USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 831 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 34 MET CE :methyl -107:sc= -2.71! (180deg=-1.94) USER MOD Set 1.2: A 58 ASN :FLIP amide:sc= -4.16 F(o=-9.5!,f=-6.9) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.538 F(o=-1.1,f=-0.54) USER MOD Single : A 13 GLN :FLIP amide:sc= -0.877! C(o=-1.4!,f=-0.88!) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -2.04! C(o=-2!,f=-2.2!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -167:sc= -1.61 (180deg=-1.63) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 8:sc= -2.4 USER MOD Single : A 37 THR OG1 : rot 16:sc= 0.0679 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 178:sc= -2.54 (180deg=-2.59) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 30:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 14:sc= 0.0627 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.0427 X(o=-0.043,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= -0.242 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl -150:sc= -0.0467 (180deg=-0.735) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.391 K(o=-0.39,f=-1.4!) USER MOD Single : A 102 SER OG : rot 54:sc= -4.2! USER MOD Single : A 107 MET CE :methyl -117:sc= -8.75! (180deg=-13.4!) USER MOD ----------------------------------------------------------------- ATOM 115 N PRO A 8 -1.121 -18.890 -5.940 1.00 0.00 N ATOM 116 CA PRO A 8 -0.449 -17.743 -5.352 1.00 0.00 C ATOM 117 C PRO A 8 -1.404 -16.558 -5.217 1.00 0.00 C ATOM 118 O PRO A 8 -0.995 -15.467 -4.822 1.00 0.00 O ATOM 119 CB PRO A 8 0.725 -17.458 -6.276 1.00 0.00 C ATOM 120 CG PRO A 8 0.400 -18.153 -7.589 1.00 0.00 C ATOM 121 CD PRO A 8 -0.750 -19.114 -7.335 1.00 0.00 C ATOM 0 HA PRO A 8 -0.102 -17.934 -4.336 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.855 -16.386 -6.423 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.656 -17.837 -5.853 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.126 -17.422 -8.350 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.272 -18.691 -7.962 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.587 -18.915 -8.004 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.447 -20.147 -7.503 1.00 0.00 H new ATOM 129 N GLN A 9 -2.662 -16.809 -5.552 1.00 0.00 N ATOM 130 CA GLN A 9 -3.680 -15.776 -5.473 1.00 0.00 C ATOM 131 C GLN A 9 -4.121 -15.577 -4.021 1.00 0.00 C ATOM 132 O GLN A 9 -4.383 -14.452 -3.597 1.00 0.00 O ATOM 133 CB GLN A 9 -4.875 -16.114 -6.368 1.00 0.00 C ATOM 134 CG GLN A 9 -5.108 -15.015 -7.408 1.00 0.00 C ATOM 135 CD GLN A 9 -3.846 -14.770 -8.237 1.00 0.00 C ATOM 136 OE1 GLN A 9 -3.144 -13.706 -7.852 1.00 0.00 O flip ATOM 137 NE2 GLN A 9 -3.530 -15.495 -9.165 1.00 0.00 N flip ATOM 0 H GLN A 9 -2.999 -17.714 -5.879 1.00 0.00 H new ATOM 0 HA GLN A 9 -3.251 -14.841 -5.834 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -4.700 -17.065 -6.871 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -5.769 -16.237 -5.757 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -5.930 -15.299 -8.065 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -5.404 -14.093 -6.908 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -4.113 -16.296 -9.408 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.682 -15.301 -9.698 1.00 0.00 H new ATOM 146 N ARG A 10 -4.192 -16.685 -3.299 1.00 0.00 N ATOM 147 CA ARG A 10 -4.597 -16.647 -1.905 1.00 0.00 C ATOM 148 C ARG A 10 -3.656 -15.744 -1.104 1.00 0.00 C ATOM 149 O ARG A 10 -4.083 -14.729 -0.553 1.00 0.00 O ATOM 150 CB ARG A 10 -4.594 -18.048 -1.291 1.00 0.00 C ATOM 151 CG ARG A 10 -5.316 -18.057 0.058 1.00 0.00 C ATOM 152 CD ARG A 10 -4.381 -17.610 1.183 1.00 0.00 C ATOM 153 NE ARG A 10 -4.420 -18.588 2.293 1.00 0.00 N ATOM 154 CZ ARG A 10 -3.488 -18.665 3.266 1.00 0.00 C ATOM 155 NH1 ARG A 10 -2.435 -17.820 3.277 1.00 0.00 N ATOM 156 NH2 ARG A 10 -3.622 -19.579 4.210 1.00 0.00 N ATOM 0 H ARG A 10 -3.975 -17.616 -3.654 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.611 -16.249 -1.865 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.079 -18.748 -1.971 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.567 -18.389 -1.160 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.182 -17.396 0.016 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.690 -19.059 0.268 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.363 -17.517 0.805 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.678 -16.626 1.544 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.200 -19.245 2.325 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.339 -17.116 2.546 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.736 -17.886 4.017 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.421 -20.213 4.196 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.927 -19.651 4.953 1.00 0.00 H new ATOM 169 N VAL A 11 -2.394 -16.146 -1.064 1.00 0.00 N ATOM 170 CA VAL A 11 -1.390 -15.385 -0.340 1.00 0.00 C ATOM 171 C VAL A 11 -1.373 -13.946 -0.859 1.00 0.00 C ATOM 172 O VAL A 11 -1.306 -13.000 -0.074 1.00 0.00 O ATOM 173 CB VAL A 11 -0.030 -16.076 -0.450 1.00 0.00 C ATOM 174 CG1 VAL A 11 1.109 -15.056 -0.396 1.00 0.00 C ATOM 175 CG2 VAL A 11 0.136 -17.139 0.638 1.00 0.00 C ATOM 0 H VAL A 11 -2.044 -16.988 -1.521 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.634 -15.344 0.721 1.00 0.00 H new ATOM 0 HB VAL A 11 0.013 -16.577 -1.417 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.065 -15.574 -0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.007 -14.352 -1.222 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.068 -14.514 0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.112 -17.614 0.536 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.061 -16.670 1.619 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.647 -17.891 0.535 1.00 0.00 H new ATOM 185 N ALA A 12 -1.437 -13.825 -2.176 1.00 0.00 N ATOM 186 CA ALA A 12 -1.430 -12.516 -2.809 1.00 0.00 C ATOM 187 C ALA A 12 -2.605 -11.693 -2.280 1.00 0.00 C ATOM 188 O ALA A 12 -2.497 -10.476 -2.129 1.00 0.00 O ATOM 189 CB ALA A 12 -1.473 -12.685 -4.329 1.00 0.00 C ATOM 0 H ALA A 12 -1.494 -14.611 -2.823 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.515 -11.976 -2.567 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.468 -11.704 -4.804 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.602 -13.252 -4.657 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.380 -13.220 -4.610 1.00 0.00 H new ATOM 195 N GLN A 13 -3.701 -12.388 -2.012 1.00 0.00 N ATOM 196 CA GLN A 13 -4.895 -11.735 -1.503 1.00 0.00 C ATOM 197 C GLN A 13 -4.728 -11.407 -0.018 1.00 0.00 C ATOM 198 O GLN A 13 -4.580 -10.243 0.352 1.00 0.00 O ATOM 199 CB GLN A 13 -6.135 -12.601 -1.737 1.00 0.00 C ATOM 200 CG GLN A 13 -6.647 -12.449 -3.170 1.00 0.00 C ATOM 201 CD GLN A 13 -6.787 -10.973 -3.549 1.00 0.00 C ATOM 202 OE1 GLN A 13 -5.729 -10.477 -4.187 1.00 0.00 O flip ATOM 203 NE2 GLN A 13 -7.786 -10.328 -3.279 1.00 0.00 N flip ATOM 0 H GLN A 13 -3.787 -13.397 -2.138 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.036 -10.801 -2.048 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.895 -13.646 -1.542 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.919 -12.317 -1.035 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.961 -12.942 -3.859 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.611 -12.947 -3.270 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.562 -10.771 -2.787 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -7.846 -9.345 -3.545 1.00 0.00 H new ATOM 212 N GLU A 14 -4.757 -12.453 0.794 1.00 0.00 N ATOM 213 CA GLU A 14 -4.612 -12.291 2.230 1.00 0.00 C ATOM 214 C GLU A 14 -3.561 -11.222 2.540 1.00 0.00 C ATOM 215 O GLU A 14 -3.662 -10.521 3.545 1.00 0.00 O ATOM 216 CB GLU A 14 -4.255 -13.620 2.899 1.00 0.00 C ATOM 217 CG GLU A 14 -5.414 -14.131 3.756 1.00 0.00 C ATOM 218 CD GLU A 14 -4.901 -14.772 5.047 1.00 0.00 C ATOM 219 OE1 GLU A 14 -4.036 -15.660 4.997 1.00 0.00 O ATOM 220 OE2 GLU A 14 -5.432 -14.317 6.131 1.00 0.00 O ATOM 0 H GLU A 14 -4.879 -13.417 0.484 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.568 -11.962 2.637 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.007 -14.360 2.138 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.368 -13.492 3.519 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.084 -13.306 3.997 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.996 -14.859 3.191 1.00 0.00 H new ATOM 228 N MET A 15 -2.578 -11.132 1.657 1.00 0.00 N ATOM 229 CA MET A 15 -1.510 -10.161 1.822 1.00 0.00 C ATOM 230 C MET A 15 -1.950 -8.775 1.344 1.00 0.00 C ATOM 231 O MET A 15 -1.699 -7.775 2.013 1.00 0.00 O ATOM 232 CB MET A 15 -0.283 -10.609 1.026 1.00 0.00 C ATOM 233 CG MET A 15 0.468 -11.724 1.759 1.00 0.00 C ATOM 234 SD MET A 15 2.037 -12.028 0.962 1.00 0.00 S ATOM 235 CE MET A 15 3.059 -10.850 1.832 1.00 0.00 C ATOM 0 H MET A 15 -2.499 -11.716 0.824 1.00 0.00 H new ATOM 0 HA MET A 15 -1.263 -10.099 2.882 1.00 0.00 H new ATOM 0 HB2 MET A 15 -0.592 -10.960 0.041 1.00 0.00 H new ATOM 0 HB3 MET A 15 0.382 -9.760 0.868 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.628 -11.443 2.800 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.130 -12.635 1.763 1.00 0.00 H new ATOM 0 HE1 MET A 15 4.080 -10.907 1.456 1.00 0.00 H new ATOM 0 HE2 MET A 15 2.670 -9.844 1.674 1.00 0.00 H new ATOM 0 HE3 MET A 15 3.052 -11.079 2.898 1.00 0.00 H new ATOM 245 N GLN A 16 -2.599 -8.761 0.190 1.00 0.00 N ATOM 246 CA GLN A 16 -3.076 -7.515 -0.387 1.00 0.00 C ATOM 247 C GLN A 16 -4.119 -6.873 0.531 1.00 0.00 C ATOM 248 O GLN A 16 -4.158 -5.650 0.668 1.00 0.00 O ATOM 249 CB GLN A 16 -3.644 -7.741 -1.790 1.00 0.00 C ATOM 250 CG GLN A 16 -4.022 -6.414 -2.449 1.00 0.00 C ATOM 251 CD GLN A 16 -5.539 -6.279 -2.582 1.00 0.00 C ATOM 252 OE1 GLN A 16 -6.308 -7.029 -2.004 1.00 0.00 O ATOM 253 NE2 GLN A 16 -5.927 -5.285 -3.376 1.00 0.00 N ATOM 0 H GLN A 16 -2.806 -9.593 -0.362 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.231 -6.832 -0.480 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.908 -8.260 -2.405 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.522 -8.385 -1.731 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.630 -5.586 -1.858 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.560 -6.349 -3.434 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.231 -4.694 -3.830 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.921 -5.114 -3.531 1.00 0.00 H new ATOM 262 N LYS A 17 -4.937 -7.724 1.132 1.00 0.00 N ATOM 263 CA LYS A 17 -5.977 -7.253 2.031 1.00 0.00 C ATOM 264 C LYS A 17 -5.354 -6.903 3.385 1.00 0.00 C ATOM 265 O LYS A 17 -5.755 -5.933 4.024 1.00 0.00 O ATOM 266 CB LYS A 17 -7.111 -8.276 2.120 1.00 0.00 C ATOM 267 CG LYS A 17 -6.606 -9.605 2.685 1.00 0.00 C ATOM 268 CD LYS A 17 -7.711 -10.327 3.460 1.00 0.00 C ATOM 269 CE LYS A 17 -7.309 -10.538 4.921 1.00 0.00 C ATOM 270 NZ LYS A 17 -8.455 -11.049 5.706 1.00 0.00 N ATOM 0 H LYS A 17 -4.901 -8.737 1.014 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.432 -6.341 1.644 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.908 -7.887 2.753 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.540 -8.436 1.131 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.253 -10.239 1.872 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.755 -9.425 3.341 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.632 -9.746 3.413 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.917 -11.290 2.993 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.479 -11.242 4.978 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.959 -9.598 5.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.165 -11.186 6.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.236 -10.363 5.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.771 -11.957 5.309 1.00 0.00 H new ATOM 283 N GLU A 18 -4.385 -7.716 3.781 1.00 0.00 N ATOM 284 CA GLU A 18 -3.704 -7.505 5.048 1.00 0.00 C ATOM 285 C GLU A 18 -2.891 -6.208 5.003 1.00 0.00 C ATOM 286 O GLU A 18 -3.044 -5.348 5.869 1.00 0.00 O ATOM 287 CB GLU A 18 -2.813 -8.699 5.396 1.00 0.00 C ATOM 288 CG GLU A 18 -2.036 -8.444 6.688 1.00 0.00 C ATOM 289 CD GLU A 18 -2.822 -8.931 7.907 1.00 0.00 C ATOM 290 OE1 GLU A 18 -3.957 -8.484 8.131 1.00 0.00 O ATOM 291 OE2 GLU A 18 -2.215 -9.805 8.635 1.00 0.00 O ATOM 0 H GLU A 18 -4.056 -8.521 3.248 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.455 -7.413 5.832 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.425 -9.594 5.506 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.116 -8.888 4.579 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.074 -8.954 6.644 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.828 -7.379 6.787 1.00 0.00 H new ATOM 299 N ILE A 19 -2.047 -6.112 3.988 1.00 0.00 N ATOM 300 CA ILE A 19 -1.210 -4.936 3.820 1.00 0.00 C ATOM 301 C ILE A 19 -2.097 -3.717 3.559 1.00 0.00 C ATOM 302 O ILE A 19 -1.857 -2.641 4.105 1.00 0.00 O ATOM 303 CB ILE A 19 -0.160 -5.175 2.734 1.00 0.00 C ATOM 304 CG1 ILE A 19 -0.753 -4.958 1.341 1.00 0.00 C ATOM 305 CG2 ILE A 19 0.472 -6.561 2.878 1.00 0.00 C ATOM 306 CD1 ILE A 19 0.213 -5.433 0.253 1.00 0.00 C ATOM 0 H ILE A 19 -1.924 -6.829 3.273 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.650 -4.735 4.733 1.00 0.00 H new ATOM 0 HB ILE A 19 0.637 -4.443 2.862 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.696 -5.497 1.255 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.976 -3.901 1.198 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.215 -6.705 2.094 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.953 -6.642 3.853 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.301 -7.324 2.790 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.233 -5.267 -0.728 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.146 -4.875 0.326 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.415 -6.496 0.385 1.00 0.00 H new ATOM 318 N ALA A 20 -3.105 -3.927 2.725 1.00 0.00 N ATOM 319 CA ALA A 20 -4.030 -2.858 2.386 1.00 0.00 C ATOM 320 C ALA A 20 -4.659 -2.307 3.666 1.00 0.00 C ATOM 321 O ALA A 20 -4.875 -1.102 3.787 1.00 0.00 O ATOM 322 CB ALA A 20 -5.078 -3.384 1.401 1.00 0.00 C ATOM 0 H ALA A 20 -3.302 -4.821 2.274 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.505 -2.037 1.898 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.772 -2.583 1.146 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.583 -3.736 0.496 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.626 -4.207 1.858 1.00 0.00 H new ATOM 328 N LEU A 21 -4.936 -3.215 4.590 1.00 0.00 N ATOM 329 CA LEU A 21 -5.536 -2.835 5.858 1.00 0.00 C ATOM 330 C LEU A 21 -4.552 -1.962 6.640 1.00 0.00 C ATOM 331 O LEU A 21 -4.867 -0.822 6.984 1.00 0.00 O ATOM 332 CB LEU A 21 -5.999 -4.075 6.624 1.00 0.00 C ATOM 333 CG LEU A 21 -6.362 -3.859 8.095 1.00 0.00 C ATOM 334 CD1 LEU A 21 -7.819 -4.240 8.362 1.00 0.00 C ATOM 335 CD2 LEU A 21 -5.395 -4.608 9.014 1.00 0.00 C ATOM 0 H LEU A 21 -4.756 -4.214 4.486 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.432 -2.238 5.692 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.868 -4.490 6.113 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.210 -4.825 6.572 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.261 -2.797 8.319 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.051 -4.077 9.415 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.475 -3.624 7.746 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.971 -5.291 8.115 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.675 -4.438 10.053 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.439 -5.675 8.796 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.381 -4.245 8.848 1.00 0.00 H new ATOM 347 N ILE A 22 -3.383 -2.527 6.898 1.00 0.00 N ATOM 348 CA ILE A 22 -2.352 -1.814 7.633 1.00 0.00 C ATOM 349 C ILE A 22 -1.987 -0.534 6.879 1.00 0.00 C ATOM 350 O ILE A 22 -1.477 0.415 7.470 1.00 0.00 O ATOM 351 CB ILE A 22 -1.158 -2.729 7.907 1.00 0.00 C ATOM 352 CG1 ILE A 22 -1.593 -3.990 8.658 1.00 0.00 C ATOM 353 CG2 ILE A 22 -0.048 -1.978 8.644 1.00 0.00 C ATOM 354 CD1 ILE A 22 -0.469 -5.026 8.687 1.00 0.00 C ATOM 0 H ILE A 22 -3.126 -3.471 6.611 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.723 -1.512 8.613 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.748 -3.050 6.949 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.879 -3.730 9.677 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.474 -4.417 8.179 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.789 -2.652 8.826 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.289 -1.138 8.036 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.429 -1.608 9.596 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.804 -5.912 9.226 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.202 -5.302 7.667 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.402 -4.604 9.188 1.00 0.00 H new ATOM 366 N LEU A 23 -2.262 -0.550 5.583 1.00 0.00 N ATOM 367 CA LEU A 23 -1.968 0.597 4.741 1.00 0.00 C ATOM 368 C LEU A 23 -3.145 1.574 4.789 1.00 0.00 C ATOM 369 O LEU A 23 -3.006 2.737 4.411 1.00 0.00 O ATOM 370 CB LEU A 23 -1.604 0.143 3.327 1.00 0.00 C ATOM 371 CG LEU A 23 -0.850 1.162 2.469 1.00 0.00 C ATOM 372 CD1 LEU A 23 0.388 1.685 3.200 1.00 0.00 C ATOM 373 CD2 LEU A 23 -0.501 0.575 1.100 1.00 0.00 C ATOM 0 H LEU A 23 -2.685 -1.340 5.095 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.094 1.131 5.115 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.997 -0.760 3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.522 -0.132 2.807 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.507 2.015 2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.905 2.407 2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.085 2.167 4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.057 0.854 3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.034 1.320 0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.129 -0.305 1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.417 0.292 0.581 1.00 0.00 H new ATOM 385 N GLN A 24 -4.275 1.068 5.258 1.00 0.00 N ATOM 386 CA GLN A 24 -5.474 1.881 5.362 1.00 0.00 C ATOM 387 C GLN A 24 -5.819 2.135 6.830 1.00 0.00 C ATOM 388 O GLN A 24 -6.723 2.913 7.134 1.00 0.00 O ATOM 389 CB GLN A 24 -6.647 1.225 4.629 1.00 0.00 C ATOM 390 CG GLN A 24 -6.856 1.859 3.252 1.00 0.00 C ATOM 391 CD GLN A 24 -6.847 0.796 2.152 1.00 0.00 C ATOM 392 OE1 GLN A 24 -5.839 0.527 1.520 1.00 0.00 O ATOM 393 NE2 GLN A 24 -8.023 0.206 1.960 1.00 0.00 N ATOM 0 H GLN A 24 -4.386 0.103 5.571 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.280 2.841 4.884 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.459 0.157 4.517 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.555 1.328 5.223 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.804 2.397 3.235 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.071 2.591 3.062 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.828 0.478 2.524 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.120 -0.519 1.249 1.00 0.00 H new ATOM 402 N ARG A 25 -5.080 1.465 7.702 1.00 0.00 N ATOM 403 CA ARG A 25 -5.296 1.608 9.132 1.00 0.00 C ATOM 404 C ARG A 25 -4.084 2.274 9.788 1.00 0.00 C ATOM 405 O ARG A 25 -4.218 3.301 10.450 1.00 0.00 O ATOM 406 CB ARG A 25 -5.542 0.250 9.792 1.00 0.00 C ATOM 407 CG ARG A 25 -6.650 0.344 10.843 1.00 0.00 C ATOM 408 CD ARG A 25 -6.211 -0.302 12.159 1.00 0.00 C ATOM 409 NE ARG A 25 -5.361 0.636 12.924 1.00 0.00 N ATOM 410 CZ ARG A 25 -5.834 1.694 13.618 1.00 0.00 C ATOM 411 NH1 ARG A 25 -7.158 1.954 13.649 1.00 0.00 N ATOM 412 NH2 ARG A 25 -4.983 2.466 14.267 1.00 0.00 N ATOM 0 H ARG A 25 -4.331 0.822 7.446 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.179 2.232 9.272 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.817 -0.483 9.033 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.622 -0.104 10.258 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.906 1.389 11.014 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.550 -0.149 10.474 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.086 -0.576 12.749 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.662 -1.221 11.957 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.354 0.474 12.928 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.808 1.350 13.146 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.508 2.755 14.175 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.984 2.260 14.240 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.324 3.269 14.796 1.00 0.00 H new ATOM 425 N GLU A 26 -2.929 1.659 9.582 1.00 0.00 N ATOM 426 CA GLU A 26 -1.694 2.178 10.144 1.00 0.00 C ATOM 427 C GLU A 26 -1.290 3.474 9.437 1.00 0.00 C ATOM 428 O GLU A 26 -0.478 4.240 9.951 1.00 0.00 O ATOM 429 CB GLU A 26 -0.574 1.139 10.062 1.00 0.00 C ATOM 430 CG GLU A 26 0.464 1.531 9.008 1.00 0.00 C ATOM 431 CD GLU A 26 1.439 2.574 9.560 1.00 0.00 C ATOM 432 OE1 GLU A 26 2.287 3.086 8.815 1.00 0.00 O ATOM 433 OE2 GLU A 26 1.292 2.849 10.811 1.00 0.00 O ATOM 0 H GLU A 26 -2.822 0.806 9.033 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.864 2.399 11.198 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.091 1.043 11.034 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.995 0.164 9.817 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.015 0.646 8.688 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.039 1.929 8.127 1.00 0.00 H new ATOM 441 N ILE A 27 -1.879 3.679 8.267 1.00 0.00 N ATOM 442 CA ILE A 27 -1.592 4.868 7.484 1.00 0.00 C ATOM 443 C ILE A 27 -2.606 5.961 7.832 1.00 0.00 C ATOM 444 O ILE A 27 -3.515 5.736 8.629 1.00 0.00 O ATOM 445 CB ILE A 27 -1.542 4.529 5.992 1.00 0.00 C ATOM 446 CG1 ILE A 27 -0.167 4.848 5.403 1.00 0.00 C ATOM 447 CG2 ILE A 27 -2.669 5.231 5.232 1.00 0.00 C ATOM 448 CD1 ILE A 27 -0.255 5.058 3.890 1.00 0.00 C ATOM 0 H ILE A 27 -2.553 3.041 7.843 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.605 5.257 7.732 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.699 3.456 5.880 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.236 5.744 5.875 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.524 4.034 5.621 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.610 4.973 4.175 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.631 4.911 5.631 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.569 6.310 5.348 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.736 5.283 3.496 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.636 4.152 3.418 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.928 5.888 3.676 1.00 0.00 H new ATOM 460 N LYS A 28 -2.414 7.118 7.218 1.00 0.00 N ATOM 461 CA LYS A 28 -3.300 8.245 7.454 1.00 0.00 C ATOM 462 C LYS A 28 -4.289 8.362 6.293 1.00 0.00 C ATOM 463 O LYS A 28 -4.203 9.291 5.490 1.00 0.00 O ATOM 464 CB LYS A 28 -2.491 9.520 7.704 1.00 0.00 C ATOM 465 CG LYS A 28 -1.535 9.799 6.542 1.00 0.00 C ATOM 466 CD LYS A 28 -0.077 9.704 6.998 1.00 0.00 C ATOM 467 CE LYS A 28 0.404 8.252 6.996 1.00 0.00 C ATOM 468 NZ LYS A 28 1.859 8.188 7.264 1.00 0.00 N ATOM 0 H LYS A 28 -1.658 7.300 6.558 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.887 8.085 8.359 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.168 10.365 7.834 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.924 9.420 8.630 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.716 9.086 5.738 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.729 10.792 6.137 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.554 10.301 6.339 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.023 10.123 7.999 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.137 7.682 7.752 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.185 7.791 6.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.211 7.234 7.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.352 8.884 6.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.037 8.400 8.266 1.00 0.00 H new ATOM 481 N ASP A 29 -5.206 7.407 6.239 1.00 0.00 N ATOM 482 CA ASP A 29 -6.210 7.392 5.189 1.00 0.00 C ATOM 483 C ASP A 29 -7.387 8.277 5.602 1.00 0.00 C ATOM 484 O ASP A 29 -7.814 9.144 4.840 1.00 0.00 O ATOM 485 CB ASP A 29 -6.742 5.976 4.958 1.00 0.00 C ATOM 486 CG ASP A 29 -8.264 5.870 4.835 1.00 0.00 C ATOM 487 OD1 ASP A 29 -9.001 6.107 5.803 1.00 0.00 O ATOM 488 OD2 ASP A 29 -8.695 5.521 3.670 1.00 0.00 O ATOM 0 H ASP A 29 -5.275 6.638 6.906 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.746 7.758 4.273 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.290 5.578 4.049 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.414 5.342 5.781 1.00 0.00 H new ATOM 494 N PRO A 30 -7.891 8.024 6.839 1.00 0.00 N ATOM 495 CA PRO A 30 -9.011 8.789 7.362 1.00 0.00 C ATOM 496 C PRO A 30 -8.566 10.188 7.793 1.00 0.00 C ATOM 497 O PRO A 30 -9.335 11.144 7.702 1.00 0.00 O ATOM 498 CB PRO A 30 -9.552 7.957 8.513 1.00 0.00 C ATOM 499 CG PRO A 30 -8.440 6.992 8.889 1.00 0.00 C ATOM 500 CD PRO A 30 -7.412 7.006 7.768 1.00 0.00 C ATOM 0 HA PRO A 30 -9.786 8.964 6.616 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -9.823 8.589 9.359 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.452 7.419 8.216 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.980 7.288 9.832 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.838 5.987 9.030 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.419 7.250 8.145 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.340 6.032 7.285 1.00 0.00 H new ATOM 508 N ARG A 31 -7.326 10.264 8.251 1.00 0.00 N ATOM 509 CA ARG A 31 -6.768 11.530 8.697 1.00 0.00 C ATOM 510 C ARG A 31 -6.574 12.472 7.508 1.00 0.00 C ATOM 511 O ARG A 31 -6.500 13.688 7.679 1.00 0.00 O ATOM 512 CB ARG A 31 -5.425 11.324 9.400 1.00 0.00 C ATOM 513 CG ARG A 31 -4.640 12.635 9.477 1.00 0.00 C ATOM 514 CD ARG A 31 -3.734 12.803 8.255 1.00 0.00 C ATOM 515 NE ARG A 31 -3.470 14.241 8.015 1.00 0.00 N ATOM 516 CZ ARG A 31 -2.387 14.712 7.364 1.00 0.00 C ATOM 517 NH1 ARG A 31 -1.454 13.864 6.882 1.00 0.00 N ATOM 518 NH2 ARG A 31 -2.252 16.016 7.206 1.00 0.00 N ATOM 0 H ARG A 31 -6.691 9.469 8.323 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.471 11.971 9.404 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.592 10.936 10.405 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.840 10.577 8.863 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.332 13.475 9.539 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.038 12.650 10.386 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.794 12.274 8.413 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.206 12.360 7.378 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.150 14.917 8.364 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.565 12.858 7.009 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.638 14.229 6.391 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.961 16.650 7.574 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.439 16.389 6.716 1.00 0.00 H new ATOM 531 N LEU A 32 -6.498 11.875 6.327 1.00 0.00 N ATOM 532 CA LEU A 32 -6.313 12.645 5.109 1.00 0.00 C ATOM 533 C LEU A 32 -7.651 13.263 4.694 1.00 0.00 C ATOM 534 O LEU A 32 -7.682 14.297 4.028 1.00 0.00 O ATOM 535 CB LEU A 32 -5.670 11.783 4.021 1.00 0.00 C ATOM 536 CG LEU A 32 -4.258 12.187 3.592 1.00 0.00 C ATOM 537 CD1 LEU A 32 -3.304 12.196 4.789 1.00 0.00 C ATOM 538 CD2 LEU A 32 -3.751 11.290 2.462 1.00 0.00 C ATOM 0 H LEU A 32 -6.561 10.866 6.188 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.620 13.468 5.281 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.640 10.752 4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.315 11.802 3.142 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.296 13.204 3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.307 12.486 4.458 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.661 12.908 5.533 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.264 11.200 5.230 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.745 11.598 2.176 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.730 10.254 2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.416 11.377 1.602 1.00 0.00 H new ATOM 550 N GLY A 33 -8.724 12.603 5.106 1.00 0.00 N ATOM 551 CA GLY A 33 -10.060 13.074 4.785 1.00 0.00 C ATOM 552 C GLY A 33 -10.625 12.336 3.569 1.00 0.00 C ATOM 553 O GLY A 33 -11.646 12.738 3.014 1.00 0.00 O ATOM 0 H GLY A 33 -8.695 11.746 5.659 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.717 12.926 5.642 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.033 14.145 4.585 1.00 0.00 H new ATOM 557 N MET A 34 -9.933 11.271 3.190 1.00 0.00 N ATOM 558 CA MET A 34 -10.354 10.474 2.049 1.00 0.00 C ATOM 559 C MET A 34 -10.433 8.991 2.417 1.00 0.00 C ATOM 560 O MET A 34 -10.415 8.638 3.595 1.00 0.00 O ATOM 561 CB MET A 34 -9.359 10.663 0.902 1.00 0.00 C ATOM 562 CG MET A 34 -9.038 12.144 0.694 1.00 0.00 C ATOM 563 SD MET A 34 -7.417 12.321 -0.033 1.00 0.00 S ATOM 564 CE MET A 34 -6.847 13.776 0.831 1.00 0.00 C ATOM 0 H MET A 34 -9.085 10.942 3.652 1.00 0.00 H new ATOM 0 HA MET A 34 -11.345 10.806 1.741 1.00 0.00 H new ATOM 0 HB2 MET A 34 -8.442 10.115 1.117 1.00 0.00 H new ATOM 0 HB3 MET A 34 -9.772 10.244 -0.016 1.00 0.00 H new ATOM 0 HG2 MET A 34 -9.788 12.600 0.047 1.00 0.00 H new ATOM 0 HG3 MET A 34 -9.077 12.671 1.648 1.00 0.00 H new ATOM 0 HE1 MET A 34 -6.850 14.628 0.151 1.00 0.00 H new ATOM 0 HE2 MET A 34 -7.508 13.982 1.673 1.00 0.00 H new ATOM 0 HE3 MET A 34 -5.834 13.608 1.198 1.00 0.00 H new ATOM 574 N MET A 35 -10.519 8.163 1.386 1.00 0.00 N ATOM 575 CA MET A 35 -10.601 6.726 1.586 1.00 0.00 C ATOM 576 C MET A 35 -9.688 5.983 0.608 1.00 0.00 C ATOM 577 O MET A 35 -10.153 5.440 -0.391 1.00 0.00 O ATOM 578 CB MET A 35 -12.046 6.265 1.386 1.00 0.00 C ATOM 579 CG MET A 35 -12.520 5.414 2.565 1.00 0.00 C ATOM 580 SD MET A 35 -14.101 4.676 2.190 1.00 0.00 S ATOM 581 CE MET A 35 -13.593 2.989 1.898 1.00 0.00 C ATOM 0 H MET A 35 -10.534 8.460 0.410 1.00 0.00 H new ATOM 0 HA MET A 35 -10.275 6.500 2.601 1.00 0.00 H new ATOM 0 HB2 MET A 35 -12.696 7.133 1.275 1.00 0.00 H new ATOM 0 HB3 MET A 35 -12.123 5.689 0.464 1.00 0.00 H new ATOM 0 HG2 MET A 35 -11.788 4.635 2.779 1.00 0.00 H new ATOM 0 HG3 MET A 35 -12.601 6.031 3.460 1.00 0.00 H new ATOM 0 HE1 MET A 35 -14.465 2.384 1.649 1.00 0.00 H new ATOM 0 HE2 MET A 35 -12.883 2.961 1.071 1.00 0.00 H new ATOM 0 HE3 MET A 35 -13.120 2.591 2.796 1.00 0.00 H new ATOM 591 N THR A 36 -8.402 5.985 0.932 1.00 0.00 N ATOM 592 CA THR A 36 -7.419 5.318 0.096 1.00 0.00 C ATOM 593 C THR A 36 -7.945 3.956 -0.362 1.00 0.00 C ATOM 594 O THR A 36 -8.801 3.364 0.293 1.00 0.00 O ATOM 595 CB THR A 36 -6.110 5.231 0.882 1.00 0.00 C ATOM 596 OG1 THR A 36 -6.479 4.592 2.101 1.00 0.00 O ATOM 597 CG2 THR A 36 -5.599 6.605 1.324 1.00 0.00 C ATOM 0 H THR A 36 -8.019 6.438 1.762 1.00 0.00 H new ATOM 0 HA THR A 36 -7.229 5.882 -0.817 1.00 0.00 H new ATOM 0 HB THR A 36 -5.352 4.740 0.271 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.407 4.283 2.040 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.668 6.486 1.878 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.422 7.227 0.447 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.343 7.081 1.963 1.00 0.00 H new ATOM 605 N THR A 37 -7.409 3.497 -1.484 1.00 0.00 N ATOM 606 CA THR A 37 -7.813 2.215 -2.036 1.00 0.00 C ATOM 607 C THR A 37 -6.591 1.440 -2.532 1.00 0.00 C ATOM 608 O THR A 37 -5.530 2.022 -2.755 1.00 0.00 O ATOM 609 CB THR A 37 -8.850 2.478 -3.131 1.00 0.00 C ATOM 610 OG1 THR A 37 -10.091 2.515 -2.431 1.00 0.00 O ATOM 611 CG2 THR A 37 -8.998 1.299 -4.094 1.00 0.00 C ATOM 0 H THR A 37 -6.699 3.990 -2.025 1.00 0.00 H new ATOM 0 HA THR A 37 -8.273 1.584 -1.276 1.00 0.00 H new ATOM 0 HB THR A 37 -8.568 3.369 -3.692 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.923 2.629 -1.472 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.746 1.539 -4.850 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.042 1.103 -4.579 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.313 0.414 -3.540 1.00 0.00 H new ATOM 619 N VAL A 38 -6.781 0.138 -2.690 1.00 0.00 N ATOM 620 CA VAL A 38 -5.707 -0.723 -3.155 1.00 0.00 C ATOM 621 C VAL A 38 -6.147 -1.432 -4.437 1.00 0.00 C ATOM 622 O VAL A 38 -6.438 -2.627 -4.421 1.00 0.00 O ATOM 623 CB VAL A 38 -5.298 -1.693 -2.045 1.00 0.00 C ATOM 624 CG1 VAL A 38 -6.505 -2.483 -1.534 1.00 0.00 C ATOM 625 CG2 VAL A 38 -4.190 -2.636 -2.522 1.00 0.00 C ATOM 0 H VAL A 38 -7.662 -0.341 -2.504 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.822 -0.135 -3.397 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.906 -1.105 -1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.186 -3.165 -0.746 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.250 -1.793 -1.138 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.940 -3.054 -2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.918 -3.315 -1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.545 -3.212 -3.376 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.317 -2.053 -2.816 1.00 0.00 H new ATOM 635 N SER A 39 -6.180 -0.666 -5.517 1.00 0.00 N ATOM 636 CA SER A 39 -6.579 -1.205 -6.806 1.00 0.00 C ATOM 637 C SER A 39 -5.925 -2.570 -7.027 1.00 0.00 C ATOM 638 O SER A 39 -6.597 -3.533 -7.393 1.00 0.00 O ATOM 639 CB SER A 39 -6.209 -0.249 -7.942 1.00 0.00 C ATOM 640 OG SER A 39 -6.907 -0.556 -9.146 1.00 0.00 O ATOM 0 H SER A 39 -5.937 0.325 -5.526 1.00 0.00 H new ATOM 0 HA SER A 39 -7.663 -1.324 -6.806 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.435 0.774 -7.643 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.135 -0.299 -8.123 1.00 0.00 H new ATOM 0 HG SER A 39 -6.645 0.077 -9.847 1.00 0.00 H new ATOM 646 N GLY A 40 -4.620 -2.611 -6.794 1.00 0.00 N ATOM 647 CA GLY A 40 -3.868 -3.843 -6.963 1.00 0.00 C ATOM 648 C GLY A 40 -2.606 -3.836 -6.100 1.00 0.00 C ATOM 649 O GLY A 40 -2.264 -2.817 -5.502 1.00 0.00 O ATOM 0 H GLY A 40 -4.065 -1.811 -6.490 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.493 -4.695 -6.694 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.596 -3.966 -8.011 1.00 0.00 H new ATOM 653 N VAL A 41 -1.949 -4.987 -6.059 1.00 0.00 N ATOM 654 CA VAL A 41 -0.733 -5.127 -5.278 1.00 0.00 C ATOM 655 C VAL A 41 0.138 -6.227 -5.889 1.00 0.00 C ATOM 656 O VAL A 41 -0.342 -7.329 -6.150 1.00 0.00 O ATOM 657 CB VAL A 41 -1.081 -5.387 -3.810 1.00 0.00 C ATOM 658 CG1 VAL A 41 0.186 -5.500 -2.959 1.00 0.00 C ATOM 659 CG2 VAL A 41 -2.011 -4.301 -3.267 1.00 0.00 C ATOM 0 H VAL A 41 -2.237 -5.831 -6.555 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.155 -4.203 -5.303 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.609 -6.339 -3.754 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.089 -5.685 -1.920 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.798 -6.325 -3.325 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.753 -4.571 -3.025 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.243 -4.509 -2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.521 -3.331 -3.343 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.933 -4.288 -3.848 1.00 0.00 H new ATOM 669 N GLU A 42 1.400 -5.888 -6.101 1.00 0.00 N ATOM 670 CA GLU A 42 2.342 -6.833 -6.678 1.00 0.00 C ATOM 671 C GLU A 42 3.416 -7.205 -5.654 1.00 0.00 C ATOM 672 O GLU A 42 4.253 -6.376 -5.299 1.00 0.00 O ATOM 673 CB GLU A 42 2.971 -6.271 -7.953 1.00 0.00 C ATOM 674 CG GLU A 42 1.903 -5.978 -9.010 1.00 0.00 C ATOM 675 CD GLU A 42 1.583 -7.233 -9.826 1.00 0.00 C ATOM 676 OE1 GLU A 42 0.811 -8.089 -9.370 1.00 0.00 O ATOM 677 OE2 GLU A 42 2.166 -7.299 -10.975 1.00 0.00 O ATOM 0 H GLU A 42 1.793 -4.972 -5.884 1.00 0.00 H new ATOM 0 HA GLU A 42 1.798 -7.738 -6.949 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.518 -5.357 -7.720 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.695 -6.983 -8.350 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.997 -5.613 -8.526 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.250 -5.186 -9.674 1.00 0.00 H new ATOM 685 N MET A 43 3.358 -8.451 -5.206 1.00 0.00 N ATOM 686 CA MET A 43 4.314 -8.941 -4.230 1.00 0.00 C ATOM 687 C MET A 43 5.260 -9.967 -4.857 1.00 0.00 C ATOM 688 O MET A 43 4.874 -11.112 -5.090 1.00 0.00 O ATOM 689 CB MET A 43 3.568 -9.583 -3.060 1.00 0.00 C ATOM 690 CG MET A 43 2.148 -9.021 -2.941 1.00 0.00 C ATOM 691 SD MET A 43 1.003 -10.062 -3.831 1.00 0.00 S ATOM 692 CE MET A 43 -0.505 -9.139 -3.590 1.00 0.00 C ATOM 0 H MET A 43 2.662 -9.136 -5.502 1.00 0.00 H new ATOM 0 HA MET A 43 4.906 -8.097 -3.875 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.525 -10.663 -3.200 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.113 -9.403 -2.133 1.00 0.00 H new ATOM 0 HG2 MET A 43 1.858 -8.962 -1.892 1.00 0.00 H new ATOM 0 HG3 MET A 43 2.115 -8.007 -3.339 1.00 0.00 H new ATOM 0 HE1 MET A 43 -1.322 -9.634 -4.115 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.735 -9.089 -2.526 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.380 -8.130 -3.982 1.00 0.00 H new ATOM 702 N SER A 44 6.482 -9.522 -5.112 1.00 0.00 N ATOM 703 CA SER A 44 7.485 -10.388 -5.706 1.00 0.00 C ATOM 704 C SER A 44 8.541 -10.760 -4.664 1.00 0.00 C ATOM 705 O SER A 44 9.369 -9.930 -4.290 1.00 0.00 O ATOM 706 CB SER A 44 8.144 -9.718 -6.914 1.00 0.00 C ATOM 707 OG SER A 44 7.415 -9.948 -8.116 1.00 0.00 O ATOM 0 H SER A 44 6.800 -8.572 -4.918 1.00 0.00 H new ATOM 0 HA SER A 44 6.991 -11.296 -6.052 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.221 -8.645 -6.736 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.160 -10.096 -7.028 1.00 0.00 H new ATOM 0 HG SER A 44 7.867 -9.503 -8.863 1.00 0.00 H new ATOM 713 N ARG A 45 8.477 -12.008 -4.222 1.00 0.00 N ATOM 714 CA ARG A 45 9.416 -12.499 -3.230 1.00 0.00 C ATOM 715 C ARG A 45 10.552 -13.268 -3.909 1.00 0.00 C ATOM 716 O ARG A 45 11.447 -13.778 -3.239 1.00 0.00 O ATOM 717 CB ARG A 45 8.722 -13.415 -2.220 1.00 0.00 C ATOM 718 CG ARG A 45 8.459 -12.680 -0.904 1.00 0.00 C ATOM 719 CD ARG A 45 6.970 -12.698 -0.554 1.00 0.00 C ATOM 720 NE ARG A 45 6.741 -13.536 0.644 1.00 0.00 N ATOM 721 CZ ARG A 45 5.551 -14.085 0.966 1.00 0.00 C ATOM 722 NH1 ARG A 45 4.469 -13.888 0.182 1.00 0.00 N ATOM 723 NH2 ARG A 45 5.459 -14.817 2.061 1.00 0.00 N ATOM 0 H ARG A 45 7.789 -12.693 -4.534 1.00 0.00 H new ATOM 0 HA ARG A 45 9.821 -11.636 -2.702 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.780 -13.773 -2.635 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.342 -14.292 -2.033 1.00 0.00 H new ATOM 0 HG2 ARG A 45 9.030 -13.147 -0.102 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.805 -11.649 -0.983 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.619 -11.683 -0.370 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.395 -13.086 -1.395 1.00 0.00 H new ATOM 0 HE ARG A 45 7.532 -13.709 1.265 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.547 -13.320 -0.662 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.574 -14.307 0.434 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.280 -14.960 2.649 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.567 -15.239 2.319 1.00 0.00 H new ATOM 736 N ASP A 46 10.476 -13.326 -5.230 1.00 0.00 N ATOM 737 CA ASP A 46 11.488 -14.024 -6.007 1.00 0.00 C ATOM 738 C ASP A 46 12.877 -13.570 -5.554 1.00 0.00 C ATOM 739 O ASP A 46 13.857 -14.289 -5.734 1.00 0.00 O ATOM 740 CB ASP A 46 11.349 -13.709 -7.498 1.00 0.00 C ATOM 741 CG ASP A 46 10.870 -14.876 -8.364 1.00 0.00 C ATOM 742 OD1 ASP A 46 10.694 -16.003 -7.877 1.00 0.00 O ATOM 743 OD2 ASP A 46 10.672 -14.589 -9.605 1.00 0.00 O ATOM 0 H ASP A 46 9.731 -12.902 -5.782 1.00 0.00 H new ATOM 0 HA ASP A 46 11.356 -15.095 -5.850 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.652 -12.879 -7.615 1.00 0.00 H new ATOM 0 HB3 ASP A 46 12.314 -13.370 -7.874 1.00 0.00 H new ATOM 749 N LEU A 47 12.915 -12.380 -4.975 1.00 0.00 N ATOM 750 CA LEU A 47 14.168 -11.821 -4.494 1.00 0.00 C ATOM 751 C LEU A 47 13.908 -11.024 -3.215 1.00 0.00 C ATOM 752 O LEU A 47 14.437 -11.355 -2.154 1.00 0.00 O ATOM 753 CB LEU A 47 14.850 -11.008 -5.598 1.00 0.00 C ATOM 754 CG LEU A 47 16.182 -11.558 -6.109 1.00 0.00 C ATOM 755 CD1 LEU A 47 16.033 -12.130 -7.521 1.00 0.00 C ATOM 756 CD2 LEU A 47 17.280 -10.496 -6.034 1.00 0.00 C ATOM 0 H LEU A 47 12.099 -11.786 -4.828 1.00 0.00 H new ATOM 0 HA LEU A 47 14.867 -12.617 -4.237 1.00 0.00 H new ATOM 0 HB2 LEU A 47 14.164 -10.930 -6.441 1.00 0.00 H new ATOM 0 HB3 LEU A 47 15.015 -9.996 -5.228 1.00 0.00 H new ATOM 0 HG LEU A 47 16.484 -12.379 -5.459 1.00 0.00 H new ATOM 0 HD11 LEU A 47 16.995 -12.515 -7.861 1.00 0.00 H new ATOM 0 HD12 LEU A 47 15.302 -12.938 -7.511 1.00 0.00 H new ATOM 0 HD13 LEU A 47 15.696 -11.345 -8.198 1.00 0.00 H new ATOM 0 HD21 LEU A 47 18.216 -10.914 -6.403 1.00 0.00 H new ATOM 0 HD22 LEU A 47 16.999 -9.638 -6.645 1.00 0.00 H new ATOM 0 HD23 LEU A 47 17.408 -10.178 -4.999 1.00 0.00 H new ATOM 768 N ALA A 48 13.095 -9.988 -3.355 1.00 0.00 N ATOM 769 CA ALA A 48 12.758 -9.141 -2.223 1.00 0.00 C ATOM 770 C ALA A 48 12.138 -7.838 -2.733 1.00 0.00 C ATOM 771 O ALA A 48 12.817 -6.817 -2.823 1.00 0.00 O ATOM 772 CB ALA A 48 14.011 -8.898 -1.378 1.00 0.00 C ATOM 0 H ALA A 48 12.659 -9.715 -4.236 1.00 0.00 H new ATOM 0 HA ALA A 48 12.022 -9.629 -1.584 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.760 -8.263 -0.529 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.397 -9.851 -1.017 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.770 -8.407 -1.986 1.00 0.00 H new ATOM 778 N TYR A 49 10.854 -7.918 -3.052 1.00 0.00 N ATOM 779 CA TYR A 49 10.134 -6.758 -3.550 1.00 0.00 C ATOM 780 C TYR A 49 8.626 -6.924 -3.356 1.00 0.00 C ATOM 781 O TYR A 49 8.075 -7.990 -3.626 1.00 0.00 O ATOM 782 CB TYR A 49 10.438 -6.684 -5.048 1.00 0.00 C ATOM 783 CG TYR A 49 11.925 -6.799 -5.387 1.00 0.00 C ATOM 784 CD1 TYR A 49 12.779 -5.750 -5.109 1.00 0.00 C ATOM 785 CD2 TYR A 49 12.413 -7.950 -5.972 1.00 0.00 C ATOM 786 CE1 TYR A 49 14.179 -5.859 -5.430 1.00 0.00 C ATOM 787 CE2 TYR A 49 13.813 -8.057 -6.291 1.00 0.00 C ATOM 788 CZ TYR A 49 14.627 -7.006 -6.004 1.00 0.00 C ATOM 789 OH TYR A 49 15.949 -7.109 -6.306 1.00 0.00 O ATOM 0 H TYR A 49 10.294 -8.767 -2.975 1.00 0.00 H new ATOM 0 HA TYR A 49 10.440 -5.858 -3.016 1.00 0.00 H new ATOM 0 HB2 TYR A 49 9.897 -7.481 -5.558 1.00 0.00 H new ATOM 0 HB3 TYR A 49 10.059 -5.740 -5.439 1.00 0.00 H new ATOM 0 HD1 TYR A 49 12.398 -4.849 -4.652 1.00 0.00 H new ATOM 0 HD2 TYR A 49 11.745 -8.770 -6.190 1.00 0.00 H new ATOM 0 HE1 TYR A 49 14.858 -5.046 -5.219 1.00 0.00 H new ATOM 0 HE2 TYR A 49 14.208 -8.952 -6.748 1.00 0.00 H new ATOM 0 HH TYR A 49 16.472 -6.574 -5.673 1.00 0.00 H new ATOM 799 N ALA A 50 8.000 -5.854 -2.887 1.00 0.00 N ATOM 800 CA ALA A 50 6.566 -5.868 -2.653 1.00 0.00 C ATOM 801 C ALA A 50 5.993 -4.478 -2.940 1.00 0.00 C ATOM 802 O ALA A 50 6.021 -3.602 -2.077 1.00 0.00 O ATOM 803 CB ALA A 50 6.287 -6.330 -1.222 1.00 0.00 C ATOM 0 H ALA A 50 8.460 -4.972 -2.663 1.00 0.00 H new ATOM 0 HA ALA A 50 6.074 -6.572 -3.324 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.211 -6.341 -1.046 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.688 -7.333 -1.079 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.763 -5.646 -0.519 1.00 0.00 H new ATOM 809 N LYS A 51 5.488 -4.321 -4.154 1.00 0.00 N ATOM 810 CA LYS A 51 4.910 -3.053 -4.565 1.00 0.00 C ATOM 811 C LYS A 51 3.393 -3.103 -4.375 1.00 0.00 C ATOM 812 O LYS A 51 2.713 -3.924 -4.988 1.00 0.00 O ATOM 813 CB LYS A 51 5.339 -2.706 -5.992 1.00 0.00 C ATOM 814 CG LYS A 51 6.267 -3.780 -6.562 1.00 0.00 C ATOM 815 CD LYS A 51 6.936 -3.299 -7.851 1.00 0.00 C ATOM 816 CE LYS A 51 8.239 -2.556 -7.547 1.00 0.00 C ATOM 817 NZ LYS A 51 8.989 -2.293 -8.795 1.00 0.00 N ATOM 0 H LYS A 51 5.467 -5.051 -4.867 1.00 0.00 H new ATOM 0 HA LYS A 51 5.284 -2.244 -3.938 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.458 -2.607 -6.626 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.846 -1.741 -5.999 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.029 -4.035 -5.826 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.699 -4.689 -6.760 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.142 -4.151 -8.498 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.257 -2.642 -8.395 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.019 -1.615 -7.043 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.851 -3.147 -6.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.870 -1.788 -8.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.215 -3.195 -9.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.409 -1.711 -9.432 1.00 0.00 H new ATOM 830 N VAL A 52 2.906 -2.215 -3.519 1.00 0.00 N ATOM 831 CA VAL A 52 1.482 -2.149 -3.240 1.00 0.00 C ATOM 832 C VAL A 52 0.930 -0.815 -3.743 1.00 0.00 C ATOM 833 O VAL A 52 1.414 0.248 -3.357 1.00 0.00 O ATOM 834 CB VAL A 52 1.230 -2.375 -1.748 1.00 0.00 C ATOM 835 CG1 VAL A 52 2.049 -1.400 -0.899 1.00 0.00 C ATOM 836 CG2 VAL A 52 -0.261 -2.268 -1.421 1.00 0.00 C ATOM 0 H VAL A 52 3.473 -1.536 -3.010 1.00 0.00 H new ATOM 0 HA VAL A 52 0.952 -2.941 -3.769 1.00 0.00 H new ATOM 0 HB VAL A 52 1.555 -3.386 -1.503 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.851 -1.582 0.157 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.110 -1.546 -1.100 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.770 -0.377 -1.149 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.412 -2.433 -0.354 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.622 -1.275 -1.690 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.812 -3.020 -1.986 1.00 0.00 H new ATOM 846 N TYR A 53 -0.078 -0.912 -4.600 1.00 0.00 N ATOM 847 CA TYR A 53 -0.700 0.275 -5.162 1.00 0.00 C ATOM 848 C TYR A 53 -1.696 0.889 -4.176 1.00 0.00 C ATOM 849 O TYR A 53 -2.466 0.173 -3.538 1.00 0.00 O ATOM 850 CB TYR A 53 -1.456 -0.194 -6.405 1.00 0.00 C ATOM 851 CG TYR A 53 -1.136 0.608 -7.668 1.00 0.00 C ATOM 852 CD1 TYR A 53 -0.715 1.917 -7.566 1.00 0.00 C ATOM 853 CD2 TYR A 53 -1.265 0.020 -8.910 1.00 0.00 C ATOM 854 CE1 TYR A 53 -0.413 2.673 -8.754 1.00 0.00 C ATOM 855 CE2 TYR A 53 -0.963 0.775 -10.099 1.00 0.00 C ATOM 856 CZ TYR A 53 -0.552 2.064 -9.962 1.00 0.00 C ATOM 857 OH TYR A 53 -0.266 2.776 -11.085 1.00 0.00 O ATOM 0 H TYR A 53 -0.479 -1.794 -4.918 1.00 0.00 H new ATOM 0 HA TYR A 53 0.051 1.031 -5.390 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.223 -1.244 -6.585 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.527 -0.134 -6.211 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.612 2.376 -6.594 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.592 -1.006 -8.990 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.084 3.699 -8.687 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.061 0.328 -11.077 1.00 0.00 H new ATOM 0 HH TYR A 53 0.221 3.591 -10.841 1.00 0.00 H new ATOM 867 N VAL A 54 -1.647 2.211 -4.081 1.00 0.00 N ATOM 868 CA VAL A 54 -2.535 2.929 -3.184 1.00 0.00 C ATOM 869 C VAL A 54 -2.983 4.232 -3.850 1.00 0.00 C ATOM 870 O VAL A 54 -2.159 5.097 -4.143 1.00 0.00 O ATOM 871 CB VAL A 54 -1.847 3.154 -1.836 1.00 0.00 C ATOM 872 CG1 VAL A 54 -2.184 2.028 -0.855 1.00 0.00 C ATOM 873 CG2 VAL A 54 -0.334 3.295 -2.009 1.00 0.00 C ATOM 0 H VAL A 54 -1.006 2.802 -4.611 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.431 2.341 -2.984 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.224 4.088 -1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.683 2.211 0.095 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.262 1.994 -0.696 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.848 1.076 -1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.130 3.454 -1.036 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.067 2.386 -2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.119 4.145 -2.657 1.00 0.00 H new ATOM 883 N THR A 55 -4.284 4.330 -4.071 1.00 0.00 N ATOM 884 CA THR A 55 -4.850 5.512 -4.700 1.00 0.00 C ATOM 885 C THR A 55 -5.571 6.373 -3.659 1.00 0.00 C ATOM 886 O THR A 55 -6.417 5.878 -2.916 1.00 0.00 O ATOM 887 CB THR A 55 -5.759 5.052 -5.842 1.00 0.00 C ATOM 888 OG1 THR A 55 -6.762 6.060 -5.916 1.00 0.00 O ATOM 889 CG2 THR A 55 -6.534 3.778 -5.498 1.00 0.00 C ATOM 0 H THR A 55 -4.964 3.610 -3.826 1.00 0.00 H new ATOM 0 HA THR A 55 -4.072 6.148 -5.122 1.00 0.00 H new ATOM 0 HB THR A 55 -5.159 4.881 -6.736 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.393 5.841 -6.633 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.163 3.496 -6.342 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.832 2.972 -5.283 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.159 3.958 -4.624 1.00 0.00 H new ATOM 897 N PHE A 56 -5.210 7.647 -3.642 1.00 0.00 N ATOM 898 CA PHE A 56 -5.812 8.583 -2.708 1.00 0.00 C ATOM 899 C PHE A 56 -6.561 9.693 -3.446 1.00 0.00 C ATOM 900 O PHE A 56 -6.329 9.920 -4.633 1.00 0.00 O ATOM 901 CB PHE A 56 -4.670 9.205 -1.901 1.00 0.00 C ATOM 902 CG PHE A 56 -3.657 8.190 -1.370 1.00 0.00 C ATOM 903 CD1 PHE A 56 -4.071 6.954 -0.982 1.00 0.00 C ATOM 904 CD2 PHE A 56 -2.341 8.521 -1.288 1.00 0.00 C ATOM 905 CE1 PHE A 56 -3.131 6.011 -0.490 1.00 0.00 C ATOM 906 CE2 PHE A 56 -1.399 7.578 -0.796 1.00 0.00 C ATOM 907 CZ PHE A 56 -1.815 6.342 -0.407 1.00 0.00 C ATOM 0 H PHE A 56 -4.508 8.053 -4.260 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.527 8.063 -2.070 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.149 9.929 -2.527 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.091 9.756 -1.060 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.116 6.690 -1.048 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.011 9.502 -1.597 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -3.461 5.030 -0.181 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.354 7.842 -0.731 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.100 5.624 -0.033 1.00 0.00 H new ATOM 917 N LEU A 57 -7.447 10.353 -2.715 1.00 0.00 N ATOM 918 CA LEU A 57 -8.233 11.434 -3.288 1.00 0.00 C ATOM 919 C LEU A 57 -7.557 12.771 -2.974 1.00 0.00 C ATOM 920 O LEU A 57 -8.197 13.820 -3.027 1.00 0.00 O ATOM 921 CB LEU A 57 -9.684 11.351 -2.811 1.00 0.00 C ATOM 922 CG LEU A 57 -10.726 12.006 -3.720 1.00 0.00 C ATOM 923 CD1 LEU A 57 -10.892 11.219 -5.021 1.00 0.00 C ATOM 924 CD2 LEU A 57 -12.057 12.186 -2.986 1.00 0.00 C ATOM 0 H LEU A 57 -7.638 10.161 -1.732 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.273 11.344 -4.374 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.946 10.300 -2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.749 11.812 -1.826 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.368 13.000 -3.989 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.638 11.706 -5.648 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.939 11.185 -5.550 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.217 10.204 -4.793 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.780 12.654 -3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.432 11.213 -2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.908 12.820 -2.112 1.00 0.00 H new ATOM 936 N ASN A 58 -6.275 12.689 -2.655 1.00 0.00 N ATOM 937 CA ASN A 58 -5.507 13.879 -2.333 1.00 0.00 C ATOM 938 C ASN A 58 -5.525 14.831 -3.530 1.00 0.00 C ATOM 939 O ASN A 58 -5.510 16.049 -3.359 1.00 0.00 O ATOM 940 CB ASN A 58 -4.048 13.528 -2.028 1.00 0.00 C ATOM 941 CG ASN A 58 -3.720 13.775 -0.556 1.00 0.00 C ATOM 942 OD1 ASN A 58 -4.090 14.972 -0.111 1.00 0.00 O flip ATOM 943 ND2 ASN A 58 -3.168 12.932 0.134 1.00 0.00 N flip ATOM 0 H ASN A 58 -5.748 11.817 -2.612 1.00 0.00 H new ATOM 0 HA ASN A 58 -5.956 14.344 -1.455 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -3.863 12.483 -2.275 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.388 14.126 -2.656 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -2.910 12.032 -0.270 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.965 13.128 1.114 1.00 0.00 H new ATOM 950 N ASP A 59 -5.555 14.241 -4.715 1.00 0.00 N ATOM 951 CA ASP A 59 -5.575 15.022 -5.941 1.00 0.00 C ATOM 952 C ASP A 59 -6.499 16.225 -5.758 1.00 0.00 C ATOM 953 O ASP A 59 -6.239 17.300 -6.297 1.00 0.00 O ATOM 954 CB ASP A 59 -6.104 14.193 -7.113 1.00 0.00 C ATOM 955 CG ASP A 59 -7.216 13.204 -6.756 1.00 0.00 C ATOM 956 OD1 ASP A 59 -8.410 13.520 -6.865 1.00 0.00 O ATOM 957 OD2 ASP A 59 -6.809 12.051 -6.345 1.00 0.00 O ATOM 0 H ASP A 59 -5.566 13.230 -4.853 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.555 15.340 -6.156 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.475 14.872 -7.881 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.273 13.640 -7.551 1.00 0.00 H new ATOM 963 N LYS A 60 -7.561 16.007 -4.995 1.00 0.00 N ATOM 964 CA LYS A 60 -8.525 17.062 -4.733 1.00 0.00 C ATOM 965 C LYS A 60 -7.784 18.381 -4.509 1.00 0.00 C ATOM 966 O LYS A 60 -8.129 19.401 -5.103 1.00 0.00 O ATOM 967 CB LYS A 60 -9.448 16.670 -3.578 1.00 0.00 C ATOM 968 CG LYS A 60 -10.773 16.111 -4.099 1.00 0.00 C ATOM 969 CD LYS A 60 -11.953 16.958 -3.618 1.00 0.00 C ATOM 970 CE LYS A 60 -12.698 16.263 -2.476 1.00 0.00 C ATOM 971 NZ LYS A 60 -13.574 17.223 -1.769 1.00 0.00 N ATOM 0 H LYS A 60 -7.775 15.114 -4.550 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.176 17.205 -5.595 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.956 15.925 -2.952 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.639 17.540 -2.949 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.758 16.087 -5.189 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.897 15.083 -3.759 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.594 17.931 -3.283 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.638 17.138 -4.447 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.294 15.440 -2.870 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.982 15.831 -1.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.072 16.735 -0.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.998 17.994 -1.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.269 17.615 -2.436 1.00 0.00 H new ATOM 984 N ASP A 61 -6.779 18.319 -3.649 1.00 0.00 N ATOM 985 CA ASP A 61 -5.985 19.496 -3.338 1.00 0.00 C ATOM 986 C ASP A 61 -4.502 19.171 -3.527 1.00 0.00 C ATOM 987 O ASP A 61 -3.997 18.204 -2.959 1.00 0.00 O ATOM 988 CB ASP A 61 -6.192 19.931 -1.885 1.00 0.00 C ATOM 989 CG ASP A 61 -7.638 19.860 -1.389 1.00 0.00 C ATOM 990 OD1 ASP A 61 -8.105 18.806 -0.934 1.00 0.00 O ATOM 991 OD2 ASP A 61 -8.301 20.963 -1.484 1.00 0.00 O ATOM 0 H ASP A 61 -6.496 17.472 -3.157 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.298 20.300 -4.004 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.572 19.306 -1.242 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.835 20.955 -1.774 1.00 0.00 H new ATOM 997 N GLU A 62 -3.846 19.997 -4.329 1.00 0.00 N ATOM 998 CA GLU A 62 -2.431 19.809 -4.600 1.00 0.00 C ATOM 999 C GLU A 62 -1.609 20.069 -3.336 1.00 0.00 C ATOM 1000 O GLU A 62 -0.501 19.554 -3.197 1.00 0.00 O ATOM 1001 CB GLU A 62 -1.970 20.710 -5.748 1.00 0.00 C ATOM 1002 CG GLU A 62 -0.628 20.235 -6.311 1.00 0.00 C ATOM 1003 CD GLU A 62 -0.239 21.039 -7.554 1.00 0.00 C ATOM 1004 OE1 GLU A 62 -0.455 20.577 -8.684 1.00 0.00 O ATOM 1005 OE2 GLU A 62 0.303 22.184 -7.314 1.00 0.00 O ATOM 0 H GLU A 62 -4.268 20.798 -4.800 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.273 18.775 -4.906 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.720 20.711 -6.538 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.878 21.737 -5.395 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.146 20.337 -5.550 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.690 19.176 -6.563 1.00 0.00 H new ATOM 1013 N ASP A 63 -2.184 20.867 -2.448 1.00 0.00 N ATOM 1014 CA ASP A 63 -1.518 21.200 -1.200 1.00 0.00 C ATOM 1015 C ASP A 63 -1.469 19.959 -0.306 1.00 0.00 C ATOM 1016 O ASP A 63 -0.447 19.682 0.320 1.00 0.00 O ATOM 1017 CB ASP A 63 -2.276 22.295 -0.447 1.00 0.00 C ATOM 1018 CG ASP A 63 -1.471 23.568 -0.175 1.00 0.00 C ATOM 1019 OD1 ASP A 63 -1.576 24.560 -0.913 1.00 0.00 O ATOM 1020 OD2 ASP A 63 -0.701 23.515 0.858 1.00 0.00 O ATOM 0 H ASP A 63 -3.103 21.292 -2.568 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.514 21.553 -1.437 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.165 22.560 -1.020 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.619 21.890 0.505 1.00 0.00 H new ATOM 1026 N ALA A 64 -2.584 19.246 -0.275 1.00 0.00 N ATOM 1027 CA ALA A 64 -2.681 18.042 0.531 1.00 0.00 C ATOM 1028 C ALA A 64 -2.015 16.881 -0.211 1.00 0.00 C ATOM 1029 O ALA A 64 -1.662 15.871 0.396 1.00 0.00 O ATOM 1030 CB ALA A 64 -4.149 17.760 0.854 1.00 0.00 C ATOM 0 H ALA A 64 -3.429 19.479 -0.796 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.158 18.172 1.478 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.221 16.856 1.459 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.568 18.601 1.407 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.705 17.622 -0.073 1.00 0.00 H new ATOM 1036 N VAL A 65 -1.863 17.064 -1.516 1.00 0.00 N ATOM 1037 CA VAL A 65 -1.245 16.045 -2.345 1.00 0.00 C ATOM 1038 C VAL A 65 0.262 16.022 -2.083 1.00 0.00 C ATOM 1039 O VAL A 65 0.861 14.954 -1.967 1.00 0.00 O ATOM 1040 CB VAL A 65 -1.592 16.287 -3.816 1.00 0.00 C ATOM 1041 CG1 VAL A 65 -0.370 16.782 -4.594 1.00 0.00 C ATOM 1042 CG2 VAL A 65 -2.175 15.027 -4.457 1.00 0.00 C ATOM 0 H VAL A 65 -2.157 17.902 -2.017 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.633 15.059 -2.090 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.353 17.066 -3.856 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.644 16.946 -5.636 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.017 17.717 -4.160 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.422 16.035 -4.540 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.413 15.227 -5.502 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.446 14.219 -4.399 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.082 14.736 -3.928 1.00 0.00 H new ATOM 1052 N LYS A 66 0.834 17.215 -1.996 1.00 0.00 N ATOM 1053 CA LYS A 66 2.259 17.346 -1.750 1.00 0.00 C ATOM 1054 C LYS A 66 2.545 17.057 -0.275 1.00 0.00 C ATOM 1055 O LYS A 66 3.417 16.250 0.046 1.00 0.00 O ATOM 1056 CB LYS A 66 2.761 18.714 -2.218 1.00 0.00 C ATOM 1057 CG LYS A 66 4.118 18.592 -2.913 1.00 0.00 C ATOM 1058 CD LYS A 66 3.995 18.886 -4.411 1.00 0.00 C ATOM 1059 CE LYS A 66 4.819 17.895 -5.234 1.00 0.00 C ATOM 1060 NZ LYS A 66 4.440 17.967 -6.662 1.00 0.00 N ATOM 0 H LYS A 66 0.335 18.099 -2.092 1.00 0.00 H new ATOM 0 HA LYS A 66 2.816 16.612 -2.333 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.037 19.157 -2.902 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.845 19.386 -1.364 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.827 19.285 -2.460 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.516 17.588 -2.767 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.949 18.832 -4.711 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.333 19.902 -4.615 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.881 18.114 -5.122 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.661 16.883 -4.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.009 17.288 -7.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.431 17.736 -6.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.613 18.928 -7.019 1.00 0.00 H new ATOM 1073 N ALA A 67 1.796 17.733 0.584 1.00 0.00 N ATOM 1074 CA ALA A 67 1.958 17.558 2.017 1.00 0.00 C ATOM 1075 C ALA A 67 1.613 16.117 2.393 1.00 0.00 C ATOM 1076 O ALA A 67 2.395 15.443 3.064 1.00 0.00 O ATOM 1077 CB ALA A 67 1.090 18.578 2.756 1.00 0.00 C ATOM 0 H ALA A 67 1.075 18.403 0.315 1.00 0.00 H new ATOM 0 HA ALA A 67 2.992 17.736 2.311 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.211 18.447 3.831 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.395 19.586 2.476 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.044 18.428 2.488 1.00 0.00 H new ATOM 1083 N GLY A 68 0.443 15.685 1.946 1.00 0.00 N ATOM 1084 CA GLY A 68 -0.014 14.336 2.229 1.00 0.00 C ATOM 1085 C GLY A 68 1.013 13.301 1.764 1.00 0.00 C ATOM 1086 O GLY A 68 1.538 12.537 2.572 1.00 0.00 O ATOM 0 H GLY A 68 -0.202 16.246 1.390 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.189 14.224 3.299 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.966 14.158 1.730 1.00 0.00 H new ATOM 1090 N ILE A 69 1.268 13.309 0.465 1.00 0.00 N ATOM 1091 CA ILE A 69 2.223 12.381 -0.117 1.00 0.00 C ATOM 1092 C ILE A 69 3.555 12.493 0.627 1.00 0.00 C ATOM 1093 O ILE A 69 4.282 11.510 0.757 1.00 0.00 O ATOM 1094 CB ILE A 69 2.340 12.607 -1.626 1.00 0.00 C ATOM 1095 CG1 ILE A 69 2.792 11.330 -2.338 1.00 0.00 C ATOM 1096 CG2 ILE A 69 3.258 13.791 -1.933 1.00 0.00 C ATOM 1097 CD1 ILE A 69 2.070 11.166 -3.676 1.00 0.00 C ATOM 0 H ILE A 69 0.830 13.944 -0.202 1.00 0.00 H new ATOM 0 HA ILE A 69 1.877 11.354 0.002 1.00 0.00 H new ATOM 0 HB ILE A 69 1.352 12.858 -2.012 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.869 11.363 -2.503 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.593 10.466 -1.704 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.324 13.930 -3.012 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.853 14.693 -1.475 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.252 13.595 -1.531 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.409 10.251 -4.162 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.995 11.109 -3.505 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.291 12.020 -4.316 1.00 0.00 H new ATOM 1109 N LYS A 70 3.834 13.701 1.096 1.00 0.00 N ATOM 1110 CA LYS A 70 5.066 13.955 1.824 1.00 0.00 C ATOM 1111 C LYS A 70 5.027 13.209 3.160 1.00 0.00 C ATOM 1112 O LYS A 70 6.058 12.756 3.652 1.00 0.00 O ATOM 1113 CB LYS A 70 5.305 15.459 1.964 1.00 0.00 C ATOM 1114 CG LYS A 70 6.398 15.746 2.996 1.00 0.00 C ATOM 1115 CD LYS A 70 6.837 17.210 2.936 1.00 0.00 C ATOM 1116 CE LYS A 70 6.114 18.043 3.996 1.00 0.00 C ATOM 1117 NZ LYS A 70 6.810 17.942 5.298 1.00 0.00 N ATOM 0 H LYS A 70 3.228 14.514 0.986 1.00 0.00 H new ATOM 0 HA LYS A 70 5.923 13.571 1.270 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.592 15.877 0.999 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.380 15.952 2.262 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.030 15.514 3.995 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.255 15.098 2.813 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.914 17.277 3.088 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.629 17.615 1.946 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.070 19.085 3.680 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.085 17.698 4.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.306 18.513 6.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.830 16.949 5.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.784 18.293 5.199 1.00 0.00 H new ATOM 1130 N ALA A 71 3.825 13.107 3.709 1.00 0.00 N ATOM 1131 CA ALA A 71 3.638 12.427 4.978 1.00 0.00 C ATOM 1132 C ALA A 71 3.630 10.914 4.745 1.00 0.00 C ATOM 1133 O ALA A 71 4.253 10.163 5.493 1.00 0.00 O ATOM 1134 CB ALA A 71 2.349 12.920 5.638 1.00 0.00 C ATOM 0 H ALA A 71 2.971 13.484 3.297 1.00 0.00 H new ATOM 0 HA ALA A 71 4.460 12.653 5.658 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.209 12.409 6.591 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.416 13.994 5.809 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.502 12.708 4.985 1.00 0.00 H new ATOM 1140 N LEU A 72 2.918 10.512 3.701 1.00 0.00 N ATOM 1141 CA LEU A 72 2.822 9.104 3.359 1.00 0.00 C ATOM 1142 C LEU A 72 4.189 8.601 2.894 1.00 0.00 C ATOM 1143 O LEU A 72 4.461 7.402 2.934 1.00 0.00 O ATOM 1144 CB LEU A 72 1.704 8.876 2.340 1.00 0.00 C ATOM 1145 CG LEU A 72 0.828 7.642 2.569 1.00 0.00 C ATOM 1146 CD1 LEU A 72 -0.654 7.979 2.382 1.00 0.00 C ATOM 1147 CD2 LEU A 72 1.270 6.482 1.675 1.00 0.00 C ATOM 0 H LEU A 72 2.403 11.138 3.082 1.00 0.00 H new ATOM 0 HA LEU A 72 2.548 8.517 4.236 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.062 9.757 2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.152 8.800 1.349 1.00 0.00 H new ATOM 0 HG LEU A 72 0.957 7.319 3.602 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.254 7.085 2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.944 8.751 3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.820 8.341 1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.631 5.618 1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.190 6.778 0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.304 6.223 1.900 1.00 0.00 H new ATOM 1159 N GLN A 73 5.015 9.543 2.463 1.00 0.00 N ATOM 1160 CA GLN A 73 6.349 9.211 1.991 1.00 0.00 C ATOM 1161 C GLN A 73 7.301 9.029 3.175 1.00 0.00 C ATOM 1162 O GLN A 73 7.974 8.004 3.283 1.00 0.00 O ATOM 1163 CB GLN A 73 6.870 10.276 1.025 1.00 0.00 C ATOM 1164 CG GLN A 73 8.203 9.849 0.405 1.00 0.00 C ATOM 1165 CD GLN A 73 9.355 10.698 0.946 1.00 0.00 C ATOM 1166 OE1 GLN A 73 10.259 10.215 1.609 1.00 0.00 O ATOM 1167 NE2 GLN A 73 9.274 11.986 0.629 1.00 0.00 N ATOM 0 H GLN A 73 4.786 10.537 2.431 1.00 0.00 H new ATOM 0 HA GLN A 73 6.296 8.269 1.445 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.137 10.447 0.237 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.997 11.221 1.554 1.00 0.00 H new ATOM 0 HG2 GLN A 73 8.389 8.797 0.622 1.00 0.00 H new ATOM 0 HG3 GLN A 73 8.152 9.947 -0.679 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.491 12.326 0.071 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.995 12.635 0.944 1.00 0.00 H new ATOM 1176 N GLU A 74 7.327 10.039 4.032 1.00 0.00 N ATOM 1177 CA GLU A 74 8.186 10.004 5.204 1.00 0.00 C ATOM 1178 C GLU A 74 7.865 8.779 6.060 1.00 0.00 C ATOM 1179 O GLU A 74 8.747 8.227 6.716 1.00 0.00 O ATOM 1180 CB GLU A 74 8.055 11.293 6.017 1.00 0.00 C ATOM 1181 CG GLU A 74 6.891 11.202 7.006 1.00 0.00 C ATOM 1182 CD GLU A 74 7.353 10.621 8.345 1.00 0.00 C ATOM 1183 OE1 GLU A 74 8.480 10.894 8.782 1.00 0.00 O ATOM 1184 OE2 GLU A 74 6.492 9.863 8.935 1.00 0.00 O ATOM 0 H GLU A 74 6.767 10.887 3.938 1.00 0.00 H new ATOM 0 HA GLU A 74 9.221 9.928 4.871 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.982 11.482 6.558 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.901 12.137 5.345 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.464 12.193 7.163 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.102 10.578 6.588 1.00 0.00 H new ATOM 1192 N ALA A 75 6.598 8.389 6.030 1.00 0.00 N ATOM 1193 CA ALA A 75 6.150 7.239 6.795 1.00 0.00 C ATOM 1194 C ALA A 75 6.318 5.974 5.952 1.00 0.00 C ATOM 1195 O ALA A 75 5.774 4.923 6.288 1.00 0.00 O ATOM 1196 CB ALA A 75 4.701 7.455 7.239 1.00 0.00 C ATOM 0 H ALA A 75 5.868 8.850 5.487 1.00 0.00 H new ATOM 0 HA ALA A 75 6.753 7.118 7.695 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.364 6.592 7.813 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.640 8.350 7.859 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.066 7.577 6.362 1.00 0.00 H new ATOM 1202 N SER A 76 7.075 6.115 4.874 1.00 0.00 N ATOM 1203 CA SER A 76 7.323 4.995 3.981 1.00 0.00 C ATOM 1204 C SER A 76 7.939 3.832 4.759 1.00 0.00 C ATOM 1205 O SER A 76 7.265 2.842 5.041 1.00 0.00 O ATOM 1206 CB SER A 76 8.238 5.405 2.825 1.00 0.00 C ATOM 1207 OG SER A 76 8.840 4.277 2.196 1.00 0.00 O ATOM 0 H SER A 76 7.525 6.988 4.598 1.00 0.00 H new ATOM 0 HA SER A 76 6.370 4.676 3.559 1.00 0.00 H new ATOM 0 HB2 SER A 76 7.663 5.967 2.089 1.00 0.00 H new ATOM 0 HB3 SER A 76 9.016 6.071 3.197 1.00 0.00 H new ATOM 0 HG SER A 76 9.415 4.580 1.462 1.00 0.00 H new ATOM 1213 N GLY A 77 9.215 3.988 5.086 1.00 0.00 N ATOM 1214 CA GLY A 77 9.929 2.963 5.826 1.00 0.00 C ATOM 1215 C GLY A 77 9.149 2.543 7.074 1.00 0.00 C ATOM 1216 O GLY A 77 9.381 1.466 7.622 1.00 0.00 O ATOM 0 H GLY A 77 9.772 4.810 4.851 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.093 2.096 5.187 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.911 3.336 6.115 1.00 0.00 H new ATOM 1220 N PHE A 78 8.241 3.415 7.485 1.00 0.00 N ATOM 1221 CA PHE A 78 7.425 3.148 8.658 1.00 0.00 C ATOM 1222 C PHE A 78 6.349 2.106 8.352 1.00 0.00 C ATOM 1223 O PHE A 78 6.119 1.193 9.146 1.00 0.00 O ATOM 1224 CB PHE A 78 6.748 4.466 9.041 1.00 0.00 C ATOM 1225 CG PHE A 78 7.212 5.038 10.382 1.00 0.00 C ATOM 1226 CD1 PHE A 78 6.767 4.491 11.545 1.00 0.00 C ATOM 1227 CD2 PHE A 78 8.070 6.093 10.410 1.00 0.00 C ATOM 1228 CE1 PHE A 78 7.199 5.023 12.789 1.00 0.00 C ATOM 1229 CE2 PHE A 78 8.501 6.624 11.654 1.00 0.00 C ATOM 1230 CZ PHE A 78 8.057 6.077 12.818 1.00 0.00 C ATOM 0 H PHE A 78 8.052 4.307 7.027 1.00 0.00 H new ATOM 0 HA PHE A 78 8.048 2.761 9.464 1.00 0.00 H new ATOM 0 HB2 PHE A 78 6.938 5.201 8.259 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.670 4.311 9.077 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.086 3.653 11.523 1.00 0.00 H new ATOM 0 HD2 PHE A 78 8.423 6.527 9.486 1.00 0.00 H new ATOM 0 HE1 PHE A 78 6.845 4.590 13.713 1.00 0.00 H new ATOM 0 HE2 PHE A 78 9.181 7.462 11.676 1.00 0.00 H new ATOM 0 HZ PHE A 78 8.386 6.480 13.764 1.00 0.00 H new ATOM 1240 N ILE A 79 5.717 2.274 7.200 1.00 0.00 N ATOM 1241 CA ILE A 79 4.670 1.358 6.778 1.00 0.00 C ATOM 1242 C ILE A 79 5.298 0.020 6.384 1.00 0.00 C ATOM 1243 O ILE A 79 4.759 -1.040 6.698 1.00 0.00 O ATOM 1244 CB ILE A 79 3.820 1.988 5.674 1.00 0.00 C ATOM 1245 CG1 ILE A 79 4.696 2.487 4.524 1.00 0.00 C ATOM 1246 CG2 ILE A 79 2.925 3.095 6.236 1.00 0.00 C ATOM 1247 CD1 ILE A 79 3.864 2.720 3.261 1.00 0.00 C ATOM 0 H ILE A 79 5.910 3.032 6.545 1.00 0.00 H new ATOM 0 HA ILE A 79 3.984 1.158 7.601 1.00 0.00 H new ATOM 0 HB ILE A 79 3.164 1.219 5.267 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.190 3.414 4.814 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.481 1.759 4.318 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.331 3.527 5.430 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.261 2.677 6.993 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.545 3.871 6.686 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.512 3.074 2.459 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.391 1.785 2.959 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.096 3.466 3.464 1.00 0.00 H new ATOM 1259 N ARG A 80 6.430 0.112 5.700 1.00 0.00 N ATOM 1260 CA ARG A 80 7.136 -1.079 5.259 1.00 0.00 C ATOM 1261 C ARG A 80 7.674 -1.853 6.463 1.00 0.00 C ATOM 1262 O ARG A 80 7.502 -3.067 6.552 1.00 0.00 O ATOM 1263 CB ARG A 80 8.299 -0.716 4.333 1.00 0.00 C ATOM 1264 CG ARG A 80 9.286 -1.880 4.213 1.00 0.00 C ATOM 1265 CD ARG A 80 10.436 -1.527 3.265 1.00 0.00 C ATOM 1266 NE ARG A 80 11.720 -1.995 3.833 1.00 0.00 N ATOM 1267 CZ ARG A 80 12.917 -1.836 3.228 1.00 0.00 C ATOM 1268 NH1 ARG A 80 13.002 -1.219 2.030 1.00 0.00 N ATOM 1269 NH2 ARG A 80 14.002 -2.293 3.825 1.00 0.00 N ATOM 0 H ARG A 80 6.875 0.992 5.441 1.00 0.00 H new ATOM 0 HA ARG A 80 6.429 -1.701 4.710 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.916 -0.456 3.346 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.814 0.164 4.717 1.00 0.00 H new ATOM 0 HG2 ARG A 80 9.684 -2.127 5.197 1.00 0.00 H new ATOM 0 HG3 ARG A 80 8.767 -2.766 3.847 1.00 0.00 H new ATOM 0 HD2 ARG A 80 10.270 -1.987 2.291 1.00 0.00 H new ATOM 0 HD3 ARG A 80 10.470 -0.449 3.106 1.00 0.00 H new ATOM 0 HE ARG A 80 11.700 -2.467 4.737 1.00 0.00 H new ATOM 0 HH11 ARG A 80 12.159 -0.869 1.576 1.00 0.00 H new ATOM 0 HH12 ARG A 80 13.910 -1.103 1.579 1.00 0.00 H new ATOM 0 HH21 ARG A 80 13.929 -2.758 4.730 1.00 0.00 H new ATOM 0 HH22 ARG A 80 14.914 -2.181 3.381 1.00 0.00 H new ATOM 1282 N SER A 81 8.316 -1.119 7.360 1.00 0.00 N ATOM 1283 CA SER A 81 8.880 -1.723 8.555 1.00 0.00 C ATOM 1284 C SER A 81 7.759 -2.164 9.498 1.00 0.00 C ATOM 1285 O SER A 81 7.874 -3.190 10.169 1.00 0.00 O ATOM 1286 CB SER A 81 9.822 -0.752 9.270 1.00 0.00 C ATOM 1287 OG SER A 81 10.344 -1.304 10.476 1.00 0.00 O ATOM 0 H SER A 81 8.458 -0.112 7.283 1.00 0.00 H new ATOM 0 HA SER A 81 9.459 -2.596 8.256 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.645 -0.490 8.605 1.00 0.00 H new ATOM 0 HB3 SER A 81 9.288 0.171 9.495 1.00 0.00 H new ATOM 0 HG SER A 81 10.942 -0.654 10.901 1.00 0.00 H new ATOM 1293 N LEU A 82 6.699 -1.370 9.519 1.00 0.00 N ATOM 1294 CA LEU A 82 5.558 -1.666 10.368 1.00 0.00 C ATOM 1295 C LEU A 82 4.904 -2.968 9.901 1.00 0.00 C ATOM 1296 O LEU A 82 4.390 -3.735 10.712 1.00 0.00 O ATOM 1297 CB LEU A 82 4.598 -0.475 10.411 1.00 0.00 C ATOM 1298 CG LEU A 82 3.298 -0.689 11.189 1.00 0.00 C ATOM 1299 CD1 LEU A 82 3.021 0.488 12.127 1.00 0.00 C ATOM 1300 CD2 LEU A 82 2.128 -0.954 10.240 1.00 0.00 C ATOM 0 H LEU A 82 6.606 -0.521 8.961 1.00 0.00 H new ATOM 0 HA LEU A 82 5.880 -1.823 11.398 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.124 0.374 10.847 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.344 -0.201 9.387 1.00 0.00 H new ATOM 0 HG LEU A 82 3.414 -1.576 11.811 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.091 0.311 12.668 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.841 0.588 12.838 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.933 1.405 11.544 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.216 -1.103 10.819 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.000 -0.101 9.574 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.333 -1.847 9.650 1.00 0.00 H new ATOM 1312 N LEU A 83 4.944 -3.174 8.592 1.00 0.00 N ATOM 1313 CA LEU A 83 4.361 -4.370 8.007 1.00 0.00 C ATOM 1314 C LEU A 83 5.195 -5.588 8.408 1.00 0.00 C ATOM 1315 O LEU A 83 4.678 -6.529 9.007 1.00 0.00 O ATOM 1316 CB LEU A 83 4.205 -4.203 6.493 1.00 0.00 C ATOM 1317 CG LEU A 83 3.078 -3.275 6.034 1.00 0.00 C ATOM 1318 CD1 LEU A 83 3.518 -2.431 4.837 1.00 0.00 C ATOM 1319 CD2 LEU A 83 1.801 -4.065 5.740 1.00 0.00 C ATOM 0 H LEU A 83 5.370 -2.534 7.922 1.00 0.00 H new ATOM 0 HA LEU A 83 3.355 -4.532 8.393 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.145 -3.827 6.090 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.041 -5.187 6.054 1.00 0.00 H new ATOM 0 HG LEU A 83 2.849 -2.587 6.848 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.699 -1.780 4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.379 -1.824 5.117 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.790 -3.087 4.010 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.017 -3.381 5.416 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.996 -4.793 4.952 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.479 -4.585 6.642 1.00 0.00 H new ATOM 1331 N GLY A 84 6.473 -5.531 8.060 1.00 0.00 N ATOM 1332 CA GLY A 84 7.384 -6.618 8.376 1.00 0.00 C ATOM 1333 C GLY A 84 7.216 -7.070 9.828 1.00 0.00 C ATOM 1334 O GLY A 84 7.074 -8.262 10.099 1.00 0.00 O ATOM 0 H GLY A 84 6.899 -4.749 7.562 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.200 -7.458 7.706 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.412 -6.296 8.208 1.00 0.00 H new ATOM 1338 N LYS A 85 7.237 -6.094 10.724 1.00 0.00 N ATOM 1339 CA LYS A 85 7.089 -6.375 12.142 1.00 0.00 C ATOM 1340 C LYS A 85 5.647 -6.799 12.425 1.00 0.00 C ATOM 1341 O LYS A 85 5.409 -7.723 13.202 1.00 0.00 O ATOM 1342 CB LYS A 85 7.554 -5.181 12.977 1.00 0.00 C ATOM 1343 CG LYS A 85 8.969 -5.404 13.514 1.00 0.00 C ATOM 1344 CD LYS A 85 9.126 -4.805 14.913 1.00 0.00 C ATOM 1345 CE LYS A 85 9.623 -3.359 14.837 1.00 0.00 C ATOM 1346 NZ LYS A 85 10.479 -3.045 16.003 1.00 0.00 N ATOM 0 H LYS A 85 7.354 -5.107 10.495 1.00 0.00 H new ATOM 0 HA LYS A 85 7.730 -7.207 12.434 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.530 -4.277 12.369 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.866 -5.024 13.808 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.186 -6.472 13.545 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.694 -4.951 12.837 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.170 -4.838 15.436 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.828 -5.405 15.493 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.184 -3.209 13.915 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.773 -2.677 14.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.808 -2.061 15.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.932 -3.169 16.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.299 -3.684 16.014 1.00 0.00 H new ATOM 1359 N ALA A 86 4.722 -6.108 11.778 1.00 0.00 N ATOM 1360 CA ALA A 86 3.310 -6.400 11.949 1.00 0.00 C ATOM 1361 C ALA A 86 3.041 -7.851 11.542 1.00 0.00 C ATOM 1362 O ALA A 86 2.169 -8.508 12.109 1.00 0.00 O ATOM 1363 CB ALA A 86 2.478 -5.405 11.138 1.00 0.00 C ATOM 0 H ALA A 86 4.923 -5.344 11.132 1.00 0.00 H new ATOM 0 HA ALA A 86 3.021 -6.290 12.994 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.419 -5.626 11.268 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.683 -4.392 11.485 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.739 -5.487 10.083 1.00 0.00 H new ATOM 1369 N MET A 87 3.808 -8.310 10.565 1.00 0.00 N ATOM 1370 CA MET A 87 3.664 -9.670 10.076 1.00 0.00 C ATOM 1371 C MET A 87 4.892 -10.513 10.429 1.00 0.00 C ATOM 1372 O MET A 87 5.058 -11.619 9.919 1.00 0.00 O ATOM 1373 CB MET A 87 3.479 -9.650 8.557 1.00 0.00 C ATOM 1374 CG MET A 87 4.809 -9.400 7.844 1.00 0.00 C ATOM 1375 SD MET A 87 4.634 -8.066 6.674 1.00 0.00 S ATOM 1376 CE MET A 87 3.349 -8.733 5.631 1.00 0.00 C ATOM 0 H MET A 87 4.532 -7.764 10.098 1.00 0.00 H new ATOM 0 HA MET A 87 2.791 -10.116 10.552 1.00 0.00 H new ATOM 0 HB2 MET A 87 3.058 -10.600 8.226 1.00 0.00 H new ATOM 0 HB3 MET A 87 2.765 -8.873 8.285 1.00 0.00 H new ATOM 0 HG2 MET A 87 5.581 -9.156 8.573 1.00 0.00 H new ATOM 0 HG3 MET A 87 5.131 -10.306 7.330 1.00 0.00 H new ATOM 0 HE1 MET A 87 3.468 -8.351 4.617 1.00 0.00 H new ATOM 0 HE2 MET A 87 3.418 -9.821 5.619 1.00 0.00 H new ATOM 0 HE3 MET A 87 2.375 -8.436 6.019 1.00 0.00 H new ATOM 1386 N ARG A 88 5.721 -9.956 11.300 1.00 0.00 N ATOM 1387 CA ARG A 88 6.929 -10.642 11.726 1.00 0.00 C ATOM 1388 C ARG A 88 7.356 -11.669 10.676 1.00 0.00 C ATOM 1389 O ARG A 88 7.062 -12.857 10.808 1.00 0.00 O ATOM 1390 CB ARG A 88 6.714 -11.351 13.066 1.00 0.00 C ATOM 1391 CG ARG A 88 7.407 -10.597 14.203 1.00 0.00 C ATOM 1392 CD ARG A 88 7.612 -11.504 15.418 1.00 0.00 C ATOM 1393 NE ARG A 88 8.689 -10.963 16.277 1.00 0.00 N ATOM 1394 CZ ARG A 88 8.905 -11.350 17.553 1.00 0.00 C ATOM 1395 NH1 ARG A 88 8.120 -12.285 18.128 1.00 0.00 N ATOM 1396 NH2 ARG A 88 9.896 -10.801 18.229 1.00 0.00 N ATOM 0 H ARG A 88 5.580 -9.038 11.722 1.00 0.00 H new ATOM 0 HA ARG A 88 7.712 -9.893 11.844 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.647 -11.428 13.274 1.00 0.00 H new ATOM 0 HB3 ARG A 88 7.102 -12.368 13.010 1.00 0.00 H new ATOM 0 HG2 ARG A 88 8.370 -10.220 13.860 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.809 -9.731 14.488 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.685 -11.579 15.987 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.868 -12.512 15.091 1.00 0.00 H new ATOM 0 HE ARG A 88 9.306 -10.254 15.881 1.00 0.00 H new ATOM 0 HH11 ARG A 88 7.356 -12.706 17.599 1.00 0.00 H new ATOM 0 HH12 ARG A 88 8.290 -12.571 19.092 1.00 0.00 H new ATOM 0 HH21 ARG A 88 10.485 -10.096 17.787 1.00 0.00 H new ATOM 0 HH22 ARG A 88 10.073 -11.082 19.193 1.00 0.00 H new ATOM 1409 N LEU A 89 8.043 -11.175 9.657 1.00 0.00 N ATOM 1410 CA LEU A 89 8.514 -12.034 8.585 1.00 0.00 C ATOM 1411 C LEU A 89 10.042 -11.988 8.533 1.00 0.00 C ATOM 1412 O LEU A 89 10.695 -11.768 9.552 1.00 0.00 O ATOM 1413 CB LEU A 89 7.842 -11.659 7.263 1.00 0.00 C ATOM 1414 CG LEU A 89 7.489 -12.824 6.335 1.00 0.00 C ATOM 1415 CD1 LEU A 89 6.587 -13.836 7.045 1.00 0.00 C ATOM 1416 CD2 LEU A 89 6.868 -12.317 5.032 1.00 0.00 C ATOM 0 H LEU A 89 8.285 -10.190 9.551 1.00 0.00 H new ATOM 0 HA LEU A 89 8.233 -13.070 8.776 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.928 -11.109 7.486 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.501 -10.978 6.724 1.00 0.00 H new ATOM 0 HG LEU A 89 8.410 -13.344 6.072 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.351 -14.654 6.364 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.102 -14.231 7.921 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.665 -13.346 7.357 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.626 -13.164 4.390 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.958 -11.760 5.255 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.576 -11.665 4.521 1.00 0.00 H new ATOM 1428 N ARG A 90 10.568 -12.196 7.335 1.00 0.00 N ATOM 1429 CA ARG A 90 12.007 -12.181 7.136 1.00 0.00 C ATOM 1430 C ARG A 90 12.343 -11.692 5.726 1.00 0.00 C ATOM 1431 O ARG A 90 13.266 -10.899 5.543 1.00 0.00 O ATOM 1432 CB ARG A 90 12.607 -13.572 7.343 1.00 0.00 C ATOM 1433 CG ARG A 90 11.709 -14.652 6.737 1.00 0.00 C ATOM 1434 CD ARG A 90 12.315 -16.043 6.931 1.00 0.00 C ATOM 1435 NE ARG A 90 11.707 -16.999 5.979 1.00 0.00 N ATOM 1436 CZ ARG A 90 10.448 -17.474 6.085 1.00 0.00 C ATOM 1437 NH1 ARG A 90 9.653 -17.088 7.103 1.00 0.00 N ATOM 1438 NH2 ARG A 90 10.007 -18.325 5.175 1.00 0.00 N ATOM 0 H ARG A 90 10.023 -12.376 6.492 1.00 0.00 H new ATOM 0 HA ARG A 90 12.436 -11.501 7.872 1.00 0.00 H new ATOM 0 HB2 ARG A 90 13.595 -13.617 6.886 1.00 0.00 H new ATOM 0 HB3 ARG A 90 12.740 -13.760 8.408 1.00 0.00 H new ATOM 0 HG2 ARG A 90 10.724 -14.613 7.201 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.568 -14.458 5.674 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.394 -16.003 6.779 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.149 -16.381 7.954 1.00 0.00 H new ATOM 0 HE ARG A 90 12.274 -17.319 5.194 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.001 -16.432 7.802 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.703 -17.452 7.175 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.615 -18.613 4.408 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.058 -18.694 5.239 1.00 0.00 H new ATOM 1451 N ILE A 91 11.576 -12.185 4.765 1.00 0.00 N ATOM 1452 CA ILE A 91 11.781 -11.809 3.377 1.00 0.00 C ATOM 1453 C ILE A 91 12.111 -10.317 3.300 1.00 0.00 C ATOM 1454 O ILE A 91 12.814 -9.879 2.390 1.00 0.00 O ATOM 1455 CB ILE A 91 10.574 -12.216 2.527 1.00 0.00 C ATOM 1456 CG1 ILE A 91 9.267 -11.995 3.291 1.00 0.00 C ATOM 1457 CG2 ILE A 91 10.713 -13.656 2.033 1.00 0.00 C ATOM 1458 CD1 ILE A 91 8.205 -11.366 2.388 1.00 0.00 C ATOM 0 H ILE A 91 10.811 -12.842 4.920 1.00 0.00 H new ATOM 0 HA ILE A 91 12.632 -12.346 2.959 1.00 0.00 H new ATOM 0 HB ILE A 91 10.544 -11.575 1.646 1.00 0.00 H new ATOM 0 HG12 ILE A 91 8.903 -12.946 3.679 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.448 -11.349 4.150 1.00 0.00 H new ATOM 0 HG21 ILE A 91 9.843 -13.920 1.432 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.614 -13.747 1.427 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.781 -14.329 2.888 1.00 0.00 H new ATOM 0 HD11 ILE A 91 7.286 -11.219 2.955 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.563 -10.404 2.021 1.00 0.00 H new ATOM 0 HD13 ILE A 91 8.009 -12.026 1.543 1.00 0.00 H new ATOM 1470 N VAL A 92 11.588 -9.577 4.268 1.00 0.00 N ATOM 1471 CA VAL A 92 11.820 -8.145 4.322 1.00 0.00 C ATOM 1472 C VAL A 92 12.084 -7.621 2.909 1.00 0.00 C ATOM 1473 O VAL A 92 13.124 -7.019 2.650 1.00 0.00 O ATOM 1474 CB VAL A 92 12.958 -7.834 5.297 1.00 0.00 C ATOM 1475 CG1 VAL A 92 13.229 -6.329 5.362 1.00 0.00 C ATOM 1476 CG2 VAL A 92 12.659 -8.398 6.688 1.00 0.00 C ATOM 0 H VAL A 92 11.005 -9.943 5.020 1.00 0.00 H new ATOM 0 HA VAL A 92 10.937 -7.630 4.700 1.00 0.00 H new ATOM 0 HB VAL A 92 13.859 -8.321 4.925 1.00 0.00 H new ATOM 0 HG11 VAL A 92 14.042 -6.136 6.062 1.00 0.00 H new ATOM 0 HG12 VAL A 92 13.508 -5.966 4.373 1.00 0.00 H new ATOM 0 HG13 VAL A 92 12.330 -5.812 5.698 1.00 0.00 H new ATOM 0 HG21 VAL A 92 13.484 -8.163 7.361 1.00 0.00 H new ATOM 0 HG22 VAL A 92 11.740 -7.954 7.071 1.00 0.00 H new ATOM 0 HG23 VAL A 92 12.540 -9.480 6.624 1.00 0.00 H new ATOM 1486 N PRO A 93 11.097 -7.875 2.008 1.00 0.00 N ATOM 1487 CA PRO A 93 11.211 -7.437 0.627 1.00 0.00 C ATOM 1488 C PRO A 93 10.977 -5.929 0.510 1.00 0.00 C ATOM 1489 O PRO A 93 10.583 -5.281 1.478 1.00 0.00 O ATOM 1490 CB PRO A 93 10.184 -8.259 -0.133 1.00 0.00 C ATOM 1491 CG PRO A 93 9.216 -8.788 0.912 1.00 0.00 C ATOM 1492 CD PRO A 93 9.851 -8.586 2.279 1.00 0.00 C ATOM 0 HA PRO A 93 12.208 -7.594 0.216 1.00 0.00 H new ATOM 0 HB2 PRO A 93 9.665 -7.649 -0.872 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.661 -9.077 -0.673 1.00 0.00 H new ATOM 0 HG2 PRO A 93 8.264 -8.261 0.852 1.00 0.00 H new ATOM 0 HG3 PRO A 93 9.008 -9.844 0.740 1.00 0.00 H new ATOM 0 HD2 PRO A 93 9.201 -8.009 2.936 1.00 0.00 H new ATOM 0 HD3 PRO A 93 10.039 -9.539 2.773 1.00 0.00 H new ATOM 1500 N GLU A 94 11.231 -5.416 -0.684 1.00 0.00 N ATOM 1501 CA GLU A 94 11.052 -3.997 -0.942 1.00 0.00 C ATOM 1502 C GLU A 94 9.568 -3.631 -0.890 1.00 0.00 C ATOM 1503 O GLU A 94 9.000 -3.183 -1.886 1.00 0.00 O ATOM 1504 CB GLU A 94 11.667 -3.600 -2.285 1.00 0.00 C ATOM 1505 CG GLU A 94 12.160 -2.152 -2.258 1.00 0.00 C ATOM 1506 CD GLU A 94 13.129 -1.880 -3.409 1.00 0.00 C ATOM 1507 OE1 GLU A 94 14.276 -2.351 -3.377 1.00 0.00 O ATOM 1508 OE2 GLU A 94 12.653 -1.154 -4.364 1.00 0.00 O ATOM 0 H GLU A 94 11.559 -5.957 -1.484 1.00 0.00 H new ATOM 0 HA GLU A 94 11.572 -3.439 -0.163 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.498 -4.266 -2.519 1.00 0.00 H new ATOM 0 HB3 GLU A 94 10.928 -3.721 -3.077 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.310 -1.474 -2.326 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.654 -1.950 -1.307 1.00 0.00 H new ATOM 1516 N LEU A 95 8.980 -3.836 0.280 1.00 0.00 N ATOM 1517 CA LEU A 95 7.572 -3.532 0.474 1.00 0.00 C ATOM 1518 C LEU A 95 7.355 -2.025 0.331 1.00 0.00 C ATOM 1519 O LEU A 95 7.395 -1.292 1.317 1.00 0.00 O ATOM 1520 CB LEU A 95 7.081 -4.101 1.808 1.00 0.00 C ATOM 1521 CG LEU A 95 5.718 -4.795 1.780 1.00 0.00 C ATOM 1522 CD1 LEU A 95 5.878 -6.312 1.660 1.00 0.00 C ATOM 1523 CD2 LEU A 95 4.877 -4.401 2.996 1.00 0.00 C ATOM 0 H LEU A 95 9.453 -4.209 1.103 1.00 0.00 H new ATOM 0 HA LEU A 95 6.968 -4.015 -0.294 1.00 0.00 H new ATOM 0 HB2 LEU A 95 7.822 -4.813 2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 95 7.038 -3.288 2.533 1.00 0.00 H new ATOM 0 HG LEU A 95 5.180 -4.457 0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.894 -6.781 1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.410 -6.550 0.739 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.443 -6.687 2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.913 -4.908 2.952 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.398 -4.691 3.908 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.720 -3.322 2.996 1.00 0.00 H new ATOM 1535 N THR A 96 7.129 -1.608 -0.906 1.00 0.00 N ATOM 1536 CA THR A 96 6.905 -0.200 -1.191 1.00 0.00 C ATOM 1537 C THR A 96 5.435 0.047 -1.535 1.00 0.00 C ATOM 1538 O THR A 96 4.653 -0.896 -1.650 1.00 0.00 O ATOM 1539 CB THR A 96 7.867 0.214 -2.307 1.00 0.00 C ATOM 1540 OG1 THR A 96 8.355 1.486 -1.889 1.00 0.00 O ATOM 1541 CG2 THR A 96 7.145 0.507 -3.624 1.00 0.00 C ATOM 0 H THR A 96 7.096 -2.219 -1.722 1.00 0.00 H new ATOM 0 HA THR A 96 7.111 0.418 -0.317 1.00 0.00 H new ATOM 0 HB THR A 96 8.602 -0.575 -2.464 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.988 1.828 -2.554 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.873 0.796 -4.382 1.00 0.00 H new ATOM 0 HG22 THR A 96 6.613 -0.385 -3.954 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.434 1.319 -3.476 1.00 0.00 H new ATOM 1549 N PHE A 97 5.102 1.320 -1.685 1.00 0.00 N ATOM 1550 CA PHE A 97 3.738 1.703 -2.013 1.00 0.00 C ATOM 1551 C PHE A 97 3.719 2.818 -3.062 1.00 0.00 C ATOM 1552 O PHE A 97 4.319 3.872 -2.863 1.00 0.00 O ATOM 1553 CB PHE A 97 3.099 2.221 -0.723 1.00 0.00 C ATOM 1554 CG PHE A 97 3.843 3.397 -0.087 1.00 0.00 C ATOM 1555 CD1 PHE A 97 5.101 3.222 0.402 1.00 0.00 C ATOM 1556 CD2 PHE A 97 3.248 4.617 -0.011 1.00 0.00 C ATOM 1557 CE1 PHE A 97 5.791 4.314 0.991 1.00 0.00 C ATOM 1558 CE2 PHE A 97 3.940 5.709 0.580 1.00 0.00 C ATOM 1559 CZ PHE A 97 5.196 5.534 1.068 1.00 0.00 C ATOM 0 H PHE A 97 5.752 2.100 -1.586 1.00 0.00 H new ATOM 0 HA PHE A 97 3.198 0.849 -2.421 1.00 0.00 H new ATOM 0 HB2 PHE A 97 2.074 2.525 -0.934 1.00 0.00 H new ATOM 0 HB3 PHE A 97 3.047 1.405 -0.002 1.00 0.00 H new ATOM 0 HD1 PHE A 97 5.574 2.253 0.342 1.00 0.00 H new ATOM 0 HD2 PHE A 97 2.250 4.756 -0.399 1.00 0.00 H new ATOM 0 HE1 PHE A 97 6.790 4.175 1.378 1.00 0.00 H new ATOM 0 HE2 PHE A 97 3.467 6.678 0.641 1.00 0.00 H new ATOM 0 HZ PHE A 97 5.722 6.364 1.517 1.00 0.00 H new ATOM 1569 N PHE A 98 3.022 2.545 -4.154 1.00 0.00 N ATOM 1570 CA PHE A 98 2.915 3.512 -5.234 1.00 0.00 C ATOM 1571 C PHE A 98 1.675 4.389 -5.064 1.00 0.00 C ATOM 1572 O PHE A 98 0.553 3.887 -5.036 1.00 0.00 O ATOM 1573 CB PHE A 98 2.788 2.715 -6.535 1.00 0.00 C ATOM 1574 CG PHE A 98 3.949 2.925 -7.509 1.00 0.00 C ATOM 1575 CD1 PHE A 98 3.942 3.987 -8.358 1.00 0.00 C ATOM 1576 CD2 PHE A 98 4.988 2.047 -7.526 1.00 0.00 C ATOM 1577 CE1 PHE A 98 5.021 4.181 -9.262 1.00 0.00 C ATOM 1578 CE2 PHE A 98 6.067 2.241 -8.430 1.00 0.00 C ATOM 1579 CZ PHE A 98 6.060 3.304 -9.278 1.00 0.00 C ATOM 0 H PHE A 98 2.526 1.669 -4.315 1.00 0.00 H new ATOM 0 HA PHE A 98 3.789 4.164 -5.239 1.00 0.00 H new ATOM 0 HB2 PHE A 98 2.717 1.654 -6.294 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.857 2.993 -7.030 1.00 0.00 H new ATOM 0 HD1 PHE A 98 3.116 4.683 -8.345 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.993 1.203 -6.853 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.016 5.025 -9.936 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.892 1.545 -8.444 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.880 3.452 -9.965 1.00 0.00 H new ATOM 1589 N TYR A 99 1.918 5.688 -4.955 1.00 0.00 N ATOM 1590 CA TYR A 99 0.834 6.642 -4.789 1.00 0.00 C ATOM 1591 C TYR A 99 0.207 6.999 -6.138 1.00 0.00 C ATOM 1592 O TYR A 99 0.756 7.804 -6.889 1.00 0.00 O ATOM 1593 CB TYR A 99 1.466 7.896 -4.184 1.00 0.00 C ATOM 1594 CG TYR A 99 2.875 7.677 -3.629 1.00 0.00 C ATOM 1595 CD1 TYR A 99 3.128 6.616 -2.785 1.00 0.00 C ATOM 1596 CD2 TYR A 99 3.894 8.543 -3.974 1.00 0.00 C ATOM 1597 CE1 TYR A 99 4.455 6.410 -2.264 1.00 0.00 C ATOM 1598 CE2 TYR A 99 5.220 8.338 -3.451 1.00 0.00 C ATOM 1599 CZ TYR A 99 5.435 7.282 -2.622 1.00 0.00 C ATOM 1600 OH TYR A 99 6.688 7.088 -2.128 1.00 0.00 O ATOM 0 H TYR A 99 2.850 6.102 -4.978 1.00 0.00 H new ATOM 0 HA TYR A 99 0.048 6.225 -4.159 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.504 8.675 -4.946 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.824 8.264 -3.383 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.331 5.939 -2.515 1.00 0.00 H new ATOM 0 HD2 TYR A 99 3.697 9.373 -4.636 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.667 5.582 -1.604 1.00 0.00 H new ATOM 0 HE2 TYR A 99 6.026 9.008 -3.712 1.00 0.00 H new ATOM 0 HH TYR A 99 7.286 7.786 -2.469 1.00 0.00 H new ATOM 1610 N ASP A 100 -0.935 6.384 -6.404 1.00 0.00 N ATOM 1611 CA ASP A 100 -1.644 6.628 -7.650 1.00 0.00 C ATOM 1612 C ASP A 100 -2.910 7.436 -7.360 1.00 0.00 C ATOM 1613 O ASP A 100 -3.969 6.867 -7.101 1.00 0.00 O ATOM 1614 CB ASP A 100 -2.062 5.313 -8.311 1.00 0.00 C ATOM 1615 CG ASP A 100 -1.642 5.163 -9.775 1.00 0.00 C ATOM 1616 OD1 ASP A 100 -2.421 4.698 -10.619 1.00 0.00 O ATOM 1617 OD2 ASP A 100 -0.442 5.553 -10.040 1.00 0.00 O ATOM 0 H ASP A 100 -1.388 5.717 -5.779 1.00 0.00 H new ATOM 0 HA ASP A 100 -0.976 7.171 -8.319 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -1.638 4.486 -7.741 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -3.146 5.221 -8.248 1.00 0.00 H new ATOM 1623 N ASN A 101 -2.759 8.752 -7.417 1.00 0.00 N ATOM 1624 CA ASN A 101 -3.877 9.645 -7.166 1.00 0.00 C ATOM 1625 C ASN A 101 -4.384 10.209 -8.494 1.00 0.00 C ATOM 1626 O ASN A 101 -3.943 9.784 -9.561 1.00 0.00 O ATOM 1627 CB ASN A 101 -3.454 10.820 -6.283 1.00 0.00 C ATOM 1628 CG ASN A 101 -2.311 10.422 -5.347 1.00 0.00 C ATOM 1629 OD1 ASN A 101 -2.377 9.437 -4.631 1.00 0.00 O ATOM 1630 ND2 ASN A 101 -1.264 11.239 -5.394 1.00 0.00 N ATOM 0 H ASN A 101 -1.879 9.220 -7.633 1.00 0.00 H new ATOM 0 HA ASN A 101 -4.656 9.075 -6.660 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -3.141 11.655 -6.909 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -4.306 11.163 -5.696 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -0.449 11.058 -4.807 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -1.275 12.047 -6.017 1.00 0.00 H new ATOM 1637 N SER A 102 -5.301 11.159 -8.387 1.00 0.00 N ATOM 1638 CA SER A 102 -5.871 11.785 -9.567 1.00 0.00 C ATOM 1639 C SER A 102 -5.061 13.028 -9.943 1.00 0.00 C ATOM 1640 O SER A 102 -5.510 13.846 -10.744 1.00 0.00 O ATOM 1641 CB SER A 102 -7.338 12.157 -9.339 1.00 0.00 C ATOM 1642 OG SER A 102 -7.522 13.567 -9.245 1.00 0.00 O ATOM 0 H SER A 102 -5.663 11.510 -7.501 1.00 0.00 H new ATOM 0 HA SER A 102 -5.829 11.069 -10.388 1.00 0.00 H new ATOM 0 HB2 SER A 102 -7.943 11.766 -10.157 1.00 0.00 H new ATOM 0 HB3 SER A 102 -7.694 11.683 -8.425 1.00 0.00 H new ATOM 0 HG SER A 102 -7.132 14.001 -10.032 1.00 0.00 H new ATOM 1648 N LEU A 103 -3.882 13.129 -9.347 1.00 0.00 N ATOM 1649 CA LEU A 103 -3.005 14.257 -9.610 1.00 0.00 C ATOM 1650 C LEU A 103 -1.913 13.831 -10.591 1.00 0.00 C ATOM 1651 O LEU A 103 -1.079 14.643 -10.991 1.00 0.00 O ATOM 1652 CB LEU A 103 -2.464 14.831 -8.298 1.00 0.00 C ATOM 1653 CG LEU A 103 -1.802 16.207 -8.393 1.00 0.00 C ATOM 1654 CD1 LEU A 103 -2.639 17.269 -7.674 1.00 0.00 C ATOM 1655 CD2 LEU A 103 -0.365 16.162 -7.871 1.00 0.00 C ATOM 0 H LEU A 103 -3.514 12.448 -8.683 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.559 15.068 -10.083 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.286 14.893 -7.585 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.739 14.128 -7.888 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.754 16.491 -9.444 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.146 18.238 -7.756 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.627 17.324 -8.131 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.740 17.002 -6.622 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.082 17.153 -7.950 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -0.367 15.847 -6.828 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.215 15.454 -8.463 1.00 0.00 H new ATOM 1667 N VAL A 104 -1.953 12.557 -10.955 1.00 0.00 N ATOM 1668 CA VAL A 104 -0.976 12.014 -11.883 1.00 0.00 C ATOM 1669 C VAL A 104 -1.703 11.260 -12.999 1.00 0.00 C ATOM 1670 O VAL A 104 -1.074 10.762 -13.930 1.00 0.00 O ATOM 1671 CB VAL A 104 0.031 11.140 -11.131 1.00 0.00 C ATOM 1672 CG1 VAL A 104 0.499 9.971 -12.001 1.00 0.00 C ATOM 1673 CG2 VAL A 104 1.219 11.971 -10.643 1.00 0.00 C ATOM 0 H VAL A 104 -2.646 11.886 -10.624 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.406 12.817 -12.350 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.470 10.726 -10.256 1.00 0.00 H new ATOM 0 HG11 VAL A 104 1.214 9.366 -11.443 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -0.358 9.357 -12.278 1.00 0.00 H new ATOM 0 HG13 VAL A 104 0.975 10.356 -12.902 1.00 0.00 H new ATOM 0 HG21 VAL A 104 1.920 11.327 -10.112 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.720 12.426 -11.497 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.865 12.753 -9.972 1.00 0.00 H new ATOM 1683 N GLU A 105 -3.020 11.203 -12.870 1.00 0.00 N ATOM 1684 CA GLU A 105 -3.841 10.520 -13.855 1.00 0.00 C ATOM 1685 C GLU A 105 -5.119 11.315 -14.124 1.00 0.00 C ATOM 1686 O GLU A 105 -5.575 11.397 -15.264 1.00 0.00 O ATOM 1687 CB GLU A 105 -4.167 9.094 -13.405 1.00 0.00 C ATOM 1688 CG GLU A 105 -2.908 8.372 -12.917 1.00 0.00 C ATOM 1689 CD GLU A 105 -2.812 6.969 -13.520 1.00 0.00 C ATOM 1690 OE1 GLU A 105 -3.791 6.208 -13.477 1.00 0.00 O ATOM 1691 OE2 GLU A 105 -1.672 6.680 -14.048 1.00 0.00 O ATOM 0 H GLU A 105 -3.540 11.619 -12.097 1.00 0.00 H new ATOM 0 HA GLU A 105 -3.276 10.452 -14.785 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -4.908 9.121 -12.606 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -4.611 8.540 -14.232 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -2.025 8.950 -13.189 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -2.922 8.304 -11.829 1.00 0.00 H new ATOM 1699 N GLY A 106 -5.662 11.880 -13.056 1.00 0.00 N ATOM 1700 CA GLY A 106 -6.881 12.665 -13.162 1.00 0.00 C ATOM 1701 C GLY A 106 -8.117 11.764 -13.161 1.00 0.00 C ATOM 1702 O GLY A 106 -9.195 12.182 -13.584 1.00 0.00 O ATOM 0 H GLY A 106 -5.281 11.810 -12.113 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -6.938 13.368 -12.331 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -6.858 13.256 -14.078 1.00 0.00 H new ATOM 1706 N MET A 107 -7.920 10.545 -12.681 1.00 0.00 N ATOM 1707 CA MET A 107 -9.006 9.581 -12.619 1.00 0.00 C ATOM 1708 C MET A 107 -8.745 8.531 -11.538 1.00 0.00 C ATOM 1709 O MET A 107 -9.186 7.389 -11.657 1.00 0.00 O ATOM 1710 CB MET A 107 -9.153 8.890 -13.976 1.00 0.00 C ATOM 1711 CG MET A 107 -8.209 7.692 -14.088 1.00 0.00 C ATOM 1712 SD MET A 107 -7.523 7.607 -15.734 1.00 0.00 S ATOM 1713 CE MET A 107 -6.401 8.995 -15.675 1.00 0.00 C ATOM 0 H MET A 107 -7.025 10.203 -12.331 1.00 0.00 H new ATOM 0 HA MET A 107 -9.925 10.112 -12.370 1.00 0.00 H new ATOM 0 HB2 MET A 107 -10.183 8.559 -14.110 1.00 0.00 H new ATOM 0 HB3 MET A 107 -8.940 9.601 -14.775 1.00 0.00 H new ATOM 0 HG2 MET A 107 -7.407 7.781 -13.355 1.00 0.00 H new ATOM 0 HG3 MET A 107 -8.748 6.772 -13.862 1.00 0.00 H new ATOM 0 HE1 MET A 107 -6.707 9.742 -16.408 1.00 0.00 H new ATOM 0 HE2 MET A 107 -6.420 9.436 -14.678 1.00 0.00 H new ATOM 0 HE3 MET A 107 -5.390 8.656 -15.903 1.00 0.00 H new ATOM 1723 N ARG A 108 -8.031 8.955 -10.506 1.00 0.00 N ATOM 1724 CA ARG A 108 -7.706 8.065 -9.404 1.00 0.00 C ATOM 1725 C ARG A 108 -8.165 8.674 -8.077 1.00 0.00 C ATOM 1726 O ARG A 108 -9.280 8.417 -7.625 1.00 0.00 O ATOM 1727 CB ARG A 108 -6.201 7.795 -9.339 1.00 0.00 C ATOM 1728 CG ARG A 108 -5.873 6.388 -9.843 1.00 0.00 C ATOM 1729 CD ARG A 108 -5.263 6.438 -11.246 1.00 0.00 C ATOM 1730 NE ARG A 108 -5.329 5.099 -11.874 1.00 0.00 N ATOM 1731 CZ ARG A 108 -6.459 4.547 -12.365 1.00 0.00 C ATOM 1732 NH1 ARG A 108 -7.630 5.217 -12.304 1.00 0.00 N ATOM 1733 NH2 ARG A 108 -6.402 3.344 -12.905 1.00 0.00 N ATOM 0 H ARG A 108 -7.668 9.903 -10.409 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.226 7.122 -9.575 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -5.669 8.533 -9.940 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -5.852 7.908 -8.313 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -5.177 5.905 -9.157 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -6.779 5.782 -9.858 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -5.798 7.163 -11.859 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.227 6.772 -11.190 1.00 0.00 H new ATOM 0 HE ARG A 108 -4.466 4.559 -11.940 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.665 6.146 -11.885 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -8.480 4.794 -12.677 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.513 2.845 -12.947 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -7.247 2.913 -13.280 1.00 0.00 H new