USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 861 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 80 CYS SG : rot -134:sc= -0.87 USER MOD Set 1.2: A 103 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 25 HIS : no HE2:sc= -3.83 K(o=-4.5,f=-9.2!) USER MOD Set 2.2: A 39 MET CE :methyl -127:sc= -0.579 (180deg=-3.09!) USER MOD Set 2.3: A 55 TYR OH : rot 165:sc= -0.0989 USER MOD Set 3.1: A 23 TYR OH : rot 165:sc= 0 USER MOD Set 3.2: A 46 HIS :FLIP no HE2:sc= -0.958 F(o=-2.1!,f=-0.96) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 71:sc= 0.899 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 29 GLN : amide:sc= -0.0023 X(o=-0.0023,f=0) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.461 F(o=-2.8!,f=-0.46) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -100:sc= 0.00127 USER MOD Single : A 36 SER OG : rot -40:sc= 1.14 USER MOD Single : A 42 CYS SG : rot 25:sc= -1.7 USER MOD Single : A 47 ASN : amide:sc= -0.0388 X(o=-0.039,f=0) USER MOD Single : A 57 GLN : amide:sc=-0.00354 K(o=-0.0035,f=-2.6!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.73 K(o=-0.73,f=-3.4!) USER MOD Single : A 62 ASN : amide:sc= -0.355 X(o=-0.36,f=-0.14) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= -3.16! C(o=-3.2!,f=-3.5!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -99:sc= -1.08 USER MOD Single : A 76 THR OG1 : rot 105:sc= 0.845 USER MOD Single : A 77 HIS : no HD1:sc= -2.01! C(o=-2!,f=-4.4!) USER MOD Single : A 82 GLN : amide:sc= -0.0536 K(o=-0.054,f=-1.1) USER MOD Single : A 86 THR OG1 : rot 128:sc= 0.55 USER MOD Single : A 89 MET CE :methyl -101:sc= -6.93! (180deg=-7.15!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 77:sc= 0.585 USER MOD Single : A 105 GLN : amide:sc= -0.262 K(o=-0.26,f=-1.7) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 -12.291 -9.654 1.449 1.00 0.00 N ATOM 67 CA ILE A 8 -11.661 -8.405 1.041 1.00 0.00 C ATOM 68 C ILE A 8 -10.146 -8.557 0.952 1.00 0.00 C ATOM 69 O ILE A 8 -9.514 -8.052 0.024 1.00 0.00 O ATOM 70 CB ILE A 8 -11.995 -7.261 2.016 1.00 0.00 C ATOM 71 CG1 ILE A 8 -13.497 -6.967 1.998 1.00 0.00 C ATOM 72 CG2 ILE A 8 -11.202 -6.012 1.659 1.00 0.00 C ATOM 73 CD1 ILE A 8 -14.293 -7.837 2.945 1.00 0.00 C ATOM 0 HA ILE A 8 -12.057 -8.159 0.056 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.716 -7.570 3.023 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -13.658 -5.920 2.257 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.874 -7.106 0.985 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.449 -5.212 2.357 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.135 -6.229 1.718 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.453 -5.699 0.645 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.349 -7.574 2.880 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.162 -8.885 2.673 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.942 -7.680 3.965 1.00 0.00 H new ATOM 85 N LYS A 9 -9.570 -9.257 1.922 1.00 0.00 N ATOM 86 CA LYS A 9 -8.129 -9.480 1.954 1.00 0.00 C ATOM 87 C LYS A 9 -7.631 -10.008 0.612 1.00 0.00 C ATOM 88 O LYS A 9 -6.456 -9.862 0.276 1.00 0.00 O ATOM 89 CB LYS A 9 -7.769 -10.465 3.067 1.00 0.00 C ATOM 90 CG LYS A 9 -6.391 -10.232 3.664 1.00 0.00 C ATOM 91 CD LYS A 9 -5.327 -11.043 2.942 1.00 0.00 C ATOM 92 CE LYS A 9 -5.290 -12.480 3.438 1.00 0.00 C ATOM 93 NZ LYS A 9 -4.083 -13.203 2.952 1.00 0.00 N ATOM 0 H LYS A 9 -10.079 -9.681 2.698 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.643 -8.525 2.152 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.515 -10.394 3.858 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.818 -11.480 2.672 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -6.143 -9.172 3.607 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.401 -10.501 4.720 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.524 -11.032 1.870 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.351 -10.580 3.091 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.304 -12.489 4.528 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.186 -13.003 3.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.095 -14.179 3.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.082 -13.217 1.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.228 -12.719 3.292 1.00 0.00 H new ATOM 107 N GLN A 10 -8.532 -10.620 -0.149 1.00 0.00 N ATOM 108 CA GLN A 10 -8.182 -11.168 -1.455 1.00 0.00 C ATOM 109 C GLN A 10 -8.247 -10.091 -2.533 1.00 0.00 C ATOM 110 O GLN A 10 -7.358 -9.992 -3.378 1.00 0.00 O ATOM 111 CB GLN A 10 -9.119 -12.323 -1.813 1.00 0.00 C ATOM 112 CG GLN A 10 -8.707 -13.072 -3.071 1.00 0.00 C ATOM 113 CD GLN A 10 -7.770 -14.228 -2.781 1.00 0.00 C ATOM 114 OE1 GLN A 10 -8.154 -15.208 -2.143 1.00 0.00 O ATOM 115 NE2 GLN A 10 -6.533 -14.119 -3.250 1.00 0.00 N ATOM 0 H GLN A 10 -9.509 -10.749 0.115 1.00 0.00 H new ATOM 0 HA GLN A 10 -7.159 -11.541 -1.403 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.155 -13.023 -0.978 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -10.128 -11.934 -1.946 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -9.598 -13.449 -3.573 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -8.222 -12.380 -3.759 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.258 -13.288 -3.774 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.858 -14.866 -3.086 1.00 0.00 H new ATOM 124 N MET A 11 -9.305 -9.288 -2.496 1.00 0.00 N ATOM 125 CA MET A 11 -9.485 -8.217 -3.470 1.00 0.00 C ATOM 126 C MET A 11 -8.398 -7.158 -3.321 1.00 0.00 C ATOM 127 O MET A 11 -7.961 -6.558 -4.304 1.00 0.00 O ATOM 128 CB MET A 11 -10.864 -7.576 -3.307 1.00 0.00 C ATOM 129 CG MET A 11 -10.877 -6.398 -2.347 1.00 0.00 C ATOM 130 SD MET A 11 -12.486 -5.590 -2.261 1.00 0.00 S ATOM 131 CE MET A 11 -12.099 -3.988 -2.962 1.00 0.00 C ATOM 0 H MET A 11 -10.050 -9.358 -1.803 1.00 0.00 H new ATOM 0 HA MET A 11 -9.410 -8.651 -4.467 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.218 -7.243 -4.283 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.567 -8.330 -2.953 1.00 0.00 H new ATOM 0 HG2 MET A 11 -10.594 -6.742 -1.352 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.126 -5.672 -2.659 1.00 0.00 H new ATOM 0 HE1 MET A 11 -12.997 -3.371 -2.977 1.00 0.00 H new ATOM 0 HE2 MET A 11 -11.334 -3.501 -2.357 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.730 -4.116 -3.980 1.00 0.00 H new ATOM 141 N LEU A 12 -7.965 -6.931 -2.085 1.00 0.00 N ATOM 142 CA LEU A 12 -6.929 -5.943 -1.807 1.00 0.00 C ATOM 143 C LEU A 12 -5.608 -6.340 -2.460 1.00 0.00 C ATOM 144 O LEU A 12 -4.953 -5.521 -3.106 1.00 0.00 O ATOM 145 CB LEU A 12 -6.738 -5.787 -0.297 1.00 0.00 C ATOM 146 CG LEU A 12 -7.921 -5.199 0.472 1.00 0.00 C ATOM 147 CD1 LEU A 12 -7.709 -5.344 1.971 1.00 0.00 C ATOM 148 CD2 LEU A 12 -8.126 -3.738 0.100 1.00 0.00 C ATOM 0 H LEU A 12 -8.316 -7.418 -1.260 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.249 -4.989 -2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.508 -6.766 0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.868 -5.154 -0.125 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.819 -5.753 0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.561 -4.920 2.502 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.613 -6.400 2.224 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.801 -4.817 2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.972 -3.336 0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.228 -3.171 0.345 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.325 -3.659 -0.969 1.00 0.00 H new ATOM 160 N LEU A 13 -5.225 -7.600 -2.289 1.00 0.00 N ATOM 161 CA LEU A 13 -3.984 -8.107 -2.863 1.00 0.00 C ATOM 162 C LEU A 13 -4.007 -8.007 -4.385 1.00 0.00 C ATOM 163 O LEU A 13 -3.080 -7.477 -4.997 1.00 0.00 O ATOM 164 CB LEU A 13 -3.758 -9.559 -2.440 1.00 0.00 C ATOM 165 CG LEU A 13 -2.330 -10.087 -2.584 1.00 0.00 C ATOM 166 CD1 LEU A 13 -1.473 -9.636 -1.411 1.00 0.00 C ATOM 167 CD2 LEU A 13 -2.331 -11.604 -2.695 1.00 0.00 C ATOM 0 H LEU A 13 -5.756 -8.290 -1.757 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.164 -7.494 -2.489 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.059 -9.664 -1.398 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.420 -10.195 -3.028 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.902 -9.677 -3.498 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.460 -10.021 -1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.445 -8.547 -1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.898 -10.016 -0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.307 -11.962 -2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.778 -12.034 -1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.909 -11.904 -3.569 1.00 0.00 H new ATOM 179 N ASP A 14 -5.075 -8.518 -4.990 1.00 0.00 N ATOM 180 CA ASP A 14 -5.221 -8.483 -6.440 1.00 0.00 C ATOM 181 C ASP A 14 -5.232 -7.046 -6.951 1.00 0.00 C ATOM 182 O ASP A 14 -4.614 -6.734 -7.969 1.00 0.00 O ATOM 183 CB ASP A 14 -6.507 -9.197 -6.861 1.00 0.00 C ATOM 184 CG ASP A 14 -6.512 -9.560 -8.333 1.00 0.00 C ATOM 185 OD1 ASP A 14 -5.931 -10.607 -8.688 1.00 0.00 O ATOM 186 OD2 ASP A 14 -7.096 -8.797 -9.131 1.00 0.00 O ATOM 0 H ASP A 14 -5.851 -8.961 -4.498 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.367 -8.999 -6.879 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.628 -10.102 -6.266 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.362 -8.557 -6.645 1.00 0.00 H new ATOM 191 N TRP A 15 -5.939 -6.176 -6.239 1.00 0.00 N ATOM 192 CA TRP A 15 -6.032 -4.772 -6.622 1.00 0.00 C ATOM 193 C TRP A 15 -4.660 -4.106 -6.586 1.00 0.00 C ATOM 194 O TRP A 15 -4.265 -3.426 -7.534 1.00 0.00 O ATOM 195 CB TRP A 15 -6.996 -4.031 -5.693 1.00 0.00 C ATOM 196 CG TRP A 15 -6.960 -2.543 -5.864 1.00 0.00 C ATOM 197 CD1 TRP A 15 -7.722 -1.797 -6.717 1.00 0.00 C ATOM 198 CD2 TRP A 15 -6.117 -1.620 -5.166 1.00 0.00 C ATOM 199 NE1 TRP A 15 -7.404 -0.466 -6.591 1.00 0.00 N ATOM 200 CE2 TRP A 15 -6.422 -0.331 -5.646 1.00 0.00 C ATOM 201 CE3 TRP A 15 -5.135 -1.757 -4.181 1.00 0.00 C ATOM 202 CZ2 TRP A 15 -5.779 0.810 -5.173 1.00 0.00 C ATOM 203 CZ3 TRP A 15 -4.497 -0.623 -3.714 1.00 0.00 C ATOM 204 CH2 TRP A 15 -4.822 0.647 -4.209 1.00 0.00 C ATOM 0 H TRP A 15 -6.456 -6.418 -5.394 1.00 0.00 H new ATOM 0 HA TRP A 15 -6.412 -4.724 -7.642 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -8.010 -4.386 -5.876 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -6.754 -4.277 -4.659 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -8.466 -2.195 -7.392 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.830 0.298 -7.116 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -4.879 -2.731 -3.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.027 1.790 -5.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -3.735 -0.718 -2.955 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.307 1.514 -3.822 1.00 0.00 H new ATOM 215 N CYS A 16 -3.939 -4.306 -5.489 1.00 0.00 N ATOM 216 CA CYS A 16 -2.611 -3.725 -5.330 1.00 0.00 C ATOM 217 C CYS A 16 -1.739 -4.020 -6.546 1.00 0.00 C ATOM 218 O CYS A 16 -1.009 -3.152 -7.025 1.00 0.00 O ATOM 219 CB CYS A 16 -1.943 -4.265 -4.065 1.00 0.00 C ATOM 220 SG CYS A 16 -2.761 -3.772 -2.530 1.00 0.00 S ATOM 0 H CYS A 16 -4.252 -4.866 -4.696 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.723 -2.645 -5.240 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.917 -5.353 -4.117 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.908 -3.923 -4.039 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.901 -4.388 -2.429 1.00 0.00 H new ATOM 226 N ARG A 17 -1.820 -5.251 -7.041 1.00 0.00 N ATOM 227 CA ARG A 17 -1.036 -5.662 -8.199 1.00 0.00 C ATOM 228 C ARG A 17 -1.409 -4.838 -9.428 1.00 0.00 C ATOM 229 O ARG A 17 -0.540 -4.389 -10.174 1.00 0.00 O ATOM 230 CB ARG A 17 -1.250 -7.149 -8.485 1.00 0.00 C ATOM 231 CG ARG A 17 -0.402 -8.064 -7.617 1.00 0.00 C ATOM 232 CD ARG A 17 -1.022 -9.447 -7.493 1.00 0.00 C ATOM 233 NE ARG A 17 -0.973 -10.184 -8.753 1.00 0.00 N ATOM 234 CZ ARG A 17 -1.187 -11.492 -8.848 1.00 0.00 C ATOM 235 NH1 ARG A 17 -1.464 -12.202 -7.764 1.00 0.00 N ATOM 236 NH2 ARG A 17 -1.126 -12.091 -10.031 1.00 0.00 N ATOM 0 H ARG A 17 -2.421 -5.981 -6.658 1.00 0.00 H new ATOM 0 HA ARG A 17 0.016 -5.490 -7.973 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.302 -7.392 -8.334 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.025 -7.345 -9.533 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.597 -8.149 -8.044 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.289 -7.625 -6.626 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.497 -10.012 -6.722 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.058 -9.352 -7.169 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.763 -9.666 -9.607 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.513 -11.745 -6.854 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.628 -13.206 -7.840 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.915 -11.547 -10.868 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.290 -13.095 -10.103 1.00 0.00 H new ATOM 250 N ALA A 18 -2.708 -4.644 -9.632 1.00 0.00 N ATOM 251 CA ALA A 18 -3.197 -3.873 -10.769 1.00 0.00 C ATOM 252 C ALA A 18 -2.671 -2.443 -10.728 1.00 0.00 C ATOM 253 O ALA A 18 -2.528 -1.793 -11.765 1.00 0.00 O ATOM 254 CB ALA A 18 -4.718 -3.878 -10.795 1.00 0.00 C ATOM 0 H ALA A 18 -3.441 -5.010 -9.025 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.828 -4.342 -11.681 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.069 -3.299 -11.649 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.077 -4.904 -10.880 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.099 -3.435 -9.875 1.00 0.00 H new ATOM 260 N LYS A 19 -2.386 -1.956 -9.526 1.00 0.00 N ATOM 261 CA LYS A 19 -1.875 -0.601 -9.349 1.00 0.00 C ATOM 262 C LYS A 19 -0.353 -0.603 -9.249 1.00 0.00 C ATOM 263 O LYS A 19 0.279 0.454 -9.214 1.00 0.00 O ATOM 264 CB LYS A 19 -2.479 0.034 -8.095 1.00 0.00 C ATOM 265 CG LYS A 19 -3.998 0.039 -8.086 1.00 0.00 C ATOM 266 CD LYS A 19 -4.558 0.987 -9.133 1.00 0.00 C ATOM 267 CE LYS A 19 -5.963 0.584 -9.554 1.00 0.00 C ATOM 268 NZ LYS A 19 -6.605 1.621 -10.409 1.00 0.00 N ATOM 0 H LYS A 19 -2.500 -2.480 -8.658 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.163 -0.013 -10.221 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.121 -0.504 -7.217 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.120 1.060 -8.009 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.367 -0.970 -8.272 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.356 0.333 -7.099 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.573 2.002 -8.736 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.904 0.996 -10.005 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.923 -0.360 -10.097 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.574 0.416 -8.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.561 1.309 -10.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.667 2.516 -9.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.036 1.764 -11.268 1.00 0.00 H new ATOM 282 N THR A 20 0.232 -1.796 -9.205 1.00 0.00 N ATOM 283 CA THR A 20 1.680 -1.934 -9.110 1.00 0.00 C ATOM 284 C THR A 20 2.201 -2.961 -10.109 1.00 0.00 C ATOM 285 O THR A 20 3.296 -3.499 -9.946 1.00 0.00 O ATOM 286 CB THR A 20 2.112 -2.350 -7.691 1.00 0.00 C ATOM 287 OG1 THR A 20 1.624 -1.404 -6.733 1.00 0.00 O ATOM 288 CG2 THR A 20 3.627 -2.443 -7.593 1.00 0.00 C ATOM 0 H THR A 20 -0.275 -2.681 -9.234 1.00 0.00 H new ATOM 0 HA THR A 20 2.107 -0.958 -9.341 1.00 0.00 H new ATOM 0 HB THR A 20 1.689 -3.332 -7.479 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.902 -1.677 -5.834 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.909 -2.738 -6.582 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.993 -3.185 -8.303 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.067 -1.473 -7.823 1.00 0.00 H new ATOM 296 N ARG A 21 1.410 -3.227 -11.144 1.00 0.00 N ATOM 297 CA ARG A 21 1.793 -4.190 -12.169 1.00 0.00 C ATOM 298 C ARG A 21 2.809 -3.584 -13.132 1.00 0.00 C ATOM 299 O ARG A 21 2.621 -2.476 -13.634 1.00 0.00 O ATOM 300 CB ARG A 21 0.559 -4.660 -12.942 1.00 0.00 C ATOM 301 CG ARG A 21 -0.354 -3.527 -13.381 1.00 0.00 C ATOM 302 CD ARG A 21 -1.357 -3.991 -14.424 1.00 0.00 C ATOM 303 NE ARG A 21 -0.734 -4.198 -15.729 1.00 0.00 N ATOM 304 CZ ARG A 21 -1.405 -4.176 -16.875 1.00 0.00 C ATOM 305 NH1 ARG A 21 -2.713 -3.957 -16.878 1.00 0.00 N ATOM 306 NH2 ARG A 21 -0.768 -4.372 -18.022 1.00 0.00 N ATOM 0 H ARG A 21 0.501 -2.789 -11.294 1.00 0.00 H new ATOM 0 HA ARG A 21 2.253 -5.046 -11.675 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.882 -5.216 -13.822 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.008 -5.351 -12.319 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.885 -3.130 -12.516 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.245 -2.713 -13.788 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.821 -4.920 -14.093 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.153 -3.252 -14.515 1.00 0.00 H new ATOM 0 HE ARG A 21 0.271 -4.369 -15.762 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.207 -3.805 -15.998 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.225 -3.941 -17.760 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.238 -4.540 -18.024 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.284 -4.355 -18.902 1.00 0.00 H new ATOM 320 N GLY A 22 3.889 -4.318 -13.385 1.00 0.00 N ATOM 321 CA GLY A 22 4.919 -3.837 -14.286 1.00 0.00 C ATOM 322 C GLY A 22 6.171 -3.397 -13.553 1.00 0.00 C ATOM 323 O GLY A 22 7.287 -3.639 -14.015 1.00 0.00 O ATOM 0 H GLY A 22 4.068 -5.237 -12.981 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.174 -4.625 -14.995 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.529 -3.001 -14.866 1.00 0.00 H new ATOM 327 N TYR A 23 5.987 -2.748 -12.408 1.00 0.00 N ATOM 328 CA TYR A 23 7.111 -2.270 -11.612 1.00 0.00 C ATOM 329 C TYR A 23 8.170 -3.357 -11.457 1.00 0.00 C ATOM 330 O TYR A 23 7.883 -4.454 -10.979 1.00 0.00 O ATOM 331 CB TYR A 23 6.629 -1.812 -10.235 1.00 0.00 C ATOM 332 CG TYR A 23 5.938 -0.467 -10.252 1.00 0.00 C ATOM 333 CD1 TYR A 23 6.659 0.709 -10.084 1.00 0.00 C ATOM 334 CD2 TYR A 23 4.564 -0.372 -10.436 1.00 0.00 C ATOM 335 CE1 TYR A 23 6.033 1.940 -10.098 1.00 0.00 C ATOM 336 CE2 TYR A 23 3.929 0.855 -10.453 1.00 0.00 C ATOM 337 CZ TYR A 23 4.667 2.008 -10.283 1.00 0.00 C ATOM 338 OH TYR A 23 4.039 3.232 -10.299 1.00 0.00 O ATOM 0 H TYR A 23 5.071 -2.541 -12.011 1.00 0.00 H new ATOM 0 HA TYR A 23 7.559 -1.424 -12.133 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.944 -2.558 -9.832 1.00 0.00 H new ATOM 0 HB3 TYR A 23 7.482 -1.764 -9.558 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.728 0.659 -9.940 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.983 -1.273 -10.568 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.609 2.844 -9.965 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.860 0.911 -10.599 1.00 0.00 H new ATOM 0 HH TYR A 23 3.138 3.133 -10.672 1.00 0.00 H new ATOM 348 N GLU A 24 9.396 -3.042 -11.864 1.00 0.00 N ATOM 349 CA GLU A 24 10.499 -3.992 -11.770 1.00 0.00 C ATOM 350 C GLU A 24 10.868 -4.255 -10.313 1.00 0.00 C ATOM 351 O GLU A 24 10.467 -3.513 -9.416 1.00 0.00 O ATOM 352 CB GLU A 24 11.719 -3.467 -12.530 1.00 0.00 C ATOM 353 CG GLU A 24 12.759 -4.535 -12.822 1.00 0.00 C ATOM 354 CD GLU A 24 12.172 -5.748 -13.517 1.00 0.00 C ATOM 355 OE1 GLU A 24 11.545 -6.579 -12.829 1.00 0.00 O ATOM 356 OE2 GLU A 24 12.339 -5.865 -14.749 1.00 0.00 O ATOM 0 H GLU A 24 9.650 -2.138 -12.261 1.00 0.00 H new ATOM 0 HA GLU A 24 10.176 -4.931 -12.220 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.389 -3.026 -13.471 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.183 -2.669 -11.950 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.546 -4.110 -13.445 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.226 -4.847 -11.888 1.00 0.00 H new ATOM 363 N HIS A 25 11.634 -5.317 -10.085 1.00 0.00 N ATOM 364 CA HIS A 25 12.058 -5.679 -8.737 1.00 0.00 C ATOM 365 C HIS A 25 10.911 -5.513 -7.745 1.00 0.00 C ATOM 366 O HIS A 25 11.133 -5.249 -6.563 1.00 0.00 O ATOM 367 CB HIS A 25 13.249 -4.822 -8.307 1.00 0.00 C ATOM 368 CG HIS A 25 12.939 -3.358 -8.237 1.00 0.00 C ATOM 369 ND1 HIS A 25 11.991 -2.829 -7.386 1.00 0.00 N ATOM 370 CD2 HIS A 25 13.458 -2.310 -8.918 1.00 0.00 C ATOM 371 CE1 HIS A 25 11.940 -1.519 -7.547 1.00 0.00 C ATOM 372 NE2 HIS A 25 12.821 -1.178 -8.471 1.00 0.00 N ATOM 0 H HIS A 25 11.974 -5.942 -10.816 1.00 0.00 H new ATOM 0 HA HIS A 25 12.359 -6.727 -8.745 1.00 0.00 H new ATOM 0 HB2 HIS A 25 13.595 -5.159 -7.330 1.00 0.00 H new ATOM 0 HB3 HIS A 25 14.070 -4.978 -9.007 1.00 0.00 H new ATOM 0 HD1 HIS A 25 11.419 -3.366 -6.734 1.00 0.00 H new ATOM 0 HD2 HIS A 25 14.229 -2.355 -9.672 1.00 0.00 H new ATOM 0 HE1 HIS A 25 11.289 -0.842 -7.014 1.00 0.00 H new ATOM 381 N VAL A 26 9.685 -5.670 -8.233 1.00 0.00 N ATOM 382 CA VAL A 26 8.503 -5.539 -7.388 1.00 0.00 C ATOM 383 C VAL A 26 7.544 -6.704 -7.601 1.00 0.00 C ATOM 384 O VAL A 26 7.323 -7.142 -8.730 1.00 0.00 O ATOM 385 CB VAL A 26 7.760 -4.218 -7.665 1.00 0.00 C ATOM 386 CG1 VAL A 26 6.399 -4.219 -6.986 1.00 0.00 C ATOM 387 CG2 VAL A 26 8.594 -3.032 -7.206 1.00 0.00 C ATOM 0 H VAL A 26 9.484 -5.888 -9.209 1.00 0.00 H new ATOM 0 HA VAL A 26 8.849 -5.543 -6.355 1.00 0.00 H new ATOM 0 HB VAL A 26 7.603 -4.127 -8.740 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.889 -3.278 -7.193 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.802 -5.047 -7.368 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.529 -4.332 -5.910 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.054 -2.107 -7.409 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.784 -3.113 -6.136 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.542 -3.024 -7.744 1.00 0.00 H new ATOM 397 N ASP A 27 6.975 -7.202 -6.508 1.00 0.00 N ATOM 398 CA ASP A 27 6.037 -8.316 -6.574 1.00 0.00 C ATOM 399 C ASP A 27 5.218 -8.413 -5.291 1.00 0.00 C ATOM 400 O ASP A 27 5.748 -8.742 -4.229 1.00 0.00 O ATOM 401 CB ASP A 27 6.786 -9.627 -6.817 1.00 0.00 C ATOM 402 CG ASP A 27 8.099 -9.692 -6.063 1.00 0.00 C ATOM 403 OD1 ASP A 27 8.067 -9.888 -4.830 1.00 0.00 O ATOM 404 OD2 ASP A 27 9.160 -9.548 -6.706 1.00 0.00 O ATOM 0 H ASP A 27 7.147 -6.851 -5.566 1.00 0.00 H new ATOM 0 HA ASP A 27 5.356 -8.137 -7.406 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.156 -10.463 -6.515 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.977 -9.740 -7.884 1.00 0.00 H new ATOM 409 N ILE A 28 3.925 -8.125 -5.397 1.00 0.00 N ATOM 410 CA ILE A 28 3.034 -8.180 -4.245 1.00 0.00 C ATOM 411 C ILE A 28 2.330 -9.530 -4.159 1.00 0.00 C ATOM 412 O ILE A 28 1.329 -9.763 -4.836 1.00 0.00 O ATOM 413 CB ILE A 28 1.975 -7.064 -4.298 1.00 0.00 C ATOM 414 CG1 ILE A 28 2.649 -5.698 -4.442 1.00 0.00 C ATOM 415 CG2 ILE A 28 1.101 -7.102 -3.053 1.00 0.00 C ATOM 416 CD1 ILE A 28 1.718 -4.614 -4.940 1.00 0.00 C ATOM 0 H ILE A 28 3.471 -7.851 -6.269 1.00 0.00 H new ATOM 0 HA ILE A 28 3.654 -8.039 -3.360 1.00 0.00 H new ATOM 0 HB ILE A 28 1.339 -7.228 -5.168 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.057 -5.400 -3.476 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.490 -5.788 -5.130 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.358 -6.307 -3.106 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.597 -8.066 -2.992 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.722 -6.960 -2.168 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.263 -3.673 -5.018 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.329 -4.890 -5.920 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.890 -4.496 -4.241 1.00 0.00 H new ATOM 428 N GLN A 29 2.860 -10.416 -3.321 1.00 0.00 N ATOM 429 CA GLN A 29 2.281 -11.742 -3.146 1.00 0.00 C ATOM 430 C GLN A 29 1.498 -11.826 -1.839 1.00 0.00 C ATOM 431 O GLN A 29 0.469 -12.497 -1.763 1.00 0.00 O ATOM 432 CB GLN A 29 3.378 -12.808 -3.166 1.00 0.00 C ATOM 433 CG GLN A 29 3.968 -13.047 -4.546 1.00 0.00 C ATOM 434 CD GLN A 29 4.976 -14.180 -4.561 1.00 0.00 C ATOM 435 OE1 GLN A 29 6.155 -13.973 -4.849 1.00 0.00 O ATOM 436 NE2 GLN A 29 4.516 -15.386 -4.251 1.00 0.00 N ATOM 0 H GLN A 29 3.689 -10.239 -2.753 1.00 0.00 H new ATOM 0 HA GLN A 29 1.594 -11.922 -3.973 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.176 -12.510 -2.486 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.970 -13.745 -2.787 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.164 -13.272 -5.247 1.00 0.00 H new ATOM 0 HG3 GLN A 29 4.449 -12.133 -4.895 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.531 -15.512 -4.019 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.148 -16.187 -4.245 1.00 0.00 H new ATOM 445 N ASN A 30 1.993 -11.142 -0.813 1.00 0.00 N ATOM 446 CA ASN A 30 1.340 -11.140 0.491 1.00 0.00 C ATOM 447 C ASN A 30 1.829 -9.973 1.343 1.00 0.00 C ATOM 448 O ASN A 30 2.880 -9.392 1.073 1.00 0.00 O ATOM 449 CB ASN A 30 1.601 -12.462 1.217 1.00 0.00 C ATOM 450 CG ASN A 30 3.032 -12.936 1.057 1.00 0.00 C ATOM 451 OD1 ASN A 30 3.880 -12.596 2.021 1.00 0.00 O flip ATOM 452 ND2 ASN A 30 3.372 -13.600 0.077 1.00 0.00 N flip ATOM 0 H ASN A 30 2.844 -10.582 -0.859 1.00 0.00 H new ATOM 0 HA ASN A 30 0.268 -11.026 0.333 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.377 -12.342 2.277 1.00 0.00 H new ATOM 0 HB3 ASN A 30 0.923 -13.224 0.833 1.00 0.00 H new ATOM 0 HD21 ASN A 30 2.687 -13.839 -0.640 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.339 -13.911 -0.018 1.00 0.00 H new ATOM 459 N PHE A 31 1.061 -9.637 2.373 1.00 0.00 N ATOM 460 CA PHE A 31 1.415 -8.539 3.265 1.00 0.00 C ATOM 461 C PHE A 31 2.303 -9.030 4.405 1.00 0.00 C ATOM 462 O PHE A 31 2.085 -8.687 5.567 1.00 0.00 O ATOM 463 CB PHE A 31 0.153 -7.886 3.831 1.00 0.00 C ATOM 464 CG PHE A 31 -0.937 -7.706 2.814 1.00 0.00 C ATOM 465 CD1 PHE A 31 -0.807 -6.773 1.797 1.00 0.00 C ATOM 466 CD2 PHE A 31 -2.092 -8.469 2.874 1.00 0.00 C ATOM 467 CE1 PHE A 31 -1.808 -6.605 0.859 1.00 0.00 C ATOM 468 CE2 PHE A 31 -3.096 -8.305 1.938 1.00 0.00 C ATOM 469 CZ PHE A 31 -2.954 -7.372 0.930 1.00 0.00 C ATOM 0 H PHE A 31 0.189 -10.109 2.611 1.00 0.00 H new ATOM 0 HA PHE A 31 1.970 -7.799 2.688 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.224 -8.495 4.652 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.413 -6.913 4.249 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.087 -6.170 1.737 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.209 -9.200 3.661 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.694 -5.875 0.071 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.991 -8.906 1.995 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.738 -7.242 0.198 1.00 0.00 H new ATOM 479 N SER A 32 3.303 -9.836 4.064 1.00 0.00 N ATOM 480 CA SER A 32 4.221 -10.378 5.059 1.00 0.00 C ATOM 481 C SER A 32 5.615 -9.781 4.893 1.00 0.00 C ATOM 482 O SER A 32 6.137 -9.134 5.801 1.00 0.00 O ATOM 483 CB SER A 32 4.289 -11.902 4.943 1.00 0.00 C ATOM 484 OG SER A 32 4.758 -12.485 6.147 1.00 0.00 O ATOM 0 H SER A 32 3.498 -10.128 3.106 1.00 0.00 H new ATOM 0 HA SER A 32 3.846 -10.112 6.047 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.301 -12.296 4.705 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.949 -12.178 4.120 1.00 0.00 H new ATOM 0 HG SER A 32 4.791 -13.459 6.048 1.00 0.00 H new ATOM 490 N SER A 33 6.213 -10.004 3.728 1.00 0.00 N ATOM 491 CA SER A 33 7.549 -9.492 3.443 1.00 0.00 C ATOM 492 C SER A 33 7.571 -8.741 2.116 1.00 0.00 C ATOM 493 O SER A 33 8.305 -7.766 1.954 1.00 0.00 O ATOM 494 CB SER A 33 8.561 -10.639 3.411 1.00 0.00 C ATOM 495 OG SER A 33 8.184 -11.626 2.466 1.00 0.00 O ATOM 0 H SER A 33 5.794 -10.536 2.965 1.00 0.00 H new ATOM 0 HA SER A 33 7.823 -8.798 4.237 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.548 -10.250 3.161 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.637 -11.089 4.401 1.00 0.00 H new ATOM 0 HG SER A 33 8.848 -12.347 2.464 1.00 0.00 H new ATOM 501 N SER A 34 6.761 -9.202 1.168 1.00 0.00 N ATOM 502 CA SER A 34 6.690 -8.577 -0.148 1.00 0.00 C ATOM 503 C SER A 34 6.788 -7.059 -0.034 1.00 0.00 C ATOM 504 O SER A 34 7.248 -6.385 -0.956 1.00 0.00 O ATOM 505 CB SER A 34 5.387 -8.965 -0.850 1.00 0.00 C ATOM 506 OG SER A 34 5.280 -10.371 -0.986 1.00 0.00 O ATOM 0 H SER A 34 6.145 -10.006 1.287 1.00 0.00 H new ATOM 0 HA SER A 34 7.533 -8.934 -0.739 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.537 -8.586 -0.282 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.347 -8.497 -1.834 1.00 0.00 H new ATOM 0 HG SER A 34 5.532 -10.632 -1.896 1.00 0.00 H new ATOM 512 N TRP A 35 6.352 -6.528 1.103 1.00 0.00 N ATOM 513 CA TRP A 35 6.389 -5.089 1.338 1.00 0.00 C ATOM 514 C TRP A 35 7.639 -4.698 2.119 1.00 0.00 C ATOM 515 O TRP A 35 8.212 -3.631 1.897 1.00 0.00 O ATOM 516 CB TRP A 35 5.139 -4.643 2.097 1.00 0.00 C ATOM 517 CG TRP A 35 3.861 -5.078 1.445 1.00 0.00 C ATOM 518 CD1 TRP A 35 3.322 -6.333 1.455 1.00 0.00 C ATOM 519 CD2 TRP A 35 2.965 -4.260 0.686 1.00 0.00 C ATOM 520 NE1 TRP A 35 2.144 -6.344 0.747 1.00 0.00 N ATOM 521 CE2 TRP A 35 1.902 -5.084 0.266 1.00 0.00 C ATOM 522 CE3 TRP A 35 2.954 -2.911 0.322 1.00 0.00 C ATOM 523 CZ2 TRP A 35 0.844 -4.602 -0.499 1.00 0.00 C ATOM 524 CZ3 TRP A 35 1.904 -2.434 -0.438 1.00 0.00 C ATOM 525 CH2 TRP A 35 0.860 -3.278 -0.842 1.00 0.00 C ATOM 0 H TRP A 35 5.969 -7.072 1.876 1.00 0.00 H new ATOM 0 HA TRP A 35 6.416 -4.588 0.370 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.176 -5.043 3.110 1.00 0.00 H new ATOM 0 HB3 TRP A 35 5.143 -3.556 2.183 1.00 0.00 H new ATOM 0 HD1 TRP A 35 3.757 -7.190 1.947 1.00 0.00 H new ATOM 0 HE1 TRP A 35 1.547 -7.158 0.603 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.753 -2.253 0.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.039 -5.251 -0.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 1.887 -1.393 -0.726 1.00 0.00 H new ATOM 0 HH2 TRP A 35 0.053 -2.875 -1.436 1.00 0.00 H new ATOM 536 N SER A 36 8.057 -5.567 3.033 1.00 0.00 N ATOM 537 CA SER A 36 9.238 -5.310 3.849 1.00 0.00 C ATOM 538 C SER A 36 10.321 -4.610 3.033 1.00 0.00 C ATOM 539 O SER A 36 10.986 -3.695 3.518 1.00 0.00 O ATOM 540 CB SER A 36 9.783 -6.619 4.423 1.00 0.00 C ATOM 541 OG SER A 36 10.390 -7.406 3.413 1.00 0.00 O ATOM 0 H SER A 36 7.595 -6.456 3.227 1.00 0.00 H new ATOM 0 HA SER A 36 8.946 -4.655 4.670 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.510 -6.402 5.205 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.973 -7.181 4.888 1.00 0.00 H new ATOM 0 HG SER A 36 9.854 -7.358 2.594 1.00 0.00 H new ATOM 547 N ASP A 37 10.491 -5.048 1.790 1.00 0.00 N ATOM 548 CA ASP A 37 11.492 -4.464 0.905 1.00 0.00 C ATOM 549 C ASP A 37 11.414 -2.941 0.926 1.00 0.00 C ATOM 550 O ASP A 37 12.385 -2.265 1.263 1.00 0.00 O ATOM 551 CB ASP A 37 11.301 -4.977 -0.524 1.00 0.00 C ATOM 552 CG ASP A 37 9.851 -5.289 -0.838 1.00 0.00 C ATOM 553 OD1 ASP A 37 8.964 -4.771 -0.126 1.00 0.00 O ATOM 554 OD2 ASP A 37 9.602 -6.052 -1.795 1.00 0.00 O ATOM 0 H ASP A 37 9.949 -5.805 1.373 1.00 0.00 H new ATOM 0 HA ASP A 37 12.477 -4.764 1.263 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.669 -4.230 -1.227 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.902 -5.875 -0.668 1.00 0.00 H new ATOM 559 N GLY A 38 10.252 -2.407 0.563 1.00 0.00 N ATOM 560 CA GLY A 38 10.069 -0.967 0.547 1.00 0.00 C ATOM 561 C GLY A 38 9.538 -0.465 -0.781 1.00 0.00 C ATOM 562 O GLY A 38 8.416 0.033 -0.859 1.00 0.00 O ATOM 0 H GLY A 38 9.434 -2.946 0.280 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.379 -0.683 1.342 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.020 -0.480 0.762 1.00 0.00 H new ATOM 566 N MET A 39 10.347 -0.595 -1.827 1.00 0.00 N ATOM 567 CA MET A 39 9.952 -0.150 -3.158 1.00 0.00 C ATOM 568 C MET A 39 8.482 -0.462 -3.422 1.00 0.00 C ATOM 569 O MET A 39 7.778 0.318 -4.061 1.00 0.00 O ATOM 570 CB MET A 39 10.826 -0.816 -4.223 1.00 0.00 C ATOM 571 CG MET A 39 12.283 -0.386 -4.169 1.00 0.00 C ATOM 572 SD MET A 39 12.552 1.247 -4.883 1.00 0.00 S ATOM 573 CE MET A 39 13.826 0.884 -6.088 1.00 0.00 C ATOM 0 H MET A 39 11.280 -1.005 -1.779 1.00 0.00 H new ATOM 0 HA MET A 39 10.091 0.930 -3.208 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.770 -1.898 -4.103 1.00 0.00 H new ATOM 0 HB3 MET A 39 10.423 -0.584 -5.209 1.00 0.00 H new ATOM 0 HG2 MET A 39 12.619 -0.385 -3.132 1.00 0.00 H new ATOM 0 HG3 MET A 39 12.893 -1.116 -4.701 1.00 0.00 H new ATOM 0 HE1 MET A 39 14.671 1.556 -5.938 1.00 0.00 H new ATOM 0 HE2 MET A 39 14.157 -0.147 -5.968 1.00 0.00 H new ATOM 0 HE3 MET A 39 13.426 1.022 -7.093 1.00 0.00 H new ATOM 583 N ALA A 40 8.027 -1.608 -2.925 1.00 0.00 N ATOM 584 CA ALA A 40 6.641 -2.022 -3.106 1.00 0.00 C ATOM 585 C ALA A 40 5.684 -0.866 -2.837 1.00 0.00 C ATOM 586 O ALA A 40 4.997 -0.392 -3.742 1.00 0.00 O ATOM 587 CB ALA A 40 6.320 -3.199 -2.198 1.00 0.00 C ATOM 0 H ALA A 40 8.598 -2.266 -2.394 1.00 0.00 H new ATOM 0 HA ALA A 40 6.512 -2.332 -4.143 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.282 -3.498 -2.343 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.976 -4.035 -2.441 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.472 -2.909 -1.158 1.00 0.00 H new ATOM 593 N PHE A 41 5.642 -0.418 -1.586 1.00 0.00 N ATOM 594 CA PHE A 41 4.767 0.682 -1.197 1.00 0.00 C ATOM 595 C PHE A 41 4.888 1.846 -2.176 1.00 0.00 C ATOM 596 O PHE A 41 3.886 2.352 -2.683 1.00 0.00 O ATOM 597 CB PHE A 41 5.104 1.154 0.219 1.00 0.00 C ATOM 598 CG PHE A 41 4.332 0.437 1.289 1.00 0.00 C ATOM 599 CD1 PHE A 41 3.037 0.817 1.601 1.00 0.00 C ATOM 600 CD2 PHE A 41 4.902 -0.618 1.984 1.00 0.00 C ATOM 601 CE1 PHE A 41 2.323 0.159 2.585 1.00 0.00 C ATOM 602 CE2 PHE A 41 4.193 -1.280 2.969 1.00 0.00 C ATOM 603 CZ PHE A 41 2.903 -0.890 3.271 1.00 0.00 C ATOM 0 H PHE A 41 6.204 -0.800 -0.825 1.00 0.00 H new ATOM 0 HA PHE A 41 3.739 0.320 -1.216 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.170 1.014 0.396 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.906 2.223 0.294 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.579 1.638 1.069 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.911 -0.926 1.754 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.313 0.465 2.817 1.00 0.00 H new ATOM 0 HE2 PHE A 41 4.648 -2.102 3.502 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.349 -1.404 4.042 1.00 0.00 H new ATOM 613 N CYS A 42 6.121 2.266 -2.436 1.00 0.00 N ATOM 614 CA CYS A 42 6.375 3.372 -3.353 1.00 0.00 C ATOM 615 C CYS A 42 5.604 3.186 -4.656 1.00 0.00 C ATOM 616 O CYS A 42 4.713 3.970 -4.979 1.00 0.00 O ATOM 617 CB CYS A 42 7.872 3.487 -3.644 1.00 0.00 C ATOM 618 SG CYS A 42 8.853 4.071 -2.242 1.00 0.00 S ATOM 0 H CYS A 42 6.961 1.858 -2.025 1.00 0.00 H new ATOM 0 HA CYS A 42 6.033 4.291 -2.878 1.00 0.00 H new ATOM 0 HB2 CYS A 42 8.247 2.512 -3.955 1.00 0.00 H new ATOM 0 HB3 CYS A 42 8.017 4.167 -4.484 1.00 0.00 H new ATOM 0 HG CYS A 42 8.234 3.793 -1.133 1.00 0.00 H new ATOM 624 N ALA A 43 5.955 2.143 -5.401 1.00 0.00 N ATOM 625 CA ALA A 43 5.297 1.853 -6.669 1.00 0.00 C ATOM 626 C ALA A 43 3.787 2.038 -6.557 1.00 0.00 C ATOM 627 O ALA A 43 3.179 2.758 -7.350 1.00 0.00 O ATOM 628 CB ALA A 43 5.625 0.439 -7.123 1.00 0.00 C ATOM 0 H ALA A 43 6.692 1.484 -5.148 1.00 0.00 H new ATOM 0 HA ALA A 43 5.670 2.557 -7.413 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.127 0.236 -8.071 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.703 0.339 -7.251 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.281 -0.273 -6.373 1.00 0.00 H new ATOM 634 N LEU A 44 3.187 1.383 -5.570 1.00 0.00 N ATOM 635 CA LEU A 44 1.747 1.474 -5.355 1.00 0.00 C ATOM 636 C LEU A 44 1.291 2.929 -5.334 1.00 0.00 C ATOM 637 O LEU A 44 0.248 3.272 -5.892 1.00 0.00 O ATOM 638 CB LEU A 44 1.362 0.788 -4.043 1.00 0.00 C ATOM 639 CG LEU A 44 -0.136 0.617 -3.789 1.00 0.00 C ATOM 640 CD1 LEU A 44 -0.711 -0.459 -4.697 1.00 0.00 C ATOM 641 CD2 LEU A 44 -0.394 0.278 -2.328 1.00 0.00 C ATOM 0 H LEU A 44 3.675 0.783 -4.905 1.00 0.00 H new ATOM 0 HA LEU A 44 1.249 0.968 -6.182 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.829 -0.197 -4.021 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.787 1.361 -3.219 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.634 1.560 -4.016 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.778 -0.567 -4.502 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.559 -0.176 -5.738 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.209 -1.406 -4.502 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.465 0.160 -2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.116 -0.651 -2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.018 1.082 -1.696 1.00 0.00 H new ATOM 653 N VAL A 45 2.080 3.782 -4.689 1.00 0.00 N ATOM 654 CA VAL A 45 1.759 5.202 -4.598 1.00 0.00 C ATOM 655 C VAL A 45 2.088 5.924 -5.900 1.00 0.00 C ATOM 656 O VAL A 45 1.204 6.470 -6.560 1.00 0.00 O ATOM 657 CB VAL A 45 2.522 5.877 -3.443 1.00 0.00 C ATOM 658 CG1 VAL A 45 2.210 7.365 -3.394 1.00 0.00 C ATOM 659 CG2 VAL A 45 2.182 5.209 -2.119 1.00 0.00 C ATOM 0 H VAL A 45 2.946 3.515 -4.222 1.00 0.00 H new ATOM 0 HA VAL A 45 0.688 5.273 -4.407 1.00 0.00 H new ATOM 0 HB VAL A 45 3.591 5.760 -3.619 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.758 7.825 -2.572 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.508 7.830 -4.334 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.140 7.508 -3.242 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.730 5.698 -1.313 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.111 5.293 -1.933 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.461 4.156 -2.160 1.00 0.00 H new ATOM 669 N HIS A 46 3.366 5.922 -6.265 1.00 0.00 N ATOM 670 CA HIS A 46 3.813 6.577 -7.489 1.00 0.00 C ATOM 671 C HIS A 46 2.771 6.430 -8.594 1.00 0.00 C ATOM 672 O HIS A 46 2.477 7.385 -9.313 1.00 0.00 O ATOM 673 CB HIS A 46 5.147 5.989 -7.949 1.00 0.00 C ATOM 674 CG HIS A 46 5.739 6.697 -9.129 1.00 0.00 C ATOM 675 ND1 HIS A 46 6.246 7.947 -9.248 1.00 0.00 N flip ATOM 676 CD2 HIS A 46 5.859 6.117 -10.374 1.00 0.00 C flip ATOM 677 CE1 HIS A 46 6.658 8.097 -10.549 1.00 0.00 C flip ATOM 678 NE2 HIS A 46 6.414 6.978 -11.207 1.00 0.00 N flip ATOM 0 H HIS A 46 4.110 5.474 -5.731 1.00 0.00 H new ATOM 0 HA HIS A 46 3.946 7.638 -7.277 1.00 0.00 H new ATOM 0 HB2 HIS A 46 5.855 6.025 -7.121 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.004 4.938 -8.201 1.00 0.00 H new ATOM 0 HD1 HIS A 46 6.310 8.647 -8.509 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.548 5.115 -10.628 1.00 0.00 H new ATOM 0 HE1 HIS A 46 7.108 8.985 -10.967 1.00 0.00 H new ATOM 687 N ASN A 47 2.218 5.229 -8.724 1.00 0.00 N ATOM 688 CA ASN A 47 1.210 4.958 -9.743 1.00 0.00 C ATOM 689 C ASN A 47 0.126 6.031 -9.734 1.00 0.00 C ATOM 690 O ASN A 47 -0.233 6.575 -10.779 1.00 0.00 O ATOM 691 CB ASN A 47 0.583 3.581 -9.516 1.00 0.00 C ATOM 692 CG ASN A 47 -0.252 3.123 -10.696 1.00 0.00 C ATOM 693 OD1 ASN A 47 0.244 2.442 -11.594 1.00 0.00 O ATOM 694 ND2 ASN A 47 -1.526 3.498 -10.701 1.00 0.00 N ATOM 0 H ASN A 47 2.450 4.428 -8.137 1.00 0.00 H new ATOM 0 HA ASN A 47 1.700 4.970 -10.716 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.372 2.852 -9.328 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.041 3.612 -8.623 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.136 3.222 -11.470 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.895 4.062 -9.935 1.00 0.00 H new ATOM 701 N PHE A 48 -0.393 6.331 -8.548 1.00 0.00 N ATOM 702 CA PHE A 48 -1.437 7.339 -8.403 1.00 0.00 C ATOM 703 C PHE A 48 -0.877 8.739 -8.638 1.00 0.00 C ATOM 704 O PHE A 48 -1.322 9.455 -9.535 1.00 0.00 O ATOM 705 CB PHE A 48 -2.065 7.255 -7.010 1.00 0.00 C ATOM 706 CG PHE A 48 -2.149 5.855 -6.473 1.00 0.00 C ATOM 707 CD1 PHE A 48 -2.661 4.830 -7.252 1.00 0.00 C ATOM 708 CD2 PHE A 48 -1.715 5.564 -5.190 1.00 0.00 C ATOM 709 CE1 PHE A 48 -2.740 3.541 -6.760 1.00 0.00 C ATOM 710 CE2 PHE A 48 -1.791 4.277 -4.692 1.00 0.00 C ATOM 711 CZ PHE A 48 -2.303 3.263 -5.479 1.00 0.00 C ATOM 0 H PHE A 48 -0.108 5.891 -7.673 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.204 7.144 -9.152 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.482 7.866 -6.320 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.067 7.682 -7.046 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.002 5.041 -8.255 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.312 6.352 -4.571 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.143 2.751 -7.377 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.451 4.064 -3.689 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.361 2.256 -5.094 1.00 0.00 H new ATOM 721 N PHE A 49 0.101 9.123 -7.824 1.00 0.00 N ATOM 722 CA PHE A 49 0.720 10.438 -7.941 1.00 0.00 C ATOM 723 C PHE A 49 2.185 10.314 -8.350 1.00 0.00 C ATOM 724 O PHE A 49 3.088 10.275 -7.514 1.00 0.00 O ATOM 725 CB PHE A 49 0.611 11.196 -6.617 1.00 0.00 C ATOM 726 CG PHE A 49 -0.746 11.098 -5.980 1.00 0.00 C ATOM 727 CD1 PHE A 49 -1.770 11.947 -6.367 1.00 0.00 C ATOM 728 CD2 PHE A 49 -0.997 10.156 -4.995 1.00 0.00 C ATOM 729 CE1 PHE A 49 -3.019 11.859 -5.781 1.00 0.00 C ATOM 730 CE2 PHE A 49 -2.244 10.063 -4.407 1.00 0.00 C ATOM 731 CZ PHE A 49 -3.257 10.915 -4.801 1.00 0.00 C ATOM 0 H PHE A 49 0.482 8.542 -7.077 1.00 0.00 H new ATOM 0 HA PHE A 49 0.190 10.994 -8.714 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.358 10.809 -5.924 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.848 12.246 -6.788 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.591 12.685 -7.135 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.209 9.487 -4.683 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.809 12.528 -6.089 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.426 9.325 -3.640 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.233 10.843 -4.344 1.00 0.00 H new ATOM 741 N PRO A 50 2.428 10.249 -9.668 1.00 0.00 N ATOM 742 CA PRO A 50 3.781 10.129 -10.218 1.00 0.00 C ATOM 743 C PRO A 50 4.599 11.402 -10.031 1.00 0.00 C ATOM 744 O PRO A 50 5.789 11.346 -9.722 1.00 0.00 O ATOM 745 CB PRO A 50 3.536 9.865 -11.706 1.00 0.00 C ATOM 746 CG PRO A 50 2.200 10.463 -11.982 1.00 0.00 C ATOM 747 CD PRO A 50 1.400 10.290 -10.721 1.00 0.00 C ATOM 0 HA PRO A 50 4.355 9.347 -9.720 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.310 10.323 -12.322 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.545 8.797 -11.925 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.291 11.517 -12.245 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.716 9.966 -12.822 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.703 11.115 -10.571 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.810 9.374 -10.742 1.00 0.00 H new ATOM 755 N GLU A 51 3.952 12.548 -10.219 1.00 0.00 N ATOM 756 CA GLU A 51 4.621 13.836 -10.070 1.00 0.00 C ATOM 757 C GLU A 51 4.982 14.096 -8.611 1.00 0.00 C ATOM 758 O GLU A 51 6.002 14.718 -8.314 1.00 0.00 O ATOM 759 CB GLU A 51 3.730 14.963 -10.595 1.00 0.00 C ATOM 760 CG GLU A 51 2.365 15.019 -9.929 1.00 0.00 C ATOM 761 CD GLU A 51 1.564 16.239 -10.343 1.00 0.00 C ATOM 762 OE1 GLU A 51 1.878 17.347 -9.860 1.00 0.00 O ATOM 763 OE2 GLU A 51 0.624 16.084 -11.151 1.00 0.00 O ATOM 0 H GLU A 51 2.967 12.611 -10.474 1.00 0.00 H new ATOM 0 HA GLU A 51 5.541 13.808 -10.654 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.238 15.916 -10.445 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.596 14.839 -11.670 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.805 14.118 -10.181 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.493 15.023 -8.847 1.00 0.00 H new ATOM 770 N ALA A 52 4.139 13.615 -7.704 1.00 0.00 N ATOM 771 CA ALA A 52 4.368 13.793 -6.275 1.00 0.00 C ATOM 772 C ALA A 52 5.816 13.484 -5.910 1.00 0.00 C ATOM 773 O ALA A 52 6.435 14.201 -5.123 1.00 0.00 O ATOM 774 CB ALA A 52 3.420 12.914 -5.474 1.00 0.00 C ATOM 0 H ALA A 52 3.290 13.098 -7.933 1.00 0.00 H new ATOM 0 HA ALA A 52 4.172 14.836 -6.028 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.603 13.058 -4.409 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.390 13.185 -5.705 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.587 11.868 -5.733 1.00 0.00 H new ATOM 780 N PHE A 53 6.351 12.412 -6.485 1.00 0.00 N ATOM 781 CA PHE A 53 7.726 12.007 -6.218 1.00 0.00 C ATOM 782 C PHE A 53 8.262 11.126 -7.342 1.00 0.00 C ATOM 783 O PHE A 53 7.497 10.594 -8.147 1.00 0.00 O ATOM 784 CB PHE A 53 7.810 11.260 -4.885 1.00 0.00 C ATOM 785 CG PHE A 53 7.240 9.871 -4.939 1.00 0.00 C ATOM 786 CD1 PHE A 53 5.885 9.673 -5.151 1.00 0.00 C ATOM 787 CD2 PHE A 53 8.058 8.765 -4.778 1.00 0.00 C ATOM 788 CE1 PHE A 53 5.358 8.396 -5.201 1.00 0.00 C ATOM 789 CE2 PHE A 53 7.537 7.486 -4.826 1.00 0.00 C ATOM 790 CZ PHE A 53 6.185 7.302 -5.039 1.00 0.00 C ATOM 0 H PHE A 53 5.853 11.808 -7.139 1.00 0.00 H new ATOM 0 HA PHE A 53 8.339 12.907 -6.162 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.853 11.204 -4.574 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.281 11.832 -4.123 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.234 10.525 -5.278 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.116 8.904 -4.613 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.300 8.254 -5.367 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.186 6.632 -4.697 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.775 6.304 -5.079 1.00 0.00 H new ATOM 800 N ASP A 54 9.581 10.977 -7.392 1.00 0.00 N ATOM 801 CA ASP A 54 10.220 10.160 -8.417 1.00 0.00 C ATOM 802 C ASP A 54 10.453 8.739 -7.912 1.00 0.00 C ATOM 803 O ASP A 54 10.733 8.527 -6.732 1.00 0.00 O ATOM 804 CB ASP A 54 11.548 10.787 -8.844 1.00 0.00 C ATOM 805 CG ASP A 54 11.362 11.916 -9.838 1.00 0.00 C ATOM 806 OD1 ASP A 54 10.508 12.792 -9.588 1.00 0.00 O ATOM 807 OD2 ASP A 54 12.070 11.924 -10.867 1.00 0.00 O ATOM 0 H ASP A 54 10.229 11.411 -6.735 1.00 0.00 H new ATOM 0 HA ASP A 54 9.554 10.115 -9.279 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.068 11.164 -7.963 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.184 10.019 -9.285 1.00 0.00 H new ATOM 812 N TYR A 55 10.335 7.770 -8.813 1.00 0.00 N ATOM 813 CA TYR A 55 10.529 6.369 -8.459 1.00 0.00 C ATOM 814 C TYR A 55 11.976 5.944 -8.692 1.00 0.00 C ATOM 815 O TYR A 55 12.658 5.493 -7.773 1.00 0.00 O ATOM 816 CB TYR A 55 9.587 5.480 -9.273 1.00 0.00 C ATOM 817 CG TYR A 55 9.497 4.062 -8.758 1.00 0.00 C ATOM 818 CD1 TYR A 55 8.893 3.783 -7.538 1.00 0.00 C ATOM 819 CD2 TYR A 55 10.016 3.001 -9.489 1.00 0.00 C ATOM 820 CE1 TYR A 55 8.808 2.488 -7.062 1.00 0.00 C ATOM 821 CE2 TYR A 55 9.935 1.704 -9.022 1.00 0.00 C ATOM 822 CZ TYR A 55 9.331 1.452 -7.808 1.00 0.00 C ATOM 823 OH TYR A 55 9.249 0.161 -7.339 1.00 0.00 O ATOM 0 H TYR A 55 10.106 7.929 -9.794 1.00 0.00 H new ATOM 0 HA TYR A 55 10.301 6.253 -7.399 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.591 5.922 -9.270 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.924 5.461 -10.309 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.483 4.592 -6.952 1.00 0.00 H new ATOM 0 HD2 TYR A 55 10.491 3.194 -10.439 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.335 2.288 -6.112 1.00 0.00 H new ATOM 0 HE2 TYR A 55 10.343 0.891 -9.605 1.00 0.00 H new ATOM 0 HH TYR A 55 9.439 -0.465 -8.069 1.00 0.00 H new ATOM 833 N GLY A 56 12.437 6.092 -9.930 1.00 0.00 N ATOM 834 CA GLY A 56 13.800 5.720 -10.263 1.00 0.00 C ATOM 835 C GLY A 56 14.819 6.379 -9.355 1.00 0.00 C ATOM 836 O GLY A 56 15.929 5.873 -9.188 1.00 0.00 O ATOM 0 H GLY A 56 11.891 6.463 -10.708 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.905 4.637 -10.196 1.00 0.00 H new ATOM 0 HA3 GLY A 56 14.007 5.997 -11.297 1.00 0.00 H new ATOM 840 N GLN A 57 14.443 7.510 -8.768 1.00 0.00 N ATOM 841 CA GLN A 57 15.334 8.240 -7.874 1.00 0.00 C ATOM 842 C GLN A 57 15.583 7.453 -6.592 1.00 0.00 C ATOM 843 O GLN A 57 16.695 7.444 -6.062 1.00 0.00 O ATOM 844 CB GLN A 57 14.745 9.611 -7.539 1.00 0.00 C ATOM 845 CG GLN A 57 15.103 10.690 -8.547 1.00 0.00 C ATOM 846 CD GLN A 57 15.094 12.080 -7.942 1.00 0.00 C ATOM 847 OE1 GLN A 57 14.059 12.746 -7.903 1.00 0.00 O ATOM 848 NE2 GLN A 57 16.250 12.526 -7.465 1.00 0.00 N ATOM 0 H GLN A 57 13.527 7.941 -8.895 1.00 0.00 H new ATOM 0 HA GLN A 57 16.287 8.378 -8.385 1.00 0.00 H new ATOM 0 HB2 GLN A 57 13.660 9.526 -7.480 1.00 0.00 H new ATOM 0 HB3 GLN A 57 15.095 9.916 -6.553 1.00 0.00 H new ATOM 0 HG2 GLN A 57 16.091 10.484 -8.959 1.00 0.00 H new ATOM 0 HG3 GLN A 57 14.398 10.655 -9.377 1.00 0.00 H new ATOM 0 HE21 GLN A 57 17.083 11.940 -7.518 1.00 0.00 H new ATOM 0 HE22 GLN A 57 16.305 13.454 -7.046 1.00 0.00 H new ATOM 857 N LEU A 58 14.542 6.793 -6.097 1.00 0.00 N ATOM 858 CA LEU A 58 14.647 6.002 -4.876 1.00 0.00 C ATOM 859 C LEU A 58 15.516 4.769 -5.099 1.00 0.00 C ATOM 860 O LEU A 58 15.917 4.475 -6.225 1.00 0.00 O ATOM 861 CB LEU A 58 13.257 5.581 -4.396 1.00 0.00 C ATOM 862 CG LEU A 58 12.260 6.715 -4.151 1.00 0.00 C ATOM 863 CD1 LEU A 58 10.837 6.179 -4.133 1.00 0.00 C ATOM 864 CD2 LEU A 58 12.578 7.433 -2.848 1.00 0.00 C ATOM 0 H LEU A 58 13.615 6.790 -6.523 1.00 0.00 H new ATOM 0 HA LEU A 58 15.116 6.621 -4.111 1.00 0.00 H new ATOM 0 HB2 LEU A 58 12.830 4.902 -5.134 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.370 5.017 -3.470 1.00 0.00 H new ATOM 0 HG LEU A 58 12.346 7.432 -4.967 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.141 7.000 -3.958 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.612 5.711 -5.092 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.736 5.441 -3.337 1.00 0.00 H new ATOM 0 HD21 LEU A 58 11.858 8.236 -2.690 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.520 6.727 -2.020 1.00 0.00 H new ATOM 0 HD23 LEU A 58 13.583 7.851 -2.899 1.00 0.00 H new ATOM 876 N SER A 59 15.801 4.049 -4.019 1.00 0.00 N ATOM 877 CA SER A 59 16.623 2.847 -4.096 1.00 0.00 C ATOM 878 C SER A 59 16.027 1.726 -3.250 1.00 0.00 C ATOM 879 O SER A 59 15.364 1.961 -2.239 1.00 0.00 O ATOM 880 CB SER A 59 18.049 3.149 -3.632 1.00 0.00 C ATOM 881 OG SER A 59 18.780 3.827 -4.639 1.00 0.00 O ATOM 0 H SER A 59 15.475 4.277 -3.080 1.00 0.00 H new ATOM 0 HA SER A 59 16.648 2.520 -5.135 1.00 0.00 H new ATOM 0 HB2 SER A 59 18.019 3.757 -2.728 1.00 0.00 H new ATOM 0 HB3 SER A 59 18.556 2.219 -3.374 1.00 0.00 H new ATOM 0 HG SER A 59 19.687 4.010 -4.317 1.00 0.00 H new ATOM 887 N PRO A 60 16.269 0.475 -3.671 1.00 0.00 N ATOM 888 CA PRO A 60 15.766 -0.708 -2.967 1.00 0.00 C ATOM 889 C PRO A 60 16.458 -0.922 -1.626 1.00 0.00 C ATOM 890 O PRO A 60 15.811 -1.228 -0.625 1.00 0.00 O ATOM 891 CB PRO A 60 16.092 -1.856 -3.926 1.00 0.00 C ATOM 892 CG PRO A 60 17.246 -1.364 -4.728 1.00 0.00 C ATOM 893 CD PRO A 60 17.051 0.121 -4.867 1.00 0.00 C ATOM 0 HA PRO A 60 14.706 -0.621 -2.729 1.00 0.00 H new ATOM 0 HB2 PRO A 60 16.347 -2.766 -3.382 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.240 -2.094 -4.563 1.00 0.00 H new ATOM 0 HG2 PRO A 60 18.190 -1.589 -4.232 1.00 0.00 H new ATOM 0 HG3 PRO A 60 17.276 -1.847 -5.705 1.00 0.00 H new ATOM 0 HD2 PRO A 60 18.003 0.650 -4.896 1.00 0.00 H new ATOM 0 HD3 PRO A 60 16.519 0.372 -5.784 1.00 0.00 H new ATOM 901 N GLN A 61 17.777 -0.759 -1.613 1.00 0.00 N ATOM 902 CA GLN A 61 18.557 -0.935 -0.393 1.00 0.00 C ATOM 903 C GLN A 61 17.965 -0.121 0.753 1.00 0.00 C ATOM 904 O GLN A 61 18.107 -0.481 1.921 1.00 0.00 O ATOM 905 CB GLN A 61 20.011 -0.524 -0.628 1.00 0.00 C ATOM 906 CG GLN A 61 20.895 -1.662 -1.112 1.00 0.00 C ATOM 907 CD GLN A 61 20.604 -2.057 -2.547 1.00 0.00 C ATOM 908 OE1 GLN A 61 20.258 -1.215 -3.377 1.00 0.00 O ATOM 909 NE2 GLN A 61 20.743 -3.343 -2.847 1.00 0.00 N ATOM 0 H GLN A 61 18.328 -0.505 -2.433 1.00 0.00 H new ATOM 0 HA GLN A 61 18.525 -1.990 -0.120 1.00 0.00 H new ATOM 0 HB2 GLN A 61 20.038 0.283 -1.361 1.00 0.00 H new ATOM 0 HB3 GLN A 61 20.422 -0.126 0.300 1.00 0.00 H new ATOM 0 HG2 GLN A 61 21.941 -1.367 -1.025 1.00 0.00 H new ATOM 0 HG3 GLN A 61 20.753 -2.528 -0.465 1.00 0.00 H new ATOM 0 HE21 GLN A 61 21.032 -4.006 -2.128 1.00 0.00 H new ATOM 0 HE22 GLN A 61 20.561 -3.668 -3.797 1.00 0.00 H new ATOM 918 N ASN A 62 17.300 0.978 0.411 1.00 0.00 N ATOM 919 CA ASN A 62 16.687 1.843 1.412 1.00 0.00 C ATOM 920 C ASN A 62 15.383 1.242 1.925 1.00 0.00 C ATOM 921 O ASN A 62 14.326 1.414 1.317 1.00 0.00 O ATOM 922 CB ASN A 62 16.426 3.232 0.824 1.00 0.00 C ATOM 923 CG ASN A 62 17.597 4.174 1.024 1.00 0.00 C ATOM 924 OD1 ASN A 62 18.058 4.380 2.147 1.00 0.00 O ATOM 925 ND2 ASN A 62 18.083 4.753 -0.068 1.00 0.00 N ATOM 0 H ASN A 62 17.172 1.290 -0.552 1.00 0.00 H new ATOM 0 HA ASN A 62 17.378 1.934 2.250 1.00 0.00 H new ATOM 0 HB2 ASN A 62 16.216 3.139 -0.242 1.00 0.00 H new ATOM 0 HB3 ASN A 62 15.537 3.659 1.288 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.870 5.398 0.004 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.669 4.553 -0.979 1.00 0.00 H new ATOM 932 N ARG A 63 15.465 0.537 3.049 1.00 0.00 N ATOM 933 CA ARG A 63 14.291 -0.091 3.644 1.00 0.00 C ATOM 934 C ARG A 63 13.416 0.946 4.344 1.00 0.00 C ATOM 935 O ARG A 63 12.233 0.710 4.591 1.00 0.00 O ATOM 936 CB ARG A 63 14.714 -1.172 4.640 1.00 0.00 C ATOM 937 CG ARG A 63 15.473 -2.324 4.003 1.00 0.00 C ATOM 938 CD ARG A 63 16.092 -3.232 5.053 1.00 0.00 C ATOM 939 NE ARG A 63 15.098 -4.093 5.688 1.00 0.00 N ATOM 940 CZ ARG A 63 14.682 -5.243 5.169 1.00 0.00 C ATOM 941 NH1 ARG A 63 15.173 -5.668 4.013 1.00 0.00 N ATOM 942 NH2 ARG A 63 13.774 -5.970 5.807 1.00 0.00 N ATOM 0 H ARG A 63 16.332 0.386 3.566 1.00 0.00 H new ATOM 0 HA ARG A 63 13.711 -0.551 2.844 1.00 0.00 H new ATOM 0 HB2 ARG A 63 15.338 -0.720 5.411 1.00 0.00 H new ATOM 0 HB3 ARG A 63 13.826 -1.564 5.137 1.00 0.00 H new ATOM 0 HG2 ARG A 63 14.797 -2.902 3.373 1.00 0.00 H new ATOM 0 HG3 ARG A 63 16.255 -1.931 3.354 1.00 0.00 H new ATOM 0 HD2 ARG A 63 16.863 -3.848 4.590 1.00 0.00 H new ATOM 0 HD3 ARG A 63 16.584 -2.625 5.813 1.00 0.00 H new ATOM 0 HE ARG A 63 14.701 -3.795 6.579 1.00 0.00 H new ATOM 0 HH11 ARG A 63 15.872 -5.112 3.520 1.00 0.00 H new ATOM 0 HH12 ARG A 63 14.852 -6.551 3.616 1.00 0.00 H new ATOM 0 HH21 ARG A 63 13.395 -5.646 6.697 1.00 0.00 H new ATOM 0 HH22 ARG A 63 13.455 -6.853 5.408 1.00 0.00 H new ATOM 956 N ARG A 64 14.006 2.094 4.661 1.00 0.00 N ATOM 957 CA ARG A 64 13.282 3.165 5.333 1.00 0.00 C ATOM 958 C ARG A 64 12.751 4.180 4.323 1.00 0.00 C ATOM 959 O ARG A 64 11.559 4.202 4.021 1.00 0.00 O ATOM 960 CB ARG A 64 14.188 3.865 6.347 1.00 0.00 C ATOM 961 CG ARG A 64 15.668 3.756 6.018 1.00 0.00 C ATOM 962 CD ARG A 64 16.251 2.438 6.503 1.00 0.00 C ATOM 963 NE ARG A 64 17.621 2.240 6.039 1.00 0.00 N ATOM 964 CZ ARG A 64 18.301 1.113 6.213 1.00 0.00 C ATOM 965 NH1 ARG A 64 17.740 0.086 6.837 1.00 0.00 N ATOM 966 NH2 ARG A 64 19.544 1.010 5.761 1.00 0.00 N ATOM 0 H ARG A 64 14.984 2.306 4.463 1.00 0.00 H new ATOM 0 HA ARG A 64 12.435 2.723 5.858 1.00 0.00 H new ATOM 0 HB2 ARG A 64 13.913 4.918 6.401 1.00 0.00 H new ATOM 0 HB3 ARG A 64 14.012 3.439 7.334 1.00 0.00 H new ATOM 0 HG2 ARG A 64 15.810 3.843 4.941 1.00 0.00 H new ATOM 0 HG3 ARG A 64 16.206 4.585 6.478 1.00 0.00 H new ATOM 0 HD2 ARG A 64 16.230 2.412 7.592 1.00 0.00 H new ATOM 0 HD3 ARG A 64 15.628 1.615 6.153 1.00 0.00 H new ATOM 0 HE ARG A 64 18.081 3.010 5.554 1.00 0.00 H new ATOM 0 HH11 ARG A 64 16.784 0.161 7.185 1.00 0.00 H new ATOM 0 HH12 ARG A 64 18.265 -0.779 6.969 1.00 0.00 H new ATOM 0 HH21 ARG A 64 19.978 1.797 5.279 1.00 0.00 H new ATOM 0 HH22 ARG A 64 20.065 0.144 5.895 1.00 0.00 H new ATOM 980 N GLN A 65 13.646 5.016 3.807 1.00 0.00 N ATOM 981 CA GLN A 65 13.267 6.033 2.833 1.00 0.00 C ATOM 982 C GLN A 65 12.136 5.536 1.939 1.00 0.00 C ATOM 983 O GLN A 65 11.168 6.253 1.689 1.00 0.00 O ATOM 984 CB GLN A 65 14.473 6.426 1.979 1.00 0.00 C ATOM 985 CG GLN A 65 14.324 7.778 1.300 1.00 0.00 C ATOM 986 CD GLN A 65 15.652 8.478 1.094 1.00 0.00 C ATOM 987 OE1 GLN A 65 16.204 9.071 2.021 1.00 0.00 O ATOM 988 NE2 GLN A 65 16.175 8.412 -0.125 1.00 0.00 N ATOM 0 H GLN A 65 14.637 5.009 4.047 1.00 0.00 H new ATOM 0 HA GLN A 65 12.916 6.909 3.378 1.00 0.00 H new ATOM 0 HB2 GLN A 65 15.363 6.441 2.608 1.00 0.00 H new ATOM 0 HB3 GLN A 65 14.633 5.662 1.218 1.00 0.00 H new ATOM 0 HG2 GLN A 65 13.835 7.644 0.335 1.00 0.00 H new ATOM 0 HG3 GLN A 65 13.673 8.412 1.901 1.00 0.00 H new ATOM 0 HE21 GLN A 65 15.684 7.910 -0.864 1.00 0.00 H new ATOM 0 HE22 GLN A 65 17.068 8.864 -0.322 1.00 0.00 H new ATOM 997 N ASN A 66 12.265 4.303 1.460 1.00 0.00 N ATOM 998 CA ASN A 66 11.254 3.710 0.592 1.00 0.00 C ATOM 999 C ASN A 66 9.864 3.846 1.205 1.00 0.00 C ATOM 1000 O ASN A 66 8.925 4.297 0.548 1.00 0.00 O ATOM 1001 CB ASN A 66 11.570 2.234 0.340 1.00 0.00 C ATOM 1002 CG ASN A 66 12.615 2.043 -0.742 1.00 0.00 C ATOM 1003 OD1 ASN A 66 12.890 2.954 -1.523 1.00 0.00 O ATOM 1004 ND2 ASN A 66 13.203 0.854 -0.793 1.00 0.00 N ATOM 0 H ASN A 66 13.060 3.695 1.658 1.00 0.00 H new ATOM 0 HA ASN A 66 11.267 4.245 -0.358 1.00 0.00 H new ATOM 0 HB2 ASN A 66 11.921 1.777 1.265 1.00 0.00 H new ATOM 0 HB3 ASN A 66 10.656 1.713 0.055 1.00 0.00 H new ATOM 0 HD21 ASN A 66 13.914 0.667 -1.500 1.00 0.00 H new ATOM 0 HD22 ASN A 66 12.944 0.128 -0.125 1.00 0.00 H new ATOM 1011 N PHE A 67 9.739 3.455 2.469 1.00 0.00 N ATOM 1012 CA PHE A 67 8.464 3.533 3.171 1.00 0.00 C ATOM 1013 C PHE A 67 8.080 4.985 3.443 1.00 0.00 C ATOM 1014 O PHE A 67 6.976 5.417 3.115 1.00 0.00 O ATOM 1015 CB PHE A 67 8.534 2.757 4.488 1.00 0.00 C ATOM 1016 CG PHE A 67 8.270 1.287 4.332 1.00 0.00 C ATOM 1017 CD1 PHE A 67 9.269 0.433 3.892 1.00 0.00 C ATOM 1018 CD2 PHE A 67 7.024 0.758 4.627 1.00 0.00 C ATOM 1019 CE1 PHE A 67 9.028 -0.920 3.747 1.00 0.00 C ATOM 1020 CE2 PHE A 67 6.778 -0.595 4.485 1.00 0.00 C ATOM 1021 CZ PHE A 67 7.782 -1.435 4.045 1.00 0.00 C ATOM 0 H PHE A 67 10.506 3.081 3.028 1.00 0.00 H new ATOM 0 HA PHE A 67 7.700 3.087 2.534 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.520 2.896 4.930 1.00 0.00 H new ATOM 0 HB3 PHE A 67 7.810 3.176 5.186 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.247 0.829 3.660 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.235 1.410 4.972 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.814 -1.575 3.401 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.802 -0.995 4.718 1.00 0.00 H new ATOM 0 HZ PHE A 67 7.593 -2.493 3.934 1.00 0.00 H new ATOM 1031 N GLU A 68 9.001 5.731 4.046 1.00 0.00 N ATOM 1032 CA GLU A 68 8.759 7.133 4.363 1.00 0.00 C ATOM 1033 C GLU A 68 8.191 7.874 3.156 1.00 0.00 C ATOM 1034 O GLU A 68 7.130 8.494 3.237 1.00 0.00 O ATOM 1035 CB GLU A 68 10.054 7.805 4.824 1.00 0.00 C ATOM 1036 CG GLU A 68 10.706 7.119 6.013 1.00 0.00 C ATOM 1037 CD GLU A 68 9.993 7.411 7.319 1.00 0.00 C ATOM 1038 OE1 GLU A 68 8.748 7.319 7.348 1.00 0.00 O ATOM 1039 OE2 GLU A 68 10.680 7.733 8.311 1.00 0.00 O ATOM 0 H GLU A 68 9.920 5.388 4.324 1.00 0.00 H new ATOM 0 HA GLU A 68 8.028 7.175 5.170 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.760 7.823 3.994 1.00 0.00 H new ATOM 0 HB3 GLU A 68 9.842 8.842 5.085 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.720 6.042 5.844 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.744 7.443 6.090 1.00 0.00 H new ATOM 1046 N VAL A 69 8.904 7.805 2.036 1.00 0.00 N ATOM 1047 CA VAL A 69 8.472 8.467 0.812 1.00 0.00 C ATOM 1048 C VAL A 69 7.036 8.094 0.463 1.00 0.00 C ATOM 1049 O VAL A 69 6.192 8.964 0.250 1.00 0.00 O ATOM 1050 CB VAL A 69 9.387 8.108 -0.374 1.00 0.00 C ATOM 1051 CG1 VAL A 69 8.807 8.640 -1.676 1.00 0.00 C ATOM 1052 CG2 VAL A 69 10.791 8.648 -0.146 1.00 0.00 C ATOM 0 H VAL A 69 9.784 7.297 1.952 1.00 0.00 H new ATOM 0 HA VAL A 69 8.531 9.540 0.995 1.00 0.00 H new ATOM 0 HB VAL A 69 9.448 7.022 -0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.467 8.377 -2.503 1.00 0.00 H new ATOM 0 HG12 VAL A 69 7.824 8.200 -1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.714 9.724 -1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.424 8.385 -0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 69 10.752 9.733 -0.045 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.205 8.214 0.764 1.00 0.00 H new ATOM 1062 N ALA A 70 6.765 6.795 0.406 1.00 0.00 N ATOM 1063 CA ALA A 70 5.430 6.306 0.086 1.00 0.00 C ATOM 1064 C ALA A 70 4.380 6.939 0.993 1.00 0.00 C ATOM 1065 O ALA A 70 3.298 7.313 0.540 1.00 0.00 O ATOM 1066 CB ALA A 70 5.382 4.789 0.199 1.00 0.00 C ATOM 0 H ALA A 70 7.453 6.062 0.577 1.00 0.00 H new ATOM 0 HA ALA A 70 5.203 6.591 -0.941 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.379 4.438 -0.043 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.098 4.350 -0.496 1.00 0.00 H new ATOM 0 HB3 ALA A 70 5.635 4.492 1.217 1.00 0.00 H new ATOM 1072 N PHE A 71 4.707 7.056 2.276 1.00 0.00 N ATOM 1073 CA PHE A 71 3.792 7.643 3.247 1.00 0.00 C ATOM 1074 C PHE A 71 3.650 9.146 3.023 1.00 0.00 C ATOM 1075 O PHE A 71 2.582 9.631 2.651 1.00 0.00 O ATOM 1076 CB PHE A 71 4.283 7.373 4.671 1.00 0.00 C ATOM 1077 CG PHE A 71 4.255 5.920 5.049 1.00 0.00 C ATOM 1078 CD1 PHE A 71 3.109 5.164 4.863 1.00 0.00 C ATOM 1079 CD2 PHE A 71 5.375 5.310 5.591 1.00 0.00 C ATOM 1080 CE1 PHE A 71 3.080 3.826 5.210 1.00 0.00 C ATOM 1081 CE2 PHE A 71 5.352 3.972 5.939 1.00 0.00 C ATOM 1082 CZ PHE A 71 4.203 3.230 5.750 1.00 0.00 C ATOM 0 H PHE A 71 5.599 6.752 2.667 1.00 0.00 H new ATOM 0 HA PHE A 71 2.815 7.180 3.113 1.00 0.00 H new ATOM 0 HB2 PHE A 71 5.302 7.747 4.773 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.666 7.935 5.372 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.228 5.625 4.442 1.00 0.00 H new ATOM 0 HD2 PHE A 71 6.276 5.886 5.743 1.00 0.00 H new ATOM 0 HE1 PHE A 71 2.181 3.248 5.059 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.232 3.508 6.358 1.00 0.00 H new ATOM 0 HZ PHE A 71 4.182 2.186 6.024 1.00 0.00 H new ATOM 1092 N SER A 72 4.736 9.877 3.251 1.00 0.00 N ATOM 1093 CA SER A 72 4.733 11.325 3.078 1.00 0.00 C ATOM 1094 C SER A 72 4.126 11.710 1.733 1.00 0.00 C ATOM 1095 O SER A 72 3.124 12.423 1.672 1.00 0.00 O ATOM 1096 CB SER A 72 6.156 11.876 3.185 1.00 0.00 C ATOM 1097 OG SER A 72 6.578 11.942 4.536 1.00 0.00 O ATOM 0 H SER A 72 5.629 9.491 3.556 1.00 0.00 H new ATOM 0 HA SER A 72 4.123 11.759 3.870 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.838 11.242 2.618 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.199 12.869 2.739 1.00 0.00 H new ATOM 0 HG SER A 72 7.491 12.296 4.577 1.00 0.00 H new ATOM 1103 N SER A 73 4.741 11.233 0.655 1.00 0.00 N ATOM 1104 CA SER A 73 4.265 11.530 -0.691 1.00 0.00 C ATOM 1105 C SER A 73 2.742 11.627 -0.719 1.00 0.00 C ATOM 1106 O SER A 73 2.179 12.534 -1.331 1.00 0.00 O ATOM 1107 CB SER A 73 4.737 10.454 -1.671 1.00 0.00 C ATOM 1108 OG SER A 73 4.023 9.244 -1.482 1.00 0.00 O ATOM 0 H SER A 73 5.570 10.639 0.688 1.00 0.00 H new ATOM 0 HA SER A 73 4.679 12.492 -0.992 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.601 10.804 -2.694 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.804 10.276 -1.534 1.00 0.00 H new ATOM 0 HG SER A 73 4.558 8.630 -0.936 1.00 0.00 H new ATOM 1114 N ALA A 74 2.083 10.685 -0.053 1.00 0.00 N ATOM 1115 CA ALA A 74 0.627 10.664 0.000 1.00 0.00 C ATOM 1116 C ALA A 74 0.092 11.806 0.859 1.00 0.00 C ATOM 1117 O ALA A 74 -0.800 12.543 0.441 1.00 0.00 O ATOM 1118 CB ALA A 74 0.137 9.326 0.534 1.00 0.00 C ATOM 0 H ALA A 74 2.535 9.926 0.457 1.00 0.00 H new ATOM 0 HA ALA A 74 0.250 10.799 -1.014 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.952 9.325 0.568 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.480 8.525 -0.121 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.532 9.168 1.538 1.00 0.00 H new ATOM 1124 N GLU A 75 0.644 11.945 2.060 1.00 0.00 N ATOM 1125 CA GLU A 75 0.220 12.996 2.977 1.00 0.00 C ATOM 1126 C GLU A 75 0.171 14.348 2.270 1.00 0.00 C ATOM 1127 O GLU A 75 -0.572 15.245 2.669 1.00 0.00 O ATOM 1128 CB GLU A 75 1.168 13.071 4.176 1.00 0.00 C ATOM 1129 CG GLU A 75 1.038 14.355 4.977 1.00 0.00 C ATOM 1130 CD GLU A 75 1.932 15.462 4.454 1.00 0.00 C ATOM 1131 OE1 GLU A 75 3.168 15.284 4.472 1.00 0.00 O ATOM 1132 OE2 GLU A 75 1.396 16.506 4.027 1.00 0.00 O ATOM 0 H GLU A 75 1.385 11.344 2.420 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.782 12.752 3.329 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.977 12.222 4.833 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.195 12.976 3.823 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.001 14.689 4.954 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.286 14.155 6.019 1.00 0.00 H new ATOM 1139 N THR A 76 0.969 14.487 1.215 1.00 0.00 N ATOM 1140 CA THR A 76 1.019 15.728 0.453 1.00 0.00 C ATOM 1141 C THR A 76 -0.384 16.237 0.139 1.00 0.00 C ATOM 1142 O THR A 76 -0.842 17.221 0.720 1.00 0.00 O ATOM 1143 CB THR A 76 1.793 15.546 -0.866 1.00 0.00 C ATOM 1144 OG1 THR A 76 3.090 14.999 -0.602 1.00 0.00 O ATOM 1145 CG2 THR A 76 1.936 16.872 -1.597 1.00 0.00 C ATOM 0 H THR A 76 1.589 13.755 0.869 1.00 0.00 H new ATOM 0 HA THR A 76 1.538 16.459 1.073 1.00 0.00 H new ATOM 0 HB THR A 76 1.231 14.859 -1.499 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.105 14.054 -0.861 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.486 16.718 -2.525 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.947 17.271 -1.823 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.477 17.578 -0.967 1.00 0.00 H new ATOM 1153 N HIS A 77 -1.062 15.560 -0.782 1.00 0.00 N ATOM 1154 CA HIS A 77 -2.414 15.944 -1.172 1.00 0.00 C ATOM 1155 C HIS A 77 -3.433 14.921 -0.679 1.00 0.00 C ATOM 1156 O HIS A 77 -4.624 15.214 -0.581 1.00 0.00 O ATOM 1157 CB HIS A 77 -2.509 16.085 -2.691 1.00 0.00 C ATOM 1158 CG HIS A 77 -1.571 15.185 -3.436 1.00 0.00 C ATOM 1159 ND1 HIS A 77 -0.778 15.621 -4.477 1.00 0.00 N ATOM 1160 CD2 HIS A 77 -1.301 13.868 -3.284 1.00 0.00 C ATOM 1161 CE1 HIS A 77 -0.062 14.610 -4.934 1.00 0.00 C ATOM 1162 NE2 HIS A 77 -0.360 13.534 -4.227 1.00 0.00 N ATOM 0 H HIS A 77 -0.698 14.743 -1.272 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.639 16.906 -0.711 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -3.531 15.871 -3.004 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -2.302 17.119 -2.965 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.743 13.203 -2.557 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.647 14.655 -5.748 1.00 0.00 H new ATOM 0 HE2 HIS A 77 0.043 12.607 -4.360 1.00 0.00 H new ATOM 1171 N ALA A 78 -2.956 13.719 -0.371 1.00 0.00 N ATOM 1172 CA ALA A 78 -3.824 12.653 0.112 1.00 0.00 C ATOM 1173 C ALA A 78 -4.055 12.772 1.615 1.00 0.00 C ATOM 1174 O ALA A 78 -5.001 12.198 2.154 1.00 0.00 O ATOM 1175 CB ALA A 78 -3.230 11.294 -0.227 1.00 0.00 C ATOM 0 H ALA A 78 -1.973 13.460 -0.448 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.789 12.750 -0.386 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.889 10.507 0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.123 11.203 -1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.252 11.197 0.244 1.00 0.00 H new ATOM 1181 N ASP A 79 -3.185 13.519 2.285 1.00 0.00 N ATOM 1182 CA ASP A 79 -3.295 13.714 3.726 1.00 0.00 C ATOM 1183 C ASP A 79 -3.641 12.404 4.426 1.00 0.00 C ATOM 1184 O ASP A 79 -4.570 12.346 5.233 1.00 0.00 O ATOM 1185 CB ASP A 79 -4.355 14.770 4.040 1.00 0.00 C ATOM 1186 CG ASP A 79 -4.053 15.533 5.315 1.00 0.00 C ATOM 1187 OD1 ASP A 79 -3.154 16.399 5.290 1.00 0.00 O ATOM 1188 OD2 ASP A 79 -4.715 15.263 6.339 1.00 0.00 O ATOM 0 H ASP A 79 -2.396 14.000 1.853 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.330 14.059 4.096 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.423 15.471 3.208 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.328 14.288 4.131 1.00 0.00 H new ATOM 1193 N CYS A 80 -2.889 11.354 4.112 1.00 0.00 N ATOM 1194 CA CYS A 80 -3.118 10.044 4.710 1.00 0.00 C ATOM 1195 C CYS A 80 -2.458 9.949 6.082 1.00 0.00 C ATOM 1196 O CYS A 80 -1.321 10.375 6.282 1.00 0.00 O ATOM 1197 CB CYS A 80 -2.580 8.942 3.795 1.00 0.00 C ATOM 1198 SG CYS A 80 -2.752 7.273 4.469 1.00 0.00 S ATOM 0 H CYS A 80 -2.116 11.385 3.447 1.00 0.00 H new ATOM 0 HA CYS A 80 -4.193 9.912 4.834 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.101 8.992 2.839 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.526 9.134 3.594 1.00 0.00 H new ATOM 0 HG CYS A 80 -1.638 6.623 4.308 1.00 0.00 H new ATOM 1204 N PRO A 81 -3.189 9.380 7.052 1.00 0.00 N ATOM 1205 CA PRO A 81 -2.696 9.218 8.423 1.00 0.00 C ATOM 1206 C PRO A 81 -1.581 8.181 8.519 1.00 0.00 C ATOM 1207 O PRO A 81 -1.769 7.020 8.158 1.00 0.00 O ATOM 1208 CB PRO A 81 -3.933 8.745 9.191 1.00 0.00 C ATOM 1209 CG PRO A 81 -4.792 8.094 8.163 1.00 0.00 C ATOM 1210 CD PRO A 81 -4.553 8.850 6.885 1.00 0.00 C ATOM 0 HA PRO A 81 -2.262 10.139 8.812 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.664 8.046 9.982 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.448 9.581 9.665 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.533 7.041 8.048 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -5.843 8.135 8.450 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.627 8.200 6.013 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.281 9.650 6.749 1.00 0.00 H new ATOM 1218 N GLN A 82 -0.422 8.610 9.008 1.00 0.00 N ATOM 1219 CA GLN A 82 0.723 7.718 9.150 1.00 0.00 C ATOM 1220 C GLN A 82 0.509 6.738 10.299 1.00 0.00 C ATOM 1221 O GLN A 82 0.589 7.111 11.470 1.00 0.00 O ATOM 1222 CB GLN A 82 2.000 8.526 9.385 1.00 0.00 C ATOM 1223 CG GLN A 82 2.581 9.128 8.115 1.00 0.00 C ATOM 1224 CD GLN A 82 3.995 9.640 8.306 1.00 0.00 C ATOM 1225 OE1 GLN A 82 4.763 9.096 9.099 1.00 0.00 O ATOM 1226 NE2 GLN A 82 4.346 10.694 7.577 1.00 0.00 N ATOM 0 H GLN A 82 -0.251 9.568 9.312 1.00 0.00 H new ATOM 0 HA GLN A 82 0.826 7.150 8.225 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.788 9.327 10.093 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.748 7.882 9.847 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.574 8.377 7.325 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.944 9.947 7.781 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.677 11.113 6.932 1.00 0.00 H new ATOM 0 HE22 GLN A 82 5.285 11.084 7.663 1.00 0.00 H new ATOM 1235 N LEU A 83 0.237 5.484 9.958 1.00 0.00 N ATOM 1236 CA LEU A 83 0.011 4.449 10.961 1.00 0.00 C ATOM 1237 C LEU A 83 1.288 3.656 11.222 1.00 0.00 C ATOM 1238 O LEU A 83 1.795 3.627 12.345 1.00 0.00 O ATOM 1239 CB LEU A 83 -1.104 3.506 10.507 1.00 0.00 C ATOM 1240 CG LEU A 83 -2.412 4.171 10.076 1.00 0.00 C ATOM 1241 CD1 LEU A 83 -3.355 3.147 9.463 1.00 0.00 C ATOM 1242 CD2 LEU A 83 -3.072 4.866 11.257 1.00 0.00 C ATOM 0 H LEU A 83 0.167 5.159 8.994 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.289 4.936 11.889 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.731 2.910 9.674 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.322 2.815 11.321 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.183 4.922 9.320 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.280 3.639 9.162 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.884 2.695 8.590 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.578 2.372 10.197 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.001 5.333 10.931 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.287 4.134 12.036 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.401 5.629 11.652 1.00 0.00 H new ATOM 1254 N LEU A 84 1.805 3.016 10.179 1.00 0.00 N ATOM 1255 CA LEU A 84 3.025 2.225 10.295 1.00 0.00 C ATOM 1256 C LEU A 84 4.200 3.096 10.725 1.00 0.00 C ATOM 1257 O LEU A 84 4.184 4.313 10.541 1.00 0.00 O ATOM 1258 CB LEU A 84 3.341 1.542 8.964 1.00 0.00 C ATOM 1259 CG LEU A 84 2.192 0.769 8.315 1.00 0.00 C ATOM 1260 CD1 LEU A 84 2.482 0.516 6.844 1.00 0.00 C ATOM 1261 CD2 LEU A 84 1.953 -0.544 9.047 1.00 0.00 C ATOM 0 H LEU A 84 1.398 3.029 9.244 1.00 0.00 H new ATOM 0 HA LEU A 84 2.864 1.463 11.058 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.683 2.302 8.261 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.172 0.854 9.120 1.00 0.00 H new ATOM 0 HG LEU A 84 1.287 1.372 8.387 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.653 -0.035 6.399 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.603 1.468 6.328 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.398 -0.067 6.749 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.132 -1.081 8.572 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.856 -1.153 9.007 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.699 -0.340 10.087 1.00 0.00 H new ATOM 1273 N ASP A 85 5.219 2.464 11.298 1.00 0.00 N ATOM 1274 CA ASP A 85 6.406 3.181 11.751 1.00 0.00 C ATOM 1275 C ASP A 85 7.658 2.653 11.058 1.00 0.00 C ATOM 1276 O ASP A 85 8.221 1.634 11.460 1.00 0.00 O ATOM 1277 CB ASP A 85 6.555 3.055 13.268 1.00 0.00 C ATOM 1278 CG ASP A 85 5.631 3.991 14.021 1.00 0.00 C ATOM 1279 OD1 ASP A 85 5.351 5.092 13.503 1.00 0.00 O ATOM 1280 OD2 ASP A 85 5.188 3.623 15.129 1.00 0.00 O ATOM 0 H ASP A 85 5.247 1.457 11.460 1.00 0.00 H new ATOM 0 HA ASP A 85 6.286 4.233 11.491 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.348 2.027 13.566 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.587 3.266 13.547 1.00 0.00 H new ATOM 1285 N THR A 86 8.089 3.353 10.013 1.00 0.00 N ATOM 1286 CA THR A 86 9.273 2.954 9.262 1.00 0.00 C ATOM 1287 C THR A 86 10.421 2.591 10.198 1.00 0.00 C ATOM 1288 O THR A 86 11.077 1.566 10.019 1.00 0.00 O ATOM 1289 CB THR A 86 9.737 4.072 8.309 1.00 0.00 C ATOM 1290 OG1 THR A 86 8.666 4.444 7.434 1.00 0.00 O ATOM 1291 CG2 THR A 86 10.935 3.620 7.489 1.00 0.00 C ATOM 0 H THR A 86 7.636 4.199 9.668 1.00 0.00 H new ATOM 0 HA THR A 86 8.995 2.079 8.675 1.00 0.00 H new ATOM 0 HB THR A 86 10.032 4.933 8.909 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.538 5.415 7.468 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.245 4.426 6.823 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.758 3.364 8.157 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.662 2.746 6.898 1.00 0.00 H new ATOM 1299 N GLU A 87 10.656 3.438 11.195 1.00 0.00 N ATOM 1300 CA GLU A 87 11.726 3.205 12.158 1.00 0.00 C ATOM 1301 C GLU A 87 11.617 1.809 12.764 1.00 0.00 C ATOM 1302 O GLU A 87 12.626 1.173 13.070 1.00 0.00 O ATOM 1303 CB GLU A 87 11.683 4.259 13.266 1.00 0.00 C ATOM 1304 CG GLU A 87 10.342 4.342 13.975 1.00 0.00 C ATOM 1305 CD GLU A 87 10.350 5.330 15.126 1.00 0.00 C ATOM 1306 OE1 GLU A 87 11.361 5.378 15.858 1.00 0.00 O ATOM 1307 OE2 GLU A 87 9.348 6.055 15.293 1.00 0.00 O ATOM 0 H GLU A 87 10.121 4.291 11.357 1.00 0.00 H new ATOM 0 HA GLU A 87 12.677 3.281 11.632 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.459 4.036 13.999 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.919 5.233 12.838 1.00 0.00 H new ATOM 0 HG2 GLU A 87 9.574 4.631 13.258 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.072 3.355 14.350 1.00 0.00 H new ATOM 1314 N ASP A 88 10.387 1.339 12.935 1.00 0.00 N ATOM 1315 CA ASP A 88 10.145 0.018 13.504 1.00 0.00 C ATOM 1316 C ASP A 88 10.048 -1.037 12.406 1.00 0.00 C ATOM 1317 O ASP A 88 10.341 -2.211 12.633 1.00 0.00 O ATOM 1318 CB ASP A 88 8.861 0.025 14.336 1.00 0.00 C ATOM 1319 CG ASP A 88 8.900 -0.983 15.467 1.00 0.00 C ATOM 1320 OD1 ASP A 88 9.690 -1.946 15.378 1.00 0.00 O ATOM 1321 OD2 ASP A 88 8.141 -0.808 16.443 1.00 0.00 O ATOM 0 H ASP A 88 9.541 1.853 12.688 1.00 0.00 H new ATOM 0 HA ASP A 88 10.986 -0.232 14.150 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.703 1.022 14.747 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.011 -0.192 13.689 1.00 0.00 H new ATOM 1326 N MET A 89 9.636 -0.611 11.217 1.00 0.00 N ATOM 1327 CA MET A 89 9.501 -1.519 10.084 1.00 0.00 C ATOM 1328 C MET A 89 10.866 -2.024 9.626 1.00 0.00 C ATOM 1329 O MET A 89 11.020 -3.193 9.273 1.00 0.00 O ATOM 1330 CB MET A 89 8.787 -0.821 8.925 1.00 0.00 C ATOM 1331 CG MET A 89 7.336 -0.480 9.222 1.00 0.00 C ATOM 1332 SD MET A 89 6.434 0.054 7.755 1.00 0.00 S ATOM 1333 CE MET A 89 5.260 -1.286 7.574 1.00 0.00 C ATOM 0 H MET A 89 9.390 0.358 11.013 1.00 0.00 H new ATOM 0 HA MET A 89 8.906 -2.374 10.405 1.00 0.00 H new ATOM 0 HB2 MET A 89 9.324 0.095 8.677 1.00 0.00 H new ATOM 0 HB3 MET A 89 8.828 -1.462 8.045 1.00 0.00 H new ATOM 0 HG2 MET A 89 6.842 -1.352 9.650 1.00 0.00 H new ATOM 0 HG3 MET A 89 7.299 0.308 9.974 1.00 0.00 H new ATOM 0 HE1 MET A 89 5.602 -1.967 6.795 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.176 -1.826 8.517 1.00 0.00 H new ATOM 0 HE3 MET A 89 4.286 -0.882 7.300 1.00 0.00 H new ATOM 1343 N VAL A 90 11.854 -1.134 9.635 1.00 0.00 N ATOM 1344 CA VAL A 90 13.206 -1.490 9.221 1.00 0.00 C ATOM 1345 C VAL A 90 13.765 -2.618 10.081 1.00 0.00 C ATOM 1346 O VAL A 90 14.000 -3.724 9.595 1.00 0.00 O ATOM 1347 CB VAL A 90 14.154 -0.279 9.303 1.00 0.00 C ATOM 1348 CG1 VAL A 90 15.605 -0.735 9.290 1.00 0.00 C ATOM 1349 CG2 VAL A 90 13.881 0.689 8.161 1.00 0.00 C ATOM 0 H VAL A 90 11.743 -0.162 9.924 1.00 0.00 H new ATOM 0 HA VAL A 90 13.143 -1.824 8.185 1.00 0.00 H new ATOM 0 HB VAL A 90 13.970 0.242 10.243 1.00 0.00 H new ATOM 0 HG11 VAL A 90 16.260 0.134 9.349 1.00 0.00 H new ATOM 0 HG12 VAL A 90 15.789 -1.387 10.144 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.807 -1.280 8.368 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.560 1.539 8.234 1.00 0.00 H new ATOM 0 HG22 VAL A 90 14.036 0.182 7.209 1.00 0.00 H new ATOM 0 HG23 VAL A 90 12.851 1.041 8.221 1.00 0.00 H new ATOM 1359 N ARG A 91 13.975 -2.330 11.362 1.00 0.00 N ATOM 1360 CA ARG A 91 14.507 -3.321 12.290 1.00 0.00 C ATOM 1361 C ARG A 91 13.650 -4.583 12.289 1.00 0.00 C ATOM 1362 O ARG A 91 14.169 -5.699 12.248 1.00 0.00 O ATOM 1363 CB ARG A 91 14.577 -2.740 13.703 1.00 0.00 C ATOM 1364 CG ARG A 91 13.288 -2.071 14.152 1.00 0.00 C ATOM 1365 CD ARG A 91 13.403 -1.535 15.570 1.00 0.00 C ATOM 1366 NE ARG A 91 13.427 -2.608 16.560 1.00 0.00 N ATOM 1367 CZ ARG A 91 13.137 -2.429 17.844 1.00 0.00 C ATOM 1368 NH1 ARG A 91 12.803 -1.227 18.291 1.00 0.00 N ATOM 1369 NH2 ARG A 91 13.182 -3.455 18.685 1.00 0.00 N ATOM 0 H ARG A 91 13.785 -1.419 11.780 1.00 0.00 H new ATOM 0 HA ARG A 91 15.512 -3.586 11.963 1.00 0.00 H new ATOM 0 HB2 ARG A 91 14.825 -3.538 14.403 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.388 -2.013 13.748 1.00 0.00 H new ATOM 0 HG2 ARG A 91 13.045 -1.255 13.472 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.467 -2.786 14.098 1.00 0.00 H new ATOM 0 HD2 ARG A 91 14.311 -0.939 15.660 1.00 0.00 H new ATOM 0 HD3 ARG A 91 12.564 -0.871 15.776 1.00 0.00 H new ATOM 0 HE ARG A 91 13.680 -3.546 16.249 1.00 0.00 H new ATOM 0 HH11 ARG A 91 12.768 -0.436 17.649 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.581 -1.093 19.278 1.00 0.00 H new ATOM 0 HH21 ARG A 91 13.439 -4.382 18.346 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.959 -3.317 19.671 1.00 0.00 H new ATOM 1383 N LEU A 92 12.335 -4.398 12.334 1.00 0.00 N ATOM 1384 CA LEU A 92 11.404 -5.522 12.339 1.00 0.00 C ATOM 1385 C LEU A 92 11.750 -6.520 11.239 1.00 0.00 C ATOM 1386 O LEU A 92 12.089 -6.134 10.120 1.00 0.00 O ATOM 1387 CB LEU A 92 9.970 -5.022 12.158 1.00 0.00 C ATOM 1388 CG LEU A 92 9.252 -4.567 13.428 1.00 0.00 C ATOM 1389 CD1 LEU A 92 8.015 -3.753 13.080 1.00 0.00 C ATOM 1390 CD2 LEU A 92 8.878 -5.766 14.288 1.00 0.00 C ATOM 0 H LEU A 92 11.889 -3.481 12.368 1.00 0.00 H new ATOM 0 HA LEU A 92 11.487 -6.027 13.301 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.983 -4.190 11.454 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.384 -5.818 11.699 1.00 0.00 H new ATOM 0 HG LEU A 92 9.931 -3.933 13.998 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.517 -3.438 13.997 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.308 -2.874 12.505 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.333 -4.363 12.488 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.368 -5.423 15.188 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.217 -6.426 13.725 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.781 -6.309 14.567 1.00 0.00 H new ATOM 1402 N ARG A 93 11.660 -7.806 11.564 1.00 0.00 N ATOM 1403 CA ARG A 93 11.963 -8.860 10.603 1.00 0.00 C ATOM 1404 C ARG A 93 11.040 -8.772 9.391 1.00 0.00 C ATOM 1405 O ARG A 93 11.457 -9.030 8.263 1.00 0.00 O ATOM 1406 CB ARG A 93 11.828 -10.234 11.262 1.00 0.00 C ATOM 1407 CG ARG A 93 13.003 -10.600 12.154 1.00 0.00 C ATOM 1408 CD ARG A 93 12.781 -10.135 13.585 1.00 0.00 C ATOM 1409 NE ARG A 93 11.667 -10.832 14.221 1.00 0.00 N ATOM 1410 CZ ARG A 93 11.154 -10.482 15.395 1.00 0.00 C ATOM 1411 NH1 ARG A 93 11.652 -9.447 16.058 1.00 0.00 N ATOM 1412 NH2 ARG A 93 10.139 -11.166 15.908 1.00 0.00 N ATOM 0 H ARG A 93 11.380 -8.143 12.485 1.00 0.00 H new ATOM 0 HA ARG A 93 12.991 -8.726 10.266 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.913 -10.255 11.854 1.00 0.00 H new ATOM 0 HB3 ARG A 93 11.723 -10.991 10.485 1.00 0.00 H new ATOM 0 HG2 ARG A 93 13.150 -11.680 12.140 1.00 0.00 H new ATOM 0 HG3 ARG A 93 13.914 -10.149 11.761 1.00 0.00 H new ATOM 0 HD2 ARG A 93 13.689 -10.299 14.164 1.00 0.00 H new ATOM 0 HD3 ARG A 93 12.588 -9.062 13.592 1.00 0.00 H new ATOM 0 HE ARG A 93 11.260 -11.632 13.737 1.00 0.00 H new ATOM 0 HH11 ARG A 93 12.431 -8.918 15.666 1.00 0.00 H new ATOM 0 HH12 ARG A 93 11.256 -9.180 16.959 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.752 -11.962 15.401 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.746 -10.896 16.810 1.00 0.00 H new ATOM 1426 N GLU A 94 9.785 -8.406 9.634 1.00 0.00 N ATOM 1427 CA GLU A 94 8.804 -8.286 8.563 1.00 0.00 C ATOM 1428 C GLU A 94 7.524 -7.627 9.068 1.00 0.00 C ATOM 1429 O GLU A 94 7.086 -7.849 10.197 1.00 0.00 O ATOM 1430 CB GLU A 94 8.485 -9.663 7.976 1.00 0.00 C ATOM 1431 CG GLU A 94 7.664 -10.544 8.903 1.00 0.00 C ATOM 1432 CD GLU A 94 7.748 -12.013 8.538 1.00 0.00 C ATOM 1433 OE1 GLU A 94 8.776 -12.424 7.961 1.00 0.00 O ATOM 1434 OE2 GLU A 94 6.784 -12.752 8.829 1.00 0.00 O ATOM 0 H GLU A 94 9.425 -8.188 10.563 1.00 0.00 H new ATOM 0 HA GLU A 94 9.232 -7.657 7.783 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.944 -9.533 7.039 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.419 -10.172 7.737 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.010 -10.408 9.928 1.00 0.00 H new ATOM 0 HG3 GLU A 94 6.622 -10.225 8.873 1.00 0.00 H new ATOM 1441 N PRO A 95 6.909 -6.796 8.213 1.00 0.00 N ATOM 1442 CA PRO A 95 5.671 -6.088 8.551 1.00 0.00 C ATOM 1443 C PRO A 95 4.474 -7.028 8.651 1.00 0.00 C ATOM 1444 O PRO A 95 4.055 -7.623 7.658 1.00 0.00 O ATOM 1445 CB PRO A 95 5.490 -5.115 7.383 1.00 0.00 C ATOM 1446 CG PRO A 95 6.212 -5.750 6.245 1.00 0.00 C ATOM 1447 CD PRO A 95 7.375 -6.485 6.852 1.00 0.00 C ATOM 0 HA PRO A 95 5.732 -5.601 9.524 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.435 -4.968 7.150 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.904 -4.134 7.617 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.560 -6.433 5.701 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.554 -5.000 5.532 1.00 0.00 H new ATOM 0 HD2 PRO A 95 7.615 -7.389 6.293 1.00 0.00 H new ATOM 0 HD3 PRO A 95 8.275 -5.871 6.866 1.00 0.00 H new ATOM 1455 N ASP A 96 3.928 -7.156 9.855 1.00 0.00 N ATOM 1456 CA ASP A 96 2.778 -8.023 10.085 1.00 0.00 C ATOM 1457 C ASP A 96 1.599 -7.602 9.214 1.00 0.00 C ATOM 1458 O ASP A 96 1.223 -6.431 9.184 1.00 0.00 O ATOM 1459 CB ASP A 96 2.375 -7.991 11.560 1.00 0.00 C ATOM 1460 CG ASP A 96 3.574 -7.935 12.486 1.00 0.00 C ATOM 1461 OD1 ASP A 96 4.447 -8.823 12.383 1.00 0.00 O ATOM 1462 OD2 ASP A 96 3.640 -7.003 13.314 1.00 0.00 O ATOM 0 H ASP A 96 4.263 -6.670 10.687 1.00 0.00 H new ATOM 0 HA ASP A 96 3.061 -9.041 9.816 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.739 -7.125 11.741 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.782 -8.876 11.791 1.00 0.00 H new ATOM 1467 N TRP A 97 1.020 -8.566 8.506 1.00 0.00 N ATOM 1468 CA TRP A 97 -0.116 -8.295 7.633 1.00 0.00 C ATOM 1469 C TRP A 97 -1.167 -7.455 8.351 1.00 0.00 C ATOM 1470 O TRP A 97 -1.721 -6.515 7.781 1.00 0.00 O ATOM 1471 CB TRP A 97 -0.738 -9.606 7.148 1.00 0.00 C ATOM 1472 CG TRP A 97 -1.187 -10.499 8.266 1.00 0.00 C ATOM 1473 CD1 TRP A 97 -0.443 -11.448 8.906 1.00 0.00 C ATOM 1474 CD2 TRP A 97 -2.483 -10.526 8.873 1.00 0.00 C ATOM 1475 NE1 TRP A 97 -1.199 -12.064 9.874 1.00 0.00 N ATOM 1476 CE2 TRP A 97 -2.454 -11.516 9.874 1.00 0.00 C ATOM 1477 CE3 TRP A 97 -3.665 -9.809 8.669 1.00 0.00 C ATOM 1478 CZ2 TRP A 97 -3.561 -11.805 10.667 1.00 0.00 C ATOM 1479 CZ3 TRP A 97 -4.764 -10.098 9.456 1.00 0.00 C ATOM 1480 CH2 TRP A 97 -4.705 -11.088 10.446 1.00 0.00 C ATOM 0 H TRP A 97 1.319 -9.541 8.520 1.00 0.00 H new ATOM 0 HA TRP A 97 0.246 -7.732 6.772 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -1.591 -9.380 6.508 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.012 -10.140 6.535 1.00 0.00 H new ATOM 0 HD1 TRP A 97 0.588 -11.680 8.684 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -0.878 -12.809 10.492 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -3.719 -9.043 7.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -3.518 -12.568 11.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -5.683 -9.552 9.305 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -5.580 -11.289 11.046 1.00 0.00 H new ATOM 1491 N LYS A 98 -1.436 -7.799 9.606 1.00 0.00 N ATOM 1492 CA LYS A 98 -2.419 -7.076 10.403 1.00 0.00 C ATOM 1493 C LYS A 98 -2.184 -5.571 10.324 1.00 0.00 C ATOM 1494 O LYS A 98 -3.130 -4.789 10.229 1.00 0.00 O ATOM 1495 CB LYS A 98 -2.361 -7.536 11.862 1.00 0.00 C ATOM 1496 CG LYS A 98 -2.645 -9.017 12.044 1.00 0.00 C ATOM 1497 CD LYS A 98 -2.861 -9.368 13.507 1.00 0.00 C ATOM 1498 CE LYS A 98 -2.435 -10.797 13.806 1.00 0.00 C ATOM 1499 NZ LYS A 98 -2.906 -11.246 15.146 1.00 0.00 N ATOM 0 H LYS A 98 -0.987 -8.574 10.093 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.408 -7.293 9.999 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.374 -7.311 12.266 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.082 -6.962 12.444 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.529 -9.292 11.469 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.813 -9.599 11.648 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.295 -8.680 14.135 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.913 -9.240 13.761 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.832 -11.463 13.039 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.348 -10.870 13.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.596 -12.225 15.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.507 -10.626 15.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.944 -11.201 15.182 1.00 0.00 H new ATOM 1513 N CYS A 99 -0.917 -5.173 10.363 1.00 0.00 N ATOM 1514 CA CYS A 99 -0.557 -3.761 10.295 1.00 0.00 C ATOM 1515 C CYS A 99 -0.682 -3.236 8.868 1.00 0.00 C ATOM 1516 O CYS A 99 -1.498 -2.359 8.587 1.00 0.00 O ATOM 1517 CB CYS A 99 0.869 -3.551 10.806 1.00 0.00 C ATOM 1518 SG CYS A 99 1.025 -3.613 12.606 1.00 0.00 S ATOM 0 H CYS A 99 -0.122 -5.808 10.441 1.00 0.00 H new ATOM 0 HA CYS A 99 -1.247 -3.205 10.929 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.516 -4.312 10.370 1.00 0.00 H new ATOM 0 HB3 CYS A 99 1.231 -2.585 10.454 1.00 0.00 H new ATOM 0 HG CYS A 99 2.267 -3.427 12.941 1.00 0.00 H new ATOM 1524 N VAL A 100 0.136 -3.778 7.971 1.00 0.00 N ATOM 1525 CA VAL A 100 0.118 -3.365 6.573 1.00 0.00 C ATOM 1526 C VAL A 100 -1.311 -3.233 6.057 1.00 0.00 C ATOM 1527 O VAL A 100 -1.714 -2.172 5.580 1.00 0.00 O ATOM 1528 CB VAL A 100 0.884 -4.362 5.683 1.00 0.00 C ATOM 1529 CG1 VAL A 100 0.812 -3.939 4.223 1.00 0.00 C ATOM 1530 CG2 VAL A 100 2.329 -4.483 6.141 1.00 0.00 C ATOM 0 H VAL A 100 0.819 -4.504 8.188 1.00 0.00 H new ATOM 0 HA VAL A 100 0.610 -2.394 6.524 1.00 0.00 H new ATOM 0 HB VAL A 100 0.414 -5.341 5.776 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.359 -4.655 3.609 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.230 -3.909 3.904 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.256 -2.950 4.108 1.00 0.00 H new ATOM 0 HG21 VAL A 100 2.855 -5.191 5.501 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.813 -3.508 6.079 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.356 -4.836 7.172 1.00 0.00 H new ATOM 1540 N TYR A 101 -2.072 -4.317 6.155 1.00 0.00 N ATOM 1541 CA TYR A 101 -3.456 -4.324 5.697 1.00 0.00 C ATOM 1542 C TYR A 101 -4.181 -3.055 6.135 1.00 0.00 C ATOM 1543 O TYR A 101 -4.929 -2.455 5.363 1.00 0.00 O ATOM 1544 CB TYR A 101 -4.187 -5.555 6.235 1.00 0.00 C ATOM 1545 CG TYR A 101 -5.690 -5.397 6.273 1.00 0.00 C ATOM 1546 CD1 TYR A 101 -6.309 -4.692 7.298 1.00 0.00 C ATOM 1547 CD2 TYR A 101 -6.492 -5.953 5.284 1.00 0.00 C ATOM 1548 CE1 TYR A 101 -7.682 -4.546 7.337 1.00 0.00 C ATOM 1549 CE2 TYR A 101 -7.866 -5.811 5.314 1.00 0.00 C ATOM 1550 CZ TYR A 101 -8.456 -5.107 6.343 1.00 0.00 C ATOM 1551 OH TYR A 101 -9.824 -4.963 6.378 1.00 0.00 O ATOM 0 H TYR A 101 -1.754 -5.203 6.548 1.00 0.00 H new ATOM 0 HA TYR A 101 -3.452 -4.360 4.608 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -3.936 -6.416 5.616 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.827 -5.770 7.241 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -5.706 -4.251 8.078 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -6.033 -6.506 4.478 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.147 -3.996 8.142 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.474 -6.249 4.536 1.00 0.00 H new ATOM 0 HH TYR A 101 -10.221 -5.416 5.605 1.00 0.00 H new ATOM 1561 N THR A 102 -3.953 -2.652 7.381 1.00 0.00 N ATOM 1562 CA THR A 102 -4.584 -1.456 7.924 1.00 0.00 C ATOM 1563 C THR A 102 -4.388 -0.261 6.997 1.00 0.00 C ATOM 1564 O THR A 102 -5.354 0.382 6.586 1.00 0.00 O ATOM 1565 CB THR A 102 -4.024 -1.108 9.316 1.00 0.00 C ATOM 1566 OG1 THR A 102 -4.040 -2.268 10.155 1.00 0.00 O ATOM 1567 CG2 THR A 102 -4.836 0.003 9.964 1.00 0.00 C ATOM 0 H THR A 102 -3.336 -3.137 8.033 1.00 0.00 H new ATOM 0 HA THR A 102 -5.648 -1.673 8.012 1.00 0.00 H new ATOM 0 HB THR A 102 -2.997 -0.763 9.194 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.294 -2.856 9.915 1.00 0.00 H new ATOM 0 HG21 THR A 102 -4.422 0.231 10.946 1.00 0.00 H new ATOM 0 HG22 THR A 102 -4.798 0.894 9.338 1.00 0.00 H new ATOM 0 HG23 THR A 102 -5.871 -0.319 10.073 1.00 0.00 H new ATOM 1575 N TYR A 103 -3.133 0.029 6.671 1.00 0.00 N ATOM 1576 CA TYR A 103 -2.811 1.148 5.794 1.00 0.00 C ATOM 1577 C TYR A 103 -3.525 1.011 4.452 1.00 0.00 C ATOM 1578 O TYR A 103 -4.311 1.876 4.064 1.00 0.00 O ATOM 1579 CB TYR A 103 -1.300 1.231 5.574 1.00 0.00 C ATOM 1580 CG TYR A 103 -0.863 2.476 4.835 1.00 0.00 C ATOM 1581 CD1 TYR A 103 -0.553 3.643 5.522 1.00 0.00 C ATOM 1582 CD2 TYR A 103 -0.760 2.485 3.449 1.00 0.00 C ATOM 1583 CE1 TYR A 103 -0.155 4.783 4.851 1.00 0.00 C ATOM 1584 CE2 TYR A 103 -0.361 3.620 2.770 1.00 0.00 C ATOM 1585 CZ TYR A 103 -0.060 4.766 3.475 1.00 0.00 C ATOM 1586 OH TYR A 103 0.338 5.899 2.803 1.00 0.00 O ATOM 0 H TYR A 103 -2.323 -0.495 7.001 1.00 0.00 H new ATOM 0 HA TYR A 103 -3.153 2.065 6.275 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -0.798 1.198 6.541 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -0.974 0.354 5.015 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -0.624 3.659 6.600 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -0.996 1.589 2.893 1.00 0.00 H new ATOM 0 HE1 TYR A 103 0.080 5.682 5.401 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -0.285 3.610 1.693 1.00 0.00 H new ATOM 0 HH TYR A 103 0.354 5.719 1.840 1.00 0.00 H new ATOM 1596 N ILE A 104 -3.245 -0.082 3.750 1.00 0.00 N ATOM 1597 CA ILE A 104 -3.861 -0.334 2.453 1.00 0.00 C ATOM 1598 C ILE A 104 -5.335 0.060 2.458 1.00 0.00 C ATOM 1599 O ILE A 104 -5.802 0.762 1.562 1.00 0.00 O ATOM 1600 CB ILE A 104 -3.739 -1.815 2.050 1.00 0.00 C ATOM 1601 CG1 ILE A 104 -2.266 -2.225 1.973 1.00 0.00 C ATOM 1602 CG2 ILE A 104 -4.432 -2.061 0.718 1.00 0.00 C ATOM 1603 CD1 ILE A 104 -1.548 -1.674 0.761 1.00 0.00 C ATOM 0 H ILE A 104 -2.596 -0.807 4.057 1.00 0.00 H new ATOM 0 HA ILE A 104 -3.326 0.277 1.726 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.228 -2.424 2.810 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.755 -1.885 2.874 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.200 -3.313 1.961 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -4.337 -3.112 0.447 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.487 -1.802 0.804 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -3.969 -1.444 -0.052 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.509 -2.005 0.772 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -2.034 -2.035 -0.145 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.582 -0.585 0.782 1.00 0.00 H new ATOM 1615 N GLN A 105 -6.059 -0.396 3.474 1.00 0.00 N ATOM 1616 CA GLN A 105 -7.480 -0.091 3.597 1.00 0.00 C ATOM 1617 C GLN A 105 -7.698 1.401 3.825 1.00 0.00 C ATOM 1618 O GLN A 105 -8.513 2.029 3.150 1.00 0.00 O ATOM 1619 CB GLN A 105 -8.098 -0.890 4.745 1.00 0.00 C ATOM 1620 CG GLN A 105 -9.585 -0.636 4.932 1.00 0.00 C ATOM 1621 CD GLN A 105 -10.420 -1.198 3.798 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -10.339 -0.732 2.661 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -11.229 -2.207 4.102 1.00 0.00 N ATOM 0 H GLN A 105 -5.686 -0.978 4.224 1.00 0.00 H new ATOM 0 HA GLN A 105 -7.968 -0.373 2.664 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -7.940 -1.953 4.563 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.577 -0.644 5.670 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -9.910 -1.081 5.873 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -9.760 0.437 5.009 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -11.265 -2.562 5.058 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -11.815 -2.627 3.380 1.00 0.00 H new ATOM 1632 N GLU A 106 -6.964 1.962 4.782 1.00 0.00 N ATOM 1633 CA GLU A 106 -7.079 3.381 5.099 1.00 0.00 C ATOM 1634 C GLU A 106 -6.876 4.236 3.852 1.00 0.00 C ATOM 1635 O GLU A 106 -7.748 5.018 3.473 1.00 0.00 O ATOM 1636 CB GLU A 106 -6.058 3.771 6.170 1.00 0.00 C ATOM 1637 CG GLU A 106 -6.248 5.179 6.708 1.00 0.00 C ATOM 1638 CD GLU A 106 -7.564 5.352 7.441 1.00 0.00 C ATOM 1639 OE1 GLU A 106 -7.752 4.691 8.484 1.00 0.00 O ATOM 1640 OE2 GLU A 106 -8.406 6.146 6.972 1.00 0.00 O ATOM 0 H GLU A 106 -6.285 1.456 5.350 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.084 3.561 5.482 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.123 3.063 6.997 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.055 3.683 5.753 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.426 5.420 7.383 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.201 5.889 5.882 1.00 0.00 H new ATOM 1647 N PHE A 107 -5.719 4.081 3.218 1.00 0.00 N ATOM 1648 CA PHE A 107 -5.399 4.839 2.014 1.00 0.00 C ATOM 1649 C PHE A 107 -6.483 4.661 0.955 1.00 0.00 C ATOM 1650 O PHE A 107 -7.050 5.635 0.460 1.00 0.00 O ATOM 1651 CB PHE A 107 -4.045 4.400 1.453 1.00 0.00 C ATOM 1652 CG PHE A 107 -3.428 5.404 0.522 1.00 0.00 C ATOM 1653 CD1 PHE A 107 -3.339 6.739 0.881 1.00 0.00 C ATOM 1654 CD2 PHE A 107 -2.937 5.012 -0.713 1.00 0.00 C ATOM 1655 CE1 PHE A 107 -2.771 7.665 0.026 1.00 0.00 C ATOM 1656 CE2 PHE A 107 -2.367 5.933 -1.572 1.00 0.00 C ATOM 1657 CZ PHE A 107 -2.286 7.262 -1.202 1.00 0.00 C ATOM 0 H PHE A 107 -4.987 3.437 3.518 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.348 5.894 2.283 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.360 4.215 2.281 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.169 3.455 0.925 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.718 7.060 1.840 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.000 3.975 -1.008 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.707 8.703 0.318 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.986 5.614 -2.531 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.844 7.984 -1.872 1.00 0.00 H new ATOM 1667 N TYR A 108 -6.766 3.409 0.612 1.00 0.00 N ATOM 1668 CA TYR A 108 -7.779 3.101 -0.390 1.00 0.00 C ATOM 1669 C TYR A 108 -9.011 3.982 -0.208 1.00 0.00 C ATOM 1670 O TYR A 108 -9.493 4.600 -1.157 1.00 0.00 O ATOM 1671 CB TYR A 108 -8.176 1.626 -0.309 1.00 0.00 C ATOM 1672 CG TYR A 108 -9.327 1.258 -1.217 1.00 0.00 C ATOM 1673 CD1 TYR A 108 -9.128 1.063 -2.579 1.00 0.00 C ATOM 1674 CD2 TYR A 108 -10.613 1.106 -0.715 1.00 0.00 C ATOM 1675 CE1 TYR A 108 -10.177 0.727 -3.413 1.00 0.00 C ATOM 1676 CE2 TYR A 108 -11.668 0.769 -1.541 1.00 0.00 C ATOM 1677 CZ TYR A 108 -11.445 0.580 -2.889 1.00 0.00 C ATOM 1678 OH TYR A 108 -12.492 0.245 -3.716 1.00 0.00 O ATOM 0 H TYR A 108 -6.308 2.591 1.013 1.00 0.00 H new ATOM 0 HA TYR A 108 -7.353 3.302 -1.373 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -7.312 1.012 -0.564 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -8.445 1.387 0.720 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -8.137 1.176 -2.992 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.792 1.254 0.340 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -10.006 0.580 -4.469 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -12.662 0.654 -1.134 1.00 0.00 H new ATOM 0 HH TYR A 108 -13.316 0.180 -3.190 1.00 0.00 H new ATOM 1688 N ARG A 109 -9.515 4.035 1.021 1.00 0.00 N ATOM 1689 CA ARG A 109 -10.691 4.839 1.330 1.00 0.00 C ATOM 1690 C ARG A 109 -10.505 6.278 0.858 1.00 0.00 C ATOM 1691 O ARG A 109 -11.442 6.905 0.360 1.00 0.00 O ATOM 1692 CB ARG A 109 -10.970 4.817 2.834 1.00 0.00 C ATOM 1693 CG ARG A 109 -12.363 5.302 3.203 1.00 0.00 C ATOM 1694 CD ARG A 109 -12.861 4.645 4.481 1.00 0.00 C ATOM 1695 NE ARG A 109 -12.249 5.229 5.671 1.00 0.00 N ATOM 1696 CZ ARG A 109 -12.545 6.440 6.130 1.00 0.00 C ATOM 1697 NH1 ARG A 109 -13.440 7.191 5.502 1.00 0.00 N ATOM 1698 NH2 ARG A 109 -11.946 6.903 7.220 1.00 0.00 N ATOM 0 H ARG A 109 -9.127 3.531 1.818 1.00 0.00 H new ATOM 0 HA ARG A 109 -11.543 4.409 0.803 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -10.839 3.800 3.204 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -10.232 5.439 3.341 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -12.351 6.385 3.330 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -13.053 5.084 2.388 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -13.944 4.748 4.543 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -12.643 3.577 4.448 1.00 0.00 H new ATOM 0 HE ARG A 109 -11.557 4.677 6.177 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -13.903 6.839 4.664 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -13.665 8.120 5.857 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -11.257 6.329 7.706 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -12.174 7.833 7.571 1.00 0.00 H new ATOM 1712 N CYS A 110 -9.293 6.796 1.017 1.00 0.00 N ATOM 1713 CA CYS A 110 -8.984 8.162 0.609 1.00 0.00 C ATOM 1714 C CYS A 110 -9.043 8.301 -0.909 1.00 0.00 C ATOM 1715 O CYS A 110 -9.716 9.189 -1.436 1.00 0.00 O ATOM 1716 CB CYS A 110 -7.600 8.568 1.117 1.00 0.00 C ATOM 1717 SG CYS A 110 -7.509 8.795 2.908 1.00 0.00 S ATOM 0 H CYS A 110 -8.507 6.291 1.426 1.00 0.00 H new ATOM 0 HA CYS A 110 -9.731 8.824 1.046 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -6.878 7.807 0.821 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -7.303 9.496 0.628 1.00 0.00 H new ATOM 0 HG CYS A 110 -6.299 9.135 3.241 1.00 0.00 H new ATOM 1723 N LEU A 111 -8.334 7.421 -1.607 1.00 0.00 N ATOM 1724 CA LEU A 111 -8.304 7.447 -3.065 1.00 0.00 C ATOM 1725 C LEU A 111 -9.717 7.448 -3.639 1.00 0.00 C ATOM 1726 O LEU A 111 -10.116 8.382 -4.335 1.00 0.00 O ATOM 1727 CB LEU A 111 -7.525 6.244 -3.600 1.00 0.00 C ATOM 1728 CG LEU A 111 -6.150 6.004 -2.976 1.00 0.00 C ATOM 1729 CD1 LEU A 111 -5.554 4.700 -3.483 1.00 0.00 C ATOM 1730 CD2 LEU A 111 -5.218 7.170 -3.274 1.00 0.00 C ATOM 0 H LEU A 111 -7.772 6.681 -1.187 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.804 8.364 -3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -8.130 5.350 -3.452 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -7.397 6.368 -4.675 1.00 0.00 H new ATOM 0 HG LEU A 111 -6.271 5.928 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.576 4.546 -3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.212 3.872 -3.218 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.447 4.746 -4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.244 6.982 -2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -5.103 7.277 -4.353 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.639 8.087 -2.861 1.00 0.00 H new ATOM 1742 N VAL A 112 -10.472 6.395 -3.340 1.00 0.00 N ATOM 1743 CA VAL A 112 -11.843 6.275 -3.823 1.00 0.00 C ATOM 1744 C VAL A 112 -12.557 7.622 -3.788 1.00 0.00 C ATOM 1745 O VAL A 112 -13.257 7.988 -4.732 1.00 0.00 O ATOM 1746 CB VAL A 112 -12.645 5.259 -2.989 1.00 0.00 C ATOM 1747 CG1 VAL A 112 -14.083 5.184 -3.478 1.00 0.00 C ATOM 1748 CG2 VAL A 112 -11.984 3.890 -3.039 1.00 0.00 C ATOM 0 H VAL A 112 -10.157 5.613 -2.766 1.00 0.00 H new ATOM 0 HA VAL A 112 -11.787 5.923 -4.853 1.00 0.00 H new ATOM 0 HB VAL A 112 -12.656 5.594 -1.952 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -14.634 4.461 -2.877 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -14.550 6.164 -3.386 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -14.096 4.873 -4.523 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -12.564 3.184 -2.444 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.941 3.544 -4.072 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -10.973 3.959 -2.637 1.00 0.00 H new ATOM 1758 N GLN A 113 -12.375 8.354 -2.694 1.00 0.00 N ATOM 1759 CA GLN A 113 -13.003 9.660 -2.536 1.00 0.00 C ATOM 1760 C GLN A 113 -12.314 10.704 -3.409 1.00 0.00 C ATOM 1761 O GLN A 113 -12.970 11.534 -4.038 1.00 0.00 O ATOM 1762 CB GLN A 113 -12.962 10.096 -1.070 1.00 0.00 C ATOM 1763 CG GLN A 113 -13.708 9.158 -0.136 1.00 0.00 C ATOM 1764 CD GLN A 113 -13.452 9.465 1.326 1.00 0.00 C ATOM 1765 OE1 GLN A 113 -12.303 9.550 1.763 1.00 0.00 O ATOM 1766 NE2 GLN A 113 -14.523 9.634 2.093 1.00 0.00 N ATOM 0 H GLN A 113 -11.798 8.065 -1.904 1.00 0.00 H new ATOM 0 HA GLN A 113 -14.042 9.576 -2.853 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -11.923 10.164 -0.749 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -13.389 11.095 -0.985 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -14.777 9.227 -0.336 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -13.410 8.131 -0.345 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -15.457 9.555 1.690 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -14.412 9.843 3.085 1.00 0.00 H new ATOM 1775 N LYS A 114 -10.986 10.658 -3.442 1.00 0.00 N ATOM 1776 CA LYS A 114 -10.207 11.599 -4.237 1.00 0.00 C ATOM 1777 C LYS A 114 -10.618 11.542 -5.705 1.00 0.00 C ATOM 1778 O LYS A 114 -10.636 12.560 -6.395 1.00 0.00 O ATOM 1779 CB LYS A 114 -8.713 11.296 -4.104 1.00 0.00 C ATOM 1780 CG LYS A 114 -8.080 11.894 -2.859 1.00 0.00 C ATOM 1781 CD LYS A 114 -7.898 13.397 -2.994 1.00 0.00 C ATOM 1782 CE LYS A 114 -6.729 13.738 -3.905 1.00 0.00 C ATOM 1783 NZ LYS A 114 -6.857 15.104 -4.484 1.00 0.00 N ATOM 0 H LYS A 114 -10.427 9.978 -2.927 1.00 0.00 H new ATOM 0 HA LYS A 114 -10.404 12.603 -3.861 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.570 10.216 -4.091 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.194 11.676 -4.984 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -8.705 11.678 -1.992 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.113 11.424 -2.679 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.811 13.841 -3.391 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.733 13.834 -2.009 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -5.798 13.668 -3.343 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.671 13.006 -4.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.041 15.298 -5.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -7.733 15.164 -5.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -6.887 15.805 -3.716 1.00 0.00 H new ATOM 1797 N GLY A 115 -10.950 10.343 -6.176 1.00 0.00 N ATOM 1798 CA GLY A 115 -11.358 10.177 -7.559 1.00 0.00 C ATOM 1799 C GLY A 115 -10.339 9.408 -8.376 1.00 0.00 C ATOM 1800 O GLY A 115 -10.230 9.600 -9.587 1.00 0.00 O ATOM 0 H GLY A 115 -10.944 9.485 -5.625 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -12.314 9.655 -7.592 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -11.514 11.158 -8.009 1.00 0.00 H new ATOM 1804 N LEU A 116 -9.589 8.535 -7.712 1.00 0.00 N ATOM 1805 CA LEU A 116 -8.571 7.735 -8.384 1.00 0.00 C ATOM 1806 C LEU A 116 -9.060 6.307 -8.608 1.00 0.00 C ATOM 1807 O LEU A 116 -8.832 5.720 -9.666 1.00 0.00 O ATOM 1808 CB LEU A 116 -7.280 7.721 -7.563 1.00 0.00 C ATOM 1809 CG LEU A 116 -6.470 9.018 -7.564 1.00 0.00 C ATOM 1810 CD1 LEU A 116 -5.455 9.014 -6.432 1.00 0.00 C ATOM 1811 CD2 LEU A 116 -5.775 9.211 -8.904 1.00 0.00 C ATOM 0 H LEU A 116 -9.667 8.363 -6.710 1.00 0.00 H new ATOM 0 HA LEU A 116 -8.372 8.188 -9.355 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -7.532 7.474 -6.532 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -6.644 6.919 -7.937 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.155 9.852 -7.408 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.888 9.945 -6.449 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.974 8.922 -5.478 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -4.774 8.172 -6.557 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.203 10.139 -8.887 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.102 8.374 -9.089 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.521 9.259 -9.697 1.00 0.00 H new ATOM 1823 N VAL A 117 -9.736 5.755 -7.605 1.00 0.00 N ATOM 1824 CA VAL A 117 -10.261 4.398 -7.693 1.00 0.00 C ATOM 1825 C VAL A 117 -11.743 4.404 -8.048 1.00 0.00 C ATOM 1826 O VAL A 117 -12.546 5.074 -7.397 1.00 0.00 O ATOM 1827 CB VAL A 117 -10.063 3.633 -6.371 1.00 0.00 C ATOM 1828 CG1 VAL A 117 -10.672 2.242 -6.463 1.00 0.00 C ATOM 1829 CG2 VAL A 117 -8.586 3.555 -6.017 1.00 0.00 C ATOM 0 H VAL A 117 -9.933 6.227 -6.722 1.00 0.00 H new ATOM 0 HA VAL A 117 -9.704 3.894 -8.483 1.00 0.00 H new ATOM 0 HB VAL A 117 -10.575 4.176 -5.577 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -10.522 1.716 -5.520 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.740 2.325 -6.667 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.191 1.687 -7.268 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -8.465 3.011 -5.080 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -8.049 3.035 -6.810 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -8.185 4.562 -5.906 1.00 0.00 H new