USER MOD reduce.3.24.130724 H: found=0, std=0, add=1025, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1024 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 41 SER OG : rot -50:sc= 1.24 USER MOD Set 1.2: A 44 ASN : amide:sc= -0.202 K(o=0.49,f=-3.5!) USER MOD Set 1.3: A 119 SER OG : rot 130:sc= -0.551 USER MOD Set 2.1: A 110 HIS : no HD1:sc= -0.017 X(o=-1.7,f=-2) USER MOD Set 2.2: A 113 LYS NZ :NH3+ -110:sc= -1.67 (180deg=-3.42!) USER MOD Set 3.1: A 19 MET CE :methyl -142:sc= -1.43 (180deg=-0.473) USER MOD Set 3.2: A 115 MET CE :methyl -138:sc= -2.84! (180deg=-4.45!) USER MOD Single : A 9 GLN : amide:sc= -0.0454 K(o=-0.045,f=-1.3) USER MOD Single : A 10 GLN :FLIP amide:sc= -0.659 F(o=-2.5,f=-0.66) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.764 F(o=-2.6!,f=-0.76) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 156:sc= -1.34! (180deg=-1.87!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN :FLIP amide:sc= 0 F(o=-0.76,f=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0.043) USER MOD Single : A 80 SER OG : rot 111:sc= -0.879! USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 114:sc= 0.109 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 68:sc= 0.0579 USER MOD Single : A 93 THR OG1 : rot -66:sc= 0.282 USER MOD Single : A 94 HIS : no HE2:sc= 0.0587 K(o=0.059,f=-1.5) USER MOD Single : A 95 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 97 LYS NZ :NH3+ -156:sc= -0.085 (180deg=-0.446) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.298 K(o=-0.3,f=-1.6) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ -130:sc= -0.0488 (180deg=-1.33) USER MOD Single : A 117 SER OG : rot -47:sc= 0.252 USER MOD Single : A 120 TYR OH : rot 180:sc= 0.641 USER MOD Single : A 126 SER OG : rot -150:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -0.0317 K(o=-0.032,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 77 N GLN A 9 -18.882 8.317 2.141 1.00 0.00 N ATOM 78 CA GLN A 9 -19.209 7.714 0.854 1.00 0.00 C ATOM 79 C GLN A 9 -18.597 8.512 -0.292 1.00 0.00 C ATOM 80 O GLN A 9 -17.887 7.961 -1.133 1.00 0.00 O ATOM 81 CB GLN A 9 -20.726 7.628 0.678 1.00 0.00 C ATOM 82 CG GLN A 9 -21.152 7.103 -0.684 1.00 0.00 C ATOM 83 CD GLN A 9 -22.630 6.771 -0.746 1.00 0.00 C ATOM 84 OE1 GLN A 9 -23.343 6.871 0.254 1.00 0.00 O ATOM 85 NE2 GLN A 9 -23.099 6.374 -1.923 1.00 0.00 N ATOM 0 HA GLN A 9 -18.791 6.708 0.836 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -21.137 6.980 1.452 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -21.157 8.618 0.828 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -20.919 7.847 -1.445 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -20.573 6.211 -0.923 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -22.472 6.306 -2.725 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -24.086 6.138 -2.025 1.00 0.00 H new ATOM 94 N GLN A 10 -18.878 9.810 -0.319 1.00 0.00 N ATOM 95 CA GLN A 10 -18.355 10.683 -1.364 1.00 0.00 C ATOM 96 C GLN A 10 -16.830 10.704 -1.343 1.00 0.00 C ATOM 97 O GLN A 10 -16.184 10.600 -2.386 1.00 0.00 O ATOM 98 CB GLN A 10 -18.899 12.103 -1.191 1.00 0.00 C ATOM 99 CG GLN A 10 -20.395 12.215 -1.432 1.00 0.00 C ATOM 100 CD GLN A 10 -20.849 11.440 -2.654 1.00 0.00 C ATOM 101 OE1 GLN A 10 -21.033 10.135 -2.493 1.00 0.00 O flip ATOM 102 NE2 GLN A 10 -21.031 12.008 -3.731 1.00 0.00 N flip ATOM 0 H GLN A 10 -19.464 10.281 0.370 1.00 0.00 H new ATOM 0 HA GLN A 10 -18.681 10.291 -2.327 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -18.675 12.448 -0.182 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -18.378 12.769 -1.879 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -20.929 11.849 -0.555 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -20.662 13.265 -1.552 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -20.877 13.013 -3.810 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -21.335 11.473 -4.545 1.00 0.00 H new ATOM 111 N ARG A 11 -16.261 10.839 -0.149 1.00 0.00 N ATOM 112 CA ARG A 11 -14.812 10.875 0.006 1.00 0.00 C ATOM 113 C ARG A 11 -14.168 9.641 -0.617 1.00 0.00 C ATOM 114 O ARG A 11 -13.182 9.745 -1.348 1.00 0.00 O ATOM 115 CB ARG A 11 -14.439 10.965 1.487 1.00 0.00 C ATOM 116 CG ARG A 11 -12.964 11.238 1.728 1.00 0.00 C ATOM 117 CD ARG A 11 -12.716 11.755 3.137 1.00 0.00 C ATOM 118 NE ARG A 11 -12.874 13.204 3.224 1.00 0.00 N ATOM 119 CZ ARG A 11 -13.416 13.823 4.267 1.00 0.00 C ATOM 120 NH1 ARG A 11 -13.849 13.123 5.305 1.00 0.00 N ATOM 121 NH2 ARG A 11 -13.525 15.145 4.272 1.00 0.00 N ATOM 0 H ARG A 11 -16.781 10.925 0.724 1.00 0.00 H new ATOM 0 HA ARG A 11 -14.438 11.759 -0.511 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -15.027 11.755 1.954 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -14.712 10.032 1.979 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.393 10.323 1.569 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.605 11.968 1.003 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.408 11.273 3.827 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.709 11.481 3.452 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.550 13.772 2.441 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.767 12.106 5.305 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.265 13.601 6.105 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.193 15.687 3.475 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.941 15.619 5.073 1.00 0.00 H new ATOM 135 N VAL A 12 -14.730 8.473 -0.323 1.00 0.00 N ATOM 136 CA VAL A 12 -14.211 7.219 -0.855 1.00 0.00 C ATOM 137 C VAL A 12 -14.025 7.298 -2.366 1.00 0.00 C ATOM 138 O VAL A 12 -12.924 7.097 -2.879 1.00 0.00 O ATOM 139 CB VAL A 12 -15.145 6.040 -0.525 1.00 0.00 C ATOM 140 CG1 VAL A 12 -14.669 4.771 -1.216 1.00 0.00 C ATOM 141 CG2 VAL A 12 -15.234 5.836 0.979 1.00 0.00 C ATOM 0 H VAL A 12 -15.545 8.369 0.281 1.00 0.00 H new ATOM 0 HA VAL A 12 -13.244 7.051 -0.381 1.00 0.00 H new ATOM 0 HB VAL A 12 -16.142 6.275 -0.897 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -15.342 3.949 -0.971 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.662 4.925 -2.295 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.662 4.529 -0.878 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -15.898 4.999 1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -14.242 5.623 1.377 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -15.626 6.739 1.446 1.00 0.00 H new ATOM 151 N LYS A 13 -15.109 7.593 -3.076 1.00 0.00 N ATOM 152 CA LYS A 13 -15.066 7.702 -4.529 1.00 0.00 C ATOM 153 C LYS A 13 -13.838 8.486 -4.981 1.00 0.00 C ATOM 154 O LYS A 13 -13.175 8.115 -5.949 1.00 0.00 O ATOM 155 CB LYS A 13 -16.337 8.380 -5.048 1.00 0.00 C ATOM 156 CG LYS A 13 -16.352 8.571 -6.554 1.00 0.00 C ATOM 157 CD LYS A 13 -16.909 7.350 -7.266 1.00 0.00 C ATOM 158 CE LYS A 13 -16.338 7.214 -8.670 1.00 0.00 C ATOM 159 NZ LYS A 13 -16.388 5.807 -9.155 1.00 0.00 N ATOM 0 H LYS A 13 -16.029 7.761 -2.668 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.004 6.695 -4.942 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -17.202 7.783 -4.757 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -16.443 9.352 -4.566 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.953 9.445 -6.805 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -15.340 8.769 -6.907 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -16.677 6.454 -6.690 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -17.995 7.423 -7.319 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -16.897 7.854 -9.353 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -15.306 7.564 -8.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.990 5.756 -10.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -15.834 5.200 -8.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -17.375 5.481 -9.172 1.00 0.00 H new ATOM 173 N ARG A 14 -13.541 9.570 -4.273 1.00 0.00 N ATOM 174 CA ARG A 14 -12.392 10.406 -4.601 1.00 0.00 C ATOM 175 C ARG A 14 -11.141 9.556 -4.803 1.00 0.00 C ATOM 176 O ARG A 14 -10.307 9.855 -5.657 1.00 0.00 O ATOM 177 CB ARG A 14 -12.150 11.434 -3.495 1.00 0.00 C ATOM 178 CG ARG A 14 -11.260 12.590 -3.922 1.00 0.00 C ATOM 179 CD ARG A 14 -9.807 12.159 -4.043 1.00 0.00 C ATOM 180 NE ARG A 14 -8.885 13.245 -3.720 1.00 0.00 N ATOM 181 CZ ARG A 14 -8.514 14.177 -4.591 1.00 0.00 C ATOM 182 NH1 ARG A 14 -8.984 14.156 -5.830 1.00 0.00 N ATOM 183 NH2 ARG A 14 -7.671 15.133 -4.222 1.00 0.00 N ATOM 0 H ARG A 14 -14.080 9.890 -3.468 1.00 0.00 H new ATOM 0 HA ARG A 14 -12.609 10.929 -5.532 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -13.110 11.829 -3.162 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -11.696 10.934 -2.639 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -11.605 12.982 -4.879 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -11.341 13.400 -3.197 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -9.622 11.316 -3.377 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -9.616 11.811 -5.058 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.505 13.290 -2.774 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.632 13.423 -6.117 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -8.697 14.873 -6.496 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -7.307 15.153 -3.269 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -7.386 15.848 -4.891 1.00 0.00 H new ATOM 197 N TRP A 15 -11.019 8.496 -4.011 1.00 0.00 N ATOM 198 CA TRP A 15 -9.869 7.603 -4.103 1.00 0.00 C ATOM 199 C TRP A 15 -9.985 6.691 -5.319 1.00 0.00 C ATOM 200 O TRP A 15 -9.312 5.664 -5.402 1.00 0.00 O ATOM 201 CB TRP A 15 -9.747 6.764 -2.830 1.00 0.00 C ATOM 202 CG TRP A 15 -10.201 7.486 -1.597 1.00 0.00 C ATOM 203 CD1 TRP A 15 -10.066 8.818 -1.331 1.00 0.00 C ATOM 204 CD2 TRP A 15 -10.862 6.913 -0.464 1.00 0.00 C ATOM 205 NE1 TRP A 15 -10.603 9.108 -0.100 1.00 0.00 N ATOM 206 CE2 TRP A 15 -11.099 7.957 0.452 1.00 0.00 C ATOM 207 CE3 TRP A 15 -11.279 5.620 -0.134 1.00 0.00 C ATOM 208 CZ2 TRP A 15 -11.732 7.745 1.674 1.00 0.00 C ATOM 209 CZ3 TRP A 15 -11.907 5.412 1.079 1.00 0.00 C ATOM 210 CH2 TRP A 15 -12.129 6.470 1.971 1.00 0.00 C ATOM 0 H TRP A 15 -11.701 8.234 -3.299 1.00 0.00 H new ATOM 0 HA TRP A 15 -8.973 8.214 -4.215 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -10.334 5.853 -2.946 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -8.708 6.459 -2.702 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -9.605 9.538 -1.991 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -10.628 10.031 0.333 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -11.113 4.798 -0.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -11.904 8.559 2.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -12.232 4.417 1.344 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -12.623 6.275 2.911 1.00 0.00 H new ATOM 221 N GLY A 16 -10.842 7.072 -6.261 1.00 0.00 N ATOM 222 CA GLY A 16 -11.029 6.276 -7.460 1.00 0.00 C ATOM 223 C GLY A 16 -10.192 6.773 -8.622 1.00 0.00 C ATOM 224 O GLY A 16 -10.514 6.517 -9.782 1.00 0.00 O ATOM 0 H GLY A 16 -11.410 7.918 -6.215 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.771 5.239 -7.248 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.082 6.291 -7.742 1.00 0.00 H new ATOM 228 N PHE A 17 -9.115 7.486 -8.311 1.00 0.00 N ATOM 229 CA PHE A 17 -8.230 8.023 -9.338 1.00 0.00 C ATOM 230 C PHE A 17 -6.767 7.807 -8.963 1.00 0.00 C ATOM 231 O PHE A 17 -6.214 8.530 -8.136 1.00 0.00 O ATOM 232 CB PHE A 17 -8.501 9.514 -9.546 1.00 0.00 C ATOM 233 CG PHE A 17 -9.959 9.845 -9.689 1.00 0.00 C ATOM 234 CD1 PHE A 17 -10.638 9.546 -10.859 1.00 0.00 C ATOM 235 CD2 PHE A 17 -10.649 10.456 -8.655 1.00 0.00 C ATOM 236 CE1 PHE A 17 -11.980 9.849 -10.994 1.00 0.00 C ATOM 237 CE2 PHE A 17 -11.991 10.761 -8.784 1.00 0.00 C ATOM 238 CZ PHE A 17 -12.657 10.458 -9.956 1.00 0.00 C ATOM 0 H PHE A 17 -8.834 7.706 -7.355 1.00 0.00 H new ATOM 0 HA PHE A 17 -8.430 7.492 -10.268 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.092 10.070 -8.703 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -7.971 9.850 -10.437 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.113 9.071 -11.675 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -10.133 10.697 -7.738 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -12.499 9.610 -11.911 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -12.518 11.236 -7.970 1.00 0.00 H new ATOM 0 HZ PHE A 17 -13.705 10.697 -10.060 1.00 0.00 H new ATOM 248 N GLY A 18 -6.146 6.805 -9.578 1.00 0.00 N ATOM 249 CA GLY A 18 -4.754 6.510 -9.296 1.00 0.00 C ATOM 250 C GLY A 18 -4.514 6.185 -7.835 1.00 0.00 C ATOM 251 O GLY A 18 -5.370 5.597 -7.175 1.00 0.00 O ATOM 0 H GLY A 18 -6.583 6.192 -10.267 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.433 5.668 -9.910 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.140 7.365 -9.580 1.00 0.00 H new ATOM 255 N MET A 19 -3.347 6.569 -7.329 1.00 0.00 N ATOM 256 CA MET A 19 -2.998 6.314 -5.936 1.00 0.00 C ATOM 257 C MET A 19 -2.847 7.622 -5.165 1.00 0.00 C ATOM 258 O MET A 19 -3.186 7.700 -3.984 1.00 0.00 O ATOM 259 CB MET A 19 -1.701 5.507 -5.852 1.00 0.00 C ATOM 260 CG MET A 19 -1.369 5.033 -4.446 1.00 0.00 C ATOM 261 SD MET A 19 -0.393 3.518 -4.437 1.00 0.00 S ATOM 262 CE MET A 19 1.033 4.027 -5.393 1.00 0.00 C ATOM 0 H MET A 19 -2.627 7.057 -7.862 1.00 0.00 H new ATOM 0 HA MET A 19 -3.806 5.738 -5.485 1.00 0.00 H new ATOM 0 HB2 MET A 19 -1.778 4.641 -6.510 1.00 0.00 H new ATOM 0 HB3 MET A 19 -0.878 6.117 -6.224 1.00 0.00 H new ATOM 0 HG2 MET A 19 -0.821 5.817 -3.922 1.00 0.00 H new ATOM 0 HG3 MET A 19 -2.294 4.868 -3.894 1.00 0.00 H new ATOM 0 HE1 MET A 19 1.356 3.204 -6.030 1.00 0.00 H new ATOM 0 HE2 MET A 19 0.768 4.884 -6.013 1.00 0.00 H new ATOM 0 HE3 MET A 19 1.843 4.304 -4.719 1.00 0.00 H new ATOM 272 N ASP A 20 -2.338 8.646 -5.841 1.00 0.00 N ATOM 273 CA ASP A 20 -2.143 9.951 -5.220 1.00 0.00 C ATOM 274 C ASP A 20 -3.232 10.229 -4.187 1.00 0.00 C ATOM 275 O ASP A 20 -2.972 10.236 -2.985 1.00 0.00 O ATOM 276 CB ASP A 20 -2.139 11.050 -6.283 1.00 0.00 C ATOM 277 CG ASP A 20 -2.553 12.397 -5.725 1.00 0.00 C ATOM 278 OD1 ASP A 20 -1.682 13.106 -5.179 1.00 0.00 O ATOM 279 OD2 ASP A 20 -3.748 12.743 -5.833 1.00 0.00 O ATOM 0 H ASP A 20 -2.053 8.598 -6.819 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.178 9.944 -4.712 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.141 11.130 -6.715 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.815 10.772 -7.092 1.00 0.00 H new ATOM 284 N GLU A 21 -4.450 10.458 -4.667 1.00 0.00 N ATOM 285 CA GLU A 21 -5.577 10.739 -3.785 1.00 0.00 C ATOM 286 C GLU A 21 -5.693 9.676 -2.696 1.00 0.00 C ATOM 287 O GLU A 21 -6.121 9.962 -1.578 1.00 0.00 O ATOM 288 CB GLU A 21 -6.878 10.806 -4.588 1.00 0.00 C ATOM 289 CG GLU A 21 -6.847 9.984 -5.866 1.00 0.00 C ATOM 290 CD GLU A 21 -6.323 8.579 -5.642 1.00 0.00 C ATOM 291 OE1 GLU A 21 -7.083 7.736 -5.122 1.00 0.00 O ATOM 292 OE2 GLU A 21 -5.150 8.322 -5.989 1.00 0.00 O ATOM 0 H GLU A 21 -4.682 10.455 -5.660 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.402 11.704 -3.310 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.700 10.458 -3.962 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.087 11.846 -4.840 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.852 9.931 -6.284 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.222 10.488 -6.603 1.00 0.00 H new ATOM 299 N ALA A 22 -5.311 8.449 -3.032 1.00 0.00 N ATOM 300 CA ALA A 22 -5.371 7.343 -2.084 1.00 0.00 C ATOM 301 C ALA A 22 -4.386 7.549 -0.938 1.00 0.00 C ATOM 302 O ALA A 22 -4.662 7.181 0.205 1.00 0.00 O ATOM 303 CB ALA A 22 -5.092 6.025 -2.791 1.00 0.00 C ATOM 0 H ALA A 22 -4.956 8.195 -3.954 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.376 7.311 -1.664 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.140 5.208 -2.071 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.837 5.866 -3.571 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.099 6.056 -3.239 1.00 0.00 H new ATOM 309 N LEU A 23 -3.237 8.139 -1.250 1.00 0.00 N ATOM 310 CA LEU A 23 -2.210 8.393 -0.245 1.00 0.00 C ATOM 311 C LEU A 23 -2.525 9.658 0.547 1.00 0.00 C ATOM 312 O LEU A 23 -2.333 9.707 1.762 1.00 0.00 O ATOM 313 CB LEU A 23 -0.839 8.523 -0.911 1.00 0.00 C ATOM 314 CG LEU A 23 -0.491 7.451 -1.944 1.00 0.00 C ATOM 315 CD1 LEU A 23 0.466 8.006 -2.988 1.00 0.00 C ATOM 316 CD2 LEU A 23 0.111 6.230 -1.263 1.00 0.00 C ATOM 0 H LEU A 23 -2.993 8.450 -2.190 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.194 7.549 0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.784 9.498 -1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.076 8.510 -0.132 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.409 7.147 -2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.702 7.229 -3.715 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.000 8.849 -3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.383 8.338 -2.501 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.353 5.477 -2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.019 6.519 -0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.607 5.818 -0.554 1.00 0.00 H new ATOM 328 N LYS A 24 -3.013 10.680 -0.149 1.00 0.00 N ATOM 329 CA LYS A 24 -3.358 11.945 0.488 1.00 0.00 C ATOM 330 C LYS A 24 -4.058 11.708 1.823 1.00 0.00 C ATOM 331 O LYS A 24 -3.532 12.057 2.880 1.00 0.00 O ATOM 332 CB LYS A 24 -4.258 12.774 -0.431 1.00 0.00 C ATOM 333 CG LYS A 24 -3.616 13.114 -1.765 1.00 0.00 C ATOM 334 CD LYS A 24 -2.622 14.256 -1.630 1.00 0.00 C ATOM 335 CE LYS A 24 -1.222 13.742 -1.331 1.00 0.00 C ATOM 336 NZ LYS A 24 -0.172 14.643 -1.883 1.00 0.00 N ATOM 0 H LYS A 24 -3.178 10.656 -1.155 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.435 12.494 0.673 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.183 12.226 -0.611 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.530 13.699 0.078 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.109 12.234 -2.161 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.389 13.386 -2.483 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.608 14.839 -2.551 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.943 14.927 -0.833 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.091 13.650 -0.253 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.103 12.744 -1.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.768 14.259 -1.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.281 14.711 -2.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.269 15.589 -1.461 1.00 0.00 H new ATOM 350 N ASP A 25 -5.244 11.113 1.767 1.00 0.00 N ATOM 351 CA ASP A 25 -6.014 10.827 2.972 1.00 0.00 C ATOM 352 C ASP A 25 -5.438 9.624 3.712 1.00 0.00 C ATOM 353 O ASP A 25 -4.860 8.715 3.115 1.00 0.00 O ATOM 354 CB ASP A 25 -7.479 10.570 2.617 1.00 0.00 C ATOM 355 CG ASP A 25 -8.273 11.854 2.469 1.00 0.00 C ATOM 356 OD1 ASP A 25 -8.037 12.791 3.260 1.00 0.00 O ATOM 357 OD2 ASP A 25 -9.129 11.921 1.563 1.00 0.00 O ATOM 0 H ASP A 25 -5.694 10.819 0.900 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.954 11.696 3.627 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.531 10.005 1.686 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.934 9.952 3.391 1.00 0.00 H new ATOM 362 N PRO A 26 -5.597 9.617 5.044 1.00 0.00 N ATOM 363 CA PRO A 26 -5.100 8.531 5.895 1.00 0.00 C ATOM 364 C PRO A 26 -5.879 7.235 5.696 1.00 0.00 C ATOM 365 O PRO A 26 -5.294 6.177 5.467 1.00 0.00 O ATOM 366 CB PRO A 26 -5.308 9.068 7.313 1.00 0.00 C ATOM 367 CG PRO A 26 -6.420 10.051 7.186 1.00 0.00 C ATOM 368 CD PRO A 26 -6.276 10.667 5.822 1.00 0.00 C ATOM 0 HA PRO A 26 -4.064 8.277 5.668 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -5.565 8.267 8.006 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.403 9.541 7.694 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.388 9.561 7.292 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.360 10.811 7.965 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.244 10.923 5.392 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -5.690 11.585 5.855 1.00 0.00 H new ATOM 376 N VAL A 27 -7.202 7.326 5.784 1.00 0.00 N ATOM 377 CA VAL A 27 -8.061 6.161 5.612 1.00 0.00 C ATOM 378 C VAL A 27 -7.758 5.443 4.302 1.00 0.00 C ATOM 379 O VAL A 27 -7.623 4.221 4.268 1.00 0.00 O ATOM 380 CB VAL A 27 -9.550 6.553 5.638 1.00 0.00 C ATOM 381 CG1 VAL A 27 -10.429 5.329 5.430 1.00 0.00 C ATOM 382 CG2 VAL A 27 -9.895 7.251 6.945 1.00 0.00 C ATOM 0 H VAL A 27 -7.702 8.195 5.973 1.00 0.00 H new ATOM 0 HA VAL A 27 -7.855 5.490 6.446 1.00 0.00 H new ATOM 0 HB VAL A 27 -9.738 7.249 4.820 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -11.478 5.626 5.452 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.200 4.876 4.465 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.240 4.606 6.224 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.951 7.521 6.946 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.691 6.581 7.780 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.290 8.152 7.047 1.00 0.00 H new ATOM 392 N GLY A 28 -7.653 6.213 3.222 1.00 0.00 N ATOM 393 CA GLY A 28 -7.366 5.633 1.923 1.00 0.00 C ATOM 394 C GLY A 28 -6.038 4.903 1.894 1.00 0.00 C ATOM 395 O GLY A 28 -5.876 3.924 1.165 1.00 0.00 O ATOM 0 H GLY A 28 -7.762 7.227 3.224 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -8.164 4.941 1.654 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -7.360 6.421 1.170 1.00 0.00 H new ATOM 399 N ARG A 29 -5.085 5.380 2.689 1.00 0.00 N ATOM 400 CA ARG A 29 -3.764 4.767 2.749 1.00 0.00 C ATOM 401 C ARG A 29 -3.838 3.372 3.364 1.00 0.00 C ATOM 402 O ARG A 29 -3.293 2.414 2.818 1.00 0.00 O ATOM 403 CB ARG A 29 -2.808 5.644 3.561 1.00 0.00 C ATOM 404 CG ARG A 29 -2.045 6.654 2.720 1.00 0.00 C ATOM 405 CD ARG A 29 -0.955 7.340 3.528 1.00 0.00 C ATOM 406 NE ARG A 29 -1.504 8.292 4.490 1.00 0.00 N ATOM 407 CZ ARG A 29 -0.770 9.198 5.128 1.00 0.00 C ATOM 408 NH1 ARG A 29 0.535 9.274 4.907 1.00 0.00 N ATOM 409 NH2 ARG A 29 -1.343 10.029 5.989 1.00 0.00 N ATOM 0 H ARG A 29 -5.203 6.188 3.300 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.387 4.676 1.730 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.376 6.175 4.325 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.095 5.004 4.081 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.601 6.152 1.860 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.736 7.402 2.331 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.368 6.589 4.056 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.275 7.859 2.852 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.505 8.260 4.683 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.978 8.636 4.246 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.096 9.970 5.398 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.347 9.973 6.161 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.780 10.724 6.479 1.00 0.00 H new ATOM 423 N GLU A 30 -4.517 3.269 4.502 1.00 0.00 N ATOM 424 CA GLU A 30 -4.661 1.992 5.191 1.00 0.00 C ATOM 425 C GLU A 30 -5.606 1.066 4.429 1.00 0.00 C ATOM 426 O GLU A 30 -5.326 -0.121 4.262 1.00 0.00 O ATOM 427 CB GLU A 30 -5.180 2.210 6.614 1.00 0.00 C ATOM 428 CG GLU A 30 -6.694 2.304 6.701 1.00 0.00 C ATOM 429 CD GLU A 30 -7.178 2.635 8.099 1.00 0.00 C ATOM 430 OE1 GLU A 30 -6.553 3.495 8.755 1.00 0.00 O ATOM 431 OE2 GLU A 30 -8.182 2.035 8.538 1.00 0.00 O ATOM 0 H GLU A 30 -4.975 4.053 4.966 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.679 1.521 5.239 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.838 1.390 7.246 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.744 3.125 7.015 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.047 3.067 6.008 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.132 1.358 6.383 1.00 0.00 H new ATOM 438 N GLN A 31 -6.724 1.619 3.971 1.00 0.00 N ATOM 439 CA GLN A 31 -7.711 0.843 3.229 1.00 0.00 C ATOM 440 C GLN A 31 -7.065 0.133 2.043 1.00 0.00 C ATOM 441 O GLN A 31 -7.097 -1.094 1.949 1.00 0.00 O ATOM 442 CB GLN A 31 -8.842 1.750 2.741 1.00 0.00 C ATOM 443 CG GLN A 31 -9.789 2.188 3.846 1.00 0.00 C ATOM 444 CD GLN A 31 -10.422 1.017 4.571 1.00 0.00 C ATOM 445 OE1 GLN A 31 -9.682 0.427 5.502 1.00 0.00 O flip ATOM 446 NE2 GLN A 31 -11.564 0.646 4.296 1.00 0.00 N flip ATOM 0 H GLN A 31 -6.969 2.601 4.100 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.123 0.089 3.900 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.411 2.634 2.272 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.411 1.226 1.973 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.245 2.803 4.563 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.573 2.814 3.420 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.097 1.129 3.573 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.977 -0.144 4.792 1.00 0.00 H new ATOM 455 N PHE A 32 -6.479 0.913 1.140 1.00 0.00 N ATOM 456 CA PHE A 32 -5.827 0.359 -0.040 1.00 0.00 C ATOM 457 C PHE A 32 -4.801 -0.700 0.352 1.00 0.00 C ATOM 458 O PHE A 32 -4.633 -1.705 -0.340 1.00 0.00 O ATOM 459 CB PHE A 32 -5.148 1.471 -0.843 1.00 0.00 C ATOM 460 CG PHE A 32 -4.202 0.961 -1.892 1.00 0.00 C ATOM 461 CD1 PHE A 32 -4.633 0.061 -2.853 1.00 0.00 C ATOM 462 CD2 PHE A 32 -2.883 1.382 -1.918 1.00 0.00 C ATOM 463 CE1 PHE A 32 -3.765 -0.410 -3.820 1.00 0.00 C ATOM 464 CE2 PHE A 32 -2.009 0.915 -2.882 1.00 0.00 C ATOM 465 CZ PHE A 32 -2.452 0.018 -3.835 1.00 0.00 C ATOM 0 H PHE A 32 -6.443 1.930 1.203 1.00 0.00 H new ATOM 0 HA PHE A 32 -6.591 -0.112 -0.659 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -5.913 2.082 -1.322 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.603 2.121 -0.159 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.659 -0.276 -2.846 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.533 2.084 -1.176 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.113 -1.112 -4.563 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.982 1.251 -2.890 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.773 -0.348 -4.591 1.00 0.00 H new ATOM 475 N LEU A 33 -4.115 -0.467 1.466 1.00 0.00 N ATOM 476 CA LEU A 33 -3.104 -1.399 1.951 1.00 0.00 C ATOM 477 C LEU A 33 -3.725 -2.754 2.278 1.00 0.00 C ATOM 478 O LEU A 33 -3.318 -3.782 1.737 1.00 0.00 O ATOM 479 CB LEU A 33 -2.411 -0.831 3.191 1.00 0.00 C ATOM 480 CG LEU A 33 -1.718 -1.848 4.098 1.00 0.00 C ATOM 481 CD1 LEU A 33 -0.283 -2.074 3.648 1.00 0.00 C ATOM 482 CD2 LEU A 33 -1.758 -1.385 5.547 1.00 0.00 C ATOM 0 H LEU A 33 -4.241 0.360 2.050 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.366 -1.539 1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.670 -0.100 2.866 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.152 -0.293 3.782 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.253 -2.795 4.025 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.194 -2.801 4.305 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.277 -2.451 2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.264 -1.132 3.690 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.260 -2.121 6.178 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.248 -0.426 5.637 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.795 -1.276 5.866 1.00 0.00 H new ATOM 494 N LYS A 34 -4.714 -2.747 3.165 1.00 0.00 N ATOM 495 CA LYS A 34 -5.395 -3.974 3.563 1.00 0.00 C ATOM 496 C LYS A 34 -5.503 -4.940 2.388 1.00 0.00 C ATOM 497 O LYS A 34 -5.094 -6.098 2.483 1.00 0.00 O ATOM 498 CB LYS A 34 -6.790 -3.655 4.105 1.00 0.00 C ATOM 499 CG LYS A 34 -6.778 -2.709 5.294 1.00 0.00 C ATOM 500 CD LYS A 34 -8.052 -2.830 6.114 1.00 0.00 C ATOM 501 CE LYS A 34 -8.088 -1.808 7.240 1.00 0.00 C ATOM 502 NZ LYS A 34 -7.445 -2.325 8.480 1.00 0.00 N ATOM 0 H LYS A 34 -5.062 -1.905 3.623 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.807 -4.448 4.349 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.389 -3.215 3.307 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.279 -4.585 4.396 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.916 -2.926 5.925 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.666 -1.683 4.943 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.918 -2.690 5.466 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.124 -3.835 6.530 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.581 -0.898 6.920 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.123 -1.538 7.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.490 -1.599 9.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.944 -3.179 8.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.451 -2.558 8.284 1.00 0.00 H new ATOM 516 N PHE A 35 -6.056 -4.458 1.280 1.00 0.00 N ATOM 517 CA PHE A 35 -6.218 -5.280 0.086 1.00 0.00 C ATOM 518 C PHE A 35 -4.877 -5.849 -0.368 1.00 0.00 C ATOM 519 O PHE A 35 -4.727 -7.061 -0.532 1.00 0.00 O ATOM 520 CB PHE A 35 -6.845 -4.459 -1.043 1.00 0.00 C ATOM 521 CG PHE A 35 -6.702 -5.094 -2.397 1.00 0.00 C ATOM 522 CD1 PHE A 35 -7.590 -6.072 -2.815 1.00 0.00 C ATOM 523 CD2 PHE A 35 -5.679 -4.714 -3.251 1.00 0.00 C ATOM 524 CE1 PHE A 35 -7.462 -6.658 -4.060 1.00 0.00 C ATOM 525 CE2 PHE A 35 -5.546 -5.297 -4.497 1.00 0.00 C ATOM 526 CZ PHE A 35 -6.438 -6.271 -4.902 1.00 0.00 C ATOM 0 H PHE A 35 -6.400 -3.502 1.184 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.880 -6.110 0.333 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -7.904 -4.312 -0.830 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -6.384 -3.472 -1.063 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -8.392 -6.380 -2.160 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.978 -3.954 -2.939 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -8.162 -7.418 -4.374 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -4.745 -4.991 -5.154 1.00 0.00 H new ATOM 0 HZ PHE A 35 -6.335 -6.729 -5.875 1.00 0.00 H new ATOM 536 N LEU A 36 -3.905 -4.967 -0.571 1.00 0.00 N ATOM 537 CA LEU A 36 -2.575 -5.380 -1.007 1.00 0.00 C ATOM 538 C LEU A 36 -2.145 -6.663 -0.303 1.00 0.00 C ATOM 539 O LEU A 36 -1.728 -7.625 -0.946 1.00 0.00 O ATOM 540 CB LEU A 36 -1.559 -4.270 -0.734 1.00 0.00 C ATOM 541 CG LEU A 36 -1.811 -2.940 -1.445 1.00 0.00 C ATOM 542 CD1 LEU A 36 -0.717 -1.939 -1.107 1.00 0.00 C ATOM 543 CD2 LEU A 36 -1.898 -3.149 -2.950 1.00 0.00 C ATOM 0 H LEU A 36 -4.012 -3.961 -0.441 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.615 -5.572 -2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.532 -4.086 0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.571 -4.631 -1.020 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.763 -2.538 -1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.913 -0.998 -1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.701 -1.767 -0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.248 -2.333 -1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.078 -2.192 -3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.962 -3.573 -3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.717 -3.832 -3.176 1.00 0.00 H new ATOM 555 N GLU A 37 -2.253 -6.669 1.022 1.00 0.00 N ATOM 556 CA GLU A 37 -1.877 -7.835 1.813 1.00 0.00 C ATOM 557 C GLU A 37 -2.421 -9.116 1.187 1.00 0.00 C ATOM 558 O GLU A 37 -1.738 -10.139 1.147 1.00 0.00 O ATOM 559 CB GLU A 37 -2.393 -7.695 3.247 1.00 0.00 C ATOM 560 CG GLU A 37 -1.753 -6.552 4.015 1.00 0.00 C ATOM 561 CD GLU A 37 -2.013 -6.634 5.507 1.00 0.00 C ATOM 562 OE1 GLU A 37 -3.097 -7.117 5.894 1.00 0.00 O ATOM 563 OE2 GLU A 37 -1.132 -6.215 6.287 1.00 0.00 O ATOM 0 H GLU A 37 -2.597 -5.880 1.570 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.789 -7.894 1.831 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.472 -7.546 3.223 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.212 -8.627 3.782 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.678 -6.556 3.837 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.135 -5.605 3.635 1.00 0.00 H new ATOM 570 N SER A 38 -3.657 -9.051 0.701 1.00 0.00 N ATOM 571 CA SER A 38 -4.296 -10.206 0.081 1.00 0.00 C ATOM 572 C SER A 38 -3.509 -10.672 -1.140 1.00 0.00 C ATOM 573 O SER A 38 -3.216 -11.858 -1.287 1.00 0.00 O ATOM 574 CB SER A 38 -5.731 -9.866 -0.322 1.00 0.00 C ATOM 575 OG SER A 38 -6.471 -11.039 -0.614 1.00 0.00 O ATOM 0 H SER A 38 -4.235 -8.211 0.725 1.00 0.00 H new ATOM 0 HA SER A 38 -4.314 -11.016 0.811 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.218 -9.317 0.484 1.00 0.00 H new ATOM 0 HB3 SER A 38 -5.722 -9.212 -1.194 1.00 0.00 H new ATOM 0 HG SER A 38 -7.386 -10.794 -0.867 1.00 0.00 H new ATOM 581 N GLU A 39 -3.170 -9.728 -2.013 1.00 0.00 N ATOM 582 CA GLU A 39 -2.418 -10.042 -3.222 1.00 0.00 C ATOM 583 C GLU A 39 -0.923 -10.126 -2.927 1.00 0.00 C ATOM 584 O GLU A 39 -0.095 -10.085 -3.837 1.00 0.00 O ATOM 585 CB GLU A 39 -2.677 -8.986 -4.299 1.00 0.00 C ATOM 586 CG GLU A 39 -2.131 -7.612 -3.948 1.00 0.00 C ATOM 587 CD GLU A 39 -1.831 -6.773 -5.175 1.00 0.00 C ATOM 588 OE1 GLU A 39 -0.919 -7.148 -5.941 1.00 0.00 O ATOM 589 OE2 GLU A 39 -2.508 -5.742 -5.370 1.00 0.00 O ATOM 0 H GLU A 39 -3.404 -8.741 -1.906 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.754 -11.013 -3.586 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.229 -9.317 -5.236 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.751 -8.908 -4.469 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.852 -7.088 -3.321 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.221 -7.726 -3.359 1.00 0.00 H new ATOM 596 N PHE A 40 -0.585 -10.245 -1.647 1.00 0.00 N ATOM 597 CA PHE A 40 0.810 -10.333 -1.230 1.00 0.00 C ATOM 598 C PHE A 40 1.628 -9.187 -1.819 1.00 0.00 C ATOM 599 O PHE A 40 2.782 -9.369 -2.206 1.00 0.00 O ATOM 600 CB PHE A 40 1.408 -11.675 -1.659 1.00 0.00 C ATOM 601 CG PHE A 40 0.955 -12.831 -0.814 1.00 0.00 C ATOM 602 CD1 PHE A 40 -0.355 -13.280 -0.877 1.00 0.00 C ATOM 603 CD2 PHE A 40 1.838 -13.469 0.042 1.00 0.00 C ATOM 604 CE1 PHE A 40 -0.775 -14.343 -0.100 1.00 0.00 C ATOM 605 CE2 PHE A 40 1.423 -14.533 0.821 1.00 0.00 C ATOM 606 CZ PHE A 40 0.116 -14.971 0.749 1.00 0.00 C ATOM 0 H PHE A 40 -1.258 -10.283 -0.881 1.00 0.00 H new ATOM 0 HA PHE A 40 0.844 -10.258 -0.143 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.140 -11.868 -2.698 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.495 -11.609 -1.617 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.055 -12.794 -1.540 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.862 -13.131 0.101 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.799 -14.682 -0.156 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.121 -15.021 1.485 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.210 -15.803 1.355 1.00 0.00 H new ATOM 616 N SER A 41 1.020 -8.007 -1.884 1.00 0.00 N ATOM 617 CA SER A 41 1.689 -6.832 -2.430 1.00 0.00 C ATOM 618 C SER A 41 1.824 -5.743 -1.370 1.00 0.00 C ATOM 619 O SER A 41 2.053 -4.576 -1.689 1.00 0.00 O ATOM 620 CB SER A 41 0.916 -6.293 -3.636 1.00 0.00 C ATOM 621 OG SER A 41 1.500 -5.097 -4.123 1.00 0.00 O ATOM 0 H SER A 41 0.066 -7.839 -1.565 1.00 0.00 H new ATOM 0 HA SER A 41 2.688 -7.129 -2.751 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.901 -7.043 -4.427 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.120 -6.107 -3.354 1.00 0.00 H new ATOM 0 HG SER A 41 1.642 -4.476 -3.379 1.00 0.00 H new ATOM 627 N SER A 42 1.679 -6.133 -0.108 1.00 0.00 N ATOM 628 CA SER A 42 1.781 -5.190 1.000 1.00 0.00 C ATOM 629 C SER A 42 3.173 -4.568 1.058 1.00 0.00 C ATOM 630 O SER A 42 3.323 -3.386 1.365 1.00 0.00 O ATOM 631 CB SER A 42 1.467 -5.890 2.323 1.00 0.00 C ATOM 632 OG SER A 42 2.467 -6.840 2.648 1.00 0.00 O ATOM 0 H SER A 42 1.491 -7.095 0.173 1.00 0.00 H new ATOM 0 HA SER A 42 1.054 -4.395 0.836 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.391 -5.150 3.120 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.499 -6.386 2.255 1.00 0.00 H new ATOM 0 HG SER A 42 2.244 -7.272 3.499 1.00 0.00 H new ATOM 638 N GLU A 43 4.187 -5.375 0.761 1.00 0.00 N ATOM 639 CA GLU A 43 5.567 -4.904 0.781 1.00 0.00 C ATOM 640 C GLU A 43 5.763 -3.752 -0.200 1.00 0.00 C ATOM 641 O GLU A 43 6.347 -2.724 0.142 1.00 0.00 O ATOM 642 CB GLU A 43 6.524 -6.048 0.439 1.00 0.00 C ATOM 643 CG GLU A 43 6.173 -6.770 -0.851 1.00 0.00 C ATOM 644 CD GLU A 43 7.100 -7.936 -1.138 1.00 0.00 C ATOM 645 OE1 GLU A 43 7.382 -8.712 -0.201 1.00 0.00 O ATOM 646 OE2 GLU A 43 7.543 -8.071 -2.297 1.00 0.00 O ATOM 0 H GLU A 43 4.079 -6.356 0.504 1.00 0.00 H new ATOM 0 HA GLU A 43 5.787 -4.544 1.786 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.537 -5.652 0.360 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.526 -6.766 1.259 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.147 -7.133 -0.792 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.215 -6.065 -1.681 1.00 0.00 H new ATOM 653 N ASN A 44 5.270 -3.932 -1.421 1.00 0.00 N ATOM 654 CA ASN A 44 5.392 -2.908 -2.453 1.00 0.00 C ATOM 655 C ASN A 44 5.122 -1.521 -1.878 1.00 0.00 C ATOM 656 O ASN A 44 5.928 -0.603 -2.038 1.00 0.00 O ATOM 657 CB ASN A 44 4.421 -3.194 -3.601 1.00 0.00 C ATOM 658 CG ASN A 44 4.789 -4.447 -4.371 1.00 0.00 C ATOM 659 OD1 ASN A 44 5.592 -5.259 -3.911 1.00 0.00 O ATOM 660 ND2 ASN A 44 4.202 -4.610 -5.551 1.00 0.00 N ATOM 0 H ASN A 44 4.783 -4.777 -1.720 1.00 0.00 H new ATOM 0 HA ASN A 44 6.413 -2.931 -2.834 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.412 -3.299 -3.202 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.407 -2.343 -4.282 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.411 -5.434 -6.115 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.542 -3.911 -5.893 1.00 0.00 H new ATOM 667 N LEU A 45 3.985 -1.376 -1.207 1.00 0.00 N ATOM 668 CA LEU A 45 3.609 -0.101 -0.607 1.00 0.00 C ATOM 669 C LEU A 45 4.360 0.128 0.701 1.00 0.00 C ATOM 670 O LEU A 45 5.001 1.162 0.887 1.00 0.00 O ATOM 671 CB LEU A 45 2.100 -0.058 -0.355 1.00 0.00 C ATOM 672 CG LEU A 45 1.567 1.207 0.317 1.00 0.00 C ATOM 673 CD1 LEU A 45 1.639 2.390 -0.637 1.00 0.00 C ATOM 674 CD2 LEU A 45 0.140 0.994 0.800 1.00 0.00 C ATOM 0 H LEU A 45 3.308 -2.125 -1.065 1.00 0.00 H new ATOM 0 HA LEU A 45 3.878 0.693 -1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.589 -0.181 -1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.831 -0.914 0.263 1.00 0.00 H new ATOM 0 HG LEU A 45 2.193 1.427 1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.255 3.281 -0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.675 2.557 -0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.039 2.181 -1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.223 1.905 1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.499 0.749 -0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.118 0.175 1.519 1.00 0.00 H new ATOM 686 N ARG A 46 4.277 -0.845 1.603 1.00 0.00 N ATOM 687 CA ARG A 46 4.950 -0.750 2.893 1.00 0.00 C ATOM 688 C ARG A 46 6.289 -0.031 2.756 1.00 0.00 C ATOM 689 O ARG A 46 6.587 0.898 3.508 1.00 0.00 O ATOM 690 CB ARG A 46 5.166 -2.145 3.483 1.00 0.00 C ATOM 691 CG ARG A 46 3.964 -2.676 4.246 1.00 0.00 C ATOM 692 CD ARG A 46 4.385 -3.620 5.361 1.00 0.00 C ATOM 693 NE ARG A 46 4.983 -2.906 6.486 1.00 0.00 N ATOM 694 CZ ARG A 46 5.520 -3.512 7.539 1.00 0.00 C ATOM 695 NH1 ARG A 46 5.534 -4.836 7.611 1.00 0.00 N ATOM 696 NH2 ARG A 46 6.045 -2.793 8.523 1.00 0.00 N ATOM 0 H ARG A 46 3.751 -1.708 1.464 1.00 0.00 H new ATOM 0 HA ARG A 46 4.314 -0.173 3.565 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.409 -2.837 2.677 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.027 -2.118 4.151 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.401 -1.843 4.666 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.297 -3.197 3.559 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.517 -4.181 5.708 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.099 -4.346 4.971 1.00 0.00 H new ATOM 0 HE ARG A 46 4.989 -1.886 6.462 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.132 -5.392 6.856 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.947 -5.298 8.421 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.036 -1.774 8.471 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.457 -3.259 9.331 1.00 0.00 H new ATOM 710 N PHE A 47 7.093 -0.467 1.792 1.00 0.00 N ATOM 711 CA PHE A 47 8.401 0.134 1.557 1.00 0.00 C ATOM 712 C PHE A 47 8.260 1.581 1.095 1.00 0.00 C ATOM 713 O PHE A 47 8.934 2.476 1.606 1.00 0.00 O ATOM 714 CB PHE A 47 9.177 -0.673 0.514 1.00 0.00 C ATOM 715 CG PHE A 47 10.275 0.106 -0.151 1.00 0.00 C ATOM 716 CD1 PHE A 47 11.348 0.584 0.585 1.00 0.00 C ATOM 717 CD2 PHE A 47 10.235 0.361 -1.512 1.00 0.00 C ATOM 718 CE1 PHE A 47 12.359 1.302 -0.025 1.00 0.00 C ATOM 719 CE2 PHE A 47 11.244 1.078 -2.128 1.00 0.00 C ATOM 720 CZ PHE A 47 12.308 1.548 -1.383 1.00 0.00 C ATOM 0 H PHE A 47 6.862 -1.234 1.161 1.00 0.00 H new ATOM 0 HA PHE A 47 8.952 0.124 2.498 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.606 -1.553 0.993 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.483 -1.030 -0.247 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.394 0.393 1.647 1.00 0.00 H new ATOM 0 HD2 PHE A 47 9.406 -0.005 -2.099 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.189 1.671 0.560 1.00 0.00 H new ATOM 0 HE2 PHE A 47 11.200 1.270 -3.190 1.00 0.00 H new ATOM 0 HZ PHE A 47 13.099 2.107 -1.862 1.00 0.00 H new ATOM 730 N TRP A 48 7.380 1.803 0.126 1.00 0.00 N ATOM 731 CA TRP A 48 7.150 3.141 -0.407 1.00 0.00 C ATOM 732 C TRP A 48 6.897 4.139 0.718 1.00 0.00 C ATOM 733 O TRP A 48 7.538 5.189 0.785 1.00 0.00 O ATOM 734 CB TRP A 48 5.963 3.131 -1.372 1.00 0.00 C ATOM 735 CG TRP A 48 5.832 4.397 -2.165 1.00 0.00 C ATOM 736 CD1 TRP A 48 6.489 4.712 -3.320 1.00 0.00 C ATOM 737 CD2 TRP A 48 4.994 5.516 -1.859 1.00 0.00 C ATOM 738 NE1 TRP A 48 6.109 5.960 -3.751 1.00 0.00 N ATOM 739 CE2 TRP A 48 5.192 6.474 -2.873 1.00 0.00 C ATOM 740 CE3 TRP A 48 4.093 5.802 -0.830 1.00 0.00 C ATOM 741 CZ2 TRP A 48 4.524 7.695 -2.883 1.00 0.00 C ATOM 742 CZ3 TRP A 48 3.431 7.015 -0.841 1.00 0.00 C ATOM 743 CH2 TRP A 48 3.648 7.949 -1.863 1.00 0.00 C ATOM 0 H TRP A 48 6.814 1.074 -0.307 1.00 0.00 H new ATOM 0 HA TRP A 48 8.046 3.449 -0.947 1.00 0.00 H new ATOM 0 HB2 TRP A 48 6.068 2.290 -2.058 1.00 0.00 H new ATOM 0 HB3 TRP A 48 5.045 2.968 -0.807 1.00 0.00 H new ATOM 0 HD1 TRP A 48 7.202 4.074 -3.821 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.454 6.428 -4.589 1.00 0.00 H new ATOM 0 HE3 TRP A 48 3.917 5.087 -0.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 4.691 8.417 -3.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.735 7.247 -0.049 1.00 0.00 H new ATOM 0 HH2 TRP A 48 3.114 8.887 -1.845 1.00 0.00 H new ATOM 754 N LEU A 49 5.962 3.805 1.600 1.00 0.00 N ATOM 755 CA LEU A 49 5.625 4.672 2.724 1.00 0.00 C ATOM 756 C LEU A 49 6.835 4.887 3.628 1.00 0.00 C ATOM 757 O LEU A 49 7.119 6.009 4.046 1.00 0.00 O ATOM 758 CB LEU A 49 4.472 4.071 3.530 1.00 0.00 C ATOM 759 CG LEU A 49 3.198 3.755 2.746 1.00 0.00 C ATOM 760 CD1 LEU A 49 2.235 2.943 3.597 1.00 0.00 C ATOM 761 CD2 LEU A 49 2.536 5.038 2.265 1.00 0.00 C ATOM 0 H LEU A 49 5.423 2.940 1.559 1.00 0.00 H new ATOM 0 HA LEU A 49 5.316 5.638 2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.823 3.152 3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.218 4.762 4.334 1.00 0.00 H new ATOM 0 HG LEU A 49 3.469 3.160 1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.334 2.728 3.022 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.710 2.007 3.891 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.969 3.511 4.488 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.631 4.794 1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.278 5.658 3.123 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.224 5.582 1.618 1.00 0.00 H new ATOM 773 N ALA A 50 7.546 3.803 3.923 1.00 0.00 N ATOM 774 CA ALA A 50 8.728 3.874 4.773 1.00 0.00 C ATOM 775 C ALA A 50 9.611 5.056 4.389 1.00 0.00 C ATOM 776 O ALA A 50 9.972 5.875 5.234 1.00 0.00 O ATOM 777 CB ALA A 50 9.516 2.575 4.690 1.00 0.00 C ATOM 0 H ALA A 50 7.324 2.866 3.586 1.00 0.00 H new ATOM 0 HA ALA A 50 8.397 4.021 5.801 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.396 2.642 5.330 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.889 1.747 5.021 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.828 2.404 3.660 1.00 0.00 H new ATOM 783 N VAL A 51 9.957 5.138 3.108 1.00 0.00 N ATOM 784 CA VAL A 51 10.798 6.221 2.611 1.00 0.00 C ATOM 785 C VAL A 51 10.273 7.578 3.067 1.00 0.00 C ATOM 786 O VAL A 51 11.033 8.417 3.550 1.00 0.00 O ATOM 787 CB VAL A 51 10.882 6.206 1.073 1.00 0.00 C ATOM 788 CG1 VAL A 51 11.779 7.330 0.577 1.00 0.00 C ATOM 789 CG2 VAL A 51 11.383 4.856 0.581 1.00 0.00 C ATOM 0 H VAL A 51 9.668 4.468 2.396 1.00 0.00 H new ATOM 0 HA VAL A 51 11.794 6.063 3.023 1.00 0.00 H new ATOM 0 HB VAL A 51 9.882 6.366 0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.827 7.304 -0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 51 11.373 8.289 0.900 1.00 0.00 H new ATOM 0 HG13 VAL A 51 12.781 7.204 0.987 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.436 4.862 -0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.374 4.664 0.992 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.698 4.073 0.906 1.00 0.00 H new ATOM 799 N GLU A 52 8.970 7.785 2.911 1.00 0.00 N ATOM 800 CA GLU A 52 8.344 9.041 3.307 1.00 0.00 C ATOM 801 C GLU A 52 8.706 9.400 4.745 1.00 0.00 C ATOM 802 O GLU A 52 9.222 10.485 5.014 1.00 0.00 O ATOM 803 CB GLU A 52 6.824 8.948 3.161 1.00 0.00 C ATOM 804 CG GLU A 52 6.367 8.621 1.749 1.00 0.00 C ATOM 805 CD GLU A 52 4.875 8.818 1.558 1.00 0.00 C ATOM 806 OE1 GLU A 52 4.107 7.890 1.888 1.00 0.00 O ATOM 807 OE2 GLU A 52 4.477 9.900 1.078 1.00 0.00 O ATOM 0 H GLU A 52 8.327 7.100 2.514 1.00 0.00 H new ATOM 0 HA GLU A 52 8.718 9.826 2.649 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.448 8.184 3.842 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.379 9.895 3.468 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.906 9.251 1.042 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.626 7.588 1.517 1.00 0.00 H new ATOM 814 N ASP A 53 8.432 8.482 5.665 1.00 0.00 N ATOM 815 CA ASP A 53 8.729 8.700 7.076 1.00 0.00 C ATOM 816 C ASP A 53 10.209 9.012 7.277 1.00 0.00 C ATOM 817 O ASP A 53 10.566 9.908 8.043 1.00 0.00 O ATOM 818 CB ASP A 53 8.338 7.471 7.897 1.00 0.00 C ATOM 819 CG ASP A 53 9.007 7.446 9.257 1.00 0.00 C ATOM 820 OD1 ASP A 53 10.211 7.117 9.321 1.00 0.00 O ATOM 821 OD2 ASP A 53 8.328 7.756 10.258 1.00 0.00 O ATOM 0 H ASP A 53 8.004 7.579 5.459 1.00 0.00 H new ATOM 0 HA ASP A 53 8.146 9.555 7.417 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.256 7.454 8.027 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.607 6.569 7.347 1.00 0.00 H new ATOM 826 N LEU A 54 11.065 8.266 6.588 1.00 0.00 N ATOM 827 CA LEU A 54 12.507 8.462 6.692 1.00 0.00 C ATOM 828 C LEU A 54 12.850 9.946 6.768 1.00 0.00 C ATOM 829 O LEU A 54 13.548 10.387 7.682 1.00 0.00 O ATOM 830 CB LEU A 54 13.215 7.824 5.495 1.00 0.00 C ATOM 831 CG LEU A 54 14.742 7.776 5.568 1.00 0.00 C ATOM 832 CD1 LEU A 54 15.195 6.858 6.692 1.00 0.00 C ATOM 833 CD2 LEU A 54 15.325 7.320 4.238 1.00 0.00 C ATOM 0 H LEU A 54 10.786 7.520 5.951 1.00 0.00 H new ATOM 0 HA LEU A 54 12.850 7.981 7.608 1.00 0.00 H new ATOM 0 HB2 LEU A 54 12.844 6.806 5.379 1.00 0.00 H new ATOM 0 HB3 LEU A 54 12.931 8.371 4.596 1.00 0.00 H new ATOM 0 HG LEU A 54 15.108 8.781 5.778 1.00 0.00 H new ATOM 0 HD11 LEU A 54 16.284 6.837 6.728 1.00 0.00 H new ATOM 0 HD12 LEU A 54 14.808 7.227 7.642 1.00 0.00 H new ATOM 0 HD13 LEU A 54 14.818 5.851 6.513 1.00 0.00 H new ATOM 0 HD21 LEU A 54 16.412 7.292 4.308 1.00 0.00 H new ATOM 0 HD22 LEU A 54 14.951 6.325 3.999 1.00 0.00 H new ATOM 0 HD23 LEU A 54 15.030 8.017 3.453 1.00 0.00 H new ATOM 845 N LYS A 55 12.354 10.714 5.804 1.00 0.00 N ATOM 846 CA LYS A 55 12.605 12.150 5.763 1.00 0.00 C ATOM 847 C LYS A 55 12.179 12.814 7.069 1.00 0.00 C ATOM 848 O LYS A 55 12.923 13.608 7.645 1.00 0.00 O ATOM 849 CB LYS A 55 11.858 12.785 4.588 1.00 0.00 C ATOM 850 CG LYS A 55 12.459 12.452 3.234 1.00 0.00 C ATOM 851 CD LYS A 55 11.421 12.537 2.127 1.00 0.00 C ATOM 852 CE LYS A 55 10.646 11.235 1.989 1.00 0.00 C ATOM 853 NZ LYS A 55 9.432 11.400 1.142 1.00 0.00 N ATOM 0 H LYS A 55 11.775 10.366 5.040 1.00 0.00 H new ATOM 0 HA LYS A 55 13.676 12.303 5.630 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.820 12.454 4.607 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.849 13.867 4.716 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.278 13.139 3.020 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.883 11.448 3.260 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.729 13.353 2.337 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.913 12.771 1.183 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.292 10.472 1.554 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.354 10.880 2.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.163 10.480 0.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.650 11.764 1.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.634 12.071 0.373 1.00 0.00 H new ATOM 867 N LYS A 56 10.978 12.483 7.532 1.00 0.00 N ATOM 868 CA LYS A 56 10.454 13.044 8.771 1.00 0.00 C ATOM 869 C LYS A 56 11.330 12.655 9.958 1.00 0.00 C ATOM 870 O LYS A 56 11.563 13.460 10.860 1.00 0.00 O ATOM 871 CB LYS A 56 9.019 12.567 9.004 1.00 0.00 C ATOM 872 CG LYS A 56 8.051 12.995 7.915 1.00 0.00 C ATOM 873 CD LYS A 56 7.573 14.422 8.123 1.00 0.00 C ATOM 874 CE LYS A 56 6.354 14.474 9.032 1.00 0.00 C ATOM 875 NZ LYS A 56 5.677 15.799 8.976 1.00 0.00 N ATOM 0 H LYS A 56 10.349 11.828 7.067 1.00 0.00 H new ATOM 0 HA LYS A 56 10.459 14.130 8.679 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.014 11.479 9.076 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.668 12.952 9.962 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.536 12.911 6.942 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.194 12.321 7.903 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.377 15.017 8.556 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.329 14.869 7.159 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.650 13.694 8.741 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.657 14.264 10.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.852 15.794 9.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.340 16.541 9.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.365 15.989 8.002 1.00 0.00 H new ATOM 889 N ARG A 57 11.813 11.417 9.950 1.00 0.00 N ATOM 890 CA ARG A 57 12.664 10.923 11.026 1.00 0.00 C ATOM 891 C ARG A 57 13.833 11.871 11.275 1.00 0.00 C ATOM 892 O ARG A 57 14.407 12.444 10.348 1.00 0.00 O ATOM 893 CB ARG A 57 13.188 9.526 10.689 1.00 0.00 C ATOM 894 CG ARG A 57 12.141 8.433 10.822 1.00 0.00 C ATOM 895 CD ARG A 57 11.856 8.110 12.281 1.00 0.00 C ATOM 896 NE ARG A 57 11.390 6.737 12.457 1.00 0.00 N ATOM 897 CZ ARG A 57 10.633 6.342 13.474 1.00 0.00 C ATOM 898 NH1 ARG A 57 10.257 7.212 14.401 1.00 0.00 N ATOM 899 NH2 ARG A 57 10.249 5.075 13.564 1.00 0.00 N ATOM 0 H ARG A 57 11.630 10.738 9.211 1.00 0.00 H new ATOM 0 HA ARG A 57 12.064 10.869 11.934 1.00 0.00 H new ATOM 0 HB2 ARG A 57 13.571 9.528 9.669 1.00 0.00 H new ATOM 0 HB3 ARG A 57 14.028 9.294 11.344 1.00 0.00 H new ATOM 0 HG2 ARG A 57 11.220 8.748 10.331 1.00 0.00 H new ATOM 0 HG3 ARG A 57 12.484 7.534 10.309 1.00 0.00 H new ATOM 0 HD2 ARG A 57 12.760 8.264 12.870 1.00 0.00 H new ATOM 0 HD3 ARG A 57 11.104 8.800 12.665 1.00 0.00 H new ATOM 0 HE ARG A 57 11.661 6.043 11.760 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.549 8.187 14.334 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.676 6.906 15.181 1.00 0.00 H new ATOM 0 HH21 ARG A 57 10.535 4.403 12.852 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.668 4.773 14.346 1.00 0.00 H new ATOM 913 N PRO A 58 14.195 12.042 12.555 1.00 0.00 N ATOM 914 CA PRO A 58 15.299 12.919 12.955 1.00 0.00 C ATOM 915 C PRO A 58 16.658 12.366 12.542 1.00 0.00 C ATOM 916 O PRO A 58 16.792 11.178 12.249 1.00 0.00 O ATOM 917 CB PRO A 58 15.181 12.965 14.481 1.00 0.00 C ATOM 918 CG PRO A 58 14.493 11.694 14.845 1.00 0.00 C ATOM 919 CD PRO A 58 13.555 11.390 13.710 1.00 0.00 C ATOM 0 HA PRO A 58 15.235 13.898 12.479 1.00 0.00 H new ATOM 0 HB2 PRO A 58 16.161 13.034 14.952 1.00 0.00 H new ATOM 0 HB3 PRO A 58 14.609 13.833 14.808 1.00 0.00 H new ATOM 0 HG2 PRO A 58 15.212 10.887 14.983 1.00 0.00 H new ATOM 0 HG3 PRO A 58 13.949 11.800 15.783 1.00 0.00 H new ATOM 0 HD2 PRO A 58 13.445 10.317 13.556 1.00 0.00 H new ATOM 0 HD3 PRO A 58 12.558 11.789 13.895 1.00 0.00 H new ATOM 927 N ILE A 59 17.664 13.235 12.522 1.00 0.00 N ATOM 928 CA ILE A 59 19.013 12.832 12.147 1.00 0.00 C ATOM 929 C ILE A 59 19.472 11.625 12.958 1.00 0.00 C ATOM 930 O ILE A 59 20.215 10.776 12.464 1.00 0.00 O ATOM 931 CB ILE A 59 20.019 13.981 12.344 1.00 0.00 C ATOM 932 CG1 ILE A 59 21.423 13.535 11.929 1.00 0.00 C ATOM 933 CG2 ILE A 59 20.012 14.450 13.791 1.00 0.00 C ATOM 934 CD1 ILE A 59 21.575 13.324 10.439 1.00 0.00 C ATOM 0 H ILE A 59 17.570 14.222 12.761 1.00 0.00 H new ATOM 0 HA ILE A 59 18.980 12.566 11.091 1.00 0.00 H new ATOM 0 HB ILE A 59 19.722 14.817 11.711 1.00 0.00 H new ATOM 0 HG12 ILE A 59 22.145 14.283 12.257 1.00 0.00 H new ATOM 0 HG13 ILE A 59 21.668 12.607 12.446 1.00 0.00 H new ATOM 0 HG21 ILE A 59 20.728 15.262 13.914 1.00 0.00 H new ATOM 0 HG22 ILE A 59 19.015 14.803 14.054 1.00 0.00 H new ATOM 0 HG23 ILE A 59 20.288 13.621 14.443 1.00 0.00 H new ATOM 0 HD11 ILE A 59 22.595 13.009 10.218 1.00 0.00 H new ATOM 0 HD12 ILE A 59 20.878 12.554 10.108 1.00 0.00 H new ATOM 0 HD13 ILE A 59 21.362 14.256 9.916 1.00 0.00 H new ATOM 946 N LYS A 60 19.024 11.553 14.207 1.00 0.00 N ATOM 947 CA LYS A 60 19.385 10.449 15.088 1.00 0.00 C ATOM 948 C LYS A 60 18.755 9.144 14.612 1.00 0.00 C ATOM 949 O LYS A 60 19.329 8.070 14.780 1.00 0.00 O ATOM 950 CB LYS A 60 18.943 10.748 16.522 1.00 0.00 C ATOM 951 CG LYS A 60 17.441 10.912 16.674 1.00 0.00 C ATOM 952 CD LYS A 60 17.096 11.938 17.741 1.00 0.00 C ATOM 953 CE LYS A 60 17.937 11.743 18.993 1.00 0.00 C ATOM 954 NZ LYS A 60 17.236 12.230 20.213 1.00 0.00 N ATOM 0 H LYS A 60 18.409 12.247 14.632 1.00 0.00 H new ATOM 0 HA LYS A 60 20.469 10.338 15.064 1.00 0.00 H new ATOM 0 HB2 LYS A 60 19.280 9.941 17.173 1.00 0.00 H new ATOM 0 HB3 LYS A 60 19.436 11.659 16.863 1.00 0.00 H new ATOM 0 HG2 LYS A 60 17.009 11.218 15.721 1.00 0.00 H new ATOM 0 HG3 LYS A 60 16.994 9.952 16.933 1.00 0.00 H new ATOM 0 HD2 LYS A 60 17.255 12.942 17.347 1.00 0.00 H new ATOM 0 HD3 LYS A 60 16.039 11.859 17.995 1.00 0.00 H new ATOM 0 HE2 LYS A 60 18.176 10.686 19.109 1.00 0.00 H new ATOM 0 HE3 LYS A 60 18.883 12.273 18.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 17.842 12.080 21.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 17.030 13.245 20.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 16.346 11.707 20.334 1.00 0.00 H new ATOM 968 N GLU A 61 17.571 9.248 14.016 1.00 0.00 N ATOM 969 CA GLU A 61 16.864 8.075 13.515 1.00 0.00 C ATOM 970 C GLU A 61 16.841 8.063 11.989 1.00 0.00 C ATOM 971 O GLU A 61 16.120 7.278 11.374 1.00 0.00 O ATOM 972 CB GLU A 61 15.433 8.044 14.058 1.00 0.00 C ATOM 973 CG GLU A 61 15.354 7.779 15.552 1.00 0.00 C ATOM 974 CD GLU A 61 15.876 6.406 15.929 1.00 0.00 C ATOM 975 OE1 GLU A 61 17.095 6.279 16.167 1.00 0.00 O ATOM 976 OE2 GLU A 61 15.065 5.459 15.986 1.00 0.00 O ATOM 0 H GLU A 61 17.082 10.131 13.869 1.00 0.00 H new ATOM 0 HA GLU A 61 17.395 7.188 13.860 1.00 0.00 H new ATOM 0 HB2 GLU A 61 14.950 8.997 13.841 1.00 0.00 H new ATOM 0 HB3 GLU A 61 14.870 7.274 13.531 1.00 0.00 H new ATOM 0 HG2 GLU A 61 15.926 8.540 16.083 1.00 0.00 H new ATOM 0 HG3 GLU A 61 14.319 7.873 15.880 1.00 0.00 H new ATOM 983 N VAL A 62 17.635 8.942 11.385 1.00 0.00 N ATOM 984 CA VAL A 62 17.708 9.033 9.932 1.00 0.00 C ATOM 985 C VAL A 62 18.457 7.843 9.343 1.00 0.00 C ATOM 986 O VAL A 62 17.932 7.093 8.520 1.00 0.00 O ATOM 987 CB VAL A 62 18.401 10.334 9.485 1.00 0.00 C ATOM 988 CG1 VAL A 62 19.163 10.115 8.187 1.00 0.00 C ATOM 989 CG2 VAL A 62 17.383 11.455 9.333 1.00 0.00 C ATOM 0 H VAL A 62 18.236 9.601 11.880 1.00 0.00 H new ATOM 0 HA VAL A 62 16.682 9.031 9.563 1.00 0.00 H new ATOM 0 HB VAL A 62 19.117 10.626 10.253 1.00 0.00 H new ATOM 0 HG11 VAL A 62 19.646 11.045 7.887 1.00 0.00 H new ATOM 0 HG12 VAL A 62 19.920 9.345 8.335 1.00 0.00 H new ATOM 0 HG13 VAL A 62 18.470 9.798 7.407 1.00 0.00 H new ATOM 0 HG21 VAL A 62 17.890 12.367 9.017 1.00 0.00 H new ATOM 0 HG22 VAL A 62 16.641 11.174 8.585 1.00 0.00 H new ATOM 0 HG23 VAL A 62 16.887 11.628 10.288 1.00 0.00 H new ATOM 999 N PRO A 63 19.714 7.664 9.773 1.00 0.00 N ATOM 1000 CA PRO A 63 20.563 6.565 9.302 1.00 0.00 C ATOM 1001 C PRO A 63 20.091 5.208 9.813 1.00 0.00 C ATOM 1002 O PRO A 63 19.922 4.267 9.037 1.00 0.00 O ATOM 1003 CB PRO A 63 21.938 6.906 9.882 1.00 0.00 C ATOM 1004 CG PRO A 63 21.647 7.740 11.082 1.00 0.00 C ATOM 1005 CD PRO A 63 20.405 8.519 10.753 1.00 0.00 C ATOM 0 HA PRO A 63 20.553 6.479 8.215 1.00 0.00 H new ATOM 0 HB2 PRO A 63 22.489 6.005 10.151 1.00 0.00 H new ATOM 0 HB3 PRO A 63 22.548 7.450 9.161 1.00 0.00 H new ATOM 0 HG2 PRO A 63 21.495 7.116 11.963 1.00 0.00 H new ATOM 0 HG3 PRO A 63 22.479 8.408 11.304 1.00 0.00 H new ATOM 0 HD2 PRO A 63 19.793 8.691 11.638 1.00 0.00 H new ATOM 0 HD3 PRO A 63 20.643 9.497 10.335 1.00 0.00 H new ATOM 1013 N SER A 64 19.879 5.114 11.121 1.00 0.00 N ATOM 1014 CA SER A 64 19.429 3.871 11.736 1.00 0.00 C ATOM 1015 C SER A 64 18.335 3.216 10.898 1.00 0.00 C ATOM 1016 O SER A 64 18.294 1.994 10.756 1.00 0.00 O ATOM 1017 CB SER A 64 18.914 4.134 13.152 1.00 0.00 C ATOM 1018 OG SER A 64 19.929 4.691 13.968 1.00 0.00 O ATOM 0 H SER A 64 20.012 5.884 11.776 1.00 0.00 H new ATOM 0 HA SER A 64 20.280 3.191 11.788 1.00 0.00 H new ATOM 0 HB2 SER A 64 18.062 4.812 13.112 1.00 0.00 H new ATOM 0 HB3 SER A 64 18.559 3.202 13.592 1.00 0.00 H new ATOM 0 HG SER A 64 19.574 4.851 14.867 1.00 0.00 H new ATOM 1024 N ARG A 65 17.449 4.038 10.346 1.00 0.00 N ATOM 1025 CA ARG A 65 16.353 3.541 9.523 1.00 0.00 C ATOM 1026 C ARG A 65 16.852 3.138 8.139 1.00 0.00 C ATOM 1027 O ARG A 65 16.468 2.095 7.608 1.00 0.00 O ATOM 1028 CB ARG A 65 15.261 4.603 9.394 1.00 0.00 C ATOM 1029 CG ARG A 65 13.869 4.025 9.194 1.00 0.00 C ATOM 1030 CD ARG A 65 13.378 3.311 10.443 1.00 0.00 C ATOM 1031 NE ARG A 65 12.507 2.184 10.122 1.00 0.00 N ATOM 1032 CZ ARG A 65 11.781 1.535 11.026 1.00 0.00 C ATOM 1033 NH1 ARG A 65 11.822 1.901 12.300 1.00 0.00 N ATOM 1034 NH2 ARG A 65 11.012 0.519 10.657 1.00 0.00 N ATOM 0 H ARG A 65 17.469 5.052 10.454 1.00 0.00 H new ATOM 0 HA ARG A 65 15.937 2.660 10.011 1.00 0.00 H new ATOM 0 HB2 ARG A 65 15.262 5.224 10.290 1.00 0.00 H new ATOM 0 HB3 ARG A 65 15.498 5.256 8.554 1.00 0.00 H new ATOM 0 HG2 ARG A 65 13.176 4.825 8.934 1.00 0.00 H new ATOM 0 HG3 ARG A 65 13.880 3.328 8.356 1.00 0.00 H new ATOM 0 HD2 ARG A 65 14.234 2.956 11.018 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.840 4.016 11.076 1.00 0.00 H new ATOM 0 HE ARG A 65 12.453 1.878 9.150 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.412 2.682 12.588 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.264 1.401 12.992 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.977 0.235 9.678 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.455 0.022 11.352 1.00 0.00 H new ATOM 1048 N VAL A 66 17.710 3.971 7.558 1.00 0.00 N ATOM 1049 CA VAL A 66 18.262 3.702 6.236 1.00 0.00 C ATOM 1050 C VAL A 66 18.543 2.215 6.050 1.00 0.00 C ATOM 1051 O VAL A 66 17.904 1.551 5.235 1.00 0.00 O ATOM 1052 CB VAL A 66 19.563 4.492 6.000 1.00 0.00 C ATOM 1053 CG1 VAL A 66 20.288 3.972 4.768 1.00 0.00 C ATOM 1054 CG2 VAL A 66 19.266 5.978 5.865 1.00 0.00 C ATOM 0 H VAL A 66 18.038 4.838 7.983 1.00 0.00 H new ATOM 0 HA VAL A 66 17.514 4.021 5.510 1.00 0.00 H new ATOM 0 HB VAL A 66 20.215 4.351 6.862 1.00 0.00 H new ATOM 0 HG11 VAL A 66 21.205 4.542 4.617 1.00 0.00 H new ATOM 0 HG12 VAL A 66 20.534 2.919 4.908 1.00 0.00 H new ATOM 0 HG13 VAL A 66 19.645 4.081 3.894 1.00 0.00 H new ATOM 0 HG21 VAL A 66 20.196 6.521 5.699 1.00 0.00 H new ATOM 0 HG22 VAL A 66 18.595 6.140 5.021 1.00 0.00 H new ATOM 0 HG23 VAL A 66 18.793 6.339 6.778 1.00 0.00 H new ATOM 1064 N GLN A 67 19.503 1.700 6.812 1.00 0.00 N ATOM 1065 CA GLN A 67 19.868 0.291 6.731 1.00 0.00 C ATOM 1066 C GLN A 67 18.653 -0.601 6.962 1.00 0.00 C ATOM 1067 O GLN A 67 18.417 -1.550 6.215 1.00 0.00 O ATOM 1068 CB GLN A 67 20.957 -0.036 7.754 1.00 0.00 C ATOM 1069 CG GLN A 67 20.451 -0.081 9.187 1.00 0.00 C ATOM 1070 CD GLN A 67 21.575 -0.073 10.203 1.00 0.00 C ATOM 1071 OE1 GLN A 67 21.504 0.847 11.158 1.00 0.00 O flip ATOM 1072 NE2 GLN A 67 22.498 -0.885 10.132 1.00 0.00 N flip ATOM 0 H GLN A 67 20.041 2.237 7.492 1.00 0.00 H new ATOM 0 HA GLN A 67 20.251 0.099 5.729 1.00 0.00 H new ATOM 0 HB2 GLN A 67 21.402 -0.999 7.504 1.00 0.00 H new ATOM 0 HB3 GLN A 67 21.749 0.709 7.680 1.00 0.00 H new ATOM 0 HG2 GLN A 67 19.799 0.774 9.365 1.00 0.00 H new ATOM 0 HG3 GLN A 67 19.846 -0.977 9.327 1.00 0.00 H new ATOM 0 HE21 GLN A 67 22.513 -1.575 9.381 1.00 0.00 H new ATOM 0 HE22 GLN A 67 23.247 -0.867 10.824 1.00 0.00 H new ATOM 1081 N GLU A 68 17.885 -0.289 8.001 1.00 0.00 N ATOM 1082 CA GLU A 68 16.695 -1.064 8.331 1.00 0.00 C ATOM 1083 C GLU A 68 15.819 -1.267 7.097 1.00 0.00 C ATOM 1084 O GLU A 68 15.588 -2.398 6.667 1.00 0.00 O ATOM 1085 CB GLU A 68 15.892 -0.365 9.430 1.00 0.00 C ATOM 1086 CG GLU A 68 16.459 -0.573 10.824 1.00 0.00 C ATOM 1087 CD GLU A 68 16.687 -2.037 11.148 1.00 0.00 C ATOM 1088 OE1 GLU A 68 17.738 -2.578 10.745 1.00 0.00 O ATOM 1089 OE2 GLU A 68 15.815 -2.641 11.807 1.00 0.00 O ATOM 0 H GLU A 68 18.066 0.495 8.628 1.00 0.00 H new ATOM 0 HA GLU A 68 17.017 -2.041 8.692 1.00 0.00 H new ATOM 0 HB2 GLU A 68 15.855 0.703 9.218 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.865 -0.730 9.406 1.00 0.00 H new ATOM 0 HG2 GLU A 68 17.402 -0.034 10.913 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.776 -0.144 11.558 1.00 0.00 H new ATOM 1096 N ILE A 69 15.335 -0.165 6.535 1.00 0.00 N ATOM 1097 CA ILE A 69 14.486 -0.222 5.351 1.00 0.00 C ATOM 1098 C ILE A 69 15.058 -1.178 4.310 1.00 0.00 C ATOM 1099 O ILE A 69 14.336 -1.997 3.742 1.00 0.00 O ATOM 1100 CB ILE A 69 14.314 1.170 4.715 1.00 0.00 C ATOM 1101 CG1 ILE A 69 13.676 2.137 5.715 1.00 0.00 C ATOM 1102 CG2 ILE A 69 13.472 1.074 3.452 1.00 0.00 C ATOM 1103 CD1 ILE A 69 13.981 3.590 5.429 1.00 0.00 C ATOM 0 H ILE A 69 15.516 0.778 6.880 1.00 0.00 H new ATOM 0 HA ILE A 69 13.512 -0.586 5.678 1.00 0.00 H new ATOM 0 HB ILE A 69 15.298 1.554 4.445 1.00 0.00 H new ATOM 0 HG12 ILE A 69 12.596 1.993 5.709 1.00 0.00 H new ATOM 0 HG13 ILE A 69 14.024 1.892 6.718 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.359 2.066 3.014 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.963 0.415 2.736 1.00 0.00 H new ATOM 0 HG23 ILE A 69 12.489 0.673 3.700 1.00 0.00 H new ATOM 0 HD11 ILE A 69 13.497 4.218 6.177 1.00 0.00 H new ATOM 0 HD12 ILE A 69 15.059 3.749 5.464 1.00 0.00 H new ATOM 0 HD13 ILE A 69 13.608 3.852 4.439 1.00 0.00 H new ATOM 1115 N TRP A 70 16.359 -1.068 4.065 1.00 0.00 N ATOM 1116 CA TRP A 70 17.029 -1.924 3.093 1.00 0.00 C ATOM 1117 C TRP A 70 17.205 -3.336 3.641 1.00 0.00 C ATOM 1118 O TRP A 70 17.312 -4.297 2.879 1.00 0.00 O ATOM 1119 CB TRP A 70 18.390 -1.335 2.717 1.00 0.00 C ATOM 1120 CG TRP A 70 19.458 -2.373 2.545 1.00 0.00 C ATOM 1121 CD1 TRP A 70 20.091 -3.069 3.534 1.00 0.00 C ATOM 1122 CD2 TRP A 70 20.019 -2.828 1.309 1.00 0.00 C ATOM 1123 NE1 TRP A 70 21.012 -3.931 2.987 1.00 0.00 N ATOM 1124 CE2 TRP A 70 20.986 -3.802 1.624 1.00 0.00 C ATOM 1125 CE3 TRP A 70 19.797 -2.509 -0.034 1.00 0.00 C ATOM 1126 CZ2 TRP A 70 21.729 -4.457 0.645 1.00 0.00 C ATOM 1127 CZ3 TRP A 70 20.536 -3.159 -1.004 1.00 0.00 C ATOM 1128 CH2 TRP A 70 21.492 -4.125 -0.661 1.00 0.00 C ATOM 0 H TRP A 70 16.971 -0.394 4.526 1.00 0.00 H new ATOM 0 HA TRP A 70 16.405 -1.977 2.201 1.00 0.00 H new ATOM 0 HB2 TRP A 70 18.290 -0.770 1.791 1.00 0.00 H new ATOM 0 HB3 TRP A 70 18.699 -0.630 3.489 1.00 0.00 H new ATOM 0 HD1 TRP A 70 19.897 -2.959 4.591 1.00 0.00 H new ATOM 0 HE1 TRP A 70 21.616 -4.564 3.511 1.00 0.00 H new ATOM 0 HE3 TRP A 70 19.061 -1.768 -0.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 22.467 -5.201 0.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 20.374 -2.919 -2.044 1.00 0.00 H new ATOM 0 HH2 TRP A 70 22.052 -4.617 -1.443 1.00 0.00 H new ATOM 1139 N GLN A 71 17.234 -3.453 4.964 1.00 0.00 N ATOM 1140 CA GLN A 71 17.398 -4.748 5.612 1.00 0.00 C ATOM 1141 C GLN A 71 16.064 -5.481 5.710 1.00 0.00 C ATOM 1142 O GLN A 71 16.011 -6.641 6.118 1.00 0.00 O ATOM 1143 CB GLN A 71 18.000 -4.572 7.008 1.00 0.00 C ATOM 1144 CG GLN A 71 19.494 -4.289 6.994 1.00 0.00 C ATOM 1145 CD GLN A 71 20.191 -4.776 8.249 1.00 0.00 C ATOM 1146 OE1 GLN A 71 20.007 -4.218 9.332 1.00 0.00 O ATOM 1147 NE2 GLN A 71 20.998 -5.821 8.111 1.00 0.00 N ATOM 0 H GLN A 71 17.146 -2.667 5.608 1.00 0.00 H new ATOM 0 HA GLN A 71 18.077 -5.346 5.004 1.00 0.00 H new ATOM 0 HB2 GLN A 71 17.488 -3.754 7.515 1.00 0.00 H new ATOM 0 HB3 GLN A 71 17.815 -5.474 7.591 1.00 0.00 H new ATOM 0 HG2 GLN A 71 19.943 -4.769 6.124 1.00 0.00 H new ATOM 0 HG3 GLN A 71 19.656 -3.217 6.886 1.00 0.00 H new ATOM 0 HE21 GLN A 71 21.121 -6.253 7.195 1.00 0.00 H new ATOM 0 HE22 GLN A 71 21.495 -6.192 8.921 1.00 0.00 H new ATOM 1156 N GLU A 72 14.989 -4.795 5.334 1.00 0.00 N ATOM 1157 CA GLU A 72 13.655 -5.382 5.381 1.00 0.00 C ATOM 1158 C GLU A 72 13.110 -5.607 3.974 1.00 0.00 C ATOM 1159 O GLU A 72 12.612 -6.687 3.655 1.00 0.00 O ATOM 1160 CB GLU A 72 12.704 -4.478 6.170 1.00 0.00 C ATOM 1161 CG GLU A 72 11.471 -5.198 6.688 1.00 0.00 C ATOM 1162 CD GLU A 72 11.665 -5.757 8.084 1.00 0.00 C ATOM 1163 OE1 GLU A 72 12.723 -6.371 8.337 1.00 0.00 O ATOM 1164 OE2 GLU A 72 10.759 -5.580 8.925 1.00 0.00 O ATOM 0 H GLU A 72 15.016 -3.834 4.994 1.00 0.00 H new ATOM 0 HA GLU A 72 13.728 -6.347 5.882 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.243 -4.045 7.013 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.391 -3.651 5.533 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.627 -4.509 6.691 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.217 -6.011 6.007 1.00 0.00 H new ATOM 1171 N PHE A 73 13.207 -4.580 3.136 1.00 0.00 N ATOM 1172 CA PHE A 73 12.723 -4.665 1.763 1.00 0.00 C ATOM 1173 C PHE A 73 13.867 -4.970 0.801 1.00 0.00 C ATOM 1174 O PHE A 73 13.906 -6.035 0.182 1.00 0.00 O ATOM 1175 CB PHE A 73 12.038 -3.357 1.360 1.00 0.00 C ATOM 1176 CG PHE A 73 11.046 -2.863 2.374 1.00 0.00 C ATOM 1177 CD1 PHE A 73 9.795 -3.450 2.480 1.00 0.00 C ATOM 1178 CD2 PHE A 73 11.363 -1.812 3.219 1.00 0.00 C ATOM 1179 CE1 PHE A 73 8.879 -2.998 3.412 1.00 0.00 C ATOM 1180 CE2 PHE A 73 10.451 -1.356 4.152 1.00 0.00 C ATOM 1181 CZ PHE A 73 9.208 -1.949 4.248 1.00 0.00 C ATOM 0 H PHE A 73 13.616 -3.679 3.384 1.00 0.00 H new ATOM 0 HA PHE A 73 11.999 -5.478 1.709 1.00 0.00 H new ATOM 0 HB2 PHE A 73 12.798 -2.591 1.204 1.00 0.00 H new ATOM 0 HB3 PHE A 73 11.530 -3.501 0.406 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.533 -4.270 1.827 1.00 0.00 H new ATOM 0 HD2 PHE A 73 12.334 -1.344 3.148 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.908 -3.465 3.486 1.00 0.00 H new ATOM 0 HE2 PHE A 73 10.711 -0.536 4.806 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.494 -1.593 4.976 1.00 0.00 H new ATOM 1191 N LEU A 74 14.797 -4.030 0.679 1.00 0.00 N ATOM 1192 CA LEU A 74 15.943 -4.197 -0.208 1.00 0.00 C ATOM 1193 C LEU A 74 16.910 -5.240 0.342 1.00 0.00 C ATOM 1194 O LEU A 74 18.071 -5.300 -0.063 1.00 0.00 O ATOM 1195 CB LEU A 74 16.667 -2.862 -0.395 1.00 0.00 C ATOM 1196 CG LEU A 74 15.788 -1.669 -0.770 1.00 0.00 C ATOM 1197 CD1 LEU A 74 16.602 -0.384 -0.765 1.00 0.00 C ATOM 1198 CD2 LEU A 74 15.142 -1.888 -2.130 1.00 0.00 C ATOM 0 H LEU A 74 14.780 -3.144 1.183 1.00 0.00 H new ATOM 0 HA LEU A 74 15.576 -4.543 -1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 74 17.193 -2.624 0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 74 17.424 -2.987 -1.169 1.00 0.00 H new ATOM 0 HG LEU A 74 14.997 -1.577 -0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 74 15.960 0.455 -1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 74 17.016 -0.219 0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 74 17.415 -0.465 -1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 74 14.520 -1.028 -2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 74 15.918 -2.007 -2.886 1.00 0.00 H new ATOM 0 HD23 LEU A 74 14.525 -2.786 -2.099 1.00 0.00 H new ATOM 1210 N ALA A 75 16.422 -6.063 1.265 1.00 0.00 N ATOM 1211 CA ALA A 75 17.242 -7.107 1.867 1.00 0.00 C ATOM 1212 C ALA A 75 16.751 -8.493 1.462 1.00 0.00 C ATOM 1213 O ALA A 75 15.550 -8.752 1.375 1.00 0.00 O ATOM 1214 CB ALA A 75 17.244 -6.968 3.382 1.00 0.00 C ATOM 0 H ALA A 75 15.463 -6.027 1.612 1.00 0.00 H new ATOM 0 HA ALA A 75 18.262 -6.990 1.501 1.00 0.00 H new ATOM 0 HB1 ALA A 75 17.860 -7.754 3.819 1.00 0.00 H new ATOM 0 HB2 ALA A 75 17.649 -5.994 3.657 1.00 0.00 H new ATOM 0 HB3 ALA A 75 16.224 -7.056 3.757 1.00 0.00 H new ATOM 1220 N PRO A 76 17.699 -9.406 1.206 1.00 0.00 N ATOM 1221 CA PRO A 76 17.386 -10.781 0.805 1.00 0.00 C ATOM 1222 C PRO A 76 16.774 -11.592 1.943 1.00 0.00 C ATOM 1223 O PRO A 76 16.938 -11.256 3.115 1.00 0.00 O ATOM 1224 CB PRO A 76 18.750 -11.356 0.413 1.00 0.00 C ATOM 1225 CG PRO A 76 19.736 -10.548 1.183 1.00 0.00 C ATOM 1226 CD PRO A 76 19.150 -9.168 1.289 1.00 0.00 C ATOM 0 HA PRO A 76 16.648 -10.813 0.004 1.00 0.00 H new ATOM 0 HB2 PRO A 76 18.821 -12.414 0.666 1.00 0.00 H new ATOM 0 HB3 PRO A 76 18.921 -11.272 -0.660 1.00 0.00 H new ATOM 0 HG2 PRO A 76 19.905 -10.977 2.171 1.00 0.00 H new ATOM 0 HG3 PRO A 76 20.701 -10.524 0.677 1.00 0.00 H new ATOM 0 HD2 PRO A 76 19.425 -8.686 2.227 1.00 0.00 H new ATOM 0 HD3 PRO A 76 19.498 -8.521 0.484 1.00 0.00 H new ATOM 1234 N GLY A 77 16.068 -12.661 1.589 1.00 0.00 N ATOM 1235 CA GLY A 77 15.443 -13.503 2.592 1.00 0.00 C ATOM 1236 C GLY A 77 14.599 -12.710 3.570 1.00 0.00 C ATOM 1237 O GLY A 77 14.259 -13.200 4.646 1.00 0.00 O ATOM 0 H GLY A 77 15.918 -12.959 0.625 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.819 -14.248 2.099 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.214 -14.045 3.139 1.00 0.00 H new ATOM 1241 N ALA A 78 14.261 -11.480 3.195 1.00 0.00 N ATOM 1242 CA ALA A 78 13.451 -10.618 4.047 1.00 0.00 C ATOM 1243 C ALA A 78 11.965 -10.919 3.879 1.00 0.00 C ATOM 1244 O ALA A 78 11.532 -11.490 2.878 1.00 0.00 O ATOM 1245 CB ALA A 78 13.734 -9.155 3.738 1.00 0.00 C ATOM 0 H ALA A 78 14.535 -11.059 2.308 1.00 0.00 H new ATOM 0 HA ALA A 78 13.720 -10.818 5.084 1.00 0.00 H new ATOM 0 HB1 ALA A 78 13.122 -8.522 4.381 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.788 -8.943 3.916 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.494 -8.951 2.695 1.00 0.00 H new ATOM 1251 N PRO A 79 11.164 -10.527 4.881 1.00 0.00 N ATOM 1252 CA PRO A 79 9.715 -10.744 4.867 1.00 0.00 C ATOM 1253 C PRO A 79 9.008 -9.876 3.831 1.00 0.00 C ATOM 1254 O PRO A 79 8.211 -10.369 3.034 1.00 0.00 O ATOM 1255 CB PRO A 79 9.283 -10.348 6.281 1.00 0.00 C ATOM 1256 CG PRO A 79 10.327 -9.390 6.741 1.00 0.00 C ATOM 1257 CD PRO A 79 11.612 -9.840 6.104 1.00 0.00 C ATOM 0 HA PRO A 79 9.459 -11.769 4.600 1.00 0.00 H new ATOM 0 HB2 PRO A 79 8.296 -9.887 6.279 1.00 0.00 H new ATOM 0 HB3 PRO A 79 9.227 -11.217 6.936 1.00 0.00 H new ATOM 0 HG2 PRO A 79 10.080 -8.371 6.443 1.00 0.00 H new ATOM 0 HG3 PRO A 79 10.408 -9.394 7.828 1.00 0.00 H new ATOM 0 HD2 PRO A 79 12.264 -8.997 5.875 1.00 0.00 H new ATOM 0 HD3 PRO A 79 12.172 -10.508 6.758 1.00 0.00 H new ATOM 1265 N SER A 80 9.306 -8.581 3.849 1.00 0.00 N ATOM 1266 CA SER A 80 8.697 -7.643 2.913 1.00 0.00 C ATOM 1267 C SER A 80 9.649 -7.326 1.764 1.00 0.00 C ATOM 1268 O SER A 80 9.487 -6.324 1.069 1.00 0.00 O ATOM 1269 CB SER A 80 8.303 -6.353 3.635 1.00 0.00 C ATOM 1270 OG SER A 80 9.442 -5.560 3.921 1.00 0.00 O ATOM 0 H SER A 80 9.966 -8.157 4.502 1.00 0.00 H new ATOM 0 HA SER A 80 7.802 -8.109 2.501 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.607 -5.785 3.018 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.783 -6.596 4.562 1.00 0.00 H new ATOM 0 HG SER A 80 9.425 -4.752 3.367 1.00 0.00 H new ATOM 1276 N ALA A 81 10.642 -8.188 1.572 1.00 0.00 N ATOM 1277 CA ALA A 81 11.619 -8.002 0.507 1.00 0.00 C ATOM 1278 C ALA A 81 10.932 -7.787 -0.837 1.00 0.00 C ATOM 1279 O ALA A 81 9.993 -8.502 -1.186 1.00 0.00 O ATOM 1280 CB ALA A 81 12.557 -9.198 0.437 1.00 0.00 C ATOM 0 H ALA A 81 10.791 -9.022 2.140 1.00 0.00 H new ATOM 0 HA ALA A 81 12.202 -7.109 0.734 1.00 0.00 H new ATOM 0 HB1 ALA A 81 13.282 -9.046 -0.363 1.00 0.00 H new ATOM 0 HB2 ALA A 81 13.082 -9.305 1.386 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.981 -10.101 0.237 1.00 0.00 H new ATOM 1286 N ILE A 82 11.407 -6.797 -1.587 1.00 0.00 N ATOM 1287 CA ILE A 82 10.838 -6.489 -2.893 1.00 0.00 C ATOM 1288 C ILE A 82 11.829 -6.795 -4.010 1.00 0.00 C ATOM 1289 O ILE A 82 12.943 -7.250 -3.758 1.00 0.00 O ATOM 1290 CB ILE A 82 10.414 -5.011 -2.987 1.00 0.00 C ATOM 1291 CG1 ILE A 82 11.613 -4.097 -2.730 1.00 0.00 C ATOM 1292 CG2 ILE A 82 9.295 -4.717 -2.000 1.00 0.00 C ATOM 1293 CD1 ILE A 82 11.379 -2.661 -3.144 1.00 0.00 C ATOM 0 H ILE A 82 12.184 -6.196 -1.312 1.00 0.00 H new ATOM 0 HA ILE A 82 9.957 -7.119 -3.011 1.00 0.00 H new ATOM 0 HB ILE A 82 10.043 -4.818 -3.994 1.00 0.00 H new ATOM 0 HG12 ILE A 82 11.860 -4.125 -1.669 1.00 0.00 H new ATOM 0 HG13 ILE A 82 12.477 -4.485 -3.268 1.00 0.00 H new ATOM 0 HG21 ILE A 82 9.007 -3.669 -2.079 1.00 0.00 H new ATOM 0 HG22 ILE A 82 8.435 -5.348 -2.226 1.00 0.00 H new ATOM 0 HG23 ILE A 82 9.640 -4.923 -0.987 1.00 0.00 H new ATOM 0 HD11 ILE A 82 12.271 -2.071 -2.932 1.00 0.00 H new ATOM 0 HD12 ILE A 82 11.162 -2.621 -4.211 1.00 0.00 H new ATOM 0 HD13 ILE A 82 10.535 -2.255 -2.587 1.00 0.00 H new ATOM 1305 N ASN A 83 11.415 -6.539 -5.247 1.00 0.00 N ATOM 1306 CA ASN A 83 12.267 -6.785 -6.405 1.00 0.00 C ATOM 1307 C ASN A 83 12.349 -5.548 -7.294 1.00 0.00 C ATOM 1308 O ASN A 83 11.327 -5.006 -7.718 1.00 0.00 O ATOM 1309 CB ASN A 83 11.737 -7.972 -7.211 1.00 0.00 C ATOM 1310 CG ASN A 83 12.602 -8.286 -8.416 1.00 0.00 C ATOM 1311 OD1 ASN A 83 12.370 -7.774 -9.511 1.00 0.00 O ATOM 1312 ND2 ASN A 83 13.607 -9.131 -8.219 1.00 0.00 N ATOM 0 H ASN A 83 10.495 -6.161 -5.473 1.00 0.00 H new ATOM 0 HA ASN A 83 13.269 -7.017 -6.044 1.00 0.00 H new ATOM 0 HB2 ASN A 83 11.684 -8.850 -6.567 1.00 0.00 H new ATOM 0 HB3 ASN A 83 10.721 -7.758 -7.543 1.00 0.00 H new ATOM 0 HD21 ASN A 83 14.224 -9.379 -8.993 1.00 0.00 H new ATOM 0 HD22 ASN A 83 13.762 -9.532 -7.294 1.00 0.00 H new ATOM 1319 N LEU A 84 13.570 -5.106 -7.572 1.00 0.00 N ATOM 1320 CA LEU A 84 13.787 -3.933 -8.412 1.00 0.00 C ATOM 1321 C LEU A 84 14.577 -4.298 -9.664 1.00 0.00 C ATOM 1322 O LEU A 84 14.984 -5.446 -9.841 1.00 0.00 O ATOM 1323 CB LEU A 84 14.526 -2.849 -7.626 1.00 0.00 C ATOM 1324 CG LEU A 84 13.855 -2.379 -6.335 1.00 0.00 C ATOM 1325 CD1 LEU A 84 14.838 -1.603 -5.473 1.00 0.00 C ATOM 1326 CD2 LEU A 84 12.631 -1.529 -6.649 1.00 0.00 C ATOM 0 H LEU A 84 14.426 -5.542 -7.228 1.00 0.00 H new ATOM 0 HA LEU A 84 12.813 -3.551 -8.719 1.00 0.00 H new ATOM 0 HB2 LEU A 84 15.520 -3.221 -7.380 1.00 0.00 H new ATOM 0 HB3 LEU A 84 14.661 -1.985 -8.277 1.00 0.00 H new ATOM 0 HG LEU A 84 13.530 -3.257 -5.777 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.342 -1.277 -4.559 1.00 0.00 H new ATOM 0 HD12 LEU A 84 15.683 -2.243 -5.219 1.00 0.00 H new ATOM 0 HD13 LEU A 84 15.195 -0.732 -6.022 1.00 0.00 H new ATOM 0 HD21 LEU A 84 12.166 -1.203 -5.719 1.00 0.00 H new ATOM 0 HD22 LEU A 84 12.933 -0.657 -7.229 1.00 0.00 H new ATOM 0 HD23 LEU A 84 11.917 -2.118 -7.225 1.00 0.00 H new ATOM 1338 N ASP A 85 14.792 -3.313 -10.529 1.00 0.00 N ATOM 1339 CA ASP A 85 15.537 -3.529 -11.764 1.00 0.00 C ATOM 1340 C ASP A 85 17.030 -3.657 -11.483 1.00 0.00 C ATOM 1341 O ASP A 85 17.472 -3.509 -10.343 1.00 0.00 O ATOM 1342 CB ASP A 85 15.286 -2.381 -12.744 1.00 0.00 C ATOM 1343 CG ASP A 85 15.700 -2.728 -14.160 1.00 0.00 C ATOM 1344 OD1 ASP A 85 15.369 -3.842 -14.619 1.00 0.00 O ATOM 1345 OD2 ASP A 85 16.352 -1.886 -14.811 1.00 0.00 O ATOM 0 H ASP A 85 14.461 -2.357 -10.398 1.00 0.00 H new ATOM 0 HA ASP A 85 15.189 -4.460 -12.211 1.00 0.00 H new ATOM 0 HB2 ASP A 85 14.227 -2.121 -12.731 1.00 0.00 H new ATOM 0 HB3 ASP A 85 15.835 -1.499 -12.414 1.00 0.00 H new ATOM 1350 N SER A 86 17.803 -3.934 -12.528 1.00 0.00 N ATOM 1351 CA SER A 86 19.247 -4.087 -12.393 1.00 0.00 C ATOM 1352 C SER A 86 19.907 -2.749 -12.073 1.00 0.00 C ATOM 1353 O SER A 86 20.703 -2.643 -11.140 1.00 0.00 O ATOM 1354 CB SER A 86 19.842 -4.668 -13.677 1.00 0.00 C ATOM 1355 OG SER A 86 19.266 -5.927 -13.981 1.00 0.00 O ATOM 0 H SER A 86 17.453 -4.057 -13.478 1.00 0.00 H new ATOM 0 HA SER A 86 19.439 -4.774 -11.569 1.00 0.00 H new ATOM 0 HB2 SER A 86 19.674 -3.978 -14.504 1.00 0.00 H new ATOM 0 HB3 SER A 86 20.921 -4.775 -13.566 1.00 0.00 H new ATOM 0 HG SER A 86 19.661 -6.277 -14.807 1.00 0.00 H new ATOM 1361 N LYS A 87 19.571 -1.729 -12.855 1.00 0.00 N ATOM 1362 CA LYS A 87 20.129 -0.396 -12.657 1.00 0.00 C ATOM 1363 C LYS A 87 19.630 0.214 -11.351 1.00 0.00 C ATOM 1364 O LYS A 87 20.403 0.799 -10.593 1.00 0.00 O ATOM 1365 CB LYS A 87 19.760 0.513 -13.831 1.00 0.00 C ATOM 1366 CG LYS A 87 18.271 0.789 -13.943 1.00 0.00 C ATOM 1367 CD LYS A 87 17.969 1.779 -15.055 1.00 0.00 C ATOM 1368 CE LYS A 87 16.510 1.711 -15.481 1.00 0.00 C ATOM 1369 NZ LYS A 87 15.608 2.336 -14.474 1.00 0.00 N ATOM 0 H LYS A 87 18.915 -1.800 -13.632 1.00 0.00 H new ATOM 0 HA LYS A 87 21.214 -0.487 -12.603 1.00 0.00 H new ATOM 0 HB2 LYS A 87 20.289 1.460 -13.726 1.00 0.00 H new ATOM 0 HB3 LYS A 87 20.107 0.055 -14.757 1.00 0.00 H new ATOM 0 HG2 LYS A 87 17.740 -0.144 -14.132 1.00 0.00 H new ATOM 0 HG3 LYS A 87 17.900 1.181 -12.996 1.00 0.00 H new ATOM 0 HD2 LYS A 87 18.204 2.789 -14.718 1.00 0.00 H new ATOM 0 HD3 LYS A 87 18.609 1.571 -15.912 1.00 0.00 H new ATOM 0 HE2 LYS A 87 16.388 2.215 -16.440 1.00 0.00 H new ATOM 0 HE3 LYS A 87 16.223 0.670 -15.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.623 2.269 -14.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 15.705 1.840 -13.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 15.865 3.336 -14.351 1.00 0.00 H new ATOM 1383 N SER A 88 18.333 0.073 -11.095 1.00 0.00 N ATOM 1384 CA SER A 88 17.731 0.612 -9.882 1.00 0.00 C ATOM 1385 C SER A 88 18.353 -0.018 -8.640 1.00 0.00 C ATOM 1386 O SER A 88 18.956 0.671 -7.816 1.00 0.00 O ATOM 1387 CB SER A 88 16.220 0.371 -9.887 1.00 0.00 C ATOM 1388 OG SER A 88 15.622 0.910 -11.053 1.00 0.00 O ATOM 0 H SER A 88 17.680 -0.410 -11.712 1.00 0.00 H new ATOM 0 HA SER A 88 17.921 1.685 -9.858 1.00 0.00 H new ATOM 0 HB2 SER A 88 16.019 -0.699 -9.833 1.00 0.00 H new ATOM 0 HB3 SER A 88 15.773 0.825 -9.002 1.00 0.00 H new ATOM 0 HG SER A 88 14.657 0.742 -11.033 1.00 0.00 H new ATOM 1394 N TYR A 89 18.202 -1.331 -8.512 1.00 0.00 N ATOM 1395 CA TYR A 89 18.747 -2.056 -7.369 1.00 0.00 C ATOM 1396 C TYR A 89 20.202 -1.669 -7.123 1.00 0.00 C ATOM 1397 O TYR A 89 20.557 -1.199 -6.041 1.00 0.00 O ATOM 1398 CB TYR A 89 18.639 -3.564 -7.597 1.00 0.00 C ATOM 1399 CG TYR A 89 18.721 -4.376 -6.324 1.00 0.00 C ATOM 1400 CD1 TYR A 89 19.946 -4.806 -5.828 1.00 0.00 C ATOM 1401 CD2 TYR A 89 17.573 -4.712 -5.616 1.00 0.00 C ATOM 1402 CE1 TYR A 89 20.025 -5.548 -4.665 1.00 0.00 C ATOM 1403 CE2 TYR A 89 17.643 -5.453 -4.452 1.00 0.00 C ATOM 1404 CZ TYR A 89 18.871 -5.869 -3.981 1.00 0.00 C ATOM 1405 OH TYR A 89 18.945 -6.607 -2.822 1.00 0.00 O ATOM 0 H TYR A 89 17.707 -1.916 -9.185 1.00 0.00 H new ATOM 0 HA TYR A 89 18.165 -1.787 -6.488 1.00 0.00 H new ATOM 0 HB2 TYR A 89 17.695 -3.781 -8.096 1.00 0.00 H new ATOM 0 HB3 TYR A 89 19.436 -3.879 -8.271 1.00 0.00 H new ATOM 0 HD1 TYR A 89 20.852 -4.556 -6.361 1.00 0.00 H new ATOM 0 HD2 TYR A 89 16.610 -4.388 -5.982 1.00 0.00 H new ATOM 0 HE1 TYR A 89 20.985 -5.875 -4.294 1.00 0.00 H new ATOM 0 HE2 TYR A 89 16.741 -5.705 -3.914 1.00 0.00 H new ATOM 0 HH TYR A 89 18.658 -6.056 -2.064 1.00 0.00 H new ATOM 1415 N ASP A 90 21.040 -1.871 -8.134 1.00 0.00 N ATOM 1416 CA ASP A 90 22.457 -1.542 -8.029 1.00 0.00 C ATOM 1417 C ASP A 90 22.649 -0.137 -7.469 1.00 0.00 C ATOM 1418 O ASP A 90 23.331 0.054 -6.462 1.00 0.00 O ATOM 1419 CB ASP A 90 23.131 -1.656 -9.398 1.00 0.00 C ATOM 1420 CG ASP A 90 24.643 -1.671 -9.299 1.00 0.00 C ATOM 1421 OD1 ASP A 90 25.181 -2.522 -8.561 1.00 0.00 O ATOM 1422 OD2 ASP A 90 25.290 -0.830 -9.959 1.00 0.00 O ATOM 0 H ASP A 90 20.763 -2.261 -9.035 1.00 0.00 H new ATOM 0 HA ASP A 90 22.920 -2.252 -7.344 1.00 0.00 H new ATOM 0 HB2 ASP A 90 22.793 -2.567 -9.891 1.00 0.00 H new ATOM 0 HB3 ASP A 90 22.819 -0.820 -10.024 1.00 0.00 H new ATOM 1427 N LYS A 91 22.044 0.846 -8.129 1.00 0.00 N ATOM 1428 CA LYS A 91 22.148 2.235 -7.698 1.00 0.00 C ATOM 1429 C LYS A 91 21.897 2.359 -6.198 1.00 0.00 C ATOM 1430 O LYS A 91 22.662 3.005 -5.481 1.00 0.00 O ATOM 1431 CB LYS A 91 21.151 3.104 -8.467 1.00 0.00 C ATOM 1432 CG LYS A 91 21.255 4.584 -8.139 1.00 0.00 C ATOM 1433 CD LYS A 91 22.570 5.171 -8.622 1.00 0.00 C ATOM 1434 CE LYS A 91 22.465 6.672 -8.839 1.00 0.00 C ATOM 1435 NZ LYS A 91 23.599 7.197 -9.648 1.00 0.00 N ATOM 0 H LYS A 91 21.476 0.706 -8.965 1.00 0.00 H new ATOM 0 HA LYS A 91 23.160 2.581 -7.909 1.00 0.00 H new ATOM 0 HB2 LYS A 91 21.310 2.965 -9.536 1.00 0.00 H new ATOM 0 HB3 LYS A 91 20.139 2.762 -8.248 1.00 0.00 H new ATOM 0 HG2 LYS A 91 20.425 5.119 -8.601 1.00 0.00 H new ATOM 0 HG3 LYS A 91 21.166 4.726 -7.062 1.00 0.00 H new ATOM 0 HD2 LYS A 91 23.353 4.962 -7.893 1.00 0.00 H new ATOM 0 HD3 LYS A 91 22.865 4.688 -9.553 1.00 0.00 H new ATOM 0 HE2 LYS A 91 21.525 6.901 -9.340 1.00 0.00 H new ATOM 0 HE3 LYS A 91 22.443 7.178 -7.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 23.490 8.224 -9.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 24.495 7.001 -9.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 23.605 6.733 -10.579 1.00 0.00 H new ATOM 1449 N THR A 92 20.820 1.736 -5.729 1.00 0.00 N ATOM 1450 CA THR A 92 20.468 1.777 -4.316 1.00 0.00 C ATOM 1451 C THR A 92 21.615 1.268 -3.449 1.00 0.00 C ATOM 1452 O THR A 92 22.198 2.020 -2.668 1.00 0.00 O ATOM 1453 CB THR A 92 19.209 0.939 -4.025 1.00 0.00 C ATOM 1454 OG1 THR A 92 18.104 1.434 -4.790 1.00 0.00 O ATOM 1455 CG2 THR A 92 18.864 0.976 -2.544 1.00 0.00 C ATOM 0 H THR A 92 20.176 1.197 -6.308 1.00 0.00 H new ATOM 0 HA THR A 92 20.265 2.820 -4.071 1.00 0.00 H new ATOM 0 HB THR A 92 19.413 -0.094 -4.308 1.00 0.00 H new ATOM 0 HG1 THR A 92 18.258 1.255 -5.741 1.00 0.00 H new ATOM 0 HG21 THR A 92 17.971 0.377 -2.363 1.00 0.00 H new ATOM 0 HG22 THR A 92 19.695 0.572 -1.967 1.00 0.00 H new ATOM 0 HG23 THR A 92 18.678 2.006 -2.239 1.00 0.00 H new ATOM 1463 N THR A 93 21.934 -0.014 -3.592 1.00 0.00 N ATOM 1464 CA THR A 93 23.011 -0.624 -2.822 1.00 0.00 C ATOM 1465 C THR A 93 24.175 0.343 -2.644 1.00 0.00 C ATOM 1466 O THR A 93 24.710 0.491 -1.544 1.00 0.00 O ATOM 1467 CB THR A 93 23.525 -1.910 -3.496 1.00 0.00 C ATOM 1468 OG1 THR A 93 22.423 -2.758 -3.839 1.00 0.00 O ATOM 1469 CG2 THR A 93 24.479 -2.658 -2.577 1.00 0.00 C ATOM 0 H THR A 93 21.462 -0.650 -4.234 1.00 0.00 H new ATOM 0 HA THR A 93 22.598 -0.875 -1.845 1.00 0.00 H new ATOM 0 HB THR A 93 24.062 -1.629 -4.402 1.00 0.00 H new ATOM 0 HG1 THR A 93 21.982 -3.068 -3.021 1.00 0.00 H new ATOM 0 HG21 THR A 93 24.829 -3.563 -3.074 1.00 0.00 H new ATOM 0 HG22 THR A 93 25.331 -2.021 -2.341 1.00 0.00 H new ATOM 0 HG23 THR A 93 23.961 -2.927 -1.656 1.00 0.00 H new ATOM 1477 N HIS A 94 24.564 1.001 -3.731 1.00 0.00 N ATOM 1478 CA HIS A 94 25.666 1.956 -3.694 1.00 0.00 C ATOM 1479 C HIS A 94 25.285 3.193 -2.887 1.00 0.00 C ATOM 1480 O HIS A 94 26.069 3.680 -2.073 1.00 0.00 O ATOM 1481 CB HIS A 94 26.065 2.362 -5.113 1.00 0.00 C ATOM 1482 CG HIS A 94 27.480 2.842 -5.224 1.00 0.00 C ATOM 1483 ND1 HIS A 94 28.069 3.669 -4.291 1.00 0.00 N ATOM 1484 CD2 HIS A 94 28.424 2.604 -6.164 1.00 0.00 C ATOM 1485 CE1 HIS A 94 29.314 3.921 -4.654 1.00 0.00 C ATOM 1486 NE2 HIS A 94 29.555 3.286 -5.786 1.00 0.00 N ATOM 0 H HIS A 94 24.133 0.891 -4.649 1.00 0.00 H new ATOM 0 HA HIS A 94 26.516 1.475 -3.210 1.00 0.00 H new ATOM 0 HB2 HIS A 94 25.926 1.510 -5.778 1.00 0.00 H new ATOM 0 HB3 HIS A 94 25.395 3.149 -5.459 1.00 0.00 H new ATOM 0 HD1 HIS A 94 27.615 4.030 -3.452 1.00 0.00 H new ATOM 0 HD2 HIS A 94 28.310 1.992 -7.047 1.00 0.00 H new ATOM 0 HE1 HIS A 94 30.016 4.541 -4.116 1.00 0.00 H new ATOM 1494 N ASN A 95 24.078 3.697 -3.118 1.00 0.00 N ATOM 1495 CA ASN A 95 23.594 4.878 -2.413 1.00 0.00 C ATOM 1496 C ASN A 95 23.574 4.642 -0.906 1.00 0.00 C ATOM 1497 O ASN A 95 24.012 5.489 -0.128 1.00 0.00 O ATOM 1498 CB ASN A 95 22.192 5.250 -2.901 1.00 0.00 C ATOM 1499 CG ASN A 95 22.222 6.062 -4.181 1.00 0.00 C ATOM 1500 OD1 ASN A 95 23.200 6.027 -4.929 1.00 0.00 O ATOM 1501 ND2 ASN A 95 21.148 6.800 -4.440 1.00 0.00 N ATOM 0 H ASN A 95 23.416 3.306 -3.788 1.00 0.00 H new ATOM 0 HA ASN A 95 24.276 5.702 -2.625 1.00 0.00 H new ATOM 0 HB2 ASN A 95 21.614 4.340 -3.064 1.00 0.00 H new ATOM 0 HB3 ASN A 95 21.679 5.819 -2.125 1.00 0.00 H new ATOM 0 HD21 ASN A 95 21.111 7.368 -5.287 1.00 0.00 H new ATOM 0 HD22 ASN A 95 20.360 6.799 -3.792 1.00 0.00 H new ATOM 1508 N VAL A 96 23.062 3.484 -0.501 1.00 0.00 N ATOM 1509 CA VAL A 96 22.987 3.134 0.913 1.00 0.00 C ATOM 1510 C VAL A 96 24.243 3.574 1.656 1.00 0.00 C ATOM 1511 O VAL A 96 24.174 4.039 2.794 1.00 0.00 O ATOM 1512 CB VAL A 96 22.793 1.619 1.107 1.00 0.00 C ATOM 1513 CG1 VAL A 96 22.759 1.269 2.587 1.00 0.00 C ATOM 1514 CG2 VAL A 96 21.524 1.151 0.411 1.00 0.00 C ATOM 0 H VAL A 96 22.693 2.772 -1.132 1.00 0.00 H new ATOM 0 HA VAL A 96 22.124 3.658 1.323 1.00 0.00 H new ATOM 0 HB VAL A 96 23.640 1.102 0.656 1.00 0.00 H new ATOM 0 HG11 VAL A 96 22.621 0.194 2.704 1.00 0.00 H new ATOM 0 HG12 VAL A 96 23.698 1.567 3.053 1.00 0.00 H new ATOM 0 HG13 VAL A 96 21.933 1.795 3.066 1.00 0.00 H new ATOM 0 HG21 VAL A 96 21.403 0.078 0.558 1.00 0.00 H new ATOM 0 HG22 VAL A 96 20.665 1.674 0.831 1.00 0.00 H new ATOM 0 HG23 VAL A 96 21.594 1.365 -0.655 1.00 0.00 H new ATOM 1524 N LYS A 97 25.391 3.425 1.004 1.00 0.00 N ATOM 1525 CA LYS A 97 26.665 3.809 1.601 1.00 0.00 C ATOM 1526 C LYS A 97 26.512 5.068 2.448 1.00 0.00 C ATOM 1527 O LYS A 97 27.033 5.145 3.560 1.00 0.00 O ATOM 1528 CB LYS A 97 27.714 4.039 0.511 1.00 0.00 C ATOM 1529 CG LYS A 97 27.916 2.841 -0.401 1.00 0.00 C ATOM 1530 CD LYS A 97 29.005 1.919 0.122 1.00 0.00 C ATOM 1531 CE LYS A 97 28.850 0.508 -0.423 1.00 0.00 C ATOM 1532 NZ LYS A 97 27.623 -0.156 0.099 1.00 0.00 N ATOM 0 H LYS A 97 25.465 3.041 0.062 1.00 0.00 H new ATOM 0 HA LYS A 97 26.994 2.996 2.248 1.00 0.00 H new ATOM 0 HB2 LYS A 97 27.418 4.898 -0.091 1.00 0.00 H new ATOM 0 HB3 LYS A 97 28.665 4.292 0.981 1.00 0.00 H new ATOM 0 HG2 LYS A 97 26.981 2.288 -0.489 1.00 0.00 H new ATOM 0 HG3 LYS A 97 28.178 3.185 -1.402 1.00 0.00 H new ATOM 0 HD2 LYS A 97 29.982 2.313 -0.158 1.00 0.00 H new ATOM 0 HD3 LYS A 97 28.971 1.895 1.211 1.00 0.00 H new ATOM 0 HE2 LYS A 97 28.810 0.541 -1.512 1.00 0.00 H new ATOM 0 HE3 LYS A 97 29.725 -0.083 -0.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 27.743 -1.188 0.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 27.463 0.135 1.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 26.805 0.121 -0.481 1.00 0.00 H new ATOM 1546 N GLU A 98 25.794 6.051 1.914 1.00 0.00 N ATOM 1547 CA GLU A 98 25.573 7.306 2.623 1.00 0.00 C ATOM 1548 C GLU A 98 24.127 7.417 3.095 1.00 0.00 C ATOM 1549 O GLU A 98 23.190 7.485 2.299 1.00 0.00 O ATOM 1550 CB GLU A 98 25.919 8.494 1.722 1.00 0.00 C ATOM 1551 CG GLU A 98 25.654 8.237 0.248 1.00 0.00 C ATOM 1552 CD GLU A 98 26.888 7.756 -0.491 1.00 0.00 C ATOM 1553 OE1 GLU A 98 27.929 8.443 -0.419 1.00 0.00 O ATOM 1554 OE2 GLU A 98 26.813 6.693 -1.142 1.00 0.00 O ATOM 0 H GLU A 98 25.356 6.003 0.994 1.00 0.00 H new ATOM 0 HA GLU A 98 26.224 7.319 3.497 1.00 0.00 H new ATOM 0 HB2 GLU A 98 25.341 9.361 2.041 1.00 0.00 H new ATOM 0 HB3 GLU A 98 26.971 8.746 1.855 1.00 0.00 H new ATOM 0 HG2 GLU A 98 24.863 7.494 0.149 1.00 0.00 H new ATOM 0 HG3 GLU A 98 25.290 9.153 -0.217 1.00 0.00 H new ATOM 1561 N PRO A 99 23.938 7.434 4.423 1.00 0.00 N ATOM 1562 CA PRO A 99 22.609 7.535 5.033 1.00 0.00 C ATOM 1563 C PRO A 99 21.981 8.910 4.828 1.00 0.00 C ATOM 1564 O PRO A 99 22.641 9.935 4.986 1.00 0.00 O ATOM 1565 CB PRO A 99 22.880 7.288 6.519 1.00 0.00 C ATOM 1566 CG PRO A 99 24.301 7.689 6.716 1.00 0.00 C ATOM 1567 CD PRO A 99 25.008 7.355 5.432 1.00 0.00 C ATOM 0 HA PRO A 99 21.904 6.831 4.592 1.00 0.00 H new ATOM 0 HB2 PRO A 99 22.212 7.877 7.147 1.00 0.00 H new ATOM 0 HB3 PRO A 99 22.724 6.242 6.781 1.00 0.00 H new ATOM 0 HG2 PRO A 99 24.379 8.753 6.939 1.00 0.00 H new ATOM 0 HG3 PRO A 99 24.744 7.154 7.556 1.00 0.00 H new ATOM 0 HD2 PRO A 99 25.812 8.060 5.221 1.00 0.00 H new ATOM 0 HD3 PRO A 99 25.456 6.362 5.466 1.00 0.00 H new ATOM 1575 N GLY A 100 20.699 8.922 4.475 1.00 0.00 N ATOM 1576 CA GLY A 100 20.003 10.177 4.254 1.00 0.00 C ATOM 1577 C GLY A 100 18.496 10.020 4.304 1.00 0.00 C ATOM 1578 O GLY A 100 17.977 9.178 5.037 1.00 0.00 O ATOM 0 H GLY A 100 20.130 8.086 4.338 1.00 0.00 H new ATOM 0 HA2 GLY A 100 20.315 10.900 5.008 1.00 0.00 H new ATOM 0 HA3 GLY A 100 20.291 10.583 3.284 1.00 0.00 H new ATOM 1582 N ARG A 101 17.792 10.834 3.524 1.00 0.00 N ATOM 1583 CA ARG A 101 16.335 10.784 3.485 1.00 0.00 C ATOM 1584 C ARG A 101 15.841 10.411 2.090 1.00 0.00 C ATOM 1585 O ARG A 101 14.854 9.690 1.942 1.00 0.00 O ATOM 1586 CB ARG A 101 15.746 12.132 3.903 1.00 0.00 C ATOM 1587 CG ARG A 101 16.234 12.617 5.258 1.00 0.00 C ATOM 1588 CD ARG A 101 17.445 13.527 5.121 1.00 0.00 C ATOM 1589 NE ARG A 101 18.232 13.579 6.350 1.00 0.00 N ATOM 1590 CZ ARG A 101 18.872 14.666 6.767 1.00 0.00 C ATOM 1591 NH1 ARG A 101 18.817 15.785 6.058 1.00 0.00 N ATOM 1592 NH2 ARG A 101 19.568 14.635 7.897 1.00 0.00 N ATOM 0 H ARG A 101 18.207 11.536 2.911 1.00 0.00 H new ATOM 0 HA ARG A 101 16.004 10.018 4.186 1.00 0.00 H new ATOM 0 HB2 ARG A 101 15.996 12.878 3.148 1.00 0.00 H new ATOM 0 HB3 ARG A 101 14.659 12.053 3.925 1.00 0.00 H new ATOM 0 HG2 ARG A 101 15.431 13.152 5.765 1.00 0.00 H new ATOM 0 HG3 ARG A 101 16.490 11.760 5.882 1.00 0.00 H new ATOM 0 HD2 ARG A 101 18.073 13.174 4.303 1.00 0.00 H new ATOM 0 HD3 ARG A 101 17.115 14.532 4.859 1.00 0.00 H new ATOM 0 HE ARG A 101 18.294 12.735 6.919 1.00 0.00 H new ATOM 0 HH11 ARG A 101 18.282 15.813 5.190 1.00 0.00 H new ATOM 0 HH12 ARG A 101 19.309 16.618 6.381 1.00 0.00 H new ATOM 0 HH21 ARG A 101 19.612 13.776 8.446 1.00 0.00 H new ATOM 0 HH22 ARG A 101 20.059 15.470 8.217 1.00 0.00 H new ATOM 1606 N TYR A 102 16.534 10.906 1.071 1.00 0.00 N ATOM 1607 CA TYR A 102 16.164 10.628 -0.312 1.00 0.00 C ATOM 1608 C TYR A 102 17.034 9.518 -0.895 1.00 0.00 C ATOM 1609 O TYR A 102 17.103 9.341 -2.112 1.00 0.00 O ATOM 1610 CB TYR A 102 16.294 11.893 -1.161 1.00 0.00 C ATOM 1611 CG TYR A 102 15.814 13.144 -0.461 1.00 0.00 C ATOM 1612 CD1 TYR A 102 14.505 13.253 -0.011 1.00 0.00 C ATOM 1613 CD2 TYR A 102 16.671 14.217 -0.250 1.00 0.00 C ATOM 1614 CE1 TYR A 102 14.062 14.395 0.628 1.00 0.00 C ATOM 1615 CE2 TYR A 102 16.237 15.363 0.390 1.00 0.00 C ATOM 1616 CZ TYR A 102 14.932 15.447 0.826 1.00 0.00 C ATOM 1617 OH TYR A 102 14.495 16.585 1.464 1.00 0.00 O ATOM 0 H TYR A 102 17.355 11.502 1.176 1.00 0.00 H new ATOM 0 HA TYR A 102 15.126 10.296 -0.325 1.00 0.00 H new ATOM 0 HB2 TYR A 102 17.338 12.024 -1.445 1.00 0.00 H new ATOM 0 HB3 TYR A 102 15.727 11.762 -2.082 1.00 0.00 H new ATOM 0 HD1 TYR A 102 13.821 12.431 -0.163 1.00 0.00 H new ATOM 0 HD2 TYR A 102 17.694 14.155 -0.592 1.00 0.00 H new ATOM 0 HE1 TYR A 102 13.040 14.464 0.971 1.00 0.00 H new ATOM 0 HE2 TYR A 102 16.916 16.188 0.547 1.00 0.00 H new ATOM 0 HH TYR A 102 15.231 17.229 1.524 1.00 0.00 H new ATOM 1627 N THR A 103 17.697 8.771 -0.017 1.00 0.00 N ATOM 1628 CA THR A 103 18.562 7.679 -0.443 1.00 0.00 C ATOM 1629 C THR A 103 17.807 6.690 -1.323 1.00 0.00 C ATOM 1630 O THR A 103 18.271 6.325 -2.404 1.00 0.00 O ATOM 1631 CB THR A 103 19.153 6.927 0.765 1.00 0.00 C ATOM 1632 OG1 THR A 103 19.738 7.857 1.682 1.00 0.00 O ATOM 1633 CG2 THR A 103 20.202 5.922 0.316 1.00 0.00 C ATOM 0 H THR A 103 17.651 8.903 0.993 1.00 0.00 H new ATOM 0 HA THR A 103 19.374 8.125 -1.017 1.00 0.00 H new ATOM 0 HB THR A 103 18.345 6.388 1.260 1.00 0.00 H new ATOM 0 HG1 THR A 103 20.110 7.371 2.448 1.00 0.00 H new ATOM 0 HG21 THR A 103 20.605 5.403 1.186 1.00 0.00 H new ATOM 0 HG22 THR A 103 19.746 5.198 -0.359 1.00 0.00 H new ATOM 0 HG23 THR A 103 21.008 6.443 -0.201 1.00 0.00 H new ATOM 1641 N PHE A 104 16.641 6.259 -0.854 1.00 0.00 N ATOM 1642 CA PHE A 104 15.821 5.310 -1.599 1.00 0.00 C ATOM 1643 C PHE A 104 14.848 6.040 -2.521 1.00 0.00 C ATOM 1644 O PHE A 104 13.872 5.459 -2.995 1.00 0.00 O ATOM 1645 CB PHE A 104 15.048 4.406 -0.637 1.00 0.00 C ATOM 1646 CG PHE A 104 15.924 3.710 0.365 1.00 0.00 C ATOM 1647 CD1 PHE A 104 16.720 2.641 -0.013 1.00 0.00 C ATOM 1648 CD2 PHE A 104 15.951 4.126 1.687 1.00 0.00 C ATOM 1649 CE1 PHE A 104 17.527 2.000 0.907 1.00 0.00 C ATOM 1650 CE2 PHE A 104 16.757 3.489 2.611 1.00 0.00 C ATOM 1651 CZ PHE A 104 17.545 2.423 2.221 1.00 0.00 C ATOM 0 H PHE A 104 16.242 6.551 0.038 1.00 0.00 H new ATOM 0 HA PHE A 104 16.483 4.696 -2.210 1.00 0.00 H new ATOM 0 HB2 PHE A 104 14.306 5.003 -0.107 1.00 0.00 H new ATOM 0 HB3 PHE A 104 14.503 3.658 -1.213 1.00 0.00 H new ATOM 0 HD1 PHE A 104 16.710 2.305 -1.039 1.00 0.00 H new ATOM 0 HD2 PHE A 104 15.335 4.957 1.998 1.00 0.00 H new ATOM 0 HE1 PHE A 104 18.143 1.169 0.598 1.00 0.00 H new ATOM 0 HE2 PHE A 104 16.771 3.824 3.638 1.00 0.00 H new ATOM 0 HZ PHE A 104 18.173 1.922 2.942 1.00 0.00 H new ATOM 1661 N GLU A 105 15.121 7.317 -2.769 1.00 0.00 N ATOM 1662 CA GLU A 105 14.269 8.126 -3.633 1.00 0.00 C ATOM 1663 C GLU A 105 14.015 7.421 -4.962 1.00 0.00 C ATOM 1664 O GLU A 105 12.869 7.258 -5.381 1.00 0.00 O ATOM 1665 CB GLU A 105 14.910 9.493 -3.883 1.00 0.00 C ATOM 1666 CG GLU A 105 14.027 10.444 -4.673 1.00 0.00 C ATOM 1667 CD GLU A 105 14.072 10.179 -6.165 1.00 0.00 C ATOM 1668 OE1 GLU A 105 14.986 10.704 -6.834 1.00 0.00 O ATOM 1669 OE2 GLU A 105 13.193 9.445 -6.663 1.00 0.00 O ATOM 0 H GLU A 105 15.925 7.813 -2.384 1.00 0.00 H new ATOM 0 HA GLU A 105 13.313 8.267 -3.128 1.00 0.00 H new ATOM 0 HB2 GLU A 105 15.156 9.950 -2.925 1.00 0.00 H new ATOM 0 HB3 GLU A 105 15.849 9.352 -4.419 1.00 0.00 H new ATOM 0 HG2 GLU A 105 12.999 10.354 -4.323 1.00 0.00 H new ATOM 0 HG3 GLU A 105 14.341 11.470 -4.480 1.00 0.00 H new ATOM 1676 N ASP A 106 15.092 7.005 -5.619 1.00 0.00 N ATOM 1677 CA ASP A 106 14.987 6.317 -6.901 1.00 0.00 C ATOM 1678 C ASP A 106 14.039 5.126 -6.802 1.00 0.00 C ATOM 1679 O ASP A 106 12.982 5.108 -7.433 1.00 0.00 O ATOM 1680 CB ASP A 106 16.367 5.848 -7.367 1.00 0.00 C ATOM 1681 CG ASP A 106 17.254 6.999 -7.799 1.00 0.00 C ATOM 1682 OD1 ASP A 106 16.715 8.003 -8.312 1.00 0.00 O ATOM 1683 OD2 ASP A 106 18.486 6.897 -7.625 1.00 0.00 O ATOM 0 H ASP A 106 16.048 7.132 -5.285 1.00 0.00 H new ATOM 0 HA ASP A 106 14.585 7.020 -7.631 1.00 0.00 H new ATOM 0 HB2 ASP A 106 16.854 5.301 -6.559 1.00 0.00 H new ATOM 0 HB3 ASP A 106 16.250 5.152 -8.198 1.00 0.00 H new ATOM 1688 N ALA A 107 14.424 4.134 -6.006 1.00 0.00 N ATOM 1689 CA ALA A 107 13.607 2.940 -5.824 1.00 0.00 C ATOM 1690 C ALA A 107 12.161 3.307 -5.512 1.00 0.00 C ATOM 1691 O ALA A 107 11.230 2.699 -6.040 1.00 0.00 O ATOM 1692 CB ALA A 107 14.184 2.070 -4.717 1.00 0.00 C ATOM 0 H ALA A 107 15.296 4.133 -5.477 1.00 0.00 H new ATOM 0 HA ALA A 107 13.618 2.376 -6.757 1.00 0.00 H new ATOM 0 HB1 ALA A 107 13.564 1.182 -4.592 1.00 0.00 H new ATOM 0 HB2 ALA A 107 15.198 1.770 -4.981 1.00 0.00 H new ATOM 0 HB3 ALA A 107 14.203 2.633 -3.784 1.00 0.00 H new ATOM 1698 N GLN A 108 11.980 4.303 -4.651 1.00 0.00 N ATOM 1699 CA GLN A 108 10.646 4.748 -4.268 1.00 0.00 C ATOM 1700 C GLN A 108 9.791 5.029 -5.500 1.00 0.00 C ATOM 1701 O GLN A 108 8.599 4.722 -5.522 1.00 0.00 O ATOM 1702 CB GLN A 108 10.734 6.003 -3.398 1.00 0.00 C ATOM 1703 CG GLN A 108 9.393 6.453 -2.841 1.00 0.00 C ATOM 1704 CD GLN A 108 9.507 7.694 -1.977 1.00 0.00 C ATOM 1705 OE1 GLN A 108 10.437 8.486 -2.127 1.00 0.00 O ATOM 1706 NE2 GLN A 108 8.557 7.870 -1.065 1.00 0.00 N ATOM 0 H GLN A 108 12.740 4.817 -4.206 1.00 0.00 H new ATOM 0 HA GLN A 108 10.175 3.949 -3.695 1.00 0.00 H new ATOM 0 HB2 GLN A 108 11.417 5.814 -2.570 1.00 0.00 H new ATOM 0 HB3 GLN A 108 11.164 6.813 -3.987 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.709 6.651 -3.666 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.958 5.644 -2.253 1.00 0.00 H new ATOM 0 HE21 GLN A 108 7.804 7.188 -0.975 1.00 0.00 H new ATOM 0 HE22 GLN A 108 8.581 8.687 -0.455 1.00 0.00 H new ATOM 1715 N GLU A 109 10.408 5.613 -6.522 1.00 0.00 N ATOM 1716 CA GLU A 109 9.702 5.935 -7.756 1.00 0.00 C ATOM 1717 C GLU A 109 9.318 4.665 -8.511 1.00 0.00 C ATOM 1718 O GLU A 109 8.151 4.455 -8.840 1.00 0.00 O ATOM 1719 CB GLU A 109 10.568 6.829 -8.647 1.00 0.00 C ATOM 1720 CG GLU A 109 10.142 6.831 -10.105 1.00 0.00 C ATOM 1721 CD GLU A 109 10.866 7.883 -10.923 1.00 0.00 C ATOM 1722 OE1 GLU A 109 11.177 8.956 -10.365 1.00 0.00 O ATOM 1723 OE2 GLU A 109 11.120 7.634 -12.120 1.00 0.00 O ATOM 0 H GLU A 109 11.394 5.873 -6.520 1.00 0.00 H new ATOM 0 HA GLU A 109 8.790 6.471 -7.493 1.00 0.00 H new ATOM 0 HB2 GLU A 109 10.534 7.850 -8.266 1.00 0.00 H new ATOM 0 HB3 GLU A 109 11.605 6.499 -8.581 1.00 0.00 H new ATOM 0 HG2 GLU A 109 10.331 5.848 -10.536 1.00 0.00 H new ATOM 0 HG3 GLU A 109 9.068 7.005 -10.165 1.00 0.00 H new ATOM 1730 N HIS A 110 10.310 3.823 -8.782 1.00 0.00 N ATOM 1731 CA HIS A 110 10.077 2.573 -9.498 1.00 0.00 C ATOM 1732 C HIS A 110 8.826 1.874 -8.977 1.00 0.00 C ATOM 1733 O HIS A 110 7.902 1.584 -9.738 1.00 0.00 O ATOM 1734 CB HIS A 110 11.287 1.649 -9.361 1.00 0.00 C ATOM 1735 CG HIS A 110 11.378 0.617 -10.442 1.00 0.00 C ATOM 1736 ND1 HIS A 110 11.364 0.930 -11.785 1.00 0.00 N ATOM 1737 CD2 HIS A 110 11.487 -0.731 -10.372 1.00 0.00 C ATOM 1738 CE1 HIS A 110 11.458 -0.181 -12.494 1.00 0.00 C ATOM 1739 NE2 HIS A 110 11.535 -1.202 -11.661 1.00 0.00 N ATOM 0 H HIS A 110 11.282 3.983 -8.517 1.00 0.00 H new ATOM 0 HA HIS A 110 9.928 2.809 -10.552 1.00 0.00 H new ATOM 0 HB2 HIS A 110 12.196 2.251 -9.367 1.00 0.00 H new ATOM 0 HB3 HIS A 110 11.243 1.148 -8.394 1.00 0.00 H new ATOM 0 HD2 HIS A 110 11.528 -1.325 -9.471 1.00 0.00 H new ATOM 0 HE1 HIS A 110 11.470 -0.243 -13.572 1.00 0.00 H new ATOM 0 HE2 HIS A 110 11.617 -2.182 -11.931 1.00 0.00 H new ATOM 1747 N ILE A 111 8.803 1.604 -7.676 1.00 0.00 N ATOM 1748 CA ILE A 111 7.666 0.939 -7.054 1.00 0.00 C ATOM 1749 C ILE A 111 6.373 1.706 -7.308 1.00 0.00 C ATOM 1750 O ILE A 111 5.343 1.117 -7.638 1.00 0.00 O ATOM 1751 CB ILE A 111 7.866 0.783 -5.534 1.00 0.00 C ATOM 1752 CG1 ILE A 111 9.093 -0.084 -5.246 1.00 0.00 C ATOM 1753 CG2 ILE A 111 6.624 0.181 -4.895 1.00 0.00 C ATOM 1754 CD1 ILE A 111 8.996 -1.480 -5.819 1.00 0.00 C ATOM 0 H ILE A 111 9.560 1.836 -7.032 1.00 0.00 H new ATOM 0 HA ILE A 111 7.594 -0.050 -7.507 1.00 0.00 H new ATOM 0 HB ILE A 111 8.031 1.770 -5.101 1.00 0.00 H new ATOM 0 HG12 ILE A 111 9.977 0.406 -5.653 1.00 0.00 H new ATOM 0 HG13 ILE A 111 9.234 -0.152 -4.167 1.00 0.00 H new ATOM 0 HG21 ILE A 111 6.781 0.077 -3.821 1.00 0.00 H new ATOM 0 HG22 ILE A 111 5.770 0.833 -5.075 1.00 0.00 H new ATOM 0 HG23 ILE A 111 6.430 -0.800 -5.330 1.00 0.00 H new ATOM 0 HD11 ILE A 111 9.901 -2.037 -5.576 1.00 0.00 H new ATOM 0 HD12 ILE A 111 8.131 -1.989 -5.393 1.00 0.00 H new ATOM 0 HD13 ILE A 111 8.886 -1.422 -6.902 1.00 0.00 H new ATOM 1766 N TYR A 112 6.434 3.024 -7.155 1.00 0.00 N ATOM 1767 CA TYR A 112 5.268 3.874 -7.368 1.00 0.00 C ATOM 1768 C TYR A 112 4.690 3.665 -8.765 1.00 0.00 C ATOM 1769 O TYR A 112 3.511 3.348 -8.920 1.00 0.00 O ATOM 1770 CB TYR A 112 5.640 5.345 -7.173 1.00 0.00 C ATOM 1771 CG TYR A 112 4.560 6.306 -7.613 1.00 0.00 C ATOM 1772 CD1 TYR A 112 4.300 6.520 -8.961 1.00 0.00 C ATOM 1773 CD2 TYR A 112 3.798 6.999 -6.681 1.00 0.00 C ATOM 1774 CE1 TYR A 112 3.314 7.398 -9.368 1.00 0.00 C ATOM 1775 CE2 TYR A 112 2.809 7.878 -7.078 1.00 0.00 C ATOM 1776 CZ TYR A 112 2.571 8.075 -8.423 1.00 0.00 C ATOM 1777 OH TYR A 112 1.587 8.949 -8.824 1.00 0.00 O ATOM 0 H TYR A 112 7.279 3.527 -6.884 1.00 0.00 H new ATOM 0 HA TYR A 112 4.510 3.598 -6.635 1.00 0.00 H new ATOM 0 HB2 TYR A 112 5.862 5.518 -6.120 1.00 0.00 H new ATOM 0 HB3 TYR A 112 6.552 5.557 -7.730 1.00 0.00 H new ATOM 0 HD1 TYR A 112 4.879 5.991 -9.704 1.00 0.00 H new ATOM 0 HD2 TYR A 112 3.982 6.848 -5.628 1.00 0.00 H new ATOM 0 HE1 TYR A 112 3.126 7.554 -10.420 1.00 0.00 H new ATOM 0 HE2 TYR A 112 2.225 8.408 -6.340 1.00 0.00 H new ATOM 0 HH TYR A 112 1.157 9.342 -8.036 1.00 0.00 H new ATOM 1787 N LYS A 113 5.530 3.845 -9.779 1.00 0.00 N ATOM 1788 CA LYS A 113 5.106 3.675 -11.163 1.00 0.00 C ATOM 1789 C LYS A 113 4.565 2.268 -11.398 1.00 0.00 C ATOM 1790 O LYS A 113 3.965 1.988 -12.436 1.00 0.00 O ATOM 1791 CB LYS A 113 6.274 3.950 -12.113 1.00 0.00 C ATOM 1792 CG LYS A 113 6.839 5.354 -11.993 1.00 0.00 C ATOM 1793 CD LYS A 113 8.134 5.503 -12.773 1.00 0.00 C ATOM 1794 CE LYS A 113 9.224 4.596 -12.222 1.00 0.00 C ATOM 1795 NZ LYS A 113 9.219 3.261 -12.881 1.00 0.00 N ATOM 0 H LYS A 113 6.509 4.109 -9.668 1.00 0.00 H new ATOM 0 HA LYS A 113 4.307 4.390 -11.363 1.00 0.00 H new ATOM 0 HB2 LYS A 113 7.068 3.230 -11.916 1.00 0.00 H new ATOM 0 HB3 LYS A 113 5.943 3.787 -13.139 1.00 0.00 H new ATOM 0 HG2 LYS A 113 6.107 6.074 -12.360 1.00 0.00 H new ATOM 0 HG3 LYS A 113 7.017 5.587 -10.943 1.00 0.00 H new ATOM 0 HD2 LYS A 113 7.957 5.266 -13.822 1.00 0.00 H new ATOM 0 HD3 LYS A 113 8.467 6.540 -12.733 1.00 0.00 H new ATOM 0 HE2 LYS A 113 10.196 5.068 -12.365 1.00 0.00 H new ATOM 0 HE3 LYS A 113 9.085 4.472 -11.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 8.893 2.541 -12.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 8.579 3.281 -13.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 10.181 3.027 -13.198 1.00 0.00 H new ATOM 1809 N LEU A 114 4.781 1.387 -10.428 1.00 0.00 N ATOM 1810 CA LEU A 114 4.314 0.009 -10.528 1.00 0.00 C ATOM 1811 C LEU A 114 2.975 -0.166 -9.818 1.00 0.00 C ATOM 1812 O LEU A 114 1.949 -0.399 -10.456 1.00 0.00 O ATOM 1813 CB LEU A 114 5.349 -0.946 -9.931 1.00 0.00 C ATOM 1814 CG LEU A 114 4.843 -2.342 -9.566 1.00 0.00 C ATOM 1815 CD1 LEU A 114 5.135 -3.326 -10.688 1.00 0.00 C ATOM 1816 CD2 LEU A 114 5.472 -2.814 -8.263 1.00 0.00 C ATOM 0 H LEU A 114 5.277 1.602 -9.563 1.00 0.00 H new ATOM 0 HA LEU A 114 4.178 -0.226 -11.584 1.00 0.00 H new ATOM 0 HB2 LEU A 114 6.168 -1.053 -10.642 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.764 -0.486 -9.034 1.00 0.00 H new ATOM 0 HG LEU A 114 3.763 -2.291 -9.427 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.768 -4.314 -10.410 1.00 0.00 H new ATOM 0 HD12 LEU A 114 4.637 -2.997 -11.600 1.00 0.00 H new ATOM 0 HD13 LEU A 114 6.210 -3.374 -10.859 1.00 0.00 H new ATOM 0 HD21 LEU A 114 5.100 -3.809 -8.019 1.00 0.00 H new ATOM 0 HD22 LEU A 114 6.556 -2.849 -8.374 1.00 0.00 H new ATOM 0 HD23 LEU A 114 5.211 -2.123 -7.462 1.00 0.00 H new ATOM 1828 N MET A 115 2.994 -0.049 -8.494 1.00 0.00 N ATOM 1829 CA MET A 115 1.780 -0.191 -7.698 1.00 0.00 C ATOM 1830 C MET A 115 0.650 0.656 -8.275 1.00 0.00 C ATOM 1831 O MET A 115 -0.526 0.316 -8.138 1.00 0.00 O ATOM 1832 CB MET A 115 2.047 0.213 -6.247 1.00 0.00 C ATOM 1833 CG MET A 115 3.217 -0.524 -5.616 1.00 0.00 C ATOM 1834 SD MET A 115 3.608 0.079 -3.962 1.00 0.00 S ATOM 1835 CE MET A 115 3.732 1.840 -4.266 1.00 0.00 C ATOM 0 H MET A 115 3.835 0.143 -7.950 1.00 0.00 H new ATOM 0 HA MET A 115 1.476 -1.237 -7.726 1.00 0.00 H new ATOM 0 HB2 MET A 115 2.239 1.285 -6.207 1.00 0.00 H new ATOM 0 HB3 MET A 115 1.150 0.028 -5.656 1.00 0.00 H new ATOM 0 HG2 MET A 115 2.986 -1.588 -5.565 1.00 0.00 H new ATOM 0 HG3 MET A 115 4.095 -0.418 -6.254 1.00 0.00 H new ATOM 0 HE1 MET A 115 4.587 2.244 -3.723 1.00 0.00 H new ATOM 0 HE2 MET A 115 3.864 2.017 -5.333 1.00 0.00 H new ATOM 0 HE3 MET A 115 2.821 2.333 -3.927 1.00 0.00 H new ATOM 1845 N LYS A 116 1.013 1.759 -8.919 1.00 0.00 N ATOM 1846 CA LYS A 116 0.030 2.655 -9.518 1.00 0.00 C ATOM 1847 C LYS A 116 -0.882 1.898 -10.478 1.00 0.00 C ATOM 1848 O LYS A 116 -2.102 2.057 -10.445 1.00 0.00 O ATOM 1849 CB LYS A 116 0.733 3.795 -10.257 1.00 0.00 C ATOM 1850 CG LYS A 116 1.522 3.338 -11.472 1.00 0.00 C ATOM 1851 CD LYS A 116 2.092 4.516 -12.243 1.00 0.00 C ATOM 1852 CE LYS A 116 1.072 5.096 -13.210 1.00 0.00 C ATOM 1853 NZ LYS A 116 0.790 4.168 -14.340 1.00 0.00 N ATOM 0 H LYS A 116 1.982 2.055 -9.040 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.581 3.072 -8.717 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.012 4.526 -10.572 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.407 4.303 -9.567 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.333 2.683 -11.155 1.00 0.00 H new ATOM 0 HG3 LYS A 116 0.877 2.752 -12.126 1.00 0.00 H new ATOM 0 HD2 LYS A 116 2.412 5.289 -11.544 1.00 0.00 H new ATOM 0 HD3 LYS A 116 2.977 4.198 -12.794 1.00 0.00 H new ATOM 0 HE2 LYS A 116 0.146 5.310 -12.676 1.00 0.00 H new ATOM 0 HE3 LYS A 116 1.441 6.044 -13.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 0.872 4.682 -15.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 1.474 3.385 -14.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -0.173 3.788 -14.245 1.00 0.00 H new ATOM 1867 N SER A 117 -0.282 1.073 -11.331 1.00 0.00 N ATOM 1868 CA SER A 117 -1.041 0.293 -12.301 1.00 0.00 C ATOM 1869 C SER A 117 -0.901 -1.201 -12.026 1.00 0.00 C ATOM 1870 O SER A 117 -1.203 -2.032 -12.883 1.00 0.00 O ATOM 1871 CB SER A 117 -0.568 0.608 -13.722 1.00 0.00 C ATOM 1872 OG SER A 117 -1.510 0.165 -14.683 1.00 0.00 O ATOM 0 H SER A 117 0.727 0.928 -11.370 1.00 0.00 H new ATOM 0 HA SER A 117 -2.092 0.565 -12.206 1.00 0.00 H new ATOM 0 HB2 SER A 117 -0.414 1.682 -13.828 1.00 0.00 H new ATOM 0 HB3 SER A 117 0.394 0.128 -13.903 1.00 0.00 H new ATOM 0 HG SER A 117 -1.788 -0.750 -14.471 1.00 0.00 H new ATOM 1878 N ASP A 118 -0.443 -1.534 -10.825 1.00 0.00 N ATOM 1879 CA ASP A 118 -0.264 -2.928 -10.434 1.00 0.00 C ATOM 1880 C ASP A 118 -1.382 -3.378 -9.499 1.00 0.00 C ATOM 1881 O ASP A 118 -2.143 -4.291 -9.819 1.00 0.00 O ATOM 1882 CB ASP A 118 1.094 -3.119 -9.756 1.00 0.00 C ATOM 1883 CG ASP A 118 2.144 -3.662 -10.705 1.00 0.00 C ATOM 1884 OD1 ASP A 118 2.717 -2.862 -11.475 1.00 0.00 O ATOM 1885 OD2 ASP A 118 2.393 -4.885 -10.679 1.00 0.00 O ATOM 0 H ASP A 118 -0.189 -0.858 -10.105 1.00 0.00 H new ATOM 0 HA ASP A 118 -0.301 -3.540 -11.335 1.00 0.00 H new ATOM 0 HB2 ASP A 118 1.432 -2.165 -9.352 1.00 0.00 H new ATOM 0 HB3 ASP A 118 0.983 -3.801 -8.913 1.00 0.00 H new ATOM 1890 N SER A 119 -1.474 -2.732 -8.341 1.00 0.00 N ATOM 1891 CA SER A 119 -2.495 -3.069 -7.356 1.00 0.00 C ATOM 1892 C SER A 119 -3.692 -2.130 -7.472 1.00 0.00 C ATOM 1893 O SER A 119 -4.830 -2.573 -7.630 1.00 0.00 O ATOM 1894 CB SER A 119 -1.914 -3.001 -5.943 1.00 0.00 C ATOM 1895 OG SER A 119 -0.811 -3.880 -5.802 1.00 0.00 O ATOM 0 H SER A 119 -0.854 -1.972 -8.062 1.00 0.00 H new ATOM 0 HA SER A 119 -2.833 -4.087 -7.553 1.00 0.00 H new ATOM 0 HB2 SER A 119 -1.600 -1.980 -5.724 1.00 0.00 H new ATOM 0 HB3 SER A 119 -2.684 -3.260 -5.217 1.00 0.00 H new ATOM 0 HG SER A 119 -0.055 -3.395 -5.410 1.00 0.00 H new ATOM 1901 N TYR A 120 -3.426 -0.831 -7.392 1.00 0.00 N ATOM 1902 CA TYR A 120 -4.481 0.172 -7.486 1.00 0.00 C ATOM 1903 C TYR A 120 -5.588 -0.288 -8.429 1.00 0.00 C ATOM 1904 O TYR A 120 -6.772 -0.274 -8.092 1.00 0.00 O ATOM 1905 CB TYR A 120 -3.905 1.505 -7.967 1.00 0.00 C ATOM 1906 CG TYR A 120 -4.913 2.377 -8.680 1.00 0.00 C ATOM 1907 CD1 TYR A 120 -5.814 3.158 -7.967 1.00 0.00 C ATOM 1908 CD2 TYR A 120 -4.963 2.422 -10.068 1.00 0.00 C ATOM 1909 CE1 TYR A 120 -6.737 3.956 -8.614 1.00 0.00 C ATOM 1910 CE2 TYR A 120 -5.882 3.219 -10.724 1.00 0.00 C ATOM 1911 CZ TYR A 120 -6.767 3.983 -9.993 1.00 0.00 C ATOM 1912 OH TYR A 120 -7.684 4.778 -10.642 1.00 0.00 O ATOM 0 H TYR A 120 -2.490 -0.448 -7.262 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.909 0.307 -6.493 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -3.507 2.050 -7.111 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -3.068 1.309 -8.637 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -5.792 3.141 -6.887 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -4.272 1.824 -10.644 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -7.431 4.555 -8.044 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -5.907 3.243 -11.803 1.00 0.00 H new ATOM 0 HH TYR A 120 -7.572 4.683 -11.611 1.00 0.00 H new ATOM 1922 N PRO A 121 -5.194 -0.705 -9.642 1.00 0.00 N ATOM 1923 CA PRO A 121 -6.137 -1.178 -10.660 1.00 0.00 C ATOM 1924 C PRO A 121 -7.134 -2.188 -10.103 1.00 0.00 C ATOM 1925 O PRO A 121 -8.340 -1.940 -10.087 1.00 0.00 O ATOM 1926 CB PRO A 121 -5.231 -1.840 -11.702 1.00 0.00 C ATOM 1927 CG PRO A 121 -3.916 -1.158 -11.548 1.00 0.00 C ATOM 1928 CD PRO A 121 -3.800 -0.749 -10.112 1.00 0.00 C ATOM 0 HA PRO A 121 -6.747 -0.367 -11.058 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -5.144 -2.912 -11.527 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -5.627 -1.713 -12.709 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -3.100 -1.826 -11.826 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -3.853 -0.289 -12.203 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -3.208 -1.463 -9.540 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -3.314 0.221 -10.011 1.00 0.00 H new ATOM 1936 N ARG A 122 -6.623 -3.327 -9.646 1.00 0.00 N ATOM 1937 CA ARG A 122 -7.470 -4.375 -9.089 1.00 0.00 C ATOM 1938 C ARG A 122 -8.307 -3.839 -7.931 1.00 0.00 C ATOM 1939 O ARG A 122 -9.528 -4.001 -7.907 1.00 0.00 O ATOM 1940 CB ARG A 122 -6.615 -5.551 -8.612 1.00 0.00 C ATOM 1941 CG ARG A 122 -5.731 -6.141 -9.699 1.00 0.00 C ATOM 1942 CD ARG A 122 -4.462 -6.743 -9.118 1.00 0.00 C ATOM 1943 NE ARG A 122 -3.889 -7.763 -9.993 1.00 0.00 N ATOM 1944 CZ ARG A 122 -3.244 -7.485 -11.121 1.00 0.00 C ATOM 1945 NH1 ARG A 122 -3.091 -6.227 -11.508 1.00 0.00 N ATOM 1946 NH2 ARG A 122 -2.752 -8.468 -11.864 1.00 0.00 N ATOM 0 H ARG A 122 -5.627 -3.547 -9.651 1.00 0.00 H new ATOM 0 HA ARG A 122 -8.144 -4.719 -9.874 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -5.987 -5.221 -7.784 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -7.270 -6.332 -8.224 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -6.283 -6.908 -10.242 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -5.471 -5.365 -10.419 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -3.729 -5.953 -8.953 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -4.682 -7.182 -8.145 1.00 0.00 H new ATOM 0 HE ARG A 122 -3.990 -8.742 -9.723 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -3.469 -5.469 -10.940 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -2.595 -6.017 -12.374 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -2.869 -9.438 -11.569 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -2.257 -8.254 -12.730 1.00 0.00 H new ATOM 1960 N PHE A 123 -7.643 -3.201 -6.973 1.00 0.00 N ATOM 1961 CA PHE A 123 -8.326 -2.642 -5.812 1.00 0.00 C ATOM 1962 C PHE A 123 -9.700 -2.102 -6.197 1.00 0.00 C ATOM 1963 O PHE A 123 -10.669 -2.255 -5.453 1.00 0.00 O ATOM 1964 CB PHE A 123 -7.484 -1.528 -5.186 1.00 0.00 C ATOM 1965 CG PHE A 123 -8.158 -0.845 -4.031 1.00 0.00 C ATOM 1966 CD1 PHE A 123 -8.666 -1.582 -2.974 1.00 0.00 C ATOM 1967 CD2 PHE A 123 -8.283 0.535 -4.002 1.00 0.00 C ATOM 1968 CE1 PHE A 123 -9.286 -0.956 -1.909 1.00 0.00 C ATOM 1969 CE2 PHE A 123 -8.902 1.166 -2.940 1.00 0.00 C ATOM 1970 CZ PHE A 123 -9.405 0.420 -1.892 1.00 0.00 C ATOM 0 H PHE A 123 -6.633 -3.058 -6.978 1.00 0.00 H new ATOM 0 HA PHE A 123 -8.461 -3.440 -5.082 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -6.536 -1.946 -4.848 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -7.251 -0.787 -5.950 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -8.577 -2.658 -2.982 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -7.892 1.124 -4.819 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -9.677 -1.542 -1.091 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -8.993 2.242 -2.929 1.00 0.00 H new ATOM 0 HZ PHE A 123 -9.890 0.911 -1.061 1.00 0.00 H new ATOM 1980 N ILE A 124 -9.775 -1.469 -7.363 1.00 0.00 N ATOM 1981 CA ILE A 124 -11.030 -0.907 -7.847 1.00 0.00 C ATOM 1982 C ILE A 124 -11.970 -2.002 -8.339 1.00 0.00 C ATOM 1983 O ILE A 124 -13.174 -1.961 -8.085 1.00 0.00 O ATOM 1984 CB ILE A 124 -10.792 0.101 -8.987 1.00 0.00 C ATOM 1985 CG1 ILE A 124 -9.933 1.268 -8.495 1.00 0.00 C ATOM 1986 CG2 ILE A 124 -12.119 0.606 -9.532 1.00 0.00 C ATOM 1987 CD1 ILE A 124 -9.273 2.045 -9.612 1.00 0.00 C ATOM 0 H ILE A 124 -8.982 -1.333 -7.990 1.00 0.00 H new ATOM 0 HA ILE A 124 -11.490 -0.389 -7.005 1.00 0.00 H new ATOM 0 HB ILE A 124 -10.258 -0.403 -9.793 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -10.555 1.946 -7.910 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -9.163 0.885 -7.825 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -11.935 1.317 -10.337 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -12.698 -0.234 -9.916 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -12.677 1.097 -8.734 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -8.680 2.857 -9.190 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -8.624 1.381 -10.183 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -10.038 2.458 -10.269 1.00 0.00 H new ATOM 1999 N ARG A 125 -11.411 -2.981 -9.043 1.00 0.00 N ATOM 2000 CA ARG A 125 -12.199 -4.088 -9.570 1.00 0.00 C ATOM 2001 C ARG A 125 -12.858 -4.874 -8.440 1.00 0.00 C ATOM 2002 O ARG A 125 -14.045 -5.194 -8.502 1.00 0.00 O ATOM 2003 CB ARG A 125 -11.317 -5.018 -10.405 1.00 0.00 C ATOM 2004 CG ARG A 125 -10.424 -4.286 -11.392 1.00 0.00 C ATOM 2005 CD ARG A 125 -11.240 -3.488 -12.397 1.00 0.00 C ATOM 2006 NE ARG A 125 -10.562 -3.372 -13.685 1.00 0.00 N ATOM 2007 CZ ARG A 125 -11.139 -2.887 -14.779 1.00 0.00 C ATOM 2008 NH1 ARG A 125 -12.398 -2.474 -14.740 1.00 0.00 N ATOM 2009 NH2 ARG A 125 -10.456 -2.814 -15.914 1.00 0.00 N ATOM 0 H ARG A 125 -10.416 -3.030 -9.261 1.00 0.00 H new ATOM 0 HA ARG A 125 -12.982 -3.673 -10.205 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -10.694 -5.612 -9.736 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -11.953 -5.715 -10.951 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -9.755 -3.616 -10.851 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -9.797 -5.005 -11.920 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -12.209 -3.967 -12.539 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -11.433 -2.492 -11.998 1.00 0.00 H new ATOM 0 HE ARG A 125 -9.592 -3.680 -13.748 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -12.926 -2.528 -13.869 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -12.839 -2.102 -15.581 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -9.487 -3.130 -15.947 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -10.900 -2.441 -16.753 1.00 0.00 H new ATOM 2023 N SER A 126 -12.079 -5.181 -7.408 1.00 0.00 N ATOM 2024 CA SER A 126 -12.584 -5.933 -6.265 1.00 0.00 C ATOM 2025 C SER A 126 -13.760 -5.209 -5.616 1.00 0.00 C ATOM 2026 O SER A 126 -14.114 -4.098 -6.011 1.00 0.00 O ATOM 2027 CB SER A 126 -11.473 -6.148 -5.236 1.00 0.00 C ATOM 2028 OG SER A 126 -10.476 -7.022 -5.737 1.00 0.00 O ATOM 0 H SER A 126 -11.095 -4.921 -7.340 1.00 0.00 H new ATOM 0 HA SER A 126 -12.929 -6.903 -6.624 1.00 0.00 H new ATOM 0 HB2 SER A 126 -11.024 -5.190 -4.976 1.00 0.00 H new ATOM 0 HB3 SER A 126 -11.896 -6.561 -4.320 1.00 0.00 H new ATOM 0 HG SER A 126 -10.069 -7.514 -4.994 1.00 0.00 H new ATOM 2034 N SER A 127 -14.362 -5.848 -4.618 1.00 0.00 N ATOM 2035 CA SER A 127 -15.501 -5.269 -3.916 1.00 0.00 C ATOM 2036 C SER A 127 -15.041 -4.470 -2.700 1.00 0.00 C ATOM 2037 O SER A 127 -15.629 -3.445 -2.359 1.00 0.00 O ATOM 2038 CB SER A 127 -16.473 -6.368 -3.481 1.00 0.00 C ATOM 2039 OG SER A 127 -17.169 -6.903 -4.593 1.00 0.00 O ATOM 0 H SER A 127 -14.080 -6.767 -4.277 1.00 0.00 H new ATOM 0 HA SER A 127 -16.012 -4.593 -4.601 1.00 0.00 H new ATOM 0 HB2 SER A 127 -15.925 -7.163 -2.974 1.00 0.00 H new ATOM 0 HB3 SER A 127 -17.186 -5.964 -2.762 1.00 0.00 H new ATOM 0 HG SER A 127 -17.782 -7.604 -4.289 1.00 0.00 H new ATOM 2045 N ALA A 128 -13.985 -4.949 -2.051 1.00 0.00 N ATOM 2046 CA ALA A 128 -13.443 -4.281 -0.875 1.00 0.00 C ATOM 2047 C ALA A 128 -13.529 -2.765 -1.017 1.00 0.00 C ATOM 2048 O ALA A 128 -13.744 -2.051 -0.037 1.00 0.00 O ATOM 2049 CB ALA A 128 -12.003 -4.710 -0.640 1.00 0.00 C ATOM 0 H ALA A 128 -13.488 -5.798 -2.320 1.00 0.00 H new ATOM 0 HA ALA A 128 -14.042 -4.574 -0.013 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -11.612 -4.203 0.242 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -11.965 -5.788 -0.485 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -11.399 -4.447 -1.508 1.00 0.00 H new ATOM 2055 N TYR A 129 -13.359 -2.280 -2.242 1.00 0.00 N ATOM 2056 CA TYR A 129 -13.413 -0.848 -2.511 1.00 0.00 C ATOM 2057 C TYR A 129 -14.852 -0.390 -2.733 1.00 0.00 C ATOM 2058 O TYR A 129 -15.264 0.659 -2.238 1.00 0.00 O ATOM 2059 CB TYR A 129 -12.562 -0.505 -3.735 1.00 0.00 C ATOM 2060 CG TYR A 129 -12.825 0.878 -4.287 1.00 0.00 C ATOM 2061 CD1 TYR A 129 -13.914 1.122 -5.115 1.00 0.00 C ATOM 2062 CD2 TYR A 129 -11.983 1.941 -3.982 1.00 0.00 C ATOM 2063 CE1 TYR A 129 -14.157 2.384 -5.622 1.00 0.00 C ATOM 2064 CE2 TYR A 129 -12.220 3.206 -4.483 1.00 0.00 C ATOM 2065 CZ TYR A 129 -13.308 3.422 -5.303 1.00 0.00 C ATOM 2066 OH TYR A 129 -13.546 4.681 -5.805 1.00 0.00 O ATOM 0 H TYR A 129 -13.183 -2.857 -3.064 1.00 0.00 H new ATOM 0 HA TYR A 129 -13.014 -0.325 -1.642 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -11.508 -0.586 -3.469 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -12.751 -1.241 -4.516 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -14.582 0.311 -5.366 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -11.129 1.775 -3.342 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -15.008 2.556 -6.265 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -11.557 4.022 -4.234 1.00 0.00 H new ATOM 0 HH TYR A 129 -12.855 5.297 -5.483 1.00 0.00 H new ATOM 2076 N GLN A 130 -15.610 -1.185 -3.481 1.00 0.00 N ATOM 2077 CA GLN A 130 -17.002 -0.862 -3.770 1.00 0.00 C ATOM 2078 C GLN A 130 -17.827 -0.815 -2.488 1.00 0.00 C ATOM 2079 O GLN A 130 -18.520 0.166 -2.220 1.00 0.00 O ATOM 2080 CB GLN A 130 -17.597 -1.889 -4.735 1.00 0.00 C ATOM 2081 CG GLN A 130 -16.912 -1.915 -6.092 1.00 0.00 C ATOM 2082 CD GLN A 130 -17.439 -0.848 -7.032 1.00 0.00 C ATOM 2083 OE1 GLN A 130 -18.644 -0.607 -7.103 1.00 0.00 O ATOM 2084 NE2 GLN A 130 -16.535 -0.202 -7.760 1.00 0.00 N ATOM 0 H GLN A 130 -15.284 -2.057 -3.898 1.00 0.00 H new ATOM 0 HA GLN A 130 -17.030 0.123 -4.236 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -17.531 -2.879 -4.285 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -18.656 -1.673 -4.876 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -15.839 -1.777 -5.956 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -17.052 -2.896 -6.547 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -15.546 -0.435 -7.669 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -16.830 0.527 -8.410 1.00 0.00 H new ATOM 2093 N GLU A 131 -17.747 -1.882 -1.699 1.00 0.00 N ATOM 2094 CA GLU A 131 -18.488 -1.962 -0.445 1.00 0.00 C ATOM 2095 C GLU A 131 -18.526 -0.605 0.251 1.00 0.00 C ATOM 2096 O GLU A 131 -19.544 -0.217 0.825 1.00 0.00 O ATOM 2097 CB GLU A 131 -17.857 -3.005 0.480 1.00 0.00 C ATOM 2098 CG GLU A 131 -16.436 -2.667 0.899 1.00 0.00 C ATOM 2099 CD GLU A 131 -15.974 -3.475 2.096 1.00 0.00 C ATOM 2100 OE1 GLU A 131 -16.521 -4.576 2.315 1.00 0.00 O ATOM 2101 OE2 GLU A 131 -15.066 -3.007 2.814 1.00 0.00 O ATOM 0 H GLU A 131 -17.177 -2.702 -1.906 1.00 0.00 H new ATOM 0 HA GLU A 131 -19.510 -2.262 -0.675 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -18.475 -3.108 1.372 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -17.858 -3.972 -0.023 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -15.762 -2.847 0.062 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -16.374 -1.605 1.136 1.00 0.00 H new ATOM 2108 N LEU A 132 -17.409 0.112 0.198 1.00 0.00 N ATOM 2109 CA LEU A 132 -17.312 1.426 0.824 1.00 0.00 C ATOM 2110 C LEU A 132 -18.260 2.418 0.157 1.00 0.00 C ATOM 2111 O LEU A 132 -18.980 3.156 0.831 1.00 0.00 O ATOM 2112 CB LEU A 132 -15.876 1.946 0.747 1.00 0.00 C ATOM 2113 CG LEU A 132 -14.813 1.085 1.433 1.00 0.00 C ATOM 2114 CD1 LEU A 132 -13.420 1.509 0.995 1.00 0.00 C ATOM 2115 CD2 LEU A 132 -14.950 1.174 2.946 1.00 0.00 C ATOM 0 H LEU A 132 -16.557 -0.195 -0.272 1.00 0.00 H new ATOM 0 HA LEU A 132 -17.599 1.324 1.871 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -15.605 2.054 -0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -15.847 2.943 1.187 1.00 0.00 H new ATOM 0 HG LEU A 132 -14.965 0.047 1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -12.677 0.886 1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -13.327 1.392 -0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -13.256 2.553 1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -14.186 0.556 3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -14.825 2.210 3.262 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -15.937 0.821 3.243 1.00 0.00 H new ATOM 2127 N LEU A 133 -18.257 2.429 -1.172 1.00 0.00 N ATOM 2128 CA LEU A 133 -19.118 3.329 -1.931 1.00 0.00 C ATOM 2129 C LEU A 133 -20.578 3.156 -1.526 1.00 0.00 C ATOM 2130 O LEU A 133 -21.219 4.098 -1.060 1.00 0.00 O ATOM 2131 CB LEU A 133 -18.959 3.073 -3.431 1.00 0.00 C ATOM 2132 CG LEU A 133 -17.792 3.786 -4.114 1.00 0.00 C ATOM 2133 CD1 LEU A 133 -17.506 3.163 -5.471 1.00 0.00 C ATOM 2134 CD2 LEU A 133 -18.086 5.272 -4.259 1.00 0.00 C ATOM 0 H LEU A 133 -17.668 1.825 -1.746 1.00 0.00 H new ATOM 0 HA LEU A 133 -18.818 4.353 -1.709 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -18.844 2.000 -3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -19.882 3.370 -3.930 1.00 0.00 H new ATOM 0 HG LEU A 133 -16.906 3.670 -3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -16.672 3.684 -5.942 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -17.251 2.111 -5.342 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -18.390 3.247 -6.103 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -17.244 5.763 -4.747 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -18.985 5.408 -4.861 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -18.240 5.710 -3.273 1.00 0.00 H new