USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 674 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 32 SER OG : rot -160:sc= -0.592 USER MOD Set 1.2: A 64 MET CE :methyl -144:sc= -0.193 (180deg=-1.72!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 177:sc= 0.0743 (180deg=0.0723) USER MOD Single : A 16 LYS NZ :NH3+ -172:sc= 0.0128 (180deg=0) USER MOD Single : A 17 TYR OH : rot 130:sc= -2.63! USER MOD Single : A 23 SER OG : rot 92:sc= 0.383 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -1.29! C(o=-1.3!,f=-0.92!) USER MOD Single : A 35 LYS NZ :NH3+ 142:sc= -1.03! (180deg=-2.99!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN :FLIP amide:sc= -5.09! C(o=-7.5!,f=-5.1!) USER MOD Single : A 43 SER OG : rot -70:sc= -1.01 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 68:sc= -2.41! USER MOD Single : A 61 HIS :FLIP no HE2:sc= -3.46 F(o=-6.2!,f=-3.5) USER MOD Single : A 74 MET CE :methyl 134:sc= -2.67! (180deg=-5.55!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 97:sc= -0.66! USER MOD Single : A 88 MET CE :methyl -172:sc= -0.016 (180deg=-0.186) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N TRP A 7 -12.086 -1.481 17.489 1.00 0.00 N ATOM 16 CA TRP A 7 -11.078 -1.097 16.468 1.00 0.00 C ATOM 17 C TRP A 7 -10.268 -2.320 16.049 1.00 0.00 C ATOM 18 O TRP A 7 -9.621 -2.958 16.855 1.00 0.00 O ATOM 19 CB TRP A 7 -10.179 -0.066 17.146 1.00 0.00 C ATOM 20 CG TRP A 7 -9.262 0.527 16.129 1.00 0.00 C ATOM 21 CD1 TRP A 7 -9.397 0.383 14.793 1.00 0.00 C ATOM 22 CD2 TRP A 7 -8.080 1.349 16.336 1.00 0.00 C ATOM 23 NE1 TRP A 7 -8.372 1.064 14.163 1.00 0.00 N ATOM 24 CE2 TRP A 7 -7.532 1.678 15.073 1.00 0.00 C ATOM 25 CE3 TRP A 7 -7.437 1.836 17.487 1.00 0.00 C ATOM 26 CZ2 TRP A 7 -6.386 2.464 14.957 1.00 0.00 C ATOM 27 CZ3 TRP A 7 -6.282 2.628 17.374 1.00 0.00 C ATOM 28 CH2 TRP A 7 -5.758 2.942 16.111 1.00 0.00 C ATOM 0 HA TRP A 7 -11.541 -0.693 15.568 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -10.784 0.715 17.607 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -9.603 -0.536 17.943 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -10.179 -0.174 14.297 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -8.251 1.108 13.151 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -7.833 1.600 18.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -5.986 2.702 13.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -5.795 2.997 18.264 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -4.871 3.552 16.030 1.00 0.00 H new ATOM 39 N ALA A 8 -10.301 -2.651 14.792 1.00 0.00 N ATOM 40 CA ALA A 8 -9.536 -3.830 14.309 1.00 0.00 C ATOM 41 C ALA A 8 -8.115 -3.803 14.873 1.00 0.00 C ATOM 42 O ALA A 8 -7.480 -4.825 15.042 1.00 0.00 O ATOM 43 CB ALA A 8 -9.511 -3.670 12.796 1.00 0.00 C ATOM 0 H ALA A 8 -10.828 -2.153 14.074 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.981 -4.776 14.619 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.963 -4.501 12.351 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.532 -3.662 12.414 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.020 -2.732 12.537 1.00 0.00 H new ATOM 49 N VAL A 9 -7.612 -2.635 15.162 1.00 0.00 N ATOM 50 CA VAL A 9 -6.228 -2.534 15.712 1.00 0.00 C ATOM 51 C VAL A 9 -6.263 -2.527 17.242 1.00 0.00 C ATOM 52 O VAL A 9 -6.993 -1.774 17.856 1.00 0.00 O ATOM 53 CB VAL A 9 -5.678 -1.209 15.180 1.00 0.00 C ATOM 54 CG1 VAL A 9 -4.417 -0.829 15.957 1.00 0.00 C ATOM 55 CG2 VAL A 9 -5.331 -1.359 13.695 1.00 0.00 C ATOM 0 H VAL A 9 -8.098 -1.746 15.042 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.607 -3.379 15.414 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.431 -0.430 15.303 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.026 0.115 15.577 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.659 -0.722 17.014 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.665 -1.609 15.834 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.939 -0.415 13.316 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.579 -2.139 13.574 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.228 -1.630 13.137 1.00 0.00 H new ATOM 65 N LYS A 10 -5.475 -3.362 17.862 1.00 0.00 N ATOM 66 CA LYS A 10 -5.455 -3.408 19.351 1.00 0.00 C ATOM 67 C LYS A 10 -4.340 -2.502 19.882 1.00 0.00 C ATOM 68 O LYS A 10 -3.619 -1.898 19.115 1.00 0.00 O ATOM 69 CB LYS A 10 -5.168 -4.872 19.687 1.00 0.00 C ATOM 70 CG LYS A 10 -6.440 -5.534 20.219 1.00 0.00 C ATOM 71 CD LYS A 10 -6.107 -6.359 21.464 1.00 0.00 C ATOM 72 CE LYS A 10 -6.405 -7.836 21.191 1.00 0.00 C ATOM 73 NZ LYS A 10 -5.633 -8.578 22.225 1.00 0.00 N ATOM 0 H LYS A 10 -4.843 -4.016 17.400 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.387 -3.062 19.798 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.816 -5.397 18.799 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.374 -4.936 20.431 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.183 -4.774 20.462 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.877 -6.174 19.452 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.057 -6.231 21.728 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.694 -6.009 22.313 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.472 -8.045 21.268 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.096 -8.122 20.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.785 -9.600 22.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.620 -8.364 22.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.953 -8.289 23.171 1.00 0.00 H new ATOM 87 N PRO A 11 -4.230 -2.442 21.183 1.00 0.00 N ATOM 88 CA PRO A 11 -3.181 -1.603 21.816 1.00 0.00 C ATOM 89 C PRO A 11 -1.793 -2.181 21.524 1.00 0.00 C ATOM 90 O PRO A 11 -0.834 -1.458 21.343 1.00 0.00 O ATOM 91 CB PRO A 11 -3.511 -1.677 23.304 1.00 0.00 C ATOM 92 CG PRO A 11 -4.283 -2.947 23.459 1.00 0.00 C ATOM 93 CD PRO A 11 -5.053 -3.137 22.180 1.00 0.00 C ATOM 0 HA PRO A 11 -3.164 -0.578 21.445 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.605 -1.688 23.910 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.098 -0.816 23.623 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.614 -3.789 23.638 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.958 -2.889 24.313 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.174 -4.193 21.936 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.053 -2.708 22.245 1.00 0.00 H new ATOM 101 N GLU A 12 -1.683 -3.480 21.473 1.00 0.00 N ATOM 102 CA GLU A 12 -0.359 -4.106 21.188 1.00 0.00 C ATOM 103 C GLU A 12 -0.019 -3.962 19.702 1.00 0.00 C ATOM 104 O GLU A 12 1.133 -3.938 19.319 1.00 0.00 O ATOM 105 CB GLU A 12 -0.527 -5.579 21.559 1.00 0.00 C ATOM 106 CG GLU A 12 -1.667 -6.186 20.736 1.00 0.00 C ATOM 107 CD GLU A 12 -1.090 -7.137 19.684 1.00 0.00 C ATOM 108 OE1 GLU A 12 0.123 -7.244 19.610 1.00 0.00 O ATOM 109 OE2 GLU A 12 -1.873 -7.743 18.970 1.00 0.00 O ATOM 0 H GLU A 12 -2.451 -4.135 21.616 1.00 0.00 H new ATOM 0 HA GLU A 12 0.450 -3.636 21.748 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.400 -6.120 21.371 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.742 -5.675 22.623 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.354 -6.724 21.389 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.240 -5.396 20.251 1.00 0.00 H new ATOM 116 N ASP A 13 -1.014 -3.855 18.868 1.00 0.00 N ATOM 117 CA ASP A 13 -0.748 -3.698 17.412 1.00 0.00 C ATOM 118 C ASP A 13 -0.542 -2.218 17.108 1.00 0.00 C ATOM 119 O ASP A 13 0.294 -1.842 16.309 1.00 0.00 O ATOM 120 CB ASP A 13 -2.002 -4.230 16.718 1.00 0.00 C ATOM 121 CG ASP A 13 -1.840 -5.726 16.447 1.00 0.00 C ATOM 122 OD1 ASP A 13 -0.829 -6.099 15.874 1.00 0.00 O ATOM 123 OD2 ASP A 13 -2.730 -6.475 16.816 1.00 0.00 O ATOM 0 H ASP A 13 -1.999 -3.869 19.131 1.00 0.00 H new ATOM 0 HA ASP A 13 0.142 -4.231 17.077 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.878 -4.056 17.343 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.167 -3.696 15.782 1.00 0.00 H new ATOM 128 N LYS A 14 -1.287 -1.375 17.763 1.00 0.00 N ATOM 129 CA LYS A 14 -1.129 0.084 17.542 1.00 0.00 C ATOM 130 C LYS A 14 0.131 0.567 18.260 1.00 0.00 C ATOM 131 O LYS A 14 0.619 1.654 18.024 1.00 0.00 O ATOM 132 CB LYS A 14 -2.377 0.719 18.152 1.00 0.00 C ATOM 133 CG LYS A 14 -2.798 1.924 17.310 1.00 0.00 C ATOM 134 CD LYS A 14 -1.955 3.138 17.703 1.00 0.00 C ATOM 135 CE LYS A 14 -2.875 4.314 18.035 1.00 0.00 C ATOM 136 NZ LYS A 14 -2.410 4.800 19.363 1.00 0.00 N ATOM 0 H LYS A 14 -2.000 -1.636 18.444 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.026 0.344 16.488 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.186 -0.010 18.193 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.176 1.030 19.177 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.667 1.705 16.250 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.856 2.137 17.463 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.331 2.897 18.563 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.284 3.407 16.887 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.803 5.097 17.280 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.919 4.001 18.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.959 5.639 19.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.543 4.052 20.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.402 5.049 19.308 1.00 0.00 H new ATOM 150 N ALA A 15 0.671 -0.249 19.127 1.00 0.00 N ATOM 151 CA ALA A 15 1.911 0.148 19.850 1.00 0.00 C ATOM 152 C ALA A 15 3.090 0.069 18.888 1.00 0.00 C ATOM 153 O ALA A 15 3.946 0.933 18.861 1.00 0.00 O ATOM 154 CB ALA A 15 2.059 -0.869 20.982 1.00 0.00 C ATOM 0 H ALA A 15 0.306 -1.172 19.364 1.00 0.00 H new ATOM 0 HA ALA A 15 1.872 1.165 20.239 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.954 -0.641 21.561 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.185 -0.821 21.631 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.144 -1.871 20.562 1.00 0.00 H new ATOM 160 N LYS A 16 3.124 -0.948 18.072 1.00 0.00 N ATOM 161 CA LYS A 16 4.226 -1.066 17.084 1.00 0.00 C ATOM 162 C LYS A 16 3.929 -0.101 15.930 1.00 0.00 C ATOM 163 O LYS A 16 4.819 0.384 15.259 1.00 0.00 O ATOM 164 CB LYS A 16 4.212 -2.549 16.654 1.00 0.00 C ATOM 165 CG LYS A 16 3.775 -2.708 15.193 1.00 0.00 C ATOM 166 CD LYS A 16 4.214 -4.079 14.671 1.00 0.00 C ATOM 167 CE LYS A 16 3.638 -5.179 15.566 1.00 0.00 C ATOM 168 NZ LYS A 16 2.424 -5.663 14.851 1.00 0.00 N ATOM 0 H LYS A 16 2.436 -1.700 18.049 1.00 0.00 H new ATOM 0 HA LYS A 16 5.213 -0.803 17.466 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.206 -2.976 16.786 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.536 -3.109 17.300 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.693 -2.607 15.114 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.214 -1.918 14.584 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.872 -4.215 13.645 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.302 -4.142 14.655 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.357 -5.985 15.713 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.386 -4.793 16.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.900 -6.321 15.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.816 -4.854 14.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.707 -6.153 13.979 1.00 0.00 H new ATOM 182 N TYR A 17 2.672 0.195 15.715 1.00 0.00 N ATOM 183 CA TYR A 17 2.297 1.143 14.629 1.00 0.00 C ATOM 184 C TYR A 17 2.704 2.557 15.044 1.00 0.00 C ATOM 185 O TYR A 17 2.970 3.412 14.223 1.00 0.00 O ATOM 186 CB TYR A 17 0.771 1.052 14.520 1.00 0.00 C ATOM 187 CG TYR A 17 0.344 -0.331 14.077 1.00 0.00 C ATOM 188 CD1 TYR A 17 1.295 -1.334 13.861 1.00 0.00 C ATOM 189 CD2 TYR A 17 -1.016 -0.607 13.878 1.00 0.00 C ATOM 190 CE1 TYR A 17 0.891 -2.610 13.450 1.00 0.00 C ATOM 191 CE2 TYR A 17 -1.422 -1.881 13.465 1.00 0.00 C ATOM 192 CZ TYR A 17 -0.467 -2.884 13.250 1.00 0.00 C ATOM 193 OH TYR A 17 -0.864 -4.141 12.841 1.00 0.00 O ATOM 0 H TYR A 17 1.889 -0.182 16.248 1.00 0.00 H new ATOM 0 HA TYR A 17 2.784 0.910 13.682 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.319 1.286 15.484 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.408 1.794 13.809 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.344 -1.124 14.012 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.752 0.166 14.044 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.627 -3.383 13.287 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.470 -2.091 13.312 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.583 -4.463 13.424 1.00 0.00 H new ATOM 203 N ASP A 18 2.744 2.798 16.324 1.00 0.00 N ATOM 204 CA ASP A 18 3.126 4.149 16.828 1.00 0.00 C ATOM 205 C ASP A 18 4.645 4.294 16.828 1.00 0.00 C ATOM 206 O ASP A 18 5.177 5.375 16.991 1.00 0.00 O ATOM 207 CB ASP A 18 2.584 4.199 18.256 1.00 0.00 C ATOM 208 CG ASP A 18 1.592 5.357 18.395 1.00 0.00 C ATOM 209 OD1 ASP A 18 0.444 5.174 18.024 1.00 0.00 O ATOM 210 OD2 ASP A 18 1.996 6.404 18.873 1.00 0.00 O ATOM 0 H ASP A 18 2.527 2.114 17.049 1.00 0.00 H new ATOM 0 HA ASP A 18 2.728 4.954 16.211 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.094 3.257 18.502 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.405 4.325 18.962 1.00 0.00 H new ATOM 215 N ALA A 19 5.346 3.217 16.620 1.00 0.00 N ATOM 216 CA ALA A 19 6.830 3.298 16.577 1.00 0.00 C ATOM 217 C ALA A 19 7.233 3.437 15.123 1.00 0.00 C ATOM 218 O ALA A 19 8.142 4.162 14.770 1.00 0.00 O ATOM 219 CB ALA A 19 7.333 1.978 17.155 1.00 0.00 C ATOM 0 H ALA A 19 4.956 2.285 16.478 1.00 0.00 H new ATOM 0 HA ALA A 19 7.239 4.139 17.138 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.423 1.972 17.152 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.972 1.867 18.177 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.964 1.151 16.548 1.00 0.00 H new ATOM 225 N ILE A 20 6.512 2.767 14.273 1.00 0.00 N ATOM 226 CA ILE A 20 6.777 2.864 12.831 1.00 0.00 C ATOM 227 C ILE A 20 6.252 4.213 12.360 1.00 0.00 C ATOM 228 O ILE A 20 6.813 4.849 11.495 1.00 0.00 O ATOM 229 CB ILE A 20 5.967 1.728 12.224 1.00 0.00 C ATOM 230 CG1 ILE A 20 6.555 0.383 12.650 1.00 0.00 C ATOM 231 CG2 ILE A 20 6.011 1.847 10.712 1.00 0.00 C ATOM 232 CD1 ILE A 20 5.656 -0.742 12.134 1.00 0.00 C ATOM 0 H ILE A 20 5.741 2.150 14.528 1.00 0.00 H new ATOM 0 HA ILE A 20 7.830 2.791 12.559 1.00 0.00 H new ATOM 0 HB ILE A 20 4.936 1.788 12.572 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.564 0.271 12.252 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.633 0.334 13.736 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.433 1.037 10.266 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.587 2.804 10.410 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.045 1.785 10.372 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.069 -1.705 12.434 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.656 -0.630 12.553 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.601 -0.694 11.046 1.00 0.00 H new ATOM 244 N PHE A 21 5.180 4.657 12.962 1.00 0.00 N ATOM 245 CA PHE A 21 4.604 5.977 12.598 1.00 0.00 C ATOM 246 C PHE A 21 5.607 7.068 12.983 1.00 0.00 C ATOM 247 O PHE A 21 5.804 8.034 12.274 1.00 0.00 O ATOM 248 CB PHE A 21 3.312 6.081 13.425 1.00 0.00 C ATOM 249 CG PHE A 21 3.037 7.521 13.801 1.00 0.00 C ATOM 250 CD1 PHE A 21 3.741 8.109 14.859 1.00 0.00 C ATOM 251 CD2 PHE A 21 2.084 8.264 13.094 1.00 0.00 C ATOM 252 CE1 PHE A 21 3.492 9.439 15.211 1.00 0.00 C ATOM 253 CE2 PHE A 21 1.834 9.596 13.448 1.00 0.00 C ATOM 254 CZ PHE A 21 2.540 10.183 14.507 1.00 0.00 C ATOM 0 H PHE A 21 4.678 4.155 13.695 1.00 0.00 H new ATOM 0 HA PHE A 21 4.396 6.089 11.534 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.474 5.682 12.853 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.400 5.474 14.326 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.476 7.535 15.403 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.542 7.811 12.277 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.035 9.892 16.027 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.098 10.170 12.905 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.349 11.210 14.779 1.00 0.00 H new ATOM 264 N ASP A 22 6.248 6.900 14.104 1.00 0.00 N ATOM 265 CA ASP A 22 7.252 7.900 14.554 1.00 0.00 C ATOM 266 C ASP A 22 8.631 7.534 13.997 1.00 0.00 C ATOM 267 O ASP A 22 9.613 8.198 14.258 1.00 0.00 O ATOM 268 CB ASP A 22 7.238 7.817 16.080 1.00 0.00 C ATOM 269 CG ASP A 22 8.493 8.490 16.635 1.00 0.00 C ATOM 270 OD1 ASP A 22 8.820 9.568 16.167 1.00 0.00 O ATOM 271 OD2 ASP A 22 9.107 7.916 17.520 1.00 0.00 O ATOM 0 H ASP A 22 6.118 6.107 14.732 1.00 0.00 H new ATOM 0 HA ASP A 22 7.027 8.908 14.207 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.346 8.304 16.474 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.199 6.775 16.398 1.00 0.00 H new ATOM 276 N SER A 23 8.703 6.492 13.211 1.00 0.00 N ATOM 277 CA SER A 23 10.009 6.096 12.614 1.00 0.00 C ATOM 278 C SER A 23 10.136 6.732 11.229 1.00 0.00 C ATOM 279 O SER A 23 11.114 6.556 10.530 1.00 0.00 O ATOM 280 CB SER A 23 9.955 4.573 12.510 1.00 0.00 C ATOM 281 OG SER A 23 10.715 4.002 13.568 1.00 0.00 O ATOM 0 H SER A 23 7.913 5.899 12.958 1.00 0.00 H new ATOM 0 HA SER A 23 10.865 6.422 13.205 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.922 4.230 12.563 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.350 4.249 11.547 1.00 0.00 H new ATOM 0 HG SER A 23 10.132 3.838 14.338 1.00 0.00 H new ATOM 287 N LEU A 24 9.142 7.482 10.842 1.00 0.00 N ATOM 288 CA LEU A 24 9.164 8.159 9.516 1.00 0.00 C ATOM 289 C LEU A 24 9.158 9.673 9.733 1.00 0.00 C ATOM 290 O LEU A 24 9.200 10.444 8.795 1.00 0.00 O ATOM 291 CB LEU A 24 7.871 7.737 8.795 1.00 0.00 C ATOM 292 CG LEU A 24 7.272 6.473 9.416 1.00 0.00 C ATOM 293 CD1 LEU A 24 5.889 6.212 8.815 1.00 0.00 C ATOM 294 CD2 LEU A 24 8.180 5.278 9.125 1.00 0.00 C ATOM 0 H LEU A 24 8.304 7.657 11.396 1.00 0.00 H new ATOM 0 HA LEU A 24 10.047 7.891 8.936 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.144 8.548 8.844 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.082 7.561 7.740 1.00 0.00 H new ATOM 0 HG LEU A 24 7.183 6.611 10.494 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.464 5.312 9.258 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.237 7.061 9.021 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.980 6.078 7.737 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.752 4.379 9.568 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.270 5.144 8.047 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.167 5.458 9.552 1.00 0.00 H new ATOM 306 N SER A 25 9.085 10.090 10.975 1.00 0.00 N ATOM 307 CA SER A 25 9.053 11.548 11.309 1.00 0.00 C ATOM 308 C SER A 25 7.639 12.096 11.107 1.00 0.00 C ATOM 309 O SER A 25 7.280 12.539 10.035 1.00 0.00 O ATOM 310 CB SER A 25 10.038 12.229 10.370 1.00 0.00 C ATOM 311 OG SER A 25 10.870 13.108 11.115 1.00 0.00 O ATOM 0 H SER A 25 9.046 9.470 11.784 1.00 0.00 H new ATOM 0 HA SER A 25 9.326 11.728 12.349 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.645 11.482 9.858 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.500 12.784 9.601 1.00 0.00 H new ATOM 0 HG SER A 25 11.506 13.546 10.512 1.00 0.00 H new ATOM 317 N PRO A 26 6.889 12.032 12.167 1.00 0.00 N ATOM 318 CA PRO A 26 5.486 12.509 12.159 1.00 0.00 C ATOM 319 C PRO A 26 5.441 14.035 12.184 1.00 0.00 C ATOM 320 O PRO A 26 6.296 14.686 12.750 1.00 0.00 O ATOM 321 CB PRO A 26 4.908 11.936 13.447 1.00 0.00 C ATOM 322 CG PRO A 26 6.087 11.745 14.347 1.00 0.00 C ATOM 323 CD PRO A 26 7.288 11.507 13.469 1.00 0.00 C ATOM 0 HA PRO A 26 4.935 12.200 11.271 1.00 0.00 H new ATOM 0 HB2 PRO A 26 4.179 12.615 13.889 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.394 10.992 13.264 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.238 12.624 14.974 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.927 10.900 15.016 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.170 12.021 13.852 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.536 10.447 13.412 1.00 0.00 H new ATOM 331 N VAL A 27 4.442 14.602 11.578 1.00 0.00 N ATOM 332 CA VAL A 27 4.318 16.086 11.561 1.00 0.00 C ATOM 333 C VAL A 27 3.028 16.497 12.274 1.00 0.00 C ATOM 334 O VAL A 27 1.940 16.291 11.774 1.00 0.00 O ATOM 335 CB VAL A 27 4.261 16.463 10.080 1.00 0.00 C ATOM 336 CG1 VAL A 27 4.231 17.986 9.938 1.00 0.00 C ATOM 337 CG2 VAL A 27 5.496 15.912 9.368 1.00 0.00 C ATOM 0 H VAL A 27 3.700 14.101 11.090 1.00 0.00 H new ATOM 0 HA VAL A 27 5.143 16.584 12.069 1.00 0.00 H new ATOM 0 HB VAL A 27 3.361 16.040 9.634 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.190 18.252 8.882 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.351 18.382 10.446 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.130 18.411 10.385 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.457 16.180 8.312 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.394 16.336 9.817 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.519 14.827 9.466 1.00 0.00 H new ATOM 347 N ASN A 28 3.135 17.069 13.442 1.00 0.00 N ATOM 348 CA ASN A 28 1.907 17.476 14.179 1.00 0.00 C ATOM 349 C ASN A 28 0.980 16.267 14.348 1.00 0.00 C ATOM 350 O ASN A 28 -0.209 16.404 14.554 1.00 0.00 O ATOM 351 CB ASN A 28 1.253 18.538 13.294 1.00 0.00 C ATOM 352 CG ASN A 28 -0.098 18.944 13.887 1.00 0.00 C ATOM 353 OD1 ASN A 28 -0.156 19.680 14.852 1.00 0.00 O ATOM 354 ND2 ASN A 28 -1.196 18.493 13.346 1.00 0.00 N ATOM 0 H ASN A 28 4.016 17.271 13.915 1.00 0.00 H new ATOM 0 HA ASN A 28 2.122 17.857 15.177 1.00 0.00 H new ATOM 0 HB2 ASN A 28 1.903 19.410 13.215 1.00 0.00 H new ATOM 0 HB3 ASN A 28 1.116 18.150 12.285 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -2.102 18.758 13.733 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -1.149 17.875 12.536 1.00 0.00 H new ATOM 361 N GLY A 29 1.522 15.081 14.257 1.00 0.00 N ATOM 362 CA GLY A 29 0.681 13.858 14.406 1.00 0.00 C ATOM 363 C GLY A 29 0.292 13.336 13.023 1.00 0.00 C ATOM 364 O GLY A 29 -0.784 12.806 12.826 1.00 0.00 O ATOM 0 H GLY A 29 2.512 14.907 14.086 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.228 13.092 14.955 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.214 14.087 14.985 1.00 0.00 H new ATOM 368 N PHE A 30 1.159 13.491 12.059 1.00 0.00 N ATOM 369 CA PHE A 30 0.841 13.016 10.682 1.00 0.00 C ATOM 370 C PHE A 30 2.101 12.597 9.933 1.00 0.00 C ATOM 371 O PHE A 30 3.171 13.131 10.140 1.00 0.00 O ATOM 372 CB PHE A 30 0.215 14.218 9.996 1.00 0.00 C ATOM 373 CG PHE A 30 -1.182 14.384 10.513 1.00 0.00 C ATOM 374 CD1 PHE A 30 -2.232 13.705 9.896 1.00 0.00 C ATOM 375 CD2 PHE A 30 -1.422 15.209 11.612 1.00 0.00 C ATOM 376 CE1 PHE A 30 -3.537 13.855 10.380 1.00 0.00 C ATOM 377 CE2 PHE A 30 -2.719 15.360 12.098 1.00 0.00 C ATOM 378 CZ PHE A 30 -3.782 14.682 11.484 1.00 0.00 C ATOM 0 H PHE A 30 2.075 13.927 12.166 1.00 0.00 H new ATOM 0 HA PHE A 30 0.186 12.145 10.702 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.801 15.115 10.194 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.205 14.075 8.915 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.039 13.065 9.047 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.603 15.730 12.086 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.354 13.334 9.903 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.906 16.000 12.948 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.787 14.797 11.861 1.00 0.00 H new ATOM 388 N LEU A 31 1.969 11.666 9.034 1.00 0.00 N ATOM 389 CA LEU A 31 3.149 11.238 8.238 1.00 0.00 C ATOM 390 C LEU A 31 2.882 11.519 6.766 1.00 0.00 C ATOM 391 O LEU A 31 1.850 11.169 6.231 1.00 0.00 O ATOM 392 CB LEU A 31 3.316 9.741 8.475 1.00 0.00 C ATOM 393 CG LEU A 31 4.022 9.512 9.811 1.00 0.00 C ATOM 394 CD1 LEU A 31 3.984 8.024 10.164 1.00 0.00 C ATOM 395 CD2 LEU A 31 5.478 9.972 9.699 1.00 0.00 C ATOM 0 H LEU A 31 1.097 11.184 8.816 1.00 0.00 H new ATOM 0 HA LEU A 31 4.053 11.773 8.528 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.342 9.252 8.478 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.894 9.296 7.665 1.00 0.00 H new ATOM 0 HG LEU A 31 3.516 10.081 10.591 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.488 7.863 11.117 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.948 7.695 10.241 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.489 7.452 9.385 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.985 9.810 10.650 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.981 9.401 8.918 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.506 11.032 9.449 1.00 0.00 H new ATOM 407 N SER A 32 3.798 12.160 6.117 1.00 0.00 N ATOM 408 CA SER A 32 3.608 12.490 4.679 1.00 0.00 C ATOM 409 C SER A 32 3.886 11.275 3.810 1.00 0.00 C ATOM 410 O SER A 32 4.830 10.543 4.027 1.00 0.00 O ATOM 411 CB SER A 32 4.616 13.596 4.379 1.00 0.00 C ATOM 412 OG SER A 32 5.484 13.764 5.493 1.00 0.00 O ATOM 0 H SER A 32 4.681 12.475 6.519 1.00 0.00 H new ATOM 0 HA SER A 32 2.585 12.803 4.470 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.194 13.344 3.490 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.095 14.530 4.167 1.00 0.00 H new ATOM 0 HG SER A 32 5.907 14.647 5.448 1.00 0.00 H new ATOM 418 N GLY A 33 3.075 11.065 2.812 1.00 0.00 N ATOM 419 CA GLY A 33 3.301 9.904 1.909 1.00 0.00 C ATOM 420 C GLY A 33 4.792 9.822 1.575 1.00 0.00 C ATOM 421 O GLY A 33 5.313 8.770 1.263 1.00 0.00 O ATOM 0 H GLY A 33 2.268 11.645 2.583 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.971 8.983 2.389 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.715 10.016 0.997 1.00 0.00 H new ATOM 425 N ASP A 34 5.485 10.929 1.644 1.00 0.00 N ATOM 426 CA ASP A 34 6.945 10.922 1.339 1.00 0.00 C ATOM 427 C ASP A 34 7.691 10.025 2.336 1.00 0.00 C ATOM 428 O ASP A 34 8.808 9.611 2.098 1.00 0.00 O ATOM 429 CB ASP A 34 7.380 12.381 1.492 1.00 0.00 C ATOM 430 CG ASP A 34 8.907 12.471 1.465 1.00 0.00 C ATOM 431 OD1 ASP A 34 9.494 11.952 0.531 1.00 0.00 O ATOM 432 OD2 ASP A 34 9.462 13.060 2.378 1.00 0.00 O ATOM 0 H ASP A 34 5.101 11.839 1.899 1.00 0.00 H new ATOM 0 HA ASP A 34 7.162 10.532 0.344 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.957 12.983 0.688 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.999 12.788 2.429 1.00 0.00 H new ATOM 437 N LYS A 35 7.075 9.718 3.447 1.00 0.00 N ATOM 438 CA LYS A 35 7.740 8.842 4.463 1.00 0.00 C ATOM 439 C LYS A 35 6.972 7.530 4.580 1.00 0.00 C ATOM 440 O LYS A 35 7.543 6.481 4.801 1.00 0.00 O ATOM 441 CB LYS A 35 7.720 9.595 5.808 1.00 0.00 C ATOM 442 CG LYS A 35 6.788 10.812 5.759 1.00 0.00 C ATOM 443 CD LYS A 35 7.184 11.786 6.866 1.00 0.00 C ATOM 444 CE LYS A 35 8.222 12.768 6.319 1.00 0.00 C ATOM 445 NZ LYS A 35 9.308 12.804 7.339 1.00 0.00 N ATOM 0 H LYS A 35 6.139 10.035 3.697 1.00 0.00 H new ATOM 0 HA LYS A 35 8.766 8.614 4.174 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.396 8.919 6.599 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.730 9.919 6.059 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.856 11.299 4.786 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.752 10.498 5.886 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.307 12.326 7.224 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.593 11.242 7.717 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.602 12.440 5.352 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.788 13.757 6.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.230 12.868 6.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.179 13.632 7.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.274 11.937 7.913 1.00 0.00 H new ATOM 459 N VAL A 36 5.683 7.578 4.426 1.00 0.00 N ATOM 460 CA VAL A 36 4.886 6.323 4.516 1.00 0.00 C ATOM 461 C VAL A 36 4.994 5.546 3.202 1.00 0.00 C ATOM 462 O VAL A 36 5.310 4.374 3.186 1.00 0.00 O ATOM 463 CB VAL A 36 3.447 6.769 4.747 1.00 0.00 C ATOM 464 CG1 VAL A 36 2.533 5.541 4.763 1.00 0.00 C ATOM 465 CG2 VAL A 36 3.347 7.502 6.085 1.00 0.00 C ATOM 0 H VAL A 36 5.146 8.426 4.243 1.00 0.00 H new ATOM 0 HA VAL A 36 5.238 5.670 5.315 1.00 0.00 H new ATOM 0 HB VAL A 36 3.139 7.441 3.946 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.503 5.856 4.928 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.605 5.022 3.807 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.840 4.870 5.565 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.318 7.821 6.249 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.653 6.834 6.890 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.999 8.375 6.071 1.00 0.00 H new ATOM 475 N LYS A 37 4.731 6.194 2.095 1.00 0.00 N ATOM 476 CA LYS A 37 4.819 5.492 0.784 1.00 0.00 C ATOM 477 C LYS A 37 6.070 4.605 0.737 1.00 0.00 C ATOM 478 O LYS A 37 5.977 3.440 0.409 1.00 0.00 O ATOM 479 CB LYS A 37 4.884 6.596 -0.275 1.00 0.00 C ATOM 480 CG LYS A 37 4.719 5.978 -1.667 1.00 0.00 C ATOM 481 CD LYS A 37 5.433 6.847 -2.705 1.00 0.00 C ATOM 482 CE LYS A 37 5.298 6.201 -4.088 1.00 0.00 C ATOM 483 NZ LYS A 37 6.233 6.958 -4.969 1.00 0.00 N ATOM 0 H LYS A 37 4.460 7.176 2.045 1.00 0.00 H new ATOM 0 HA LYS A 37 3.965 4.836 0.615 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.100 7.332 -0.097 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.836 7.122 -0.209 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.131 4.969 -1.678 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.661 5.894 -1.915 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.002 7.848 -2.715 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.485 6.955 -2.443 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.558 5.143 -4.055 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.273 6.266 -4.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.193 6.570 -5.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.957 7.961 -4.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.202 6.873 -4.601 1.00 0.00 H new ATOM 497 N PRO A 38 7.206 5.170 1.086 1.00 0.00 N ATOM 498 CA PRO A 38 8.462 4.377 1.088 1.00 0.00 C ATOM 499 C PRO A 38 8.378 3.324 2.187 1.00 0.00 C ATOM 500 O PRO A 38 8.918 2.240 2.084 1.00 0.00 O ATOM 501 CB PRO A 38 9.543 5.415 1.387 1.00 0.00 C ATOM 502 CG PRO A 38 8.826 6.520 2.091 1.00 0.00 C ATOM 503 CD PRO A 38 7.439 6.559 1.512 1.00 0.00 C ATOM 0 HA PRO A 38 8.659 3.846 0.157 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.333 4.996 2.010 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.015 5.770 0.471 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.794 6.340 3.166 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.336 7.472 1.942 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.705 6.881 2.250 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.373 7.252 0.674 1.00 0.00 H new ATOM 511 N VAL A 39 7.680 3.649 3.230 1.00 0.00 N ATOM 512 CA VAL A 39 7.507 2.703 4.363 1.00 0.00 C ATOM 513 C VAL A 39 6.488 1.626 3.979 1.00 0.00 C ATOM 514 O VAL A 39 6.328 0.633 4.658 1.00 0.00 O ATOM 515 CB VAL A 39 6.972 3.589 5.486 1.00 0.00 C ATOM 516 CG1 VAL A 39 6.168 2.758 6.485 1.00 0.00 C ATOM 517 CG2 VAL A 39 8.134 4.275 6.200 1.00 0.00 C ATOM 0 H VAL A 39 7.212 4.547 3.350 1.00 0.00 H new ATOM 0 HA VAL A 39 8.421 2.181 4.645 1.00 0.00 H new ATOM 0 HB VAL A 39 6.316 4.345 5.053 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.794 3.405 7.279 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.328 2.288 5.974 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.808 1.988 6.916 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.748 4.906 7.000 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.798 3.521 6.621 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.687 4.889 5.489 1.00 0.00 H new ATOM 527 N LEU A 40 5.812 1.811 2.888 1.00 0.00 N ATOM 528 CA LEU A 40 4.832 0.786 2.448 1.00 0.00 C ATOM 529 C LEU A 40 5.491 -0.077 1.371 1.00 0.00 C ATOM 530 O LEU A 40 5.032 -1.153 1.047 1.00 0.00 O ATOM 531 CB LEU A 40 3.647 1.568 1.880 1.00 0.00 C ATOM 532 CG LEU A 40 2.948 2.334 3.007 1.00 0.00 C ATOM 533 CD1 LEU A 40 1.861 3.232 2.415 1.00 0.00 C ATOM 534 CD2 LEU A 40 2.307 1.345 3.984 1.00 0.00 C ATOM 0 H LEU A 40 5.894 2.626 2.281 1.00 0.00 H new ATOM 0 HA LEU A 40 4.506 0.128 3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.991 2.263 1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.945 0.886 1.400 1.00 0.00 H new ATOM 0 HG LEU A 40 3.681 2.943 3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.363 3.777 3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.313 3.940 1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.131 2.619 1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.811 1.894 4.784 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.575 0.734 3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.078 0.702 4.409 1.00 0.00 H new ATOM 546 N LEU A 41 6.588 0.389 0.830 1.00 0.00 N ATOM 547 CA LEU A 41 7.302 -0.395 -0.211 1.00 0.00 C ATOM 548 C LEU A 41 8.228 -1.404 0.455 1.00 0.00 C ATOM 549 O LEU A 41 8.445 -2.488 -0.049 1.00 0.00 O ATOM 550 CB LEU A 41 8.124 0.629 -0.990 1.00 0.00 C ATOM 551 CG LEU A 41 7.192 1.567 -1.748 1.00 0.00 C ATOM 552 CD1 LEU A 41 7.832 2.951 -1.819 1.00 0.00 C ATOM 553 CD2 LEU A 41 6.975 1.025 -3.160 1.00 0.00 C ATOM 0 H LEU A 41 7.018 1.283 1.068 1.00 0.00 H new ATOM 0 HA LEU A 41 6.617 -0.946 -0.856 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.753 1.200 -0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.790 0.121 -1.687 1.00 0.00 H new ATOM 0 HG LEU A 41 6.232 1.636 -1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.172 3.630 -2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.993 3.329 -0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.788 2.884 -2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.309 1.692 -3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.932 0.964 -3.677 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.529 0.032 -3.104 1.00 0.00 H new ATOM 565 N ASN A 42 8.780 -1.060 1.588 1.00 0.00 N ATOM 566 CA ASN A 42 9.690 -2.018 2.268 1.00 0.00 C ATOM 567 C ASN A 42 8.880 -3.191 2.840 1.00 0.00 C ATOM 568 O ASN A 42 9.426 -4.129 3.385 1.00 0.00 O ATOM 569 CB ASN A 42 10.368 -1.213 3.379 1.00 0.00 C ATOM 570 CG ASN A 42 9.375 -0.959 4.502 1.00 0.00 C ATOM 571 OD1 ASN A 42 8.614 0.088 4.433 1.00 0.00 O flip ATOM 572 ND2 ASN A 42 9.292 -1.719 5.446 1.00 0.00 N flip ATOM 0 H ASN A 42 8.641 -0.169 2.064 1.00 0.00 H new ATOM 0 HA ASN A 42 10.427 -2.449 1.590 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.233 -1.756 3.760 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.736 -0.266 2.984 1.00 0.00 H new ATOM 0 HD21 ASN A 42 9.894 -2.541 5.493 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.620 -1.535 6.191 1.00 0.00 H new ATOM 579 N SER A 43 7.578 -3.145 2.707 1.00 0.00 N ATOM 580 CA SER A 43 6.720 -4.253 3.225 1.00 0.00 C ATOM 581 C SER A 43 6.719 -5.423 2.235 1.00 0.00 C ATOM 582 O SER A 43 6.004 -6.391 2.403 1.00 0.00 O ATOM 583 CB SER A 43 5.324 -3.641 3.332 1.00 0.00 C ATOM 584 OG SER A 43 5.412 -2.390 4.001 1.00 0.00 O ATOM 0 H SER A 43 7.070 -2.382 2.259 1.00 0.00 H new ATOM 0 HA SER A 43 7.072 -4.645 4.179 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.896 -3.506 2.339 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.660 -4.312 3.877 1.00 0.00 H new ATOM 0 HG SER A 43 5.626 -2.539 4.946 1.00 0.00 H new ATOM 590 N LYS A 44 7.511 -5.337 1.201 1.00 0.00 N ATOM 591 CA LYS A 44 7.555 -6.438 0.194 1.00 0.00 C ATOM 592 C LYS A 44 6.211 -6.544 -0.531 1.00 0.00 C ATOM 593 O LYS A 44 5.944 -7.502 -1.229 1.00 0.00 O ATOM 594 CB LYS A 44 7.840 -7.710 0.995 1.00 0.00 C ATOM 595 CG LYS A 44 8.742 -8.635 0.174 1.00 0.00 C ATOM 596 CD LYS A 44 8.756 -10.029 0.803 1.00 0.00 C ATOM 597 CE LYS A 44 9.497 -10.995 -0.124 1.00 0.00 C ATOM 598 NZ LYS A 44 9.589 -12.270 0.644 1.00 0.00 N ATOM 0 H LYS A 44 8.131 -4.550 1.009 1.00 0.00 H new ATOM 0 HA LYS A 44 8.314 -6.266 -0.569 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.322 -7.458 1.940 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.906 -8.217 1.239 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.382 -8.692 -0.853 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.754 -8.232 0.135 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.244 -9.996 1.777 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.736 -10.376 0.969 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.957 -11.136 -1.060 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.486 -10.616 -0.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.086 -12.984 0.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.114 -12.106 1.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.632 -12.610 0.868 1.00 0.00 H new ATOM 612 N LEU A 45 5.365 -5.563 -0.375 1.00 0.00 N ATOM 613 CA LEU A 45 4.041 -5.601 -1.061 1.00 0.00 C ATOM 614 C LEU A 45 4.079 -4.738 -2.319 1.00 0.00 C ATOM 615 O LEU A 45 4.875 -3.825 -2.422 1.00 0.00 O ATOM 616 CB LEU A 45 3.055 -5.019 -0.051 1.00 0.00 C ATOM 617 CG LEU A 45 2.561 -6.125 0.878 1.00 0.00 C ATOM 618 CD1 LEU A 45 1.655 -5.513 1.945 1.00 0.00 C ATOM 619 CD2 LEU A 45 1.769 -7.158 0.068 1.00 0.00 C ATOM 0 H LEU A 45 5.533 -4.736 0.198 1.00 0.00 H new ATOM 0 HA LEU A 45 3.764 -6.609 -1.369 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.535 -4.231 0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.212 -4.564 -0.571 1.00 0.00 H new ATOM 0 HG LEU A 45 3.412 -6.614 1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.298 -6.297 2.613 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.216 -4.775 2.519 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.804 -5.029 1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.416 -7.948 0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.915 -6.673 -0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.412 -7.589 -0.700 1.00 0.00 H new ATOM 631 N PRO A 46 3.206 -5.050 -3.236 1.00 0.00 N ATOM 632 CA PRO A 46 3.137 -4.286 -4.495 1.00 0.00 C ATOM 633 C PRO A 46 2.518 -2.909 -4.243 1.00 0.00 C ATOM 634 O PRO A 46 1.891 -2.675 -3.229 1.00 0.00 O ATOM 635 CB PRO A 46 2.252 -5.145 -5.393 1.00 0.00 C ATOM 636 CG PRO A 46 1.427 -5.973 -4.465 1.00 0.00 C ATOM 637 CD PRO A 46 2.213 -6.129 -3.185 1.00 0.00 C ATOM 0 HA PRO A 46 4.113 -4.097 -4.942 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.622 -4.526 -6.031 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.853 -5.773 -6.051 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.468 -5.493 -4.271 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.213 -6.947 -4.906 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.570 -6.037 -2.310 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.691 -7.107 -3.128 1.00 0.00 H new ATOM 645 N VAL A 47 2.703 -1.996 -5.153 1.00 0.00 N ATOM 646 CA VAL A 47 2.144 -0.625 -4.972 1.00 0.00 C ATOM 647 C VAL A 47 0.615 -0.664 -4.937 1.00 0.00 C ATOM 648 O VAL A 47 -0.030 0.324 -4.637 1.00 0.00 O ATOM 649 CB VAL A 47 2.639 0.166 -6.185 1.00 0.00 C ATOM 650 CG1 VAL A 47 1.794 1.430 -6.358 1.00 0.00 C ATOM 651 CG2 VAL A 47 4.101 0.561 -5.967 1.00 0.00 C ATOM 0 H VAL A 47 3.220 -2.140 -6.020 1.00 0.00 H new ATOM 0 HA VAL A 47 2.462 -0.174 -4.032 1.00 0.00 H new ATOM 0 HB VAL A 47 2.552 -0.451 -7.079 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.150 1.990 -7.223 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.751 1.152 -6.510 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.878 2.049 -5.465 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.458 1.125 -6.829 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.182 1.177 -5.072 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.706 -0.337 -5.845 1.00 0.00 H new ATOM 661 N ASP A 48 0.025 -1.793 -5.219 1.00 0.00 N ATOM 662 CA ASP A 48 -1.454 -1.876 -5.173 1.00 0.00 C ATOM 663 C ASP A 48 -1.880 -1.942 -3.715 1.00 0.00 C ATOM 664 O ASP A 48 -2.830 -1.308 -3.300 1.00 0.00 O ATOM 665 CB ASP A 48 -1.808 -3.162 -5.899 1.00 0.00 C ATOM 666 CG ASP A 48 -2.161 -2.850 -7.356 1.00 0.00 C ATOM 667 OD1 ASP A 48 -1.495 -2.011 -7.940 1.00 0.00 O ATOM 668 OD2 ASP A 48 -3.092 -3.454 -7.863 1.00 0.00 O ATOM 0 H ASP A 48 0.504 -2.656 -5.478 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.950 -1.022 -5.634 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.969 -3.857 -5.858 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.650 -3.649 -5.407 1.00 0.00 H new ATOM 673 N ILE A 49 -1.154 -2.684 -2.929 1.00 0.00 N ATOM 674 CA ILE A 49 -1.487 -2.763 -1.486 1.00 0.00 C ATOM 675 C ILE A 49 -1.260 -1.388 -0.879 1.00 0.00 C ATOM 676 O ILE A 49 -2.051 -0.882 -0.110 1.00 0.00 O ATOM 677 CB ILE A 49 -0.503 -3.761 -0.882 1.00 0.00 C ATOM 678 CG1 ILE A 49 -0.443 -5.025 -1.737 1.00 0.00 C ATOM 679 CG2 ILE A 49 -0.948 -4.117 0.534 1.00 0.00 C ATOM 680 CD1 ILE A 49 -1.855 -5.475 -2.108 1.00 0.00 C ATOM 0 H ILE A 49 -0.348 -3.236 -3.224 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.517 -3.070 -1.306 1.00 0.00 H new ATOM 0 HB ILE A 49 0.489 -3.311 -0.851 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.136 -4.835 -2.641 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.069 -5.818 -1.192 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.247 -4.830 0.967 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.973 -3.215 1.145 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.943 -4.561 0.502 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.801 -6.377 -2.718 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.421 -5.684 -1.200 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.352 -4.685 -2.671 1.00 0.00 H new ATOM 692 N LEU A 50 -0.171 -0.784 -1.248 1.00 0.00 N ATOM 693 CA LEU A 50 0.152 0.572 -0.735 1.00 0.00 C ATOM 694 C LEU A 50 -0.876 1.571 -1.264 1.00 0.00 C ATOM 695 O LEU A 50 -1.078 2.628 -0.701 1.00 0.00 O ATOM 696 CB LEU A 50 1.550 0.875 -1.287 1.00 0.00 C ATOM 697 CG LEU A 50 2.454 -0.362 -1.148 1.00 0.00 C ATOM 698 CD1 LEU A 50 3.919 0.075 -1.157 1.00 0.00 C ATOM 699 CD2 LEU A 50 2.148 -1.095 0.164 1.00 0.00 C ATOM 0 H LEU A 50 0.518 -1.176 -1.891 1.00 0.00 H new ATOM 0 HA LEU A 50 0.130 0.636 0.353 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.480 1.168 -2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.987 1.716 -0.749 1.00 0.00 H new ATOM 0 HG LEU A 50 2.266 -1.036 -1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.561 -0.801 -1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.141 0.584 -2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.101 0.754 -0.324 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.794 -1.969 0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.327 -0.425 1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.105 -1.412 0.169 1.00 0.00 H new ATOM 711 N GLY A 51 -1.541 1.233 -2.338 1.00 0.00 N ATOM 712 CA GLY A 51 -2.570 2.157 -2.891 1.00 0.00 C ATOM 713 C GLY A 51 -3.909 1.853 -2.224 1.00 0.00 C ATOM 714 O GLY A 51 -4.757 2.713 -2.077 1.00 0.00 O ATOM 0 H GLY A 51 -1.416 0.361 -2.853 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.284 3.193 -2.710 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.649 2.032 -3.971 1.00 0.00 H new ATOM 718 N ARG A 52 -4.097 0.632 -1.807 1.00 0.00 N ATOM 719 CA ARG A 52 -5.373 0.260 -1.138 1.00 0.00 C ATOM 720 C ARG A 52 -5.204 0.354 0.375 1.00 0.00 C ATOM 721 O ARG A 52 -6.020 0.932 1.065 1.00 0.00 O ATOM 722 CB ARG A 52 -5.633 -1.183 -1.563 1.00 0.00 C ATOM 723 CG ARG A 52 -7.060 -1.311 -2.095 1.00 0.00 C ATOM 724 CD ARG A 52 -7.506 -2.770 -2.006 1.00 0.00 C ATOM 725 NE ARG A 52 -6.904 -3.429 -3.199 1.00 0.00 N ATOM 726 CZ ARG A 52 -6.771 -4.726 -3.231 1.00 0.00 C ATOM 727 NH1 ARG A 52 -7.829 -5.490 -3.291 1.00 0.00 N ATOM 728 NH2 ARG A 52 -5.582 -5.262 -3.208 1.00 0.00 N ATOM 0 H ARG A 52 -3.420 -0.125 -1.901 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.199 0.916 -1.411 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.920 -1.481 -2.331 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.488 -1.854 -0.716 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.733 -0.678 -1.518 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.107 -0.967 -3.128 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.160 -3.233 -1.082 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.593 -2.852 -2.016 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.596 -2.865 -3.991 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.759 -5.072 -3.313 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.725 -6.504 -3.316 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.755 -4.667 -3.165 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.479 -6.277 -3.233 1.00 0.00 H new ATOM 742 N VAL A 53 -4.145 -0.198 0.898 1.00 0.00 N ATOM 743 CA VAL A 53 -3.926 -0.121 2.365 1.00 0.00 C ATOM 744 C VAL A 53 -3.898 1.347 2.793 1.00 0.00 C ATOM 745 O VAL A 53 -4.421 1.710 3.825 1.00 0.00 O ATOM 746 CB VAL A 53 -2.570 -0.784 2.616 1.00 0.00 C ATOM 747 CG1 VAL A 53 -2.117 -0.490 4.047 1.00 0.00 C ATOM 748 CG2 VAL A 53 -2.700 -2.298 2.428 1.00 0.00 C ATOM 0 H VAL A 53 -3.426 -0.697 0.374 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.715 -0.616 2.932 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.837 -0.390 1.912 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.151 -0.962 4.227 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.026 0.587 4.186 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.851 -0.886 4.749 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.734 -2.771 2.607 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.432 -2.691 3.133 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.026 -2.512 1.410 1.00 0.00 H new ATOM 758 N TRP A 54 -3.296 2.195 1.995 1.00 0.00 N ATOM 759 CA TRP A 54 -3.242 3.645 2.346 1.00 0.00 C ATOM 760 C TRP A 54 -4.636 4.261 2.255 1.00 0.00 C ATOM 761 O TRP A 54 -5.113 4.882 3.184 1.00 0.00 O ATOM 762 CB TRP A 54 -2.318 4.289 1.310 1.00 0.00 C ATOM 763 CG TRP A 54 -2.488 5.776 1.364 1.00 0.00 C ATOM 764 CD1 TRP A 54 -3.531 6.457 0.831 1.00 0.00 C ATOM 765 CD2 TRP A 54 -1.624 6.770 1.983 1.00 0.00 C ATOM 766 NE1 TRP A 54 -3.360 7.806 1.084 1.00 0.00 N ATOM 767 CE2 TRP A 54 -2.196 8.051 1.788 1.00 0.00 C ATOM 768 CE3 TRP A 54 -0.409 6.688 2.685 1.00 0.00 C ATOM 769 CZ2 TRP A 54 -1.585 9.207 2.273 1.00 0.00 C ATOM 770 CZ3 TRP A 54 0.209 7.851 3.174 1.00 0.00 C ATOM 771 CH2 TRP A 54 -0.378 9.107 2.969 1.00 0.00 C ATOM 0 H TRP A 54 -2.841 1.944 1.117 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.881 3.799 3.363 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.281 4.021 1.512 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.555 3.919 0.312 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.360 6.018 0.296 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.013 8.531 0.787 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.052 5.725 2.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.042 10.172 2.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.143 7.777 3.712 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.102 9.997 3.349 1.00 0.00 H new ATOM 782 N GLU A 55 -5.291 4.098 1.140 1.00 0.00 N ATOM 783 CA GLU A 55 -6.653 4.682 0.991 1.00 0.00 C ATOM 784 C GLU A 55 -7.498 4.349 2.217 1.00 0.00 C ATOM 785 O GLU A 55 -8.106 5.212 2.819 1.00 0.00 O ATOM 786 CB GLU A 55 -7.239 4.033 -0.259 1.00 0.00 C ATOM 787 CG GLU A 55 -6.759 4.787 -1.500 1.00 0.00 C ATOM 788 CD GLU A 55 -7.830 5.792 -1.930 1.00 0.00 C ATOM 789 OE1 GLU A 55 -8.978 5.597 -1.566 1.00 0.00 O ATOM 790 OE2 GLU A 55 -7.483 6.740 -2.616 1.00 0.00 O ATOM 0 H GLU A 55 -4.944 3.588 0.328 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.628 5.768 0.903 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.935 2.988 -0.315 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.328 4.046 -0.212 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.824 5.305 -1.286 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.557 4.086 -2.310 1.00 0.00 H new ATOM 797 N LEU A 56 -7.531 3.105 2.599 1.00 0.00 N ATOM 798 CA LEU A 56 -8.329 2.722 3.797 1.00 0.00 C ATOM 799 C LEU A 56 -7.579 3.135 5.071 1.00 0.00 C ATOM 800 O LEU A 56 -8.104 3.069 6.165 1.00 0.00 O ATOM 801 CB LEU A 56 -8.477 1.198 3.720 1.00 0.00 C ATOM 802 CG LEU A 56 -9.101 0.797 2.377 1.00 0.00 C ATOM 803 CD1 LEU A 56 -8.459 -0.504 1.891 1.00 0.00 C ATOM 804 CD2 LEU A 56 -10.611 0.584 2.554 1.00 0.00 C ATOM 0 H LEU A 56 -7.042 2.338 2.136 1.00 0.00 H new ATOM 0 HA LEU A 56 -9.302 3.213 3.823 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.502 0.724 3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.101 0.843 4.540 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.930 1.587 1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.900 -0.793 0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.386 -0.356 1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.633 -1.292 2.624 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -11.053 0.299 1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.784 -0.207 3.284 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.070 1.508 2.905 1.00 0.00 H new ATOM 816 N SER A 57 -6.355 3.567 4.927 1.00 0.00 N ATOM 817 CA SER A 57 -5.553 3.995 6.111 1.00 0.00 C ATOM 818 C SER A 57 -5.562 5.519 6.239 1.00 0.00 C ATOM 819 O SER A 57 -5.428 6.063 7.316 1.00 0.00 O ATOM 820 CB SER A 57 -4.141 3.515 5.818 1.00 0.00 C ATOM 821 OG SER A 57 -3.217 4.396 6.439 1.00 0.00 O ATOM 0 H SER A 57 -5.872 3.643 4.032 1.00 0.00 H new ATOM 0 HA SER A 57 -5.951 3.589 7.041 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.003 2.500 6.191 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.969 3.485 4.742 1.00 0.00 H new ATOM 0 HG SER A 57 -3.286 4.309 7.413 1.00 0.00 H new ATOM 827 N ASP A 58 -5.717 6.209 5.145 1.00 0.00 N ATOM 828 CA ASP A 58 -5.732 7.694 5.198 1.00 0.00 C ATOM 829 C ASP A 58 -7.130 8.172 5.556 1.00 0.00 C ATOM 830 O ASP A 58 -7.964 8.390 4.701 1.00 0.00 O ATOM 831 CB ASP A 58 -5.346 8.153 3.793 1.00 0.00 C ATOM 832 CG ASP A 58 -4.646 9.513 3.878 1.00 0.00 C ATOM 833 OD1 ASP A 58 -4.684 10.110 4.942 1.00 0.00 O ATOM 834 OD2 ASP A 58 -4.082 9.930 2.882 1.00 0.00 O ATOM 0 H ASP A 58 -5.834 5.807 4.215 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.049 8.094 5.947 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.687 7.421 3.327 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.234 8.227 3.166 1.00 0.00 H new ATOM 839 N ILE A 59 -7.397 8.320 6.816 1.00 0.00 N ATOM 840 CA ILE A 59 -8.746 8.763 7.240 1.00 0.00 C ATOM 841 C ILE A 59 -9.138 10.057 6.520 1.00 0.00 C ATOM 842 O ILE A 59 -10.294 10.292 6.234 1.00 0.00 O ATOM 843 CB ILE A 59 -8.625 8.995 8.742 1.00 0.00 C ATOM 844 CG1 ILE A 59 -8.275 7.673 9.433 1.00 0.00 C ATOM 845 CG2 ILE A 59 -9.951 9.524 9.281 1.00 0.00 C ATOM 846 CD1 ILE A 59 -9.390 6.651 9.197 1.00 0.00 C ATOM 0 H ILE A 59 -6.736 8.153 7.575 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.516 8.030 7.000 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.839 9.724 8.939 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.331 7.290 9.047 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.139 7.836 10.502 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -9.867 9.691 10.355 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -10.196 10.464 8.786 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -10.739 8.796 9.088 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -9.135 5.713 9.691 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -10.326 7.033 9.605 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -9.504 6.478 8.127 1.00 0.00 H new ATOM 858 N ASP A 60 -8.185 10.900 6.229 1.00 0.00 N ATOM 859 CA ASP A 60 -8.520 12.178 5.530 1.00 0.00 C ATOM 860 C ASP A 60 -8.076 12.135 4.061 1.00 0.00 C ATOM 861 O ASP A 60 -8.472 12.962 3.264 1.00 0.00 O ATOM 862 CB ASP A 60 -7.761 13.261 6.298 1.00 0.00 C ATOM 863 CG ASP A 60 -6.268 13.177 5.974 1.00 0.00 C ATOM 864 OD1 ASP A 60 -5.862 12.192 5.381 1.00 0.00 O ATOM 865 OD2 ASP A 60 -5.556 14.103 6.326 1.00 0.00 O ATOM 0 H ASP A 60 -7.197 10.763 6.442 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.594 12.364 5.516 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.145 14.246 6.032 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.917 13.137 7.370 1.00 0.00 H new ATOM 870 N HIS A 61 -7.261 11.182 3.695 1.00 0.00 N ATOM 871 CA HIS A 61 -6.801 11.094 2.277 1.00 0.00 C ATOM 872 C HIS A 61 -6.133 12.403 1.852 1.00 0.00 C ATOM 873 O HIS A 61 -6.364 12.906 0.770 1.00 0.00 O ATOM 874 CB HIS A 61 -8.070 10.853 1.461 1.00 0.00 C ATOM 875 CG HIS A 61 -8.510 9.424 1.618 1.00 0.00 C ATOM 876 ND1 HIS A 61 -9.383 8.823 2.491 1.00 0.00 N flip ATOM 877 CD2 HIS A 61 -8.035 8.411 0.800 1.00 0.00 C flip ATOM 878 CE1 HIS A 61 -9.451 7.460 2.221 1.00 0.00 C flip ATOM 879 NE2 HIS A 61 -8.620 7.265 1.192 1.00 0.00 N flip ATOM 0 H HIS A 61 -6.894 10.461 4.316 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.066 10.302 2.133 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -8.861 11.526 1.793 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -7.885 11.073 0.410 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -9.903 9.303 3.226 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -7.324 8.522 -0.006 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -10.047 6.719 2.733 1.00 0.00 H new ATOM 887 N ASP A 62 -5.303 12.957 2.691 1.00 0.00 N ATOM 888 CA ASP A 62 -4.621 14.232 2.329 1.00 0.00 C ATOM 889 C ASP A 62 -3.161 13.955 1.952 1.00 0.00 C ATOM 890 O ASP A 62 -2.328 14.840 1.956 1.00 0.00 O ATOM 891 CB ASP A 62 -4.719 15.098 3.592 1.00 0.00 C ATOM 892 CG ASP A 62 -3.590 14.745 4.567 1.00 0.00 C ATOM 893 OD1 ASP A 62 -3.624 13.653 5.111 1.00 0.00 O ATOM 894 OD2 ASP A 62 -2.711 15.572 4.749 1.00 0.00 O ATOM 0 H ASP A 62 -5.067 12.583 3.610 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.073 14.727 1.469 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.661 16.153 3.324 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.685 14.944 4.073 1.00 0.00 H new ATOM 899 N GLY A 63 -2.844 12.726 1.640 1.00 0.00 N ATOM 900 CA GLY A 63 -1.439 12.388 1.280 1.00 0.00 C ATOM 901 C GLY A 63 -0.639 12.178 2.566 1.00 0.00 C ATOM 902 O GLY A 63 0.573 12.091 2.551 1.00 0.00 O ATOM 0 H GLY A 63 -3.498 11.943 1.619 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.413 11.487 0.667 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.998 13.189 0.687 1.00 0.00 H new ATOM 906 N MET A 64 -1.315 12.113 3.682 1.00 0.00 N ATOM 907 CA MET A 64 -0.610 11.927 4.977 1.00 0.00 C ATOM 908 C MET A 64 -1.373 10.952 5.880 1.00 0.00 C ATOM 909 O MET A 64 -2.542 10.686 5.678 1.00 0.00 O ATOM 910 CB MET A 64 -0.588 13.318 5.600 1.00 0.00 C ATOM 911 CG MET A 64 0.785 13.938 5.389 1.00 0.00 C ATOM 912 SD MET A 64 0.819 15.608 6.087 1.00 0.00 S ATOM 913 CE MET A 64 2.612 15.715 6.306 1.00 0.00 C ATOM 0 H MET A 64 -2.330 12.181 3.749 1.00 0.00 H new ATOM 0 HA MET A 64 0.388 11.509 4.845 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.357 13.945 5.148 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.813 13.256 6.665 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.549 13.321 5.862 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.018 13.974 4.325 1.00 0.00 H new ATOM 0 HE1 MET A 64 2.835 16.272 7.216 1.00 0.00 H new ATOM 0 HE2 MET A 64 3.030 14.711 6.383 1.00 0.00 H new ATOM 0 HE3 MET A 64 3.053 16.227 5.451 1.00 0.00 H new ATOM 923 N LEU A 65 -0.715 10.414 6.873 1.00 0.00 N ATOM 924 CA LEU A 65 -1.392 9.454 7.796 1.00 0.00 C ATOM 925 C LEU A 65 -1.132 9.844 9.258 1.00 0.00 C ATOM 926 O LEU A 65 -0.002 9.867 9.706 1.00 0.00 O ATOM 927 CB LEU A 65 -0.729 8.104 7.514 1.00 0.00 C ATOM 928 CG LEU A 65 -1.201 7.548 6.173 1.00 0.00 C ATOM 929 CD1 LEU A 65 -0.391 6.291 5.841 1.00 0.00 C ATOM 930 CD2 LEU A 65 -2.685 7.187 6.270 1.00 0.00 C ATOM 0 H LEU A 65 0.265 10.598 7.086 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.471 9.439 7.643 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.355 8.219 7.506 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.969 7.400 8.311 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.059 8.294 5.391 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.722 5.887 4.884 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.667 6.545 5.781 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.541 5.545 6.621 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.026 6.789 5.314 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.827 6.436 7.047 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.261 8.079 6.518 1.00 0.00 H new ATOM 942 N ASP A 66 -2.158 10.132 10.012 1.00 0.00 N ATOM 943 CA ASP A 66 -1.943 10.494 11.444 1.00 0.00 C ATOM 944 C ASP A 66 -1.729 9.219 12.267 1.00 0.00 C ATOM 945 O ASP A 66 -1.971 8.122 11.806 1.00 0.00 O ATOM 946 CB ASP A 66 -3.210 11.262 11.865 1.00 0.00 C ATOM 947 CG ASP A 66 -3.780 10.729 13.184 1.00 0.00 C ATOM 948 OD1 ASP A 66 -4.388 9.672 13.159 1.00 0.00 O ATOM 949 OD2 ASP A 66 -3.598 11.388 14.194 1.00 0.00 O ATOM 0 H ASP A 66 -3.130 10.133 9.702 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.058 11.110 11.603 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.976 12.321 11.971 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.964 11.179 11.082 1.00 0.00 H new ATOM 954 N ARG A 67 -1.265 9.361 13.475 1.00 0.00 N ATOM 955 CA ARG A 67 -1.018 8.162 14.332 1.00 0.00 C ATOM 956 C ARG A 67 -2.168 7.157 14.226 1.00 0.00 C ATOM 957 O ARG A 67 -1.973 5.965 14.362 1.00 0.00 O ATOM 958 CB ARG A 67 -0.925 8.702 15.758 1.00 0.00 C ATOM 959 CG ARG A 67 -2.019 9.746 15.984 1.00 0.00 C ATOM 960 CD ARG A 67 -2.524 9.651 17.426 1.00 0.00 C ATOM 961 NE ARG A 67 -1.691 10.621 18.190 1.00 0.00 N ATOM 962 CZ ARG A 67 -1.919 10.818 19.460 1.00 0.00 C ATOM 963 NH1 ARG A 67 -2.913 11.575 19.832 1.00 0.00 N ATOM 964 NH2 ARG A 67 -1.155 10.257 20.354 1.00 0.00 N ATOM 0 H ARG A 67 -1.044 10.257 13.910 1.00 0.00 H new ATOM 0 HA ARG A 67 -0.115 7.635 14.025 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.033 7.887 16.474 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.056 9.146 15.926 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -1.629 10.745 15.789 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.842 9.583 15.288 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.583 9.903 17.491 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -2.412 8.640 17.818 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.943 11.131 17.721 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.511 12.012 19.131 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.093 11.730 20.824 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.379 9.664 20.061 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -1.333 10.411 21.346 1.00 0.00 H new ATOM 978 N ASP A 68 -3.360 7.621 13.992 1.00 0.00 N ATOM 979 CA ASP A 68 -4.512 6.683 13.885 1.00 0.00 C ATOM 980 C ASP A 68 -4.682 6.238 12.436 1.00 0.00 C ATOM 981 O ASP A 68 -5.107 5.134 12.159 1.00 0.00 O ATOM 982 CB ASP A 68 -5.727 7.485 14.350 1.00 0.00 C ATOM 983 CG ASP A 68 -5.473 8.025 15.759 1.00 0.00 C ATOM 984 OD1 ASP A 68 -5.101 7.238 16.616 1.00 0.00 O ATOM 985 OD2 ASP A 68 -5.655 9.215 15.958 1.00 0.00 O ATOM 0 H ASP A 68 -3.589 8.608 13.870 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.373 5.783 14.484 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.917 8.309 13.662 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.616 6.854 14.346 1.00 0.00 H new ATOM 990 N GLU A 69 -4.341 7.086 11.509 1.00 0.00 N ATOM 991 CA GLU A 69 -4.470 6.707 10.076 1.00 0.00 C ATOM 992 C GLU A 69 -3.323 5.780 9.693 1.00 0.00 C ATOM 993 O GLU A 69 -3.493 4.836 8.947 1.00 0.00 O ATOM 994 CB GLU A 69 -4.362 8.015 9.303 1.00 0.00 C ATOM 995 CG GLU A 69 -5.216 9.086 9.982 1.00 0.00 C ATOM 996 CD GLU A 69 -5.474 10.228 8.999 1.00 0.00 C ATOM 997 OE1 GLU A 69 -5.866 9.941 7.880 1.00 0.00 O ATOM 998 OE2 GLU A 69 -5.276 11.371 9.380 1.00 0.00 O ATOM 0 H GLU A 69 -3.979 8.024 11.681 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.405 6.188 9.866 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.322 8.339 9.260 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.693 7.870 8.275 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.161 8.657 10.314 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.708 9.463 10.870 1.00 0.00 H new ATOM 1005 N PHE A 70 -2.154 6.045 10.204 1.00 0.00 N ATOM 1006 CA PHE A 70 -0.993 5.181 9.877 1.00 0.00 C ATOM 1007 C PHE A 70 -1.155 3.824 10.554 1.00 0.00 C ATOM 1008 O PHE A 70 -0.618 2.829 10.112 1.00 0.00 O ATOM 1009 CB PHE A 70 0.224 5.919 10.432 1.00 0.00 C ATOM 1010 CG PHE A 70 1.475 5.234 9.948 1.00 0.00 C ATOM 1011 CD1 PHE A 70 1.978 5.516 8.673 1.00 0.00 C ATOM 1012 CD2 PHE A 70 2.127 4.308 10.770 1.00 0.00 C ATOM 1013 CE1 PHE A 70 3.135 4.875 8.221 1.00 0.00 C ATOM 1014 CE2 PHE A 70 3.283 3.665 10.318 1.00 0.00 C ATOM 1015 CZ PHE A 70 3.787 3.949 9.042 1.00 0.00 C ATOM 0 H PHE A 70 -1.955 6.823 10.833 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.897 4.998 8.807 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.214 6.959 10.107 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.196 5.926 11.522 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.472 6.229 8.038 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.737 4.090 11.753 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.525 5.095 7.238 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.787 2.950 10.952 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.680 3.452 8.692 1.00 0.00 H new ATOM 1025 N ALA A 71 -1.903 3.776 11.622 1.00 0.00 N ATOM 1026 CA ALA A 71 -2.108 2.478 12.324 1.00 0.00 C ATOM 1027 C ALA A 71 -2.962 1.555 11.454 1.00 0.00 C ATOM 1028 O ALA A 71 -2.707 0.371 11.341 1.00 0.00 O ATOM 1029 CB ALA A 71 -2.847 2.833 13.613 1.00 0.00 C ATOM 0 H ALA A 71 -2.379 4.576 12.038 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.171 1.960 12.527 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.035 1.925 14.187 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.238 3.517 14.205 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.796 3.311 13.369 1.00 0.00 H new ATOM 1035 N VAL A 72 -3.970 2.099 10.834 1.00 0.00 N ATOM 1036 CA VAL A 72 -4.851 1.273 9.961 1.00 0.00 C ATOM 1037 C VAL A 72 -4.044 0.707 8.784 1.00 0.00 C ATOM 1038 O VAL A 72 -4.341 -0.354 8.268 1.00 0.00 O ATOM 1039 CB VAL A 72 -5.929 2.243 9.465 1.00 0.00 C ATOM 1040 CG1 VAL A 72 -6.917 1.496 8.567 1.00 0.00 C ATOM 1041 CG2 VAL A 72 -6.681 2.840 10.663 1.00 0.00 C ATOM 0 H VAL A 72 -4.224 3.085 10.894 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.282 0.421 10.486 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.456 3.045 8.899 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.683 2.187 8.215 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.386 1.077 7.712 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.387 0.691 9.133 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.446 3.529 10.306 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.152 2.039 11.233 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.980 3.377 11.302 1.00 0.00 H new ATOM 1051 N ALA A 73 -3.027 1.406 8.355 1.00 0.00 N ATOM 1052 CA ALA A 73 -2.207 0.906 7.211 1.00 0.00 C ATOM 1053 C ALA A 73 -1.043 0.042 7.709 1.00 0.00 C ATOM 1054 O ALA A 73 -0.304 -0.524 6.927 1.00 0.00 O ATOM 1055 CB ALA A 73 -1.677 2.163 6.523 1.00 0.00 C ATOM 0 H ALA A 73 -2.728 2.300 8.746 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.793 0.281 6.537 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.063 1.879 5.669 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.514 2.771 6.181 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.075 2.737 7.228 1.00 0.00 H new ATOM 1061 N MET A 74 -0.868 -0.066 8.997 1.00 0.00 N ATOM 1062 CA MET A 74 0.254 -0.895 9.523 1.00 0.00 C ATOM 1063 C MET A 74 -0.165 -2.358 9.570 1.00 0.00 C ATOM 1064 O MET A 74 0.551 -3.235 9.132 1.00 0.00 O ATOM 1065 CB MET A 74 0.522 -0.365 10.932 1.00 0.00 C ATOM 1066 CG MET A 74 1.314 0.937 10.842 1.00 0.00 C ATOM 1067 SD MET A 74 3.080 0.555 10.763 1.00 0.00 S ATOM 1068 CE MET A 74 3.194 0.410 8.963 1.00 0.00 C ATOM 0 H MET A 74 -1.450 0.381 9.705 1.00 0.00 H new ATOM 0 HA MET A 74 1.144 -0.834 8.897 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.420 -0.195 11.454 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.078 -1.103 11.510 1.00 0.00 H new ATOM 0 HG2 MET A 74 1.012 1.500 9.959 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.104 1.565 11.708 1.00 0.00 H new ATOM 0 HE1 MET A 74 4.067 0.957 8.608 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.288 -0.641 8.688 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.296 0.826 8.507 1.00 0.00 H new ATOM 1078 N PHE A 75 -1.330 -2.627 10.079 1.00 0.00 N ATOM 1079 CA PHE A 75 -1.795 -4.034 10.124 1.00 0.00 C ATOM 1080 C PHE A 75 -2.263 -4.422 8.721 1.00 0.00 C ATOM 1081 O PHE A 75 -2.252 -5.575 8.341 1.00 0.00 O ATOM 1082 CB PHE A 75 -2.940 -4.052 11.145 1.00 0.00 C ATOM 1083 CG PHE A 75 -4.245 -3.693 10.480 1.00 0.00 C ATOM 1084 CD1 PHE A 75 -5.030 -4.696 9.899 1.00 0.00 C ATOM 1085 CD2 PHE A 75 -4.669 -2.362 10.447 1.00 0.00 C ATOM 1086 CE1 PHE A 75 -6.240 -4.365 9.283 1.00 0.00 C ATOM 1087 CE2 PHE A 75 -5.878 -2.031 9.833 1.00 0.00 C ATOM 1088 CZ PHE A 75 -6.665 -3.032 9.250 1.00 0.00 C ATOM 0 H PHE A 75 -1.976 -1.938 10.463 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.025 -4.747 10.418 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.016 -5.040 11.598 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.729 -3.348 11.950 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.701 -5.724 9.927 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.062 -1.590 10.896 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.846 -5.137 8.833 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -6.207 -1.003 9.808 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.600 -2.775 8.775 1.00 0.00 H new ATOM 1098 N LEU A 76 -2.640 -3.443 7.939 1.00 0.00 N ATOM 1099 CA LEU A 76 -3.074 -3.725 6.546 1.00 0.00 C ATOM 1100 C LEU A 76 -1.841 -4.080 5.716 1.00 0.00 C ATOM 1101 O LEU A 76 -1.917 -4.795 4.734 1.00 0.00 O ATOM 1102 CB LEU A 76 -3.712 -2.423 6.057 1.00 0.00 C ATOM 1103 CG LEU A 76 -5.163 -2.367 6.530 1.00 0.00 C ATOM 1104 CD1 LEU A 76 -5.830 -1.092 6.010 1.00 0.00 C ATOM 1105 CD2 LEU A 76 -5.919 -3.589 6.005 1.00 0.00 C ATOM 0 H LEU A 76 -2.665 -2.460 8.210 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.775 -4.556 6.469 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.158 -1.566 6.441 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.669 -2.369 4.969 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.185 -2.365 7.620 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.865 -1.058 6.351 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.295 -0.221 6.388 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.806 -1.088 4.920 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.955 -3.549 6.343 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.893 -3.593 4.915 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.449 -4.497 6.382 1.00 0.00 H new ATOM 1117 N VAL A 77 -0.699 -3.599 6.126 1.00 0.00 N ATOM 1118 CA VAL A 77 0.558 -3.912 5.393 1.00 0.00 C ATOM 1119 C VAL A 77 1.198 -5.166 5.983 1.00 0.00 C ATOM 1120 O VAL A 77 1.791 -5.956 5.280 1.00 0.00 O ATOM 1121 CB VAL A 77 1.458 -2.690 5.603 1.00 0.00 C ATOM 1122 CG1 VAL A 77 2.887 -3.028 5.165 1.00 0.00 C ATOM 1123 CG2 VAL A 77 0.934 -1.522 4.766 1.00 0.00 C ATOM 0 H VAL A 77 -0.583 -2.999 6.943 1.00 0.00 H new ATOM 0 HA VAL A 77 0.389 -4.106 4.334 1.00 0.00 H new ATOM 0 HB VAL A 77 1.455 -2.413 6.657 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.528 -2.159 5.314 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.262 -3.862 5.759 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.889 -3.304 4.110 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.574 -0.652 4.915 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.938 -1.799 3.712 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.083 -1.281 5.074 1.00 0.00 H new ATOM 1133 N TYR A 78 1.075 -5.357 7.270 1.00 0.00 N ATOM 1134 CA TYR A 78 1.671 -6.567 7.902 1.00 0.00 C ATOM 1135 C TYR A 78 0.759 -7.775 7.684 1.00 0.00 C ATOM 1136 O TYR A 78 1.205 -8.904 7.653 1.00 0.00 O ATOM 1137 CB TYR A 78 1.780 -6.230 9.388 1.00 0.00 C ATOM 1138 CG TYR A 78 3.201 -5.827 9.696 1.00 0.00 C ATOM 1139 CD1 TYR A 78 4.255 -6.690 9.376 1.00 0.00 C ATOM 1140 CD2 TYR A 78 3.462 -4.591 10.299 1.00 0.00 C ATOM 1141 CE1 TYR A 78 5.575 -6.315 9.660 1.00 0.00 C ATOM 1142 CE2 TYR A 78 4.780 -4.217 10.582 1.00 0.00 C ATOM 1143 CZ TYR A 78 5.837 -5.078 10.263 1.00 0.00 C ATOM 1144 OH TYR A 78 7.136 -4.707 10.544 1.00 0.00 O ATOM 0 H TYR A 78 0.588 -4.728 7.909 1.00 0.00 H new ATOM 0 HA TYR A 78 2.641 -6.822 7.476 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.095 -5.421 9.642 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.493 -7.091 9.992 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.052 -7.643 8.911 1.00 0.00 H new ATOM 0 HD2 TYR A 78 2.647 -3.927 10.545 1.00 0.00 H new ATOM 0 HE1 TYR A 78 6.390 -6.979 9.414 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.982 -3.263 11.047 1.00 0.00 H new ATOM 0 HH TYR A 78 7.140 -3.820 10.960 1.00 0.00 H new ATOM 1154 N CYS A 79 -0.516 -7.546 7.514 1.00 0.00 N ATOM 1155 CA CYS A 79 -1.447 -8.683 7.279 1.00 0.00 C ATOM 1156 C CYS A 79 -1.399 -9.072 5.804 1.00 0.00 C ATOM 1157 O CYS A 79 -1.875 -10.117 5.407 1.00 0.00 O ATOM 1158 CB CYS A 79 -2.831 -8.161 7.659 1.00 0.00 C ATOM 1159 SG CYS A 79 -2.946 -8.017 9.460 1.00 0.00 S ATOM 0 H CYS A 79 -0.950 -6.623 7.528 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.188 -9.568 7.861 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -3.006 -7.191 7.194 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.601 -8.837 7.287 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.694 -6.792 9.814 1.00 0.00 H new ATOM 1165 N ALA A 80 -0.807 -8.241 4.987 1.00 0.00 N ATOM 1166 CA ALA A 80 -0.706 -8.569 3.543 1.00 0.00 C ATOM 1167 C ALA A 80 0.536 -9.429 3.316 1.00 0.00 C ATOM 1168 O ALA A 80 0.710 -10.036 2.279 1.00 0.00 O ATOM 1169 CB ALA A 80 -0.566 -7.220 2.843 1.00 0.00 C ATOM 0 H ALA A 80 -0.391 -7.351 5.261 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.565 -9.125 3.168 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.485 -7.375 1.767 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.441 -6.607 3.057 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.329 -6.714 3.205 1.00 0.00 H new ATOM 1175 N LEU A 81 1.396 -9.483 4.296 1.00 0.00 N ATOM 1176 CA LEU A 81 2.633 -10.301 4.168 1.00 0.00 C ATOM 1177 C LEU A 81 2.348 -11.711 4.662 1.00 0.00 C ATOM 1178 O LEU A 81 2.747 -12.692 4.068 1.00 0.00 O ATOM 1179 CB LEU A 81 3.660 -9.621 5.076 1.00 0.00 C ATOM 1180 CG LEU A 81 3.536 -8.099 4.974 1.00 0.00 C ATOM 1181 CD1 LEU A 81 4.826 -7.454 5.477 1.00 0.00 C ATOM 1182 CD2 LEU A 81 3.296 -7.691 3.518 1.00 0.00 C ATOM 0 H LEU A 81 1.293 -8.992 5.184 1.00 0.00 H new ATOM 0 HA LEU A 81 2.989 -10.369 3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.508 -9.936 6.108 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.666 -9.930 4.793 1.00 0.00 H new ATOM 0 HG LEU A 81 2.695 -7.765 5.581 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.742 -6.370 5.406 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.994 -7.738 6.516 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.664 -7.794 4.868 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.209 -6.606 3.454 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.132 -8.025 2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.376 -8.151 3.158 1.00 0.00 H new ATOM 1194 N GLU A 82 1.645 -11.809 5.749 1.00 0.00 N ATOM 1195 CA GLU A 82 1.309 -13.144 6.295 1.00 0.00 C ATOM 1196 C GLU A 82 0.324 -13.841 5.361 1.00 0.00 C ATOM 1197 O GLU A 82 0.563 -14.936 4.896 1.00 0.00 O ATOM 1198 CB GLU A 82 0.659 -12.861 7.649 1.00 0.00 C ATOM 1199 CG GLU A 82 0.206 -14.174 8.284 1.00 0.00 C ATOM 1200 CD GLU A 82 1.016 -14.433 9.556 1.00 0.00 C ATOM 1201 OE1 GLU A 82 2.225 -14.557 9.450 1.00 0.00 O ATOM 1202 OE2 GLU A 82 0.413 -14.501 10.614 1.00 0.00 O ATOM 0 H GLU A 82 1.287 -11.018 6.285 1.00 0.00 H new ATOM 0 HA GLU A 82 2.179 -13.793 6.393 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.367 -12.353 8.304 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.193 -12.194 7.522 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.857 -14.128 8.520 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.341 -14.996 7.581 1.00 0.00 H new ATOM 1260 N VAL A 86 -5.895 -6.997 1.188 1.00 0.00 N ATOM 1261 CA VAL A 86 -6.593 -5.736 1.578 1.00 0.00 C ATOM 1262 C VAL A 86 -7.631 -5.342 0.521 1.00 0.00 C ATOM 1263 O VAL A 86 -7.321 -5.255 -0.650 1.00 0.00 O ATOM 1264 CB VAL A 86 -5.495 -4.679 1.662 1.00 0.00 C ATOM 1265 CG1 VAL A 86 -6.097 -3.362 2.153 1.00 0.00 C ATOM 1266 CG2 VAL A 86 -4.414 -5.141 2.642 1.00 0.00 C ATOM 0 HA VAL A 86 -7.129 -5.846 2.520 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.053 -4.534 0.676 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.315 -2.605 2.214 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.868 -3.032 1.456 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.538 -3.509 3.139 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.630 -4.386 2.702 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.855 -5.285 3.628 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.986 -6.081 2.295 1.00 0.00 H new ATOM 1276 N PRO A 87 -8.834 -5.106 0.978 1.00 0.00 N ATOM 1277 CA PRO A 87 -9.929 -4.705 0.071 1.00 0.00 C ATOM 1278 C PRO A 87 -9.886 -3.191 -0.158 1.00 0.00 C ATOM 1279 O PRO A 87 -8.950 -2.525 0.235 1.00 0.00 O ATOM 1280 CB PRO A 87 -11.184 -5.100 0.840 1.00 0.00 C ATOM 1281 CG PRO A 87 -10.790 -5.093 2.287 1.00 0.00 C ATOM 1282 CD PRO A 87 -9.284 -5.196 2.369 1.00 0.00 C ATOM 0 HA PRO A 87 -9.874 -5.170 -0.913 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -11.996 -4.398 0.652 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -11.537 -6.085 0.535 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -11.135 -4.179 2.770 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -11.257 -5.927 2.812 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.864 -4.393 2.975 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.975 -6.136 2.826 1.00 0.00 H new ATOM 1290 N MET A 88 -10.888 -2.640 -0.783 1.00 0.00 N ATOM 1291 CA MET A 88 -10.891 -1.165 -1.024 1.00 0.00 C ATOM 1292 C MET A 88 -12.026 -0.502 -0.267 1.00 0.00 C ATOM 1293 O MET A 88 -12.383 0.628 -0.532 1.00 0.00 O ATOM 1294 CB MET A 88 -11.147 -0.991 -2.506 1.00 0.00 C ATOM 1295 CG MET A 88 -9.821 -0.847 -3.240 1.00 0.00 C ATOM 1296 SD MET A 88 -10.108 -0.097 -4.863 1.00 0.00 S ATOM 1297 CE MET A 88 -8.431 0.529 -5.134 1.00 0.00 C ATOM 0 H MET A 88 -11.703 -3.142 -1.137 1.00 0.00 H new ATOM 0 HA MET A 88 -9.952 -0.719 -0.697 1.00 0.00 H new ATOM 0 HB2 MET A 88 -11.697 -1.848 -2.893 1.00 0.00 H new ATOM 0 HB3 MET A 88 -11.767 -0.111 -2.677 1.00 0.00 H new ATOM 0 HG2 MET A 88 -9.136 -0.230 -2.658 1.00 0.00 H new ATOM 0 HG3 MET A 88 -9.350 -1.823 -3.357 1.00 0.00 H new ATOM 0 HE1 MET A 88 -8.417 1.157 -6.025 1.00 0.00 H new ATOM 0 HE2 MET A 88 -8.118 1.117 -4.271 1.00 0.00 H new ATOM 0 HE3 MET A 88 -7.747 -0.309 -5.270 1.00 0.00 H new ATOM 1307 N SER A 89 -12.620 -1.193 0.649 1.00 0.00 N ATOM 1308 CA SER A 89 -13.755 -0.580 1.381 1.00 0.00 C ATOM 1309 C SER A 89 -13.419 -0.345 2.840 1.00 0.00 C ATOM 1310 O SER A 89 -13.431 -1.248 3.650 1.00 0.00 O ATOM 1311 CB SER A 89 -14.891 -1.578 1.269 1.00 0.00 C ATOM 1312 OG SER A 89 -14.988 -2.039 -0.073 1.00 0.00 O ATOM 0 H SER A 89 -12.376 -2.145 0.924 1.00 0.00 H new ATOM 0 HA SER A 89 -14.008 0.394 0.961 1.00 0.00 H new ATOM 0 HB2 SER A 89 -14.718 -2.418 1.942 1.00 0.00 H new ATOM 0 HB3 SER A 89 -15.829 -1.113 1.574 1.00 0.00 H new ATOM 0 HG SER A 89 -15.721 -2.685 -0.145 1.00 0.00 H new ATOM 1318 N LEU A 90 -13.140 0.870 3.177 1.00 0.00 N ATOM 1319 CA LEU A 90 -12.816 1.192 4.593 1.00 0.00 C ATOM 1320 C LEU A 90 -13.969 0.760 5.500 1.00 0.00 C ATOM 1321 O LEU A 90 -15.021 1.367 5.496 1.00 0.00 O ATOM 1322 CB LEU A 90 -12.647 2.708 4.633 1.00 0.00 C ATOM 1323 CG LEU A 90 -11.274 3.037 5.211 1.00 0.00 C ATOM 1324 CD1 LEU A 90 -10.897 4.477 4.858 1.00 0.00 C ATOM 1325 CD2 LEU A 90 -11.311 2.876 6.733 1.00 0.00 C ATOM 0 H LEU A 90 -13.120 1.663 2.535 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.920 0.677 4.939 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -12.744 3.125 3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -13.430 3.159 5.242 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.532 2.358 4.790 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -9.916 4.708 5.273 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -10.869 4.591 3.774 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -11.637 5.160 5.275 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.331 3.111 7.148 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -12.054 3.554 7.153 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -11.575 1.849 6.984 1.00 0.00 H new ATOM 1337 N PRO A 91 -13.733 -0.282 6.247 1.00 0.00 N ATOM 1338 CA PRO A 91 -14.767 -0.801 7.166 1.00 0.00 C ATOM 1339 C PRO A 91 -14.808 0.036 8.448 1.00 0.00 C ATOM 1340 O PRO A 91 -13.849 0.700 8.788 1.00 0.00 O ATOM 1341 CB PRO A 91 -14.303 -2.224 7.455 1.00 0.00 C ATOM 1342 CG PRO A 91 -12.822 -2.216 7.230 1.00 0.00 C ATOM 1343 CD PRO A 91 -12.495 -1.065 6.307 1.00 0.00 C ATOM 0 HA PRO A 91 -15.774 -0.764 6.749 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -14.543 -2.515 8.478 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -14.796 -2.939 6.796 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -12.293 -2.107 8.177 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -12.498 -3.160 6.791 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -11.667 -0.470 6.692 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -12.201 -1.419 5.319 1.00 0.00 H new ATOM 1351 N PRO A 92 -15.929 -0.020 9.110 1.00 0.00 N ATOM 1352 CA PRO A 92 -16.114 0.748 10.366 1.00 0.00 C ATOM 1353 C PRO A 92 -15.321 0.116 11.512 1.00 0.00 C ATOM 1354 O PRO A 92 -15.167 0.699 12.567 1.00 0.00 O ATOM 1355 CB PRO A 92 -17.614 0.652 10.624 1.00 0.00 C ATOM 1356 CG PRO A 92 -18.054 -0.591 9.919 1.00 0.00 C ATOM 1357 CD PRO A 92 -17.120 -0.798 8.755 1.00 0.00 C ATOM 0 HA PRO A 92 -15.761 1.777 10.292 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -17.827 0.596 11.691 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -18.136 1.528 10.240 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -18.024 -1.447 10.593 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -19.083 -0.494 9.574 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -16.881 -1.853 8.618 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -17.562 -0.448 7.822 1.00 0.00 H new ATOM 1365 N ALA A 93 -14.808 -1.064 11.313 1.00 0.00 N ATOM 1366 CA ALA A 93 -14.018 -1.722 12.391 1.00 0.00 C ATOM 1367 C ALA A 93 -12.574 -1.228 12.343 1.00 0.00 C ATOM 1368 O ALA A 93 -11.745 -1.626 13.133 1.00 0.00 O ATOM 1369 CB ALA A 93 -14.079 -3.218 12.082 1.00 0.00 C ATOM 0 H ALA A 93 -14.901 -1.602 10.451 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.408 -1.501 13.385 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -13.517 -3.769 12.837 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -15.117 -3.549 12.089 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -13.646 -3.405 11.099 1.00 0.00 H new ATOM 1375 N LEU A 94 -12.265 -0.368 11.411 1.00 0.00 N ATOM 1376 CA LEU A 94 -10.872 0.140 11.306 1.00 0.00 C ATOM 1377 C LEU A 94 -10.843 1.654 11.539 1.00 0.00 C ATOM 1378 O LEU A 94 -9.791 2.252 11.660 1.00 0.00 O ATOM 1379 CB LEU A 94 -10.437 -0.178 9.869 1.00 0.00 C ATOM 1380 CG LEU A 94 -9.886 -1.608 9.753 1.00 0.00 C ATOM 1381 CD1 LEU A 94 -8.753 -1.827 10.758 1.00 0.00 C ATOM 1382 CD2 LEU A 94 -11.001 -2.628 10.006 1.00 0.00 C ATOM 0 H LEU A 94 -12.917 0.003 10.720 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.214 -0.315 12.046 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -11.285 -0.058 9.195 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.675 0.534 9.552 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.497 -1.745 8.744 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.374 -2.845 10.663 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.948 -1.120 10.559 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -9.129 -1.673 11.769 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.597 -3.637 9.921 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -11.407 -2.483 11.007 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -11.793 -2.491 9.270 1.00 0.00 H new ATOM 1394 N VAL A 95 -11.986 2.281 11.590 1.00 0.00 N ATOM 1395 CA VAL A 95 -12.015 3.757 11.800 1.00 0.00 C ATOM 1396 C VAL A 95 -12.401 4.092 13.243 1.00 0.00 C ATOM 1397 O VAL A 95 -13.440 3.679 13.719 1.00 0.00 O ATOM 1398 CB VAL A 95 -13.083 4.271 10.831 1.00 0.00 C ATOM 1399 CG1 VAL A 95 -14.472 3.927 11.368 1.00 0.00 C ATOM 1400 CG2 VAL A 95 -12.956 5.789 10.691 1.00 0.00 C ATOM 0 H VAL A 95 -12.899 1.837 11.496 1.00 0.00 H new ATOM 0 HA VAL A 95 -11.041 4.213 11.623 1.00 0.00 H new ATOM 0 HB VAL A 95 -12.943 3.801 9.858 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -15.231 4.294 10.677 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -14.566 2.846 11.469 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -14.612 4.396 12.342 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -13.716 6.156 10.001 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -13.094 6.257 11.666 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -11.967 6.037 10.306 1.00 0.00 H new