -1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.844 6.158 -1.162 1.00 0.00 H new