USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 804 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 81 HIS : no HE2:sc= -8.75! C(o=-24!,f=-24!) USER MOD Set 1.2: A 88 HIS : no HE2:sc= -14.9! C(o=-24!,f=-27!) USER MOD Set 2.1: A 43 SER OG : rot -69:sc= -3.64! USER MOD Set 2.2: A 52 HIS : no HE2:sc= -12.2! C(o=-16!,f=-21!) USER MOD Set 3.1: A 23 ASN : amide:sc= -12.5! C(o=-22!,f=-26!) USER MOD Set 3.2: A 96 CYS SG : rot -14:sc= -9.26! USER MOD Single : A 1 SER N :NH3+ -136:sc= 0.231 (180deg=0.00595) USER MOD Single : A 1 SER OG : rot 180:sc= 0.248 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 25 THR OG1 : rot -10:sc= 0.688 USER MOD Single : A 33 SER OG : rot 61:sc= -0.856 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -100:sc= 1.04 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot 16:sc= -2.84! USER MOD Single : A 54 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.00412) USER MOD Single : A 64 HIS : no HD1:sc= -3.63 K(o=-3.6,f=-5.5!) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -0.0784 USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 170:sc= -0.578 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -142:sc= -1.06 (180deg=-3.47!) USER MOD Single : A 99 HIS : no HD1:sc= -0.0722 X(o=-0.072,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 12.422 4.186 3.282 1.00 0.00 N ATOM 2 CA SER A 1 10.961 4.015 3.068 1.00 0.00 C ATOM 3 C SER A 1 10.245 3.696 4.375 1.00 0.00 C ATOM 4 O SER A 1 10.871 3.297 5.357 1.00 0.00 O ATOM 5 CB SER A 1 10.745 2.883 2.062 1.00 0.00 C ATOM 6 OG SER A 1 11.686 1.842 2.253 1.00 0.00 O ATOM 0 H1 SER A 1 12.755 5.018 2.755 1.00 0.00 H new ATOM 0 H2 SER A 1 12.611 4.320 4.296 1.00 0.00 H new ATOM 0 H3 SER A 1 12.924 3.339 2.946 1.00 0.00 H new ATOM 0 HA SER A 1 10.546 4.947 2.684 1.00 0.00 H new ATOM 0 HB2 SER A 1 9.735 2.487 2.167 1.00 0.00 H new ATOM 0 HB3 SER A 1 10.831 3.273 1.048 1.00 0.00 H new ATOM 0 HG SER A 1 11.524 1.131 1.598 1.00 0.00 H new ATOM 14 N GLU A 2 8.928 3.875 4.379 1.00 0.00 N ATOM 15 CA GLU A 2 8.125 3.606 5.564 1.00 0.00 C ATOM 16 C GLU A 2 6.656 3.404 5.196 1.00 0.00 C ATOM 17 O GLU A 2 5.921 4.371 5.004 1.00 0.00 O ATOM 18 CB GLU A 2 8.261 4.756 6.565 1.00 0.00 C ATOM 19 CG GLU A 2 8.444 4.294 8.002 1.00 0.00 C ATOM 20 CD GLU A 2 7.182 4.446 8.827 1.00 0.00 C ATOM 21 OE1 GLU A 2 6.174 3.785 8.500 1.00 0.00 O ATOM 22 OE2 GLU A 2 7.202 5.227 9.803 1.00 0.00 O ATOM 0 H GLU A 2 8.395 4.205 3.574 1.00 0.00 H new ATOM 0 HA GLU A 2 8.492 2.687 6.022 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.111 5.376 6.280 1.00 0.00 H new ATOM 0 HB3 GLU A 2 7.373 5.386 6.505 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.754 3.249 8.007 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.248 4.867 8.465 1.00 0.00 H new ATOM 29 N PRO A 3 6.209 2.141 5.084 1.00 0.00 N ATOM 30 CA PRO A 3 4.828 1.817 4.734 1.00 0.00 C ATOM 31 C PRO A 3 3.916 1.722 5.954 1.00 0.00 C ATOM 32 O PRO A 3 2.830 2.296 5.978 1.00 0.00 O ATOM 33 CB PRO A 3 4.960 0.433 4.096 1.00 0.00 C ATOM 34 CG PRO A 3 6.148 -0.194 4.753 1.00 0.00 C ATOM 35 CD PRO A 3 7.020 0.926 5.279 1.00 0.00 C ATOM 0 HA PRO A 3 4.383 2.581 4.096 1.00 0.00 H new ATOM 0 HB2 PRO A 3 4.061 -0.162 4.258 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.101 0.509 3.018 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.835 -0.850 5.565 1.00 0.00 H new ATOM 0 HG3 PRO A 3 6.700 -0.808 4.042 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.267 0.777 6.330 1.00 0.00 H new ATOM 0 HD3 PRO A 3 7.963 0.985 4.735 1.00 0.00 H new ATOM 43 N TRP A 4 4.355 0.966 6.958 1.00 0.00 N ATOM 44 CA TRP A 4 3.568 0.763 8.167 1.00 0.00 C ATOM 45 C TRP A 4 2.443 -0.227 7.887 1.00 0.00 C ATOM 46 O TRP A 4 1.372 0.149 7.405 1.00 0.00 O ATOM 47 CB TRP A 4 2.995 2.088 8.681 1.00 0.00 C ATOM 48 CG TRP A 4 2.886 2.147 10.175 1.00 0.00 C ATOM 49 CD1 TRP A 4 1.754 2.371 10.905 1.00 0.00 C ATOM 50 CD2 TRP A 4 3.948 1.981 11.122 1.00 0.00 C ATOM 51 NE1 TRP A 4 2.046 2.354 12.247 1.00 0.00 N ATOM 52 CE2 TRP A 4 3.386 2.116 12.406 1.00 0.00 C ATOM 53 CE3 TRP A 4 5.319 1.730 11.009 1.00 0.00 C ATOM 54 CZ2 TRP A 4 4.147 2.009 13.567 1.00 0.00 C ATOM 55 CZ3 TRP A 4 6.073 1.624 12.163 1.00 0.00 C ATOM 56 CH2 TRP A 4 5.486 1.763 13.428 1.00 0.00 C ATOM 0 H TRP A 4 5.254 0.484 6.956 1.00 0.00 H new ATOM 0 HA TRP A 4 4.220 0.358 8.941 1.00 0.00 H new ATOM 0 HB2 TRP A 4 3.627 2.907 8.337 1.00 0.00 H new ATOM 0 HB3 TRP A 4 2.008 2.242 8.245 1.00 0.00 H new ATOM 0 HD1 TRP A 4 0.772 2.537 10.488 1.00 0.00 H new ATOM 0 HE1 TRP A 4 1.375 2.495 13.002 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.780 1.621 10.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 3.697 2.116 14.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 7.133 1.431 12.088 1.00 0.00 H new ATOM 0 HH2 TRP A 4 6.102 1.674 14.310 1.00 0.00 H new ATOM 67 N PHE A 5 2.702 -1.498 8.172 1.00 0.00 N ATOM 68 CA PHE A 5 1.721 -2.548 7.938 1.00 0.00 C ATOM 69 C PHE A 5 0.650 -2.542 9.021 1.00 0.00 C ATOM 70 O PHE A 5 0.949 -2.676 10.207 1.00 0.00 O ATOM 71 CB PHE A 5 2.407 -3.914 7.892 1.00 0.00 C ATOM 72 CG PHE A 5 3.088 -4.286 9.178 1.00 0.00 C ATOM 73 CD1 PHE A 5 4.405 -3.924 9.410 1.00 0.00 C ATOM 74 CD2 PHE A 5 2.411 -4.998 10.155 1.00 0.00 C ATOM 75 CE1 PHE A 5 5.034 -4.265 10.593 1.00 0.00 C ATOM 76 CE2 PHE A 5 3.034 -5.343 11.340 1.00 0.00 C ATOM 77 CZ PHE A 5 4.348 -4.976 11.559 1.00 0.00 C ATOM 0 H PHE A 5 3.584 -1.825 8.566 1.00 0.00 H new ATOM 0 HA PHE A 5 1.243 -2.356 6.978 1.00 0.00 H new ATOM 0 HB2 PHE A 5 1.666 -4.676 7.649 1.00 0.00 H new ATOM 0 HB3 PHE A 5 3.142 -3.916 7.087 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.946 -3.369 8.658 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.384 -5.287 9.989 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.061 -3.976 10.762 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.495 -5.898 12.093 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.838 -5.244 12.483 1.00 0.00 H new ATOM 87 N PHE A 6 -0.601 -2.392 8.603 1.00 0.00 N ATOM 88 CA PHE A 6 -1.720 -2.377 9.536 1.00 0.00 C ATOM 89 C PHE A 6 -2.846 -3.261 9.019 1.00 0.00 C ATOM 90 O PHE A 6 -3.652 -2.837 8.196 1.00 0.00 O ATOM 91 CB PHE A 6 -2.220 -0.945 9.748 1.00 0.00 C ATOM 92 CG PHE A 6 -2.123 -0.483 11.174 1.00 0.00 C ATOM 93 CD1 PHE A 6 -2.936 -1.036 12.150 1.00 0.00 C ATOM 94 CD2 PHE A 6 -1.220 0.503 11.537 1.00 0.00 C ATOM 95 CE1 PHE A 6 -2.850 -0.614 13.463 1.00 0.00 C ATOM 96 CE2 PHE A 6 -1.131 0.929 12.849 1.00 0.00 C ATOM 97 CZ PHE A 6 -1.946 0.369 13.813 1.00 0.00 C ATOM 0 H PHE A 6 -0.866 -2.279 7.624 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.380 -2.769 10.495 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -1.644 -0.270 9.115 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.258 -0.879 9.422 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.645 -1.805 11.882 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -0.579 0.943 10.787 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -3.489 -1.053 14.215 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -0.424 1.699 13.120 1.00 0.00 H new ATOM 0 HZ PHE A 6 -1.876 0.699 14.839 1.00 0.00 H new ATOM 107 N GLY A 7 -2.896 -4.495 9.509 1.00 0.00 N ATOM 108 CA GLY A 7 -3.921 -5.420 9.079 1.00 0.00 C ATOM 109 C GLY A 7 -5.211 -5.261 9.847 1.00 0.00 C ATOM 110 O GLY A 7 -6.047 -6.166 9.857 1.00 0.00 O ATOM 0 H GLY A 7 -2.243 -4.869 10.197 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.115 -5.272 8.017 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.556 -6.440 9.197 1.00 0.00 H new ATOM 114 N CYS A 8 -5.382 -4.116 10.499 1.00 0.00 N ATOM 115 CA CYS A 8 -6.587 -3.872 11.269 1.00 0.00 C ATOM 116 C CYS A 8 -7.302 -2.596 10.821 1.00 0.00 C ATOM 117 O CYS A 8 -8.391 -2.289 11.306 1.00 0.00 O ATOM 118 CB CYS A 8 -6.258 -3.796 12.761 1.00 0.00 C ATOM 119 SG CYS A 8 -7.157 -4.992 13.776 1.00 0.00 S ATOM 0 H CYS A 8 -4.706 -3.352 10.508 1.00 0.00 H new ATOM 0 HA CYS A 8 -7.263 -4.708 11.092 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -5.188 -3.954 12.895 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.480 -2.791 13.120 1.00 0.00 H new ATOM 0 HG CYS A 8 -6.810 -4.852 15.021 1.00 0.00 H new ATOM 125 N ILE A 9 -6.694 -1.855 9.898 1.00 0.00 N ATOM 126 CA ILE A 9 -7.296 -0.622 9.404 1.00 0.00 C ATOM 127 C ILE A 9 -8.385 -0.918 8.379 1.00 0.00 C ATOM 128 O ILE A 9 -8.200 -1.738 7.479 1.00 0.00 O ATOM 129 CB ILE A 9 -6.246 0.315 8.770 1.00 0.00 C ATOM 130 CG1 ILE A 9 -5.477 -0.406 7.664 1.00 0.00 C ATOM 131 CG2 ILE A 9 -5.287 0.835 9.830 1.00 0.00 C ATOM 132 CD1 ILE A 9 -4.921 0.527 6.611 1.00 0.00 C ATOM 0 H ILE A 9 -5.792 -2.085 9.481 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.735 -0.121 10.267 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.768 1.164 8.328 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.657 -0.969 8.110 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -6.137 -1.130 7.185 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.554 1.494 9.365 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.845 1.388 10.585 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.774 -0.004 10.300 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.387 -0.052 5.857 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.739 1.071 6.139 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.236 1.235 7.077 1.00 0.00 H new ATOM 144 N SER A 10 -9.522 -0.246 8.520 1.00 0.00 N ATOM 145 CA SER A 10 -10.640 -0.438 7.605 1.00 0.00 C ATOM 146 C SER A 10 -10.446 0.389 6.339 1.00 0.00 C ATOM 147 O SER A 10 -9.709 1.374 6.338 1.00 0.00 O ATOM 148 CB SER A 10 -11.956 -0.054 8.282 1.00 0.00 C ATOM 149 OG SER A 10 -12.549 -1.173 8.918 1.00 0.00 O ATOM 0 H SER A 10 -9.693 0.436 9.259 1.00 0.00 H new ATOM 0 HA SER A 10 -10.678 -1.492 7.331 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.775 0.731 9.016 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.644 0.354 7.541 1.00 0.00 H new ATOM 0 HG SER A 10 -13.388 -0.900 9.345 1.00 0.00 H new ATOM 155 N ARG A 11 -11.110 -0.017 5.262 1.00 0.00 N ATOM 156 CA ARG A 11 -11.006 0.693 3.992 1.00 0.00 C ATOM 157 C ARG A 11 -11.389 2.156 4.152 1.00 0.00 C ATOM 158 O ARG A 11 -10.915 3.021 3.419 1.00 0.00 O ATOM 159 CB ARG A 11 -11.896 0.034 2.936 1.00 0.00 C ATOM 160 CG ARG A 11 -11.767 0.662 1.558 1.00 0.00 C ATOM 161 CD ARG A 11 -12.316 -0.253 0.475 1.00 0.00 C ATOM 162 NE ARG A 11 -13.741 -0.035 0.245 1.00 0.00 N ATOM 163 CZ ARG A 11 -14.506 -0.839 -0.489 1.00 0.00 C ATOM 164 NH1 ARG A 11 -13.987 -1.915 -1.068 1.00 0.00 N ATOM 165 NH2 ARG A 11 -15.795 -0.566 -0.646 1.00 0.00 N ATOM 0 H ARG A 11 -11.724 -0.831 5.243 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.968 0.642 3.664 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.644 -1.024 2.869 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.935 0.095 3.259 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.301 1.612 1.538 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.719 0.881 1.354 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.769 -0.085 -0.453 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.150 -1.292 0.760 1.00 0.00 H new ATOM 0 HE ARG A 11 -14.176 0.782 0.672 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.997 -2.129 -0.951 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.579 -2.527 -1.629 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -16.199 0.260 -0.204 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -16.382 -1.182 -1.209 1.00 0.00 H new ATOM 179 N SER A 12 -12.249 2.418 5.119 1.00 0.00 N ATOM 180 CA SER A 12 -12.711 3.772 5.392 1.00 0.00 C ATOM 181 C SER A 12 -11.597 4.624 5.992 1.00 0.00 C ATOM 182 O SER A 12 -11.550 5.838 5.785 1.00 0.00 O ATOM 183 CB SER A 12 -13.910 3.740 6.341 1.00 0.00 C ATOM 184 OG SER A 12 -14.866 4.725 5.990 1.00 0.00 O ATOM 0 H SER A 12 -12.646 1.707 5.734 1.00 0.00 H new ATOM 0 HA SER A 12 -13.013 4.221 4.446 1.00 0.00 H new ATOM 0 HB2 SER A 12 -14.373 2.754 6.313 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.572 3.905 7.364 1.00 0.00 H new ATOM 0 HG SER A 12 -15.623 4.682 6.611 1.00 0.00 H new ATOM 190 N GLU A 13 -10.705 3.985 6.742 1.00 0.00 N ATOM 191 CA GLU A 13 -9.599 4.696 7.376 1.00 0.00 C ATOM 192 C GLU A 13 -8.477 4.978 6.388 1.00 0.00 C ATOM 193 O GLU A 13 -8.014 6.103 6.280 1.00 0.00 O ATOM 194 CB GLU A 13 -9.039 3.899 8.554 1.00 0.00 C ATOM 195 CG GLU A 13 -10.095 3.150 9.350 1.00 0.00 C ATOM 196 CD GLU A 13 -9.599 2.713 10.713 1.00 0.00 C ATOM 197 OE1 GLU A 13 -9.534 3.567 11.623 1.00 0.00 O ATOM 198 OE2 GLU A 13 -9.276 1.517 10.873 1.00 0.00 O ATOM 0 H GLU A 13 -10.725 2.982 6.925 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.998 5.644 7.737 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.305 3.185 8.180 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.510 4.579 9.221 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.971 3.787 9.474 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.415 2.274 8.786 1.00 0.00 H new ATOM 205 N ALA A 14 -8.033 3.947 5.680 1.00 0.00 N ATOM 206 CA ALA A 14 -6.948 4.097 4.721 1.00 0.00 C ATOM 207 C ALA A 14 -7.256 5.180 3.692 1.00 0.00 C ATOM 208 O ALA A 14 -6.347 5.831 3.176 1.00 0.00 O ATOM 209 CB ALA A 14 -6.663 2.768 4.038 1.00 0.00 C ATOM 0 H ALA A 14 -8.407 3.001 5.752 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.057 4.410 5.266 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.850 2.893 3.323 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.378 2.028 4.786 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.557 2.429 3.515 1.00 0.00 H new ATOM 215 N VAL A 15 -8.538 5.381 3.406 1.00 0.00 N ATOM 216 CA VAL A 15 -8.944 6.404 2.444 1.00 0.00 C ATOM 217 C VAL A 15 -8.809 7.799 3.051 1.00 0.00 C ATOM 218 O VAL A 15 -8.258 8.707 2.432 1.00 0.00 O ATOM 219 CB VAL A 15 -10.393 6.203 1.961 1.00 0.00 C ATOM 220 CG1 VAL A 15 -10.745 7.216 0.883 1.00 0.00 C ATOM 221 CG2 VAL A 15 -10.601 4.785 1.452 1.00 0.00 C ATOM 0 H VAL A 15 -9.308 4.856 3.821 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.279 6.308 1.585 1.00 0.00 H new ATOM 0 HB VAL A 15 -11.058 6.361 2.810 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -11.772 7.057 0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.644 8.224 1.284 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.071 7.094 0.035 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.631 4.666 1.116 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.924 4.594 0.619 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.397 4.077 2.255 1.00 0.00 H new ATOM 231 N ARG A 16 -9.306 7.962 4.271 1.00 0.00 N ATOM 232 CA ARG A 16 -9.223 9.248 4.955 1.00 0.00 C ATOM 233 C ARG A 16 -7.857 9.420 5.615 1.00 0.00 C ATOM 234 O ARG A 16 -7.476 10.523 6.009 1.00 0.00 O ATOM 235 CB ARG A 16 -10.331 9.369 6.003 1.00 0.00 C ATOM 236 CG ARG A 16 -11.733 9.288 5.418 1.00 0.00 C ATOM 237 CD ARG A 16 -12.364 10.665 5.293 1.00 0.00 C ATOM 238 NE ARG A 16 -12.713 11.227 6.597 1.00 0.00 N ATOM 239 CZ ARG A 16 -13.735 10.804 7.337 1.00 0.00 C ATOM 240 NH1 ARG A 16 -14.513 9.820 6.906 1.00 0.00 N ATOM 241 NH2 ARG A 16 -13.981 11.368 8.512 1.00 0.00 N ATOM 0 H ARG A 16 -9.768 7.226 4.805 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.353 10.036 4.214 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.208 8.578 6.742 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.220 10.317 6.529 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.692 8.815 4.437 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -12.357 8.657 6.051 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.673 11.336 4.782 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -13.259 10.599 4.675 1.00 0.00 H new ATOM 0 HE ARG A 16 -12.139 11.988 6.961 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -14.329 9.383 6.003 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -15.295 9.500 7.478 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.387 12.126 8.848 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -14.764 11.044 9.079 1.00 0.00 H new ATOM 255 N ARG A 17 -7.129 8.317 5.727 1.00 0.00 N ATOM 256 CA ARG A 17 -5.808 8.321 6.335 1.00 0.00 C ATOM 257 C ARG A 17 -4.744 8.699 5.308 1.00 0.00 C ATOM 258 O ARG A 17 -3.880 9.533 5.578 1.00 0.00 O ATOM 259 CB ARG A 17 -5.502 6.952 6.954 1.00 0.00 C ATOM 260 CG ARG A 17 -4.278 6.958 7.853 1.00 0.00 C ATOM 261 CD ARG A 17 -3.898 5.553 8.292 1.00 0.00 C ATOM 262 NE ARG A 17 -2.612 5.527 8.985 1.00 0.00 N ATOM 263 CZ ARG A 17 -2.185 4.502 9.719 1.00 0.00 C ATOM 264 NH1 ARG A 17 -2.934 3.414 9.849 1.00 0.00 N ATOM 265 NH2 ARG A 17 -1.007 4.565 10.324 1.00 0.00 N ATOM 0 H ARG A 17 -7.436 7.401 5.401 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.794 9.069 7.128 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.366 6.621 7.530 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -5.354 6.225 6.155 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.440 7.414 7.325 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.474 7.573 8.731 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.672 5.156 8.949 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.854 4.900 7.420 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.005 6.343 8.901 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.841 3.361 9.385 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.603 2.631 10.412 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.428 5.399 10.227 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.680 3.779 10.886 1.00 0.00 H new ATOM 279 N LEU A 18 -4.822 8.098 4.122 1.00 0.00 N ATOM 280 CA LEU A 18 -3.870 8.401 3.058 1.00 0.00 C ATOM 281 C LEU A 18 -3.997 9.859 2.653 1.00 0.00 C ATOM 282 O LEU A 18 -3.009 10.553 2.421 1.00 0.00 O ATOM 283 CB LEU A 18 -4.111 7.512 1.841 1.00 0.00 C ATOM 284 CG LEU A 18 -3.240 6.266 1.746 1.00 0.00 C ATOM 285 CD1 LEU A 18 -1.772 6.618 1.912 1.00 0.00 C ATOM 286 CD2 LEU A 18 -3.668 5.242 2.779 1.00 0.00 C ATOM 0 H LEU A 18 -5.528 7.405 3.876 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.865 8.210 3.435 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.156 7.202 1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.957 8.109 0.942 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.371 5.831 0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.170 5.712 1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.474 7.314 1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.617 7.081 2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.036 4.358 2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.569 5.669 3.777 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.707 4.962 2.605 1.00 0.00 H new ATOM 298 N GLN A 19 -5.239 10.296 2.573 1.00 0.00 N ATOM 299 CA GLN A 19 -5.565 11.669 2.194 1.00 0.00 C ATOM 300 C GLN A 19 -5.315 12.642 3.346 1.00 0.00 C ATOM 301 O GLN A 19 -5.154 13.843 3.125 1.00 0.00 O ATOM 302 CB GLN A 19 -7.025 11.758 1.740 1.00 0.00 C ATOM 303 CG GLN A 19 -7.183 11.971 0.243 1.00 0.00 C ATOM 304 CD GLN A 19 -8.547 12.521 -0.127 1.00 0.00 C ATOM 305 OE1 GLN A 19 -8.897 13.643 0.241 1.00 0.00 O ATOM 306 NE2 GLN A 19 -9.325 11.732 -0.859 1.00 0.00 N ATOM 0 H GLN A 19 -6.054 9.715 2.768 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.912 11.951 1.368 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.542 10.842 2.025 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -7.512 12.577 2.269 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.412 12.658 -0.106 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.025 11.024 -0.274 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.994 10.810 -1.142 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -10.253 12.049 -1.139 1.00 0.00 H new ATOM 315 N ALA A 20 -5.285 12.123 4.575 1.00 0.00 N ATOM 316 CA ALA A 20 -5.052 12.954 5.757 1.00 0.00 C ATOM 317 C ALA A 20 -3.885 13.915 5.540 1.00 0.00 C ATOM 318 O ALA A 20 -3.176 13.822 4.538 1.00 0.00 O ATOM 319 CB ALA A 20 -4.785 12.072 6.968 1.00 0.00 C ATOM 0 H ALA A 20 -5.419 11.132 4.777 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.948 13.549 5.934 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.613 12.698 7.843 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.646 11.428 7.146 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.904 11.457 6.783 1.00 0.00 H new ATOM 325 N GLU A 21 -3.678 14.835 6.482 1.00 0.00 N ATOM 326 CA GLU A 21 -2.583 15.794 6.358 1.00 0.00 C ATOM 327 C GLU A 21 -1.302 15.269 6.982 1.00 0.00 C ATOM 328 O GLU A 21 -0.339 16.007 7.191 1.00 0.00 O ATOM 329 CB GLU A 21 -2.964 17.146 6.965 1.00 0.00 C ATOM 330 CG GLU A 21 -4.192 17.774 6.326 1.00 0.00 C ATOM 331 CD GLU A 21 -4.682 18.994 7.081 1.00 0.00 C ATOM 332 OE1 GLU A 21 -3.847 19.862 7.412 1.00 0.00 O ATOM 333 OE2 GLU A 21 -5.901 19.081 7.341 1.00 0.00 O ATOM 0 H GLU A 21 -4.244 14.936 7.325 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.398 15.936 5.293 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.145 17.018 8.032 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.122 17.831 6.864 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.959 18.056 5.299 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.991 17.034 6.280 1.00 0.00 H new ATOM 340 N GLY A 22 -1.298 13.980 7.226 1.00 0.00 N ATOM 341 CA GLY A 22 -0.133 13.313 7.773 1.00 0.00 C ATOM 342 C GLY A 22 0.697 12.672 6.679 1.00 0.00 C ATOM 343 O GLY A 22 1.809 12.200 6.919 1.00 0.00 O ATOM 0 H GLY A 22 -2.094 13.365 7.054 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.476 14.031 8.321 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.448 12.552 8.487 1.00 0.00 H new ATOM 347 N ASN A 23 0.132 12.641 5.473 1.00 0.00 N ATOM 348 CA ASN A 23 0.783 12.040 4.318 1.00 0.00 C ATOM 349 C ASN A 23 1.260 13.094 3.335 1.00 0.00 C ATOM 350 O ASN A 23 0.491 13.951 2.900 1.00 0.00 O ATOM 351 CB ASN A 23 -0.192 11.092 3.632 1.00 0.00 C ATOM 352 CG ASN A 23 -0.498 9.886 4.491 1.00 0.00 C ATOM 353 OD1 ASN A 23 -0.289 9.903 5.704 1.00 0.00 O ATOM 354 ND2 ASN A 23 -0.995 8.832 3.868 1.00 0.00 N ATOM 0 H ASN A 23 -0.789 13.032 5.273 1.00 0.00 H new ATOM 0 HA ASN A 23 1.659 11.491 4.663 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.117 11.622 3.406 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.228 10.764 2.681 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.222 7.988 4.394 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.152 8.862 2.861 1.00 0.00 H new ATOM 361 N ALA A 24 2.535 13.014 2.980 1.00 0.00 N ATOM 362 CA ALA A 24 3.115 13.952 2.038 1.00 0.00 C ATOM 363 C ALA A 24 3.395 13.272 0.709 1.00 0.00 C ATOM 364 O ALA A 24 4.537 13.199 0.257 1.00 0.00 O ATOM 365 CB ALA A 24 4.382 14.570 2.606 1.00 0.00 C ATOM 0 H ALA A 24 3.184 12.309 3.331 1.00 0.00 H new ATOM 0 HA ALA A 24 2.396 14.753 1.865 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.801 15.270 1.883 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.146 15.099 3.529 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.109 13.784 2.813 1.00 0.00 H new ATOM 371 N THR A 25 2.329 12.780 0.095 1.00 0.00 N ATOM 372 CA THR A 25 2.412 12.098 -1.187 1.00 0.00 C ATOM 373 C THR A 25 3.288 10.852 -1.102 1.00 0.00 C ATOM 374 O THR A 25 4.337 10.857 -0.458 1.00 0.00 O ATOM 375 CB THR A 25 2.930 13.050 -2.268 1.00 0.00 C ATOM 376 OG1 THR A 25 4.321 13.270 -2.126 1.00 0.00 O ATOM 377 CG2 THR A 25 2.242 14.400 -2.247 1.00 0.00 C ATOM 0 H THR A 25 1.383 12.843 0.472 1.00 0.00 H new ATOM 0 HA THR A 25 1.407 11.776 -1.458 1.00 0.00 H new ATOM 0 HB THR A 25 2.710 12.559 -3.216 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.625 12.901 -1.270 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.652 15.030 -3.036 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.173 14.266 -2.409 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.405 14.877 -1.280 1.00 0.00 H new ATOM 385 N GLY A 26 2.830 9.777 -1.740 1.00 0.00 N ATOM 386 CA GLY A 26 3.559 8.522 -1.711 1.00 0.00 C ATOM 387 C GLY A 26 3.275 7.735 -0.457 1.00 0.00 C ATOM 388 O GLY A 26 3.522 6.535 -0.414 1.00 0.00 O ATOM 0 H GLY A 26 1.964 9.754 -2.278 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.289 7.926 -2.583 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.628 8.722 -1.780 1.00 0.00 H new ATOM 392 N ALA A 27 2.734 8.408 0.563 1.00 0.00 N ATOM 393 CA ALA A 27 2.394 7.756 1.817 1.00 0.00 C ATOM 394 C ALA A 27 1.717 6.424 1.539 1.00 0.00 C ATOM 395 O ALA A 27 0.721 6.381 0.827 1.00 0.00 O ATOM 396 CB ALA A 27 1.475 8.653 2.630 1.00 0.00 C ATOM 0 H ALA A 27 2.524 9.406 0.538 1.00 0.00 H new ATOM 0 HA ALA A 27 3.305 7.575 2.387 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.223 8.160 3.569 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.979 9.596 2.839 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.563 8.847 2.066 1.00 0.00 H new ATOM 402 N PHE A 28 2.266 5.335 2.064 1.00 0.00 N ATOM 403 CA PHE A 28 1.693 4.028 1.812 1.00 0.00 C ATOM 404 C PHE A 28 1.549 3.241 3.100 1.00 0.00 C ATOM 405 O PHE A 28 2.178 3.546 4.111 1.00 0.00 O ATOM 406 CB PHE A 28 2.558 3.277 0.805 1.00 0.00 C ATOM 407 CG PHE A 28 4.029 3.309 1.118 1.00 0.00 C ATOM 408 CD1 PHE A 28 4.735 4.497 1.079 1.00 0.00 C ATOM 409 CD2 PHE A 28 4.704 2.151 1.450 1.00 0.00 C ATOM 410 CE1 PHE A 28 6.084 4.529 1.366 1.00 0.00 C ATOM 411 CE2 PHE A 28 6.058 2.179 1.737 1.00 0.00 C ATOM 412 CZ PHE A 28 6.747 3.368 1.694 1.00 0.00 C ATOM 0 H PHE A 28 3.095 5.334 2.658 1.00 0.00 H new ATOM 0 HA PHE A 28 0.694 4.154 1.394 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.229 2.239 0.762 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.398 3.704 -0.185 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.224 5.412 0.820 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.170 1.213 1.486 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.620 5.466 1.333 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.574 1.266 1.995 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.804 3.391 1.917 1.00 0.00 H new ATOM 422 N LEU A 29 0.691 2.242 3.046 1.00 0.00 N ATOM 423 CA LEU A 29 0.403 1.387 4.188 1.00 0.00 C ATOM 424 C LEU A 29 -0.107 0.034 3.731 1.00 0.00 C ATOM 425 O LEU A 29 -0.912 -0.058 2.810 1.00 0.00 O ATOM 426 CB LEU A 29 -0.648 2.029 5.082 1.00 0.00 C ATOM 427 CG LEU A 29 -1.855 2.680 4.372 1.00 0.00 C ATOM 428 CD1 LEU A 29 -2.066 2.169 2.949 1.00 0.00 C ATOM 429 CD2 LEU A 29 -3.109 2.432 5.177 1.00 0.00 C ATOM 0 H LEU A 29 0.169 1.996 2.205 1.00 0.00 H new ATOM 0 HA LEU A 29 1.330 1.256 4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.025 1.268 5.766 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.159 2.790 5.690 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.639 3.746 4.302 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.930 2.667 2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.180 2.382 2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.239 1.093 2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.960 2.892 4.675 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.277 1.359 5.267 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.996 2.866 6.170 1.00 0.00 H new ATOM 441 N ILE A 30 0.331 -1.020 4.381 1.00 0.00 N ATOM 442 CA ILE A 30 -0.125 -2.341 3.997 1.00 0.00 C ATOM 443 C ILE A 30 -1.045 -2.931 5.048 1.00 0.00 C ATOM 444 O ILE A 30 -0.629 -3.222 6.168 1.00 0.00 O ATOM 445 CB ILE A 30 1.031 -3.318 3.713 1.00 0.00 C ATOM 446 CG1 ILE A 30 2.332 -2.562 3.366 1.00 0.00 C ATOM 447 CG2 ILE A 30 0.619 -4.262 2.589 1.00 0.00 C ATOM 448 CD1 ILE A 30 2.493 -2.228 1.894 1.00 0.00 C ATOM 0 H ILE A 30 0.988 -0.994 5.161 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.676 -2.206 3.067 1.00 0.00 H new ATOM 0 HB ILE A 30 1.237 -3.901 4.611 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.364 -1.637 3.941 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.183 -3.164 3.684 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.432 -4.957 2.381 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.268 -4.820 2.889 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.398 -3.684 1.692 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.433 -1.698 1.742 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.497 -3.149 1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.665 -1.597 1.571 1.00 0.00 H new ATOM 460 N ARG A 31 -2.303 -3.102 4.671 1.00 0.00 N ATOM 461 CA ARG A 31 -3.300 -3.653 5.570 1.00 0.00 C ATOM 462 C ARG A 31 -3.726 -5.033 5.102 1.00 0.00 C ATOM 463 O ARG A 31 -3.166 -5.573 4.149 1.00 0.00 O ATOM 464 CB ARG A 31 -4.520 -2.735 5.631 1.00 0.00 C ATOM 465 CG ARG A 31 -5.328 -2.734 4.348 1.00 0.00 C ATOM 466 CD ARG A 31 -6.304 -1.570 4.293 1.00 0.00 C ATOM 467 NE ARG A 31 -7.581 -1.957 3.696 1.00 0.00 N ATOM 468 CZ ARG A 31 -8.302 -1.169 2.899 1.00 0.00 C ATOM 469 NH1 ARG A 31 -7.900 0.068 2.628 1.00 0.00 N ATOM 470 NH2 ARG A 31 -9.434 -1.618 2.377 1.00 0.00 N ATOM 0 H ARG A 31 -2.657 -2.865 3.744 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.861 -3.733 6.564 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.160 -3.046 6.456 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.192 -1.718 5.848 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.653 -2.682 3.494 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.877 -3.672 4.264 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.474 -1.191 5.301 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.866 -0.756 3.716 1.00 0.00 H new ATOM 0 HE ARG A 31 -7.943 -2.888 3.902 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.033 0.422 3.031 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.459 0.663 2.017 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.752 -2.565 2.586 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.988 -1.017 1.767 1.00 0.00 H new ATOM 484 N VAL A 32 -4.729 -5.598 5.757 1.00 0.00 N ATOM 485 CA VAL A 32 -5.213 -6.910 5.373 1.00 0.00 C ATOM 486 C VAL A 32 -6.343 -6.800 4.363 1.00 0.00 C ATOM 487 O VAL A 32 -7.246 -5.975 4.504 1.00 0.00 O ATOM 488 CB VAL A 32 -5.688 -7.725 6.590 1.00 0.00 C ATOM 489 CG1 VAL A 32 -4.531 -7.990 7.540 1.00 0.00 C ATOM 490 CG2 VAL A 32 -6.822 -7.006 7.306 1.00 0.00 C ATOM 0 H VAL A 32 -5.216 -5.174 6.546 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.373 -7.434 4.916 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.064 -8.685 6.236 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.886 -8.567 8.394 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.755 -8.551 7.020 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.122 -7.042 7.888 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.144 -7.597 8.163 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.476 -6.030 7.648 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.659 -6.874 6.621 1.00 0.00 H new ATOM 500 N SER A 33 -6.271 -7.635 3.340 1.00 0.00 N ATOM 501 CA SER A 33 -7.265 -7.649 2.280 1.00 0.00 C ATOM 502 C SER A 33 -8.682 -7.756 2.833 1.00 0.00 C ATOM 503 O SER A 33 -9.206 -8.855 3.015 1.00 0.00 O ATOM 504 CB SER A 33 -6.992 -8.815 1.333 1.00 0.00 C ATOM 505 OG SER A 33 -6.226 -9.822 1.972 1.00 0.00 O ATOM 0 H SER A 33 -5.525 -8.320 3.221 1.00 0.00 H new ATOM 0 HA SER A 33 -7.189 -6.705 1.740 1.00 0.00 H new ATOM 0 HB2 SER A 33 -7.936 -9.236 0.988 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.462 -8.455 0.451 1.00 0.00 H new ATOM 0 HG SER A 33 -6.718 -10.165 2.747 1.00 0.00 H new ATOM 511 N GLU A 34 -9.309 -6.609 3.077 1.00 0.00 N ATOM 512 CA GLU A 34 -10.675 -6.587 3.584 1.00 0.00 C ATOM 513 C GLU A 34 -11.632 -7.155 2.540 1.00 0.00 C ATOM 514 O GLU A 34 -12.756 -7.548 2.852 1.00 0.00 O ATOM 515 CB GLU A 34 -11.088 -5.162 3.958 1.00 0.00 C ATOM 516 CG GLU A 34 -10.240 -4.554 5.063 1.00 0.00 C ATOM 517 CD GLU A 34 -10.852 -4.742 6.438 1.00 0.00 C ATOM 518 OE1 GLU A 34 -11.694 -5.651 6.593 1.00 0.00 O ATOM 519 OE2 GLU A 34 -10.487 -3.982 7.359 1.00 0.00 O ATOM 0 H GLU A 34 -8.895 -5.688 2.933 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.721 -7.206 4.480 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.024 -4.530 3.072 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.132 -5.166 4.272 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.248 -5.006 5.046 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.108 -3.489 4.871 1.00 0.00 H new ATOM 526 N LYS A 35 -11.161 -7.201 1.300 1.00 0.00 N ATOM 527 CA LYS A 35 -11.946 -7.727 0.188 1.00 0.00 C ATOM 528 C LYS A 35 -11.351 -9.045 -0.311 1.00 0.00 C ATOM 529 O LYS A 35 -12.028 -10.073 -0.314 1.00 0.00 O ATOM 530 CB LYS A 35 -12.028 -6.713 -0.967 1.00 0.00 C ATOM 531 CG LYS A 35 -11.414 -5.352 -0.659 1.00 0.00 C ATOM 532 CD LYS A 35 -11.049 -4.603 -1.933 1.00 0.00 C ATOM 533 CE LYS A 35 -9.579 -4.213 -1.952 1.00 0.00 C ATOM 534 NZ LYS A 35 -9.010 -4.260 -3.327 1.00 0.00 N ATOM 0 H LYS A 35 -10.230 -6.877 1.037 1.00 0.00 H new ATOM 0 HA LYS A 35 -12.957 -7.909 0.552 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.528 -7.134 -1.839 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.075 -6.573 -1.237 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.117 -4.758 -0.075 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.523 -5.484 -0.045 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.272 -5.227 -2.799 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.665 -3.708 -2.018 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.465 -3.208 -1.546 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.017 -4.885 -1.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.007 -3.988 -3.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.096 -5.225 -3.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.530 -3.600 -3.940 1.00 0.00 H new ATOM 548 N PRO A 36 -10.069 -9.041 -0.736 1.00 0.00 N ATOM 549 CA PRO A 36 -9.403 -10.254 -1.225 1.00 0.00 C ATOM 550 C PRO A 36 -9.468 -11.389 -0.203 1.00 0.00 C ATOM 551 O PRO A 36 -10.089 -11.247 0.850 1.00 0.00 O ATOM 552 CB PRO A 36 -7.954 -9.807 -1.455 1.00 0.00 C ATOM 553 CG PRO A 36 -8.030 -8.329 -1.624 1.00 0.00 C ATOM 554 CD PRO A 36 -9.172 -7.870 -0.765 1.00 0.00 C ATOM 0 HA PRO A 36 -9.876 -10.650 -2.124 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.319 -10.076 -0.611 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.529 -10.284 -2.338 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -7.098 -7.853 -1.319 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -8.197 -8.064 -2.668 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -8.837 -7.595 0.235 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -9.666 -6.995 -1.187 1.00 0.00 H new ATOM 562 N SER A 37 -8.836 -12.516 -0.520 1.00 0.00 N ATOM 563 CA SER A 37 -8.842 -13.670 0.376 1.00 0.00 C ATOM 564 C SER A 37 -7.749 -13.555 1.443 1.00 0.00 C ATOM 565 O SER A 37 -7.966 -12.958 2.497 1.00 0.00 O ATOM 566 CB SER A 37 -8.677 -14.965 -0.427 1.00 0.00 C ATOM 567 OG SER A 37 -7.450 -14.973 -1.136 1.00 0.00 O ATOM 0 H SER A 37 -8.315 -12.655 -1.386 1.00 0.00 H new ATOM 0 HA SER A 37 -9.803 -13.693 0.889 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.717 -15.821 0.246 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.506 -15.071 -1.127 1.00 0.00 H new ATOM 0 HG SER A 37 -7.611 -14.730 -2.072 1.00 0.00 H new ATOM 573 N ALA A 38 -6.577 -14.127 1.169 1.00 0.00 N ATOM 574 CA ALA A 38 -5.463 -14.081 2.111 1.00 0.00 C ATOM 575 C ALA A 38 -4.314 -13.262 1.538 1.00 0.00 C ATOM 576 O ALA A 38 -3.216 -13.775 1.318 1.00 0.00 O ATOM 577 CB ALA A 38 -4.996 -15.489 2.450 1.00 0.00 C ATOM 0 H ALA A 38 -6.376 -14.627 0.303 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.805 -13.600 3.027 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.165 -15.437 3.153 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.818 -16.047 2.900 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.670 -15.993 1.540 1.00 0.00 H new ATOM 583 N ASP A 39 -4.582 -11.989 1.288 1.00 0.00 N ATOM 584 CA ASP A 39 -3.583 -11.090 0.725 1.00 0.00 C ATOM 585 C ASP A 39 -3.432 -9.835 1.583 1.00 0.00 C ATOM 586 O ASP A 39 -3.850 -9.812 2.741 1.00 0.00 O ATOM 587 CB ASP A 39 -3.985 -10.710 -0.703 1.00 0.00 C ATOM 588 CG ASP A 39 -4.472 -11.902 -1.507 1.00 0.00 C ATOM 589 OD1 ASP A 39 -3.638 -12.764 -1.853 1.00 0.00 O ATOM 590 OD2 ASP A 39 -5.687 -11.972 -1.786 1.00 0.00 O ATOM 0 H ASP A 39 -5.487 -11.553 1.467 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.621 -11.603 0.707 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.770 -9.955 -0.667 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.132 -10.259 -1.209 1.00 0.00 H new ATOM 595 N TYR A 40 -2.853 -8.787 1.002 1.00 0.00 N ATOM 596 CA TYR A 40 -2.673 -7.523 1.704 1.00 0.00 C ATOM 597 C TYR A 40 -2.969 -6.404 0.749 1.00 0.00 C ATOM 598 O TYR A 40 -2.566 -6.448 -0.404 1.00 0.00 O ATOM 599 CB TYR A 40 -1.249 -7.381 2.275 1.00 0.00 C ATOM 600 CG TYR A 40 -1.177 -7.648 3.763 1.00 0.00 C ATOM 601 CD1 TYR A 40 -1.472 -8.905 4.273 1.00 0.00 C ATOM 602 CD2 TYR A 40 -0.814 -6.647 4.658 1.00 0.00 C ATOM 603 CE1 TYR A 40 -1.408 -9.159 5.629 1.00 0.00 C ATOM 604 CE2 TYR A 40 -0.746 -6.894 6.016 1.00 0.00 C ATOM 605 CZ TYR A 40 -1.044 -8.151 6.497 1.00 0.00 C ATOM 606 OH TYR A 40 -0.977 -8.402 7.848 1.00 0.00 O ATOM 0 H TYR A 40 -2.500 -8.790 0.045 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.357 -7.489 2.552 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.585 -8.072 1.755 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.882 -6.374 2.074 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.757 -9.698 3.598 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.581 -5.660 4.285 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.642 -10.143 6.008 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.461 -6.106 6.697 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.705 -7.587 8.319 1.00 0.00 H new ATOM 616 N VAL A 41 -3.687 -5.409 1.218 1.00 0.00 N ATOM 617 CA VAL A 41 -4.033 -4.291 0.362 1.00 0.00 C ATOM 618 C VAL A 41 -3.235 -3.061 0.737 1.00 0.00 C ATOM 619 O VAL A 41 -3.170 -2.675 1.903 1.00 0.00 O ATOM 620 CB VAL A 41 -5.539 -3.993 0.395 1.00 0.00 C ATOM 621 CG1 VAL A 41 -6.277 -5.005 -0.470 1.00 0.00 C ATOM 622 CG2 VAL A 41 -6.063 -4.027 1.822 1.00 0.00 C ATOM 0 H VAL A 41 -4.040 -5.348 2.173 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.778 -4.571 -0.660 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.711 -2.992 -0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.346 -4.793 -0.446 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.916 -4.938 -1.496 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.098 -6.010 -0.088 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.132 -3.813 1.822 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.890 -5.015 2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.543 -3.277 2.419 1.00 0.00 H new ATOM 632 N LEU A 42 -2.602 -2.466 -0.261 1.00 0.00 N ATOM 633 CA LEU A 42 -1.778 -1.299 -0.044 1.00 0.00 C ATOM 634 C LEU A 42 -2.431 -0.056 -0.609 1.00 0.00 C ATOM 635 O LEU A 42 -2.927 -0.063 -1.728 1.00 0.00 O ATOM 636 CB LEU A 42 -0.418 -1.490 -0.699 1.00 0.00 C ATOM 637 CG LEU A 42 0.529 -0.308 -0.548 1.00 0.00 C ATOM 638 CD1 LEU A 42 0.708 0.024 0.915 1.00 0.00 C ATOM 639 CD2 LEU A 42 1.863 -0.626 -1.190 1.00 0.00 C ATOM 0 H LEU A 42 -2.647 -2.777 -1.231 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.656 -1.173 1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.055 -2.375 -0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.565 -1.688 -1.761 1.00 0.00 H new ATOM 0 HG LEU A 42 0.102 0.559 -1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.387 0.871 1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.258 0.280 1.351 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.124 -0.838 1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.534 0.226 -1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.301 -1.499 -0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.716 -0.834 -2.250 1.00 0.00 H new ATOM 651 N SER A 43 -2.409 1.018 0.156 1.00 0.00 N ATOM 652 CA SER A 43 -2.988 2.268 -0.303 1.00 0.00 C ATOM 653 C SER A 43 -2.011 3.411 -0.193 1.00 0.00 C ATOM 654 O SER A 43 -1.238 3.506 0.759 1.00 0.00 O ATOM 655 CB SER A 43 -4.276 2.586 0.424 1.00 0.00 C ATOM 656 OG SER A 43 -4.402 1.836 1.620 1.00 0.00 O ATOM 0 H SER A 43 -2.001 1.052 1.090 1.00 0.00 H new ATOM 0 HA SER A 43 -3.225 2.138 -1.359 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.309 3.650 0.657 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.124 2.376 -0.228 1.00 0.00 H new ATOM 0 HG SER A 43 -4.542 0.891 1.400 1.00 0.00 H new ATOM 662 N VAL A 44 -2.041 4.268 -1.197 1.00 0.00 N ATOM 663 CA VAL A 44 -1.141 5.408 -1.245 1.00 0.00 C ATOM 664 C VAL A 44 -1.861 6.693 -1.621 1.00 0.00 C ATOM 665 O VAL A 44 -2.730 6.703 -2.494 1.00 0.00 O ATOM 666 CB VAL A 44 0.028 5.147 -2.220 1.00 0.00 C ATOM 667 CG1 VAL A 44 -0.344 5.493 -3.652 1.00 0.00 C ATOM 668 CG2 VAL A 44 1.268 5.911 -1.785 1.00 0.00 C ATOM 0 H VAL A 44 -2.678 4.197 -1.990 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.741 5.537 -0.239 1.00 0.00 H new ATOM 0 HB VAL A 44 0.249 4.080 -2.190 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.505 5.295 -4.306 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.193 4.884 -3.965 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.612 6.548 -3.714 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.081 5.714 -2.484 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.051 6.979 -1.772 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.563 5.588 -0.786 1.00 0.00 H new ATOM 678 N ARG A 45 -1.466 7.787 -0.975 1.00 0.00 N ATOM 679 CA ARG A 45 -2.045 9.088 -1.267 1.00 0.00 C ATOM 680 C ARG A 45 -1.770 9.441 -2.722 1.00 0.00 C ATOM 681 O ARG A 45 -2.399 10.327 -3.298 1.00 0.00 O ATOM 682 CB ARG A 45 -1.459 10.157 -0.338 1.00 0.00 C ATOM 683 CG ARG A 45 -2.111 11.522 -0.480 1.00 0.00 C ATOM 684 CD ARG A 45 -1.571 12.504 0.548 1.00 0.00 C ATOM 685 NE ARG A 45 -2.313 13.764 0.547 1.00 0.00 N ATOM 686 CZ ARG A 45 -1.947 14.845 -0.141 1.00 0.00 C ATOM 687 NH1 ARG A 45 -0.855 14.828 -0.894 1.00 0.00 N ATOM 688 NH2 ARG A 45 -2.680 15.947 -0.077 1.00 0.00 N ATOM 0 H ARG A 45 -0.750 7.795 -0.249 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.121 9.050 -1.100 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.561 9.822 0.694 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.392 10.253 -0.538 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.934 11.909 -1.483 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.190 11.426 -0.362 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.622 12.055 1.540 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.519 12.703 0.342 1.00 0.00 H new ATOM 0 HE ARG A 45 -3.163 13.819 1.108 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.287 13.982 -0.950 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.583 15.660 -1.417 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.522 15.967 0.498 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.402 16.776 -0.603 1.00 0.00 H new ATOM 702 N ASP A 46 -0.818 8.714 -3.306 1.00 0.00 N ATOM 703 CA ASP A 46 -0.426 8.911 -4.712 1.00 0.00 C ATOM 704 C ASP A 46 -0.310 10.387 -5.091 1.00 0.00 C ATOM 705 O ASP A 46 -0.472 10.741 -6.256 1.00 0.00 O ATOM 706 CB ASP A 46 -1.424 8.241 -5.650 1.00 0.00 C ATOM 707 CG ASP A 46 -0.998 8.329 -7.108 1.00 0.00 C ATOM 708 OD1 ASP A 46 0.217 8.244 -7.378 1.00 0.00 O ATOM 709 OD2 ASP A 46 -1.876 8.495 -7.979 1.00 0.00 O ATOM 0 H ASP A 46 -0.298 7.978 -2.829 1.00 0.00 H new ATOM 0 HA ASP A 46 0.558 8.454 -4.818 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.536 7.194 -5.369 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.401 8.709 -5.531 1.00 0.00 H new ATOM 714 N THR A 47 -0.020 11.227 -4.105 1.00 0.00 N ATOM 715 CA THR A 47 0.141 12.675 -4.302 1.00 0.00 C ATOM 716 C THR A 47 -1.085 13.451 -3.850 1.00 0.00 C ATOM 717 O THR A 47 -0.988 14.615 -3.465 1.00 0.00 O ATOM 718 CB THR A 47 0.489 13.036 -5.759 1.00 0.00 C ATOM 719 OG1 THR A 47 1.308 14.192 -5.803 1.00 0.00 O ATOM 720 CG2 THR A 47 -0.721 13.304 -6.635 1.00 0.00 C ATOM 0 H THR A 47 0.112 10.928 -3.139 1.00 0.00 H new ATOM 0 HA THR A 47 0.983 12.968 -3.675 1.00 0.00 H new ATOM 0 HB THR A 47 1.005 12.159 -6.150 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.521 14.407 -6.735 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.392 13.551 -7.644 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.352 12.415 -6.666 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.290 14.138 -6.225 1.00 0.00 H new ATOM 728 N GLN A 48 -2.231 12.800 -3.897 1.00 0.00 N ATOM 729 CA GLN A 48 -3.482 13.429 -3.491 1.00 0.00 C ATOM 730 C GLN A 48 -4.536 12.375 -3.137 1.00 0.00 C ATOM 731 O GLN A 48 -4.380 11.641 -2.164 1.00 0.00 O ATOM 732 CB GLN A 48 -3.989 14.365 -4.597 1.00 0.00 C ATOM 733 CG GLN A 48 -3.119 15.594 -4.806 1.00 0.00 C ATOM 734 CD GLN A 48 -3.878 16.742 -5.442 1.00 0.00 C ATOM 735 OE1 GLN A 48 -4.296 16.661 -6.597 1.00 0.00 O ATOM 736 NE2 GLN A 48 -4.059 17.821 -4.689 1.00 0.00 N ATOM 0 H GLN A 48 -2.326 11.835 -4.212 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.295 14.023 -2.596 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.047 13.809 -5.533 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.002 14.685 -4.353 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.716 15.917 -3.846 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.270 15.331 -5.436 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.695 17.845 -3.736 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.562 18.626 -5.063 1.00 0.00 H new ATOM 745 N ALA A 49 -5.609 12.301 -3.927 1.00 0.00 N ATOM 746 CA ALA A 49 -6.674 11.332 -3.685 1.00 0.00 C ATOM 747 C ALA A 49 -6.102 9.942 -3.438 1.00 0.00 C ATOM 748 O ALA A 49 -5.222 9.486 -4.169 1.00 0.00 O ATOM 749 CB ALA A 49 -7.642 11.307 -4.859 1.00 0.00 C ATOM 0 H ALA A 49 -5.761 12.901 -4.738 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.215 11.638 -2.790 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.431 10.580 -4.665 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.083 12.295 -4.988 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.106 11.028 -5.766 1.00 0.00 H new ATOM 755 N VAL A 50 -6.596 9.273 -2.401 1.00 0.00 N ATOM 756 CA VAL A 50 -6.113 7.941 -2.067 1.00 0.00 C ATOM 757 C VAL A 50 -6.345 6.959 -3.200 1.00 0.00 C ATOM 758 O VAL A 50 -7.226 7.144 -4.040 1.00 0.00 O ATOM 759 CB VAL A 50 -6.771 7.386 -0.790 1.00 0.00 C ATOM 760 CG1 VAL A 50 -6.191 6.019 -0.438 1.00 0.00 C ATOM 761 CG2 VAL A 50 -6.587 8.356 0.358 1.00 0.00 C ATOM 0 H VAL A 50 -7.325 9.629 -1.783 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.042 8.050 -1.894 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.839 7.265 -0.973 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.668 5.643 0.467 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.372 5.325 -1.259 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.118 6.111 -0.271 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.057 7.952 1.255 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.523 8.505 0.541 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.049 9.311 0.105 1.00 0.00 H new ATOM 771 N ARG A 51 -5.541 5.912 -3.201 1.00 0.00 N ATOM 772 CA ARG A 51 -5.624 4.869 -4.205 1.00 0.00 C ATOM 773 C ARG A 51 -5.172 3.558 -3.589 1.00 0.00 C ATOM 774 O ARG A 51 -3.989 3.366 -3.307 1.00 0.00 O ATOM 775 CB ARG A 51 -4.759 5.225 -5.412 1.00 0.00 C ATOM 776 CG ARG A 51 -4.579 6.722 -5.603 1.00 0.00 C ATOM 777 CD ARG A 51 -3.805 7.038 -6.867 1.00 0.00 C ATOM 778 NE ARG A 51 -4.484 6.547 -8.065 1.00 0.00 N ATOM 779 CZ ARG A 51 -3.857 6.170 -9.178 1.00 0.00 C ATOM 780 NH1 ARG A 51 -2.534 6.230 -9.260 1.00 0.00 N ATOM 781 NH2 ARG A 51 -4.559 5.733 -10.216 1.00 0.00 N ATOM 0 H ARG A 51 -4.811 5.761 -2.505 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.654 4.770 -4.549 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.780 4.760 -5.298 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.210 4.803 -6.310 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.556 7.203 -5.645 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.055 7.138 -4.742 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.665 8.116 -6.946 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.812 6.592 -6.805 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.502 6.490 -8.047 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.989 6.567 -8.467 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.062 5.939 -10.116 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.576 5.686 -10.160 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.081 5.444 -11.069 1.00 0.00 H new ATOM 795 N HIS A 52 -6.123 2.673 -3.343 1.00 0.00 N ATOM 796 CA HIS A 52 -5.821 1.399 -2.716 1.00 0.00 C ATOM 797 C HIS A 52 -5.364 0.378 -3.736 1.00 0.00 C ATOM 798 O HIS A 52 -5.537 0.565 -4.940 1.00 0.00 O ATOM 799 CB HIS A 52 -7.047 0.904 -1.955 1.00 0.00 C ATOM 800 CG HIS A 52 -7.501 1.916 -0.967 1.00 0.00 C ATOM 801 ND1 HIS A 52 -6.980 1.986 0.297 1.00 0.00 N ATOM 802 CD2 HIS A 52 -8.317 2.986 -1.100 1.00 0.00 C ATOM 803 CE1 HIS A 52 -7.432 3.062 0.896 1.00 0.00 C ATOM 804 NE2 HIS A 52 -8.255 3.690 0.075 1.00 0.00 N ATOM 0 H HIS A 52 -7.108 2.813 -3.567 1.00 0.00 H new ATOM 0 HA HIS A 52 -4.999 1.539 -2.014 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -7.853 0.688 -2.657 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.810 -0.029 -1.444 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -6.340 1.307 0.709 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -8.907 3.239 -1.969 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.174 3.382 1.895 1.00 0.00 H new ATOM 813 N TYR A 53 -4.742 -0.686 -3.250 1.00 0.00 N ATOM 814 CA TYR A 53 -4.216 -1.711 -4.127 1.00 0.00 C ATOM 815 C TYR A 53 -4.235 -3.082 -3.468 1.00 0.00 C ATOM 816 O TYR A 53 -3.805 -3.238 -2.328 1.00 0.00 O ATOM 817 CB TYR A 53 -2.782 -1.350 -4.504 1.00 0.00 C ATOM 818 CG TYR A 53 -2.596 0.098 -4.911 1.00 0.00 C ATOM 819 CD1 TYR A 53 -3.113 0.565 -6.109 1.00 0.00 C ATOM 820 CD2 TYR A 53 -1.882 0.991 -4.113 1.00 0.00 C ATOM 821 CE1 TYR A 53 -2.931 1.873 -6.508 1.00 0.00 C ATOM 822 CE2 TYR A 53 -1.689 2.301 -4.510 1.00 0.00 C ATOM 823 CZ TYR A 53 -2.216 2.736 -5.709 1.00 0.00 C ATOM 824 OH TYR A 53 -2.017 4.035 -6.118 1.00 0.00 O ATOM 0 H TYR A 53 -4.592 -0.858 -2.256 1.00 0.00 H new ATOM 0 HA TYR A 53 -4.848 -1.759 -5.014 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.130 -1.565 -3.658 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.461 -1.991 -5.325 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.670 -0.109 -6.743 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.474 0.654 -3.171 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.348 2.218 -7.443 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.129 2.981 -3.885 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.642 4.249 -6.842 1.00 0.00 H new ATOM 834 N LYS A 54 -4.712 -4.077 -4.202 1.00 0.00 N ATOM 835 CA LYS A 54 -4.758 -5.440 -3.701 1.00 0.00 C ATOM 836 C LYS A 54 -3.418 -6.122 -3.949 1.00 0.00 C ATOM 837 O LYS A 54 -3.067 -6.417 -5.089 1.00 0.00 O ATOM 838 CB LYS A 54 -5.885 -6.224 -4.383 1.00 0.00 C ATOM 839 CG LYS A 54 -5.885 -7.709 -4.056 1.00 0.00 C ATOM 840 CD LYS A 54 -6.993 -8.443 -4.793 1.00 0.00 C ATOM 841 CE LYS A 54 -6.518 -8.963 -6.141 1.00 0.00 C ATOM 842 NZ LYS A 54 -6.992 -8.108 -7.264 1.00 0.00 N ATOM 0 H LYS A 54 -5.073 -3.964 -5.149 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.956 -5.417 -2.629 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.843 -5.796 -4.087 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.800 -6.099 -5.462 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.921 -8.141 -4.323 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.009 -7.846 -2.982 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.346 -9.276 -4.185 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.840 -7.773 -4.939 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.429 -9.004 -6.151 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.877 -9.982 -6.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.357 -8.223 -8.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.956 -8.391 -7.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.995 -7.112 -6.965 1.00 0.00 H new ATOM 856 N ILE A 55 -2.681 -6.378 -2.875 1.00 0.00 N ATOM 857 CA ILE A 55 -1.387 -7.032 -2.973 1.00 0.00 C ATOM 858 C ILE A 55 -1.583 -8.527 -2.783 1.00 0.00 C ATOM 859 O ILE A 55 -1.655 -9.013 -1.657 1.00 0.00 O ATOM 860 CB ILE A 55 -0.392 -6.499 -1.912 1.00 0.00 C ATOM 861 CG1 ILE A 55 -0.666 -5.032 -1.552 1.00 0.00 C ATOM 862 CG2 ILE A 55 1.044 -6.651 -2.384 1.00 0.00 C ATOM 863 CD1 ILE A 55 -0.267 -4.696 -0.137 1.00 0.00 C ATOM 0 H ILE A 55 -2.961 -6.141 -1.923 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.965 -6.820 -3.955 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.539 -7.101 -1.016 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.123 -4.385 -2.242 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.727 -4.821 -1.686 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.721 -6.269 -1.620 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.258 -7.704 -2.564 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.185 -6.089 -3.307 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.483 -3.646 0.062 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.829 -5.321 0.558 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.800 -4.878 -0.007 1.00 0.00 H new ATOM 875 N TRP A 56 -1.715 -9.244 -3.893 1.00 0.00 N ATOM 876 CA TRP A 56 -1.965 -10.681 -3.856 1.00 0.00 C ATOM 877 C TRP A 56 -0.683 -11.488 -3.700 1.00 0.00 C ATOM 878 O TRP A 56 0.309 -11.252 -4.388 1.00 0.00 O ATOM 879 CB TRP A 56 -2.697 -11.104 -5.133 1.00 0.00 C ATOM 880 CG TRP A 56 -3.241 -12.499 -5.081 1.00 0.00 C ATOM 881 CD1 TRP A 56 -2.551 -13.655 -5.293 1.00 0.00 C ATOM 882 CD2 TRP A 56 -4.594 -12.883 -4.808 1.00 0.00 C ATOM 883 NE1 TRP A 56 -3.387 -14.736 -5.163 1.00 0.00 N ATOM 884 CE2 TRP A 56 -4.648 -14.289 -4.865 1.00 0.00 C ATOM 885 CE3 TRP A 56 -5.764 -12.175 -4.517 1.00 0.00 C ATOM 886 CZ2 TRP A 56 -5.825 -14.999 -4.643 1.00 0.00 C ATOM 887 CZ3 TRP A 56 -6.932 -12.882 -4.298 1.00 0.00 C ATOM 888 CH2 TRP A 56 -6.954 -14.281 -4.362 1.00 0.00 C ATOM 0 H TRP A 56 -1.653 -8.853 -4.833 1.00 0.00 H new ATOM 0 HA TRP A 56 -2.583 -10.887 -2.982 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.517 -10.410 -5.318 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -2.013 -11.021 -5.978 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -1.499 -13.712 -5.529 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -3.114 -15.713 -5.271 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -5.756 -11.096 -4.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -5.845 -16.078 -4.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -7.843 -12.346 -4.074 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -7.883 -14.804 -4.186 1.00 0.00 H new ATOM 899 N ARG A 57 -0.727 -12.452 -2.781 1.00 0.00 N ATOM 900 CA ARG A 57 0.410 -13.321 -2.511 1.00 0.00 C ATOM 901 C ARG A 57 0.398 -14.520 -3.453 1.00 0.00 C ATOM 902 O ARG A 57 -0.662 -14.963 -3.892 1.00 0.00 O ATOM 903 CB ARG A 57 0.374 -13.795 -1.056 1.00 0.00 C ATOM 904 CG ARG A 57 1.620 -14.548 -0.623 1.00 0.00 C ATOM 905 CD ARG A 57 1.406 -15.257 0.705 1.00 0.00 C ATOM 906 NE ARG A 57 2.585 -15.183 1.564 1.00 0.00 N ATOM 907 CZ ARG A 57 2.780 -15.963 2.625 1.00 0.00 C ATOM 908 NH1 ARG A 57 1.878 -16.877 2.959 1.00 0.00 N ATOM 909 NH2 ARG A 57 3.881 -15.831 3.352 1.00 0.00 N ATOM 0 H ARG A 57 -1.547 -12.649 -2.208 1.00 0.00 H new ATOM 0 HA ARG A 57 1.328 -12.757 -2.678 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.239 -12.931 -0.406 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.495 -14.438 -0.915 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.890 -15.277 -1.387 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.455 -13.853 -0.536 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.555 -14.812 1.220 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.157 -16.302 0.521 1.00 0.00 H new ATOM 0 HE ARG A 57 3.301 -14.493 1.338 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.030 -16.984 2.402 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.032 -17.472 3.773 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.579 -15.132 3.098 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.030 -16.429 4.165 1.00 0.00 H new ATOM 923 N ARG A 58 1.578 -15.037 -3.769 1.00 0.00 N ATOM 924 CA ARG A 58 1.693 -16.177 -4.671 1.00 0.00 C ATOM 925 C ARG A 58 1.696 -17.501 -3.911 1.00 0.00 C ATOM 926 O ARG A 58 2.407 -18.436 -4.281 1.00 0.00 O ATOM 927 CB ARG A 58 2.969 -16.049 -5.502 1.00 0.00 C ATOM 928 CG ARG A 58 2.804 -15.187 -6.744 1.00 0.00 C ATOM 929 CD ARG A 58 2.314 -16.003 -7.928 1.00 0.00 C ATOM 930 NE ARG A 58 0.857 -15.984 -8.039 1.00 0.00 N ATOM 931 CZ ARG A 58 0.195 -16.236 -9.166 1.00 0.00 C ATOM 932 NH1 ARG A 58 0.853 -16.541 -10.278 1.00 0.00 N ATOM 933 NH2 ARG A 58 -1.130 -16.187 -9.180 1.00 0.00 N ATOM 0 H ARG A 58 2.468 -14.686 -3.415 1.00 0.00 H new ATOM 0 HA ARG A 58 0.823 -16.175 -5.328 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.757 -15.626 -4.879 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.299 -17.044 -5.802 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.098 -14.382 -6.538 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.757 -14.719 -6.993 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.753 -15.611 -8.845 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.657 -17.033 -7.826 1.00 0.00 H new ATOM 0 HE ARG A 58 0.315 -15.765 -7.203 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.872 -16.583 -10.272 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.339 -16.733 -11.138 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -1.641 -15.956 -8.328 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.638 -16.380 -10.043 1.00 0.00 H new ATOM 947 N ALA A 59 0.894 -17.580 -2.852 1.00 0.00 N ATOM 948 CA ALA A 59 0.800 -18.796 -2.045 1.00 0.00 C ATOM 949 C ALA A 59 2.180 -19.370 -1.735 1.00 0.00 C ATOM 950 O ALA A 59 2.577 -20.394 -2.292 1.00 0.00 O ATOM 951 CB ALA A 59 -0.056 -19.833 -2.757 1.00 0.00 C ATOM 0 H ALA A 59 0.299 -16.816 -2.532 1.00 0.00 H new ATOM 0 HA ALA A 59 0.329 -18.534 -1.098 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.119 -20.734 -2.147 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.057 -19.432 -2.916 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.394 -20.077 -3.719 1.00 0.00 H new ATOM 957 N GLY A 60 2.906 -18.706 -0.844 1.00 0.00 N ATOM 958 CA GLY A 60 4.232 -19.166 -0.477 1.00 0.00 C ATOM 959 C GLY A 60 5.190 -18.020 -0.218 1.00 0.00 C ATOM 960 O GLY A 60 5.897 -18.011 0.791 1.00 0.00 O ATOM 0 H GLY A 60 2.600 -17.857 -0.369 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.164 -19.788 0.416 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.629 -19.795 -1.274 1.00 0.00 H new ATOM 964 N GLY A 61 5.213 -17.051 -1.127 1.00 0.00 N ATOM 965 CA GLY A 61 6.095 -15.911 -0.967 1.00 0.00 C ATOM 966 C GLY A 61 6.292 -15.134 -2.254 1.00 0.00 C ATOM 967 O GLY A 61 7.252 -15.369 -2.988 1.00 0.00 O ATOM 0 H GLY A 61 4.638 -17.035 -1.969 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.687 -15.246 -0.206 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.063 -16.255 -0.604 1.00 0.00 H new ATOM 971 N ARG A 62 5.382 -14.200 -2.525 1.00 0.00 N ATOM 972 CA ARG A 62 5.458 -13.373 -3.726 1.00 0.00 C ATOM 973 C ARG A 62 4.213 -12.504 -3.871 1.00 0.00 C ATOM 974 O ARG A 62 3.191 -12.939 -4.399 1.00 0.00 O ATOM 975 CB ARG A 62 5.639 -14.237 -4.977 1.00 0.00 C ATOM 976 CG ARG A 62 6.816 -13.819 -5.841 1.00 0.00 C ATOM 977 CD ARG A 62 6.492 -13.937 -7.322 1.00 0.00 C ATOM 978 NE ARG A 62 6.852 -15.248 -7.860 1.00 0.00 N ATOM 979 CZ ARG A 62 6.387 -15.730 -9.010 1.00 0.00 C ATOM 980 NH1 ARG A 62 5.545 -15.014 -9.746 1.00 0.00 N ATOM 981 NH2 ARG A 62 6.764 -16.932 -9.426 1.00 0.00 N ATOM 0 H ARG A 62 4.581 -13.997 -1.926 1.00 0.00 H new ATOM 0 HA ARG A 62 6.327 -12.723 -3.622 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.772 -15.276 -4.675 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.728 -14.193 -5.573 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.091 -12.790 -5.609 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.680 -14.441 -5.606 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.427 -13.763 -7.475 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.024 -13.161 -7.872 1.00 0.00 H new ATOM 0 HE ARG A 62 7.497 -15.827 -7.323 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.251 -14.089 -9.431 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.192 -15.389 -10.627 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.410 -17.487 -8.864 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.408 -17.302 -10.307 1.00 0.00 H new ATOM 995 N LEU A 63 4.320 -11.267 -3.403 1.00 0.00 N ATOM 996 CA LEU A 63 3.220 -10.313 -3.479 1.00 0.00 C ATOM 997 C LEU A 63 3.217 -9.616 -4.831 1.00 0.00 C ATOM 998 O LEU A 63 4.271 -9.384 -5.416 1.00 0.00 O ATOM 999 CB LEU A 63 3.338 -9.268 -2.369 1.00 0.00 C ATOM 1000 CG LEU A 63 2.813 -9.710 -1.004 1.00 0.00 C ATOM 1001 CD1 LEU A 63 1.331 -10.036 -1.085 1.00 0.00 C ATOM 1002 CD2 LEU A 63 3.600 -10.909 -0.495 1.00 0.00 C ATOM 0 H LEU A 63 5.164 -10.899 -2.964 1.00 0.00 H new ATOM 0 HA LEU A 63 2.286 -10.861 -3.354 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.386 -8.988 -2.265 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.798 -8.372 -2.676 1.00 0.00 H new ATOM 0 HG LEU A 63 2.945 -8.889 -0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.973 -10.349 -0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.781 -9.152 -1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.174 -10.841 -1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.213 -11.211 0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.499 -11.736 -1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.652 -10.640 -0.400 1.00 0.00 H new ATOM 1014 N HIS A 64 2.034 -9.278 -5.322 1.00 0.00 N ATOM 1015 CA HIS A 64 1.916 -8.604 -6.605 1.00 0.00 C ATOM 1016 C HIS A 64 0.626 -7.801 -6.687 1.00 0.00 C ATOM 1017 O HIS A 64 -0.451 -8.357 -6.904 1.00 0.00 O ATOM 1018 CB HIS A 64 1.982 -9.618 -7.750 1.00 0.00 C ATOM 1019 CG HIS A 64 0.835 -10.580 -7.774 1.00 0.00 C ATOM 1020 ND1 HIS A 64 -0.304 -10.374 -8.523 1.00 0.00 N ATOM 1021 CD2 HIS A 64 0.656 -11.764 -7.141 1.00 0.00 C ATOM 1022 CE1 HIS A 64 -1.134 -11.387 -8.349 1.00 0.00 C ATOM 1023 NE2 HIS A 64 -0.575 -12.246 -7.515 1.00 0.00 N ATOM 0 H HIS A 64 1.146 -9.459 -4.853 1.00 0.00 H new ATOM 0 HA HIS A 64 2.753 -7.912 -6.698 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.012 -9.080 -8.698 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.913 -10.179 -7.672 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.352 -12.241 -6.467 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -2.105 -11.495 -8.810 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -0.990 -13.123 -7.200 1.00 0.00 H new ATOM 1032 N LEU A 65 0.737 -6.489 -6.521 1.00 0.00 N ATOM 1033 CA LEU A 65 -0.428 -5.619 -6.591 1.00 0.00 C ATOM 1034 C LEU A 65 -0.960 -5.570 -8.017 1.00 0.00 C ATOM 1035 O LEU A 65 -2.145 -5.338 -8.252 1.00 0.00 O ATOM 1036 CB LEU A 65 -0.081 -4.211 -6.111 1.00 0.00 C ATOM 1037 CG LEU A 65 0.356 -4.126 -4.652 1.00 0.00 C ATOM 1038 CD1 LEU A 65 1.827 -4.471 -4.524 1.00 0.00 C ATOM 1039 CD2 LEU A 65 0.079 -2.742 -4.088 1.00 0.00 C ATOM 0 H LEU A 65 1.617 -6.007 -6.338 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.200 -6.025 -5.937 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.716 -3.814 -6.739 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.950 -3.568 -6.254 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.221 -4.848 -4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.126 -4.407 -3.478 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.996 -5.484 -4.888 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.418 -3.770 -5.114 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.398 -2.703 -3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.629 -1.998 -4.664 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.989 -2.531 -4.148 1.00 0.00 H new ATOM 1051 N ASN A 66 -0.059 -5.801 -8.959 1.00 0.00 N ATOM 1052 CA ASN A 66 -0.391 -5.802 -10.375 1.00 0.00 C ATOM 1053 C ASN A 66 0.197 -7.034 -11.054 1.00 0.00 C ATOM 1054 O ASN A 66 0.975 -7.775 -10.451 1.00 0.00 O ATOM 1055 CB ASN A 66 0.126 -4.528 -11.047 1.00 0.00 C ATOM 1056 CG ASN A 66 -0.971 -3.763 -11.761 1.00 0.00 C ATOM 1057 OD1 ASN A 66 -1.699 -2.983 -11.146 1.00 0.00 O ATOM 1058 ND2 ASN A 66 -1.097 -3.984 -13.064 1.00 0.00 N ATOM 0 H ASN A 66 0.923 -5.993 -8.763 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.476 -5.831 -10.477 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.583 -3.885 -10.296 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.907 -4.789 -11.761 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.819 -3.499 -13.596 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -0.472 -4.639 -13.533 1.00 0.00 H new ATOM 1065 N GLU A 67 -0.177 -7.251 -12.310 1.00 0.00 N ATOM 1066 CA GLU A 67 0.313 -8.399 -13.065 1.00 0.00 C ATOM 1067 C GLU A 67 1.726 -8.165 -13.604 1.00 0.00 C ATOM 1068 O GLU A 67 2.145 -8.822 -14.557 1.00 0.00 O ATOM 1069 CB GLU A 67 -0.640 -8.712 -14.221 1.00 0.00 C ATOM 1070 CG GLU A 67 -1.495 -9.946 -13.986 1.00 0.00 C ATOM 1071 CD GLU A 67 -0.915 -11.189 -14.634 1.00 0.00 C ATOM 1072 OE1 GLU A 67 0.168 -11.633 -14.201 1.00 0.00 O ATOM 1073 OE2 GLU A 67 -1.545 -11.717 -15.574 1.00 0.00 O ATOM 0 H GLU A 67 -0.817 -6.648 -12.827 1.00 0.00 H new ATOM 0 HA GLU A 67 0.354 -9.249 -12.383 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.292 -7.854 -14.386 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.059 -8.851 -15.133 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.598 -10.114 -12.914 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.497 -9.770 -14.378 1.00 0.00 H new ATOM 1080 N ALA A 68 2.459 -7.234 -12.998 1.00 0.00 N ATOM 1081 CA ALA A 68 3.816 -6.937 -13.435 1.00 0.00 C ATOM 1082 C ALA A 68 4.700 -6.469 -12.279 1.00 0.00 C ATOM 1083 O ALA A 68 5.775 -5.915 -12.503 1.00 0.00 O ATOM 1084 CB ALA A 68 3.793 -5.889 -14.537 1.00 0.00 C ATOM 0 H ALA A 68 2.136 -6.676 -12.207 1.00 0.00 H new ATOM 0 HA ALA A 68 4.246 -7.861 -13.822 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.813 -5.674 -14.856 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.219 -6.264 -15.384 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.331 -4.976 -14.161 1.00 0.00 H new ATOM 1090 N VAL A 69 4.251 -6.686 -11.042 1.00 0.00 N ATOM 1091 CA VAL A 69 5.028 -6.270 -9.876 1.00 0.00 C ATOM 1092 C VAL A 69 5.025 -7.340 -8.782 1.00 0.00 C ATOM 1093 O VAL A 69 4.494 -7.127 -7.693 1.00 0.00 O ATOM 1094 CB VAL A 69 4.497 -4.942 -9.295 1.00 0.00 C ATOM 1095 CG1 VAL A 69 4.523 -3.848 -10.352 1.00 0.00 C ATOM 1096 CG2 VAL A 69 3.091 -5.123 -8.739 1.00 0.00 C ATOM 0 H VAL A 69 3.365 -7.142 -10.824 1.00 0.00 H new ATOM 0 HA VAL A 69 6.053 -6.126 -10.219 1.00 0.00 H new ATOM 0 HB VAL A 69 5.150 -4.640 -8.476 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.145 -2.919 -9.924 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.546 -3.699 -10.696 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.896 -4.141 -11.194 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.735 -4.176 -8.334 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.424 -5.451 -9.536 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.106 -5.873 -7.948 1.00 0.00 H new ATOM 1106 N SER A 70 5.624 -8.489 -9.076 1.00 0.00 N ATOM 1107 CA SER A 70 5.683 -9.586 -8.113 1.00 0.00 C ATOM 1108 C SER A 70 6.924 -9.482 -7.226 1.00 0.00 C ATOM 1109 O SER A 70 8.025 -9.223 -7.712 1.00 0.00 O ATOM 1110 CB SER A 70 5.675 -10.930 -8.842 1.00 0.00 C ATOM 1111 OG SER A 70 4.591 -11.012 -9.750 1.00 0.00 O ATOM 0 H SER A 70 6.074 -8.686 -9.970 1.00 0.00 H new ATOM 0 HA SER A 70 4.803 -9.517 -7.474 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.614 -11.061 -9.380 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.607 -11.740 -8.116 1.00 0.00 H new ATOM 0 HG SER A 70 4.610 -11.880 -10.204 1.00 0.00 H new ATOM 1117 N PHE A 71 6.737 -9.690 -5.922 1.00 0.00 N ATOM 1118 CA PHE A 71 7.841 -9.623 -4.968 1.00 0.00 C ATOM 1119 C PHE A 71 7.564 -10.480 -3.740 1.00 0.00 C ATOM 1120 O PHE A 71 6.590 -10.269 -3.019 1.00 0.00 O ATOM 1121 CB PHE A 71 8.113 -8.176 -4.566 1.00 0.00 C ATOM 1122 CG PHE A 71 9.394 -7.644 -5.138 1.00 0.00 C ATOM 1123 CD1 PHE A 71 10.608 -7.935 -4.538 1.00 0.00 C ATOM 1124 CD2 PHE A 71 9.386 -6.862 -6.282 1.00 0.00 C ATOM 1125 CE1 PHE A 71 11.792 -7.455 -5.066 1.00 0.00 C ATOM 1126 CE2 PHE A 71 10.566 -6.377 -6.814 1.00 0.00 C ATOM 1127 CZ PHE A 71 11.771 -6.676 -6.206 1.00 0.00 C ATOM 0 H PHE A 71 5.832 -9.906 -5.504 1.00 0.00 H new ATOM 0 HA PHE A 71 8.731 -10.021 -5.456 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.285 -7.550 -4.898 1.00 0.00 H new ATOM 0 HB3 PHE A 71 8.150 -8.107 -3.479 1.00 0.00 H new ATOM 0 HD1 PHE A 71 10.630 -8.544 -3.647 1.00 0.00 H new ATOM 0 HD2 PHE A 71 8.448 -6.629 -6.763 1.00 0.00 H new ATOM 0 HE1 PHE A 71 12.732 -7.689 -4.588 1.00 0.00 H new ATOM 0 HE2 PHE A 71 10.547 -5.765 -7.704 1.00 0.00 H new ATOM 0 HZ PHE A 71 12.694 -6.301 -6.622 1.00 0.00 H new ATOM 1137 N LEU A 72 8.454 -11.447 -3.529 1.00 0.00 N ATOM 1138 CA LEU A 72 8.400 -12.396 -2.414 1.00 0.00 C ATOM 1139 C LEU A 72 7.542 -11.927 -1.235 1.00 0.00 C ATOM 1140 O LEU A 72 6.751 -12.702 -0.696 1.00 0.00 O ATOM 1141 CB LEU A 72 9.820 -12.652 -1.925 1.00 0.00 C ATOM 1142 CG LEU A 72 10.672 -11.390 -1.796 1.00 0.00 C ATOM 1143 CD1 LEU A 72 10.541 -10.805 -0.395 1.00 0.00 C ATOM 1144 CD2 LEU A 72 12.126 -11.689 -2.122 1.00 0.00 C ATOM 0 H LEU A 72 9.254 -11.598 -4.143 1.00 0.00 H new ATOM 0 HA LEU A 72 7.929 -13.302 -2.794 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.775 -13.148 -0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.311 -13.340 -2.613 1.00 0.00 H new ATOM 0 HG LEU A 72 10.310 -10.652 -2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.153 -9.906 -0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.498 -10.552 -0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.878 -11.538 0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 72 12.716 -10.777 -2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 72 12.506 -12.443 -1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 72 12.201 -12.062 -3.144 1.00 0.00 H new ATOM 1156 N SER A 73 7.711 -10.676 -0.822 1.00 0.00 N ATOM 1157 CA SER A 73 6.954 -10.151 0.313 1.00 0.00 C ATOM 1158 C SER A 73 6.679 -8.659 0.174 1.00 0.00 C ATOM 1159 O SER A 73 6.964 -8.056 -0.859 1.00 0.00 O ATOM 1160 CB SER A 73 7.708 -10.418 1.617 1.00 0.00 C ATOM 1161 OG SER A 73 6.909 -10.102 2.742 1.00 0.00 O ATOM 0 H SER A 73 8.357 -10.012 -1.249 1.00 0.00 H new ATOM 0 HA SER A 73 5.994 -10.666 0.331 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.005 -11.466 1.661 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.623 -9.826 1.639 1.00 0.00 H new ATOM 0 HG SER A 73 7.413 -10.283 3.563 1.00 0.00 H new ATOM 1167 N LEU A 74 6.115 -8.075 1.230 1.00 0.00 N ATOM 1168 CA LEU A 74 5.786 -6.654 1.242 1.00 0.00 C ATOM 1169 C LEU A 74 7.037 -5.782 1.216 1.00 0.00 C ATOM 1170 O LEU A 74 7.232 -5.000 0.289 1.00 0.00 O ATOM 1171 CB LEU A 74 4.967 -6.304 2.467 1.00 0.00 C ATOM 1172 CG LEU A 74 3.474 -6.543 2.315 1.00 0.00 C ATOM 1173 CD1 LEU A 74 2.759 -6.086 3.567 1.00 0.00 C ATOM 1174 CD2 LEU A 74 2.945 -5.820 1.079 1.00 0.00 C ATOM 0 H LEU A 74 5.876 -8.568 2.091 1.00 0.00 H new ATOM 0 HA LEU A 74 5.205 -6.457 0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.332 -6.888 3.312 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.131 -5.254 2.711 1.00 0.00 H new ATOM 0 HG LEU A 74 3.288 -7.608 2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.688 -6.258 3.458 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.131 -6.648 4.424 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.942 -5.023 3.723 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.874 -6.000 0.983 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.125 -4.750 1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.457 -6.193 0.192 1.00 0.00 H new ATOM 1186 N PRO A 75 7.907 -5.896 2.244 1.00 0.00 N ATOM 1187 CA PRO A 75 9.137 -5.112 2.331 1.00 0.00 C ATOM 1188 C PRO A 75 9.842 -5.020 0.988 1.00 0.00 C ATOM 1189 O PRO A 75 10.417 -3.990 0.639 1.00 0.00 O ATOM 1190 CB PRO A 75 9.998 -5.882 3.349 1.00 0.00 C ATOM 1191 CG PRO A 75 9.201 -7.087 3.744 1.00 0.00 C ATOM 1192 CD PRO A 75 7.770 -6.789 3.398 1.00 0.00 C ATOM 0 HA PRO A 75 8.945 -4.081 2.629 1.00 0.00 H new ATOM 0 HB2 PRO A 75 10.952 -6.173 2.910 1.00 0.00 H new ATOM 0 HB3 PRO A 75 10.222 -5.262 4.217 1.00 0.00 H new ATOM 0 HG2 PRO A 75 9.551 -7.973 3.215 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.308 -7.289 4.810 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.215 -7.693 3.149 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.244 -6.309 4.223 1.00 0.00 H new ATOM 1200 N GLU A 76 9.769 -6.105 0.227 1.00 0.00 N ATOM 1201 CA GLU A 76 10.378 -6.149 -1.090 1.00 0.00 C ATOM 1202 C GLU A 76 9.366 -5.738 -2.151 1.00 0.00 C ATOM 1203 O GLU A 76 9.734 -5.199 -3.195 1.00 0.00 O ATOM 1204 CB GLU A 76 10.924 -7.544 -1.384 1.00 0.00 C ATOM 1205 CG GLU A 76 11.775 -8.111 -0.258 1.00 0.00 C ATOM 1206 CD GLU A 76 12.847 -7.145 0.210 1.00 0.00 C ATOM 1207 OE1 GLU A 76 12.490 -6.053 0.698 1.00 0.00 O ATOM 1208 OE2 GLU A 76 14.044 -7.482 0.087 1.00 0.00 O ATOM 0 H GLU A 76 9.293 -6.964 0.502 1.00 0.00 H new ATOM 0 HA GLU A 76 11.211 -5.446 -1.111 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.090 -8.220 -1.574 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.519 -7.508 -2.296 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.132 -8.369 0.583 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.246 -9.035 -0.594 1.00 0.00 H new ATOM 1215 N LEU A 77 8.081 -5.973 -1.873 1.00 0.00 N ATOM 1216 CA LEU A 77 7.032 -5.599 -2.808 1.00 0.00 C ATOM 1217 C LEU A 77 6.935 -4.080 -2.886 1.00 0.00 C ATOM 1218 O LEU A 77 6.811 -3.509 -3.971 1.00 0.00 O ATOM 1219 CB LEU A 77 5.691 -6.211 -2.383 1.00 0.00 C ATOM 1220 CG LEU A 77 4.432 -5.528 -2.933 1.00 0.00 C ATOM 1221 CD1 LEU A 77 4.071 -4.311 -2.089 1.00 0.00 C ATOM 1222 CD2 LEU A 77 4.617 -5.139 -4.397 1.00 0.00 C ATOM 0 H LEU A 77 7.750 -6.416 -1.016 1.00 0.00 H new ATOM 0 HA LEU A 77 7.278 -5.986 -3.797 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.677 -7.256 -2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.639 -6.201 -1.294 1.00 0.00 H new ATOM 0 HG LEU A 77 3.608 -6.239 -2.878 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.176 -3.840 -2.494 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.883 -4.623 -1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.896 -3.598 -2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.710 -4.657 -4.763 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.456 -4.449 -4.487 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.817 -6.033 -4.988 1.00 0.00 H new ATOM 1234 N VAL A 78 7.016 -3.430 -1.730 1.00 0.00 N ATOM 1235 CA VAL A 78 6.963 -1.980 -1.672 1.00 0.00 C ATOM 1236 C VAL A 78 8.287 -1.397 -2.156 1.00 0.00 C ATOM 1237 O VAL A 78 8.318 -0.350 -2.803 1.00 0.00 O ATOM 1238 CB VAL A 78 6.654 -1.473 -0.243 1.00 0.00 C ATOM 1239 CG1 VAL A 78 6.843 0.036 -0.138 1.00 0.00 C ATOM 1240 CG2 VAL A 78 5.236 -1.856 0.161 1.00 0.00 C ATOM 0 H VAL A 78 7.118 -3.887 -0.824 1.00 0.00 H new ATOM 0 HA VAL A 78 6.154 -1.648 -2.322 1.00 0.00 H new ATOM 0 HB VAL A 78 7.358 -1.949 0.440 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.618 0.361 0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.874 0.291 -0.381 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.172 0.536 -0.836 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.034 -1.492 1.168 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.526 -1.409 -0.535 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.132 -2.941 0.139 1.00 0.00 H new ATOM 1250 N ASN A 79 9.381 -2.096 -1.852 1.00 0.00 N ATOM 1251 CA ASN A 79 10.710 -1.660 -2.270 1.00 0.00 C ATOM 1252 C ASN A 79 10.705 -1.293 -3.749 1.00 0.00 C ATOM 1253 O ASN A 79 11.177 -0.226 -4.139 1.00 0.00 O ATOM 1254 CB ASN A 79 11.740 -2.760 -2.006 1.00 0.00 C ATOM 1255 CG ASN A 79 13.152 -2.324 -2.342 1.00 0.00 C ATOM 1256 OD1 ASN A 79 13.514 -1.161 -2.162 1.00 0.00 O ATOM 1257 ND2 ASN A 79 13.959 -3.258 -2.832 1.00 0.00 N ATOM 0 H ASN A 79 9.371 -2.965 -1.318 1.00 0.00 H new ATOM 0 HA ASN A 79 10.983 -0.779 -1.690 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.693 -3.053 -0.957 1.00 0.00 H new ATOM 0 HB3 ASN A 79 11.485 -3.641 -2.595 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.921 -3.024 -3.076 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.616 -4.210 -2.965 1.00 0.00 H new ATOM 1264 N TYR A 80 10.143 -2.180 -4.565 1.00 0.00 N ATOM 1265 CA TYR A 80 10.047 -1.944 -5.997 1.00 0.00 C ATOM 1266 C TYR A 80 9.060 -0.815 -6.262 1.00 0.00 C ATOM 1267 O TYR A 80 9.250 -0.003 -7.166 1.00 0.00 O ATOM 1268 CB TYR A 80 9.601 -3.218 -6.719 1.00 0.00 C ATOM 1269 CG TYR A 80 9.388 -3.037 -8.205 1.00 0.00 C ATOM 1270 CD1 TYR A 80 8.207 -2.497 -8.697 1.00 0.00 C ATOM 1271 CD2 TYR A 80 10.369 -3.410 -9.117 1.00 0.00 C ATOM 1272 CE1 TYR A 80 8.008 -2.332 -10.055 1.00 0.00 C ATOM 1273 CE2 TYR A 80 10.177 -3.248 -10.476 1.00 0.00 C ATOM 1274 CZ TYR A 80 8.996 -2.708 -10.939 1.00 0.00 C ATOM 1275 OH TYR A 80 8.802 -2.546 -12.292 1.00 0.00 O ATOM 0 H TYR A 80 9.748 -3.068 -4.256 1.00 0.00 H new ATOM 0 HA TYR A 80 11.028 -1.660 -6.378 1.00 0.00 H new ATOM 0 HB2 TYR A 80 10.350 -3.994 -6.561 1.00 0.00 H new ATOM 0 HB3 TYR A 80 8.674 -3.573 -6.269 1.00 0.00 H new ATOM 0 HD1 TYR A 80 7.431 -2.201 -8.007 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.296 -3.833 -8.758 1.00 0.00 H new ATOM 0 HE1 TYR A 80 7.083 -1.911 -10.421 1.00 0.00 H new ATOM 0 HE2 TYR A 80 10.948 -3.543 -11.172 1.00 0.00 H new ATOM 0 HH TYR A 80 9.594 -2.859 -12.776 1.00 0.00 H new ATOM 1285 N HIS A 81 8.012 -0.765 -5.444 1.00 0.00 N ATOM 1286 CA HIS A 81 6.998 0.272 -5.562 1.00 0.00 C ATOM 1287 C HIS A 81 7.612 1.638 -5.276 1.00 0.00 C ATOM 1288 O HIS A 81 7.160 2.656 -5.800 1.00 0.00 O ATOM 1289 CB HIS A 81 5.851 0.011 -4.580 1.00 0.00 C ATOM 1290 CG HIS A 81 4.766 -0.868 -5.120 1.00 0.00 C ATOM 1291 ND1 HIS A 81 4.970 -1.787 -6.122 1.00 0.00 N ATOM 1292 CD2 HIS A 81 3.455 -0.962 -4.786 1.00 0.00 C ATOM 1293 CE1 HIS A 81 3.835 -2.408 -6.387 1.00 0.00 C ATOM 1294 NE2 HIS A 81 2.900 -1.926 -5.590 1.00 0.00 N ATOM 0 H HIS A 81 7.845 -1.433 -4.692 1.00 0.00 H new ATOM 0 HA HIS A 81 6.606 0.258 -6.579 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.258 -0.446 -3.678 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.416 0.966 -4.285 1.00 0.00 H new ATOM 0 HD1 HIS A 81 5.860 -1.962 -6.588 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.943 -0.386 -4.029 1.00 0.00 H new ATOM 0 HE1 HIS A 81 3.696 -3.179 -7.130 1.00 0.00 H new ATOM 1303 N ARG A 82 8.643 1.651 -4.431 1.00 0.00 N ATOM 1304 CA ARG A 82 9.314 2.892 -4.064 1.00 0.00 C ATOM 1305 C ARG A 82 10.325 3.298 -5.114 1.00 0.00 C ATOM 1306 O ARG A 82 10.508 4.479 -5.400 1.00 0.00 O ATOM 1307 CB ARG A 82 9.986 2.756 -2.692 1.00 0.00 C ATOM 1308 CG ARG A 82 10.951 3.887 -2.352 1.00 0.00 C ATOM 1309 CD ARG A 82 11.855 3.516 -1.188 1.00 0.00 C ATOM 1310 NE ARG A 82 13.225 3.250 -1.621 1.00 0.00 N ATOM 1311 CZ ARG A 82 14.207 2.885 -0.799 1.00 0.00 C ATOM 1312 NH1 ARG A 82 13.974 2.744 0.500 1.00 0.00 N ATOM 1313 NH2 ARG A 82 15.423 2.660 -1.277 1.00 0.00 N ATOM 0 H ARG A 82 9.029 0.816 -3.990 1.00 0.00 H new ATOM 0 HA ARG A 82 8.560 3.676 -4.004 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.213 2.710 -1.925 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.526 1.810 -2.657 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.559 4.123 -3.225 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.387 4.786 -2.104 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.856 4.325 -0.458 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.456 2.635 -0.686 1.00 0.00 H new ATOM 0 HE ARG A 82 13.442 3.350 -2.613 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.040 2.915 0.872 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.729 2.464 1.126 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.607 2.766 -2.275 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.175 2.380 -0.647 1.00 0.00 H new ATOM 1327 N ALA A 83 10.968 2.318 -5.690 1.00 0.00 N ATOM 1328 CA ALA A 83 11.945 2.581 -6.722 1.00 0.00 C ATOM 1329 C ALA A 83 11.227 2.961 -8.006 1.00 0.00 C ATOM 1330 O ALA A 83 11.315 4.094 -8.478 1.00 0.00 O ATOM 1331 CB ALA A 83 12.834 1.364 -6.940 1.00 0.00 C ATOM 0 H ALA A 83 10.836 1.332 -5.466 1.00 0.00 H new ATOM 0 HA ALA A 83 12.584 3.408 -6.412 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.563 1.581 -7.721 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.355 1.123 -6.013 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.221 0.515 -7.242 1.00 0.00 H new ATOM 1337 N GLN A 84 10.504 1.996 -8.551 1.00 0.00 N ATOM 1338 CA GLN A 84 9.740 2.196 -9.775 1.00 0.00 C ATOM 1339 C GLN A 84 8.267 2.479 -9.491 1.00 0.00 C ATOM 1340 O GLN A 84 7.635 1.780 -8.699 1.00 0.00 O ATOM 1341 CB GLN A 84 9.871 0.975 -10.688 1.00 0.00 C ATOM 1342 CG GLN A 84 11.010 1.083 -11.689 1.00 0.00 C ATOM 1343 CD GLN A 84 10.525 1.386 -13.093 1.00 0.00 C ATOM 1344 OE1 GLN A 84 10.055 2.487 -13.377 1.00 0.00 O ATOM 1345 NE2 GLN A 84 10.637 0.405 -13.981 1.00 0.00 N ATOM 0 H GLN A 84 10.429 1.056 -8.161 1.00 0.00 H new ATOM 0 HA GLN A 84 10.154 3.071 -10.276 1.00 0.00 H new ATOM 0 HB2 GLN A 84 10.021 0.087 -10.074 1.00 0.00 H new ATOM 0 HB3 GLN A 84 8.935 0.834 -11.229 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.697 1.866 -11.369 1.00 0.00 H new ATOM 0 HG3 GLN A 84 11.572 0.149 -11.696 1.00 0.00 H new ATOM 0 HE21 GLN A 84 11.033 -0.493 -13.702 1.00 0.00 H new ATOM 0 HE22 GLN A 84 10.327 0.549 -14.942 1.00 0.00 H new ATOM 1354 N SER A 85 7.714 3.474 -10.174 1.00 0.00 N ATOM 1355 CA SER A 85 6.300 3.807 -10.026 1.00 0.00 C ATOM 1356 C SER A 85 5.490 3.125 -11.131 1.00 0.00 C ATOM 1357 O SER A 85 4.468 3.648 -11.575 1.00 0.00 O ATOM 1358 CB SER A 85 6.086 5.322 -10.081 1.00 0.00 C ATOM 1359 OG SER A 85 7.274 5.994 -10.461 1.00 0.00 O ATOM 0 H SER A 85 8.220 4.064 -10.834 1.00 0.00 H new ATOM 0 HA SER A 85 5.961 3.450 -9.054 1.00 0.00 H new ATOM 0 HB2 SER A 85 5.291 5.554 -10.790 1.00 0.00 H new ATOM 0 HB3 SER A 85 5.758 5.681 -9.106 1.00 0.00 H new ATOM 0 HG SER A 85 7.073 6.935 -10.645 1.00 0.00 H new ATOM 1365 N LEU A 86 5.980 1.963 -11.582 1.00 0.00 N ATOM 1366 CA LEU A 86 5.346 1.185 -12.655 1.00 0.00 C ATOM 1367 C LEU A 86 3.848 1.463 -12.778 1.00 0.00 C ATOM 1368 O LEU A 86 3.424 2.250 -13.625 1.00 0.00 O ATOM 1369 CB LEU A 86 5.584 -0.312 -12.425 1.00 0.00 C ATOM 1370 CG LEU A 86 4.934 -1.241 -13.456 1.00 0.00 C ATOM 1371 CD1 LEU A 86 5.980 -2.138 -14.102 1.00 0.00 C ATOM 1372 CD2 LEU A 86 3.838 -2.078 -12.811 1.00 0.00 C ATOM 0 H LEU A 86 6.829 1.535 -11.213 1.00 0.00 H new ATOM 0 HA LEU A 86 5.807 1.496 -13.593 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.658 -0.496 -12.420 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.210 -0.575 -11.435 1.00 0.00 H new ATOM 0 HG LEU A 86 4.481 -0.625 -14.233 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.500 -2.790 -14.831 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.728 -1.523 -14.603 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.463 -2.744 -13.336 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.390 -2.730 -13.560 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.265 -2.683 -12.012 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.073 -1.420 -12.398 1.00 0.00 H new ATOM 1384 N SER A 87 3.052 0.817 -11.936 1.00 0.00 N ATOM 1385 CA SER A 87 1.608 1.002 -11.964 1.00 0.00 C ATOM 1386 C SER A 87 1.065 1.205 -10.557 1.00 0.00 C ATOM 1387 O SER A 87 0.030 0.646 -10.192 1.00 0.00 O ATOM 1388 CB SER A 87 0.930 -0.204 -12.618 1.00 0.00 C ATOM 1389 OG SER A 87 1.028 -0.140 -14.031 1.00 0.00 O ATOM 0 H SER A 87 3.381 0.162 -11.227 1.00 0.00 H new ATOM 0 HA SER A 87 1.389 1.893 -12.553 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.392 -1.124 -12.260 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.119 -0.239 -12.324 1.00 0.00 H new ATOM 0 HG SER A 87 0.589 -0.922 -14.425 1.00 0.00 H new ATOM 1395 N HIS A 88 1.767 2.009 -9.765 1.00 0.00 N ATOM 1396 CA HIS A 88 1.347 2.280 -8.399 1.00 0.00 C ATOM 1397 C HIS A 88 1.310 3.777 -8.128 1.00 0.00 C ATOM 1398 O HIS A 88 2.034 4.550 -8.753 1.00 0.00 O ATOM 1399 CB HIS A 88 2.278 1.582 -7.405 1.00 0.00 C ATOM 1400 CG HIS A 88 1.901 1.814 -5.977 1.00 0.00 C ATOM 1401 ND1 HIS A 88 1.312 0.851 -5.186 1.00 0.00 N ATOM 1402 CD2 HIS A 88 2.024 2.915 -5.199 1.00 0.00 C ATOM 1403 CE1 HIS A 88 1.088 1.350 -3.984 1.00 0.00 C ATOM 1404 NE2 HIS A 88 1.512 2.598 -3.966 1.00 0.00 N ATOM 0 H HIS A 88 2.626 2.482 -10.046 1.00 0.00 H new ATOM 0 HA HIS A 88 0.339 1.886 -8.270 1.00 0.00 H new ATOM 0 HB2 HIS A 88 2.274 0.511 -7.605 1.00 0.00 H new ATOM 0 HB3 HIS A 88 3.298 1.932 -7.566 1.00 0.00 H new ATOM 0 HD1 HIS A 88 1.085 -0.098 -5.483 1.00 0.00 H new ATOM 0 HD2 HIS A 88 2.446 3.865 -5.493 1.00 0.00 H new ATOM 0 HE1 HIS A 88 0.634 0.825 -3.156 1.00 0.00 H new ATOM 1413 N GLY A 89 0.453 4.177 -7.196 1.00 0.00 N ATOM 1414 CA GLY A 89 0.324 5.580 -6.859 1.00 0.00 C ATOM 1415 C GLY A 89 1.628 6.189 -6.386 1.00 0.00 C ATOM 1416 O GLY A 89 1.904 6.233 -5.187 1.00 0.00 O ATOM 0 H GLY A 89 -0.156 3.552 -6.667 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.033 6.128 -7.731 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.430 5.695 -6.080 1.00 0.00 H new ATOM 1420 N LEU A 90 2.431 6.659 -7.335 1.00 0.00 N ATOM 1421 CA LEU A 90 3.717 7.273 -7.024 1.00 0.00 C ATOM 1422 C LEU A 90 4.676 6.257 -6.421 1.00 0.00 C ATOM 1423 O LEU A 90 4.321 5.098 -6.208 1.00 0.00 O ATOM 1424 CB LEU A 90 3.548 8.444 -6.046 1.00 0.00 C ATOM 1425 CG LEU A 90 2.640 9.586 -6.512 1.00 0.00 C ATOM 1426 CD1 LEU A 90 3.015 10.878 -5.801 1.00 0.00 C ATOM 1427 CD2 LEU A 90 2.714 9.768 -8.021 1.00 0.00 C ATOM 0 H LEU A 90 2.212 6.626 -8.331 1.00 0.00 H new ATOM 0 HA LEU A 90 4.130 7.645 -7.961 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.154 8.053 -5.108 1.00 0.00 H new ATOM 0 HB3 LEU A 90 4.534 8.856 -5.830 1.00 0.00 H new ATOM 0 HG LEU A 90 1.612 9.328 -6.257 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.363 11.683 -6.140 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.901 10.748 -4.725 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.051 11.131 -6.028 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.059 10.586 -8.321 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.739 10.000 -8.310 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.397 8.849 -8.514 1.00 0.00 H new ATOM 1439 N ARG A 91 5.891 6.709 -6.141 1.00 0.00 N ATOM 1440 CA ARG A 91 6.908 5.855 -5.551 1.00 0.00 C ATOM 1441 C ARG A 91 6.790 5.860 -4.029 1.00 0.00 C ATOM 1442 O ARG A 91 7.085 6.861 -3.377 1.00 0.00 O ATOM 1443 CB ARG A 91 8.299 6.327 -5.974 1.00 0.00 C ATOM 1444 CG ARG A 91 8.602 6.102 -7.446 1.00 0.00 C ATOM 1445 CD ARG A 91 9.850 6.854 -7.880 1.00 0.00 C ATOM 1446 NE ARG A 91 9.538 7.967 -8.774 1.00 0.00 N ATOM 1447 CZ ARG A 91 9.572 7.890 -10.105 1.00 0.00 C ATOM 1448 NH1 ARG A 91 9.898 6.753 -10.708 1.00 0.00 N ATOM 1449 NH2 ARG A 91 9.276 8.956 -10.835 1.00 0.00 N ATOM 0 H ARG A 91 6.195 7.667 -6.315 1.00 0.00 H new ATOM 0 HA ARG A 91 6.758 4.836 -5.907 1.00 0.00 H new ATOM 0 HB2 ARG A 91 8.395 7.390 -5.751 1.00 0.00 H new ATOM 0 HB3 ARG A 91 9.047 5.807 -5.375 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.735 5.036 -7.632 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.753 6.427 -8.047 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.370 7.232 -6.999 1.00 0.00 H new ATOM 0 HD3 ARG A 91 10.531 6.166 -8.382 1.00 0.00 H new ATOM 0 HE ARG A 91 9.278 8.859 -8.354 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.125 5.928 -10.153 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.921 6.704 -11.727 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.023 9.832 -10.379 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.301 8.900 -11.853 1.00 0.00 H new ATOM 1463 N LEU A 92 6.349 4.733 -3.472 1.00 0.00 N ATOM 1464 CA LEU A 92 6.178 4.592 -2.022 1.00 0.00 C ATOM 1465 C LEU A 92 7.335 5.216 -1.257 1.00 0.00 C ATOM 1466 O LEU A 92 8.421 4.646 -1.161 1.00 0.00 O ATOM 1467 CB LEU A 92 5.999 3.128 -1.668 1.00 0.00 C ATOM 1468 CG LEU A 92 4.817 2.488 -2.385 1.00 0.00 C ATOM 1469 CD1 LEU A 92 4.632 1.039 -1.967 1.00 0.00 C ATOM 1470 CD2 LEU A 92 3.550 3.288 -2.132 1.00 0.00 C ATOM 0 H LEU A 92 6.102 3.899 -4.004 1.00 0.00 H new ATOM 0 HA LEU A 92 5.281 5.134 -1.724 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.909 2.584 -1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.859 3.034 -0.591 1.00 0.00 H new ATOM 0 HG LEU A 92 5.028 2.496 -3.454 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.780 0.613 -2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.531 0.473 -2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.452 0.990 -0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.714 2.819 -2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.344 3.315 -1.062 1.00 0.00 H new ATOM 0 HD23 LEU A 92 3.682 4.305 -2.502 1.00 0.00 H new ATOM 1482 N ALA A 93 7.088 6.412 -0.740 1.00 0.00 N ATOM 1483 CA ALA A 93 8.105 7.165 -0.003 1.00 0.00 C ATOM 1484 C ALA A 93 7.811 7.261 1.497 1.00 0.00 C ATOM 1485 O ALA A 93 8.519 6.671 2.312 1.00 0.00 O ATOM 1486 CB ALA A 93 8.245 8.560 -0.592 1.00 0.00 C ATOM 0 H ALA A 93 6.189 6.887 -0.816 1.00 0.00 H new ATOM 0 HA ALA A 93 9.041 6.616 -0.108 1.00 0.00 H new ATOM 0 HB1 ALA A 93 9.003 9.114 -0.039 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.542 8.485 -1.638 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.291 9.082 -0.522 1.00 0.00 H new ATOM 1492 N ALA A 94 6.779 8.023 1.857 1.00 0.00 N ATOM 1493 CA ALA A 94 6.421 8.206 3.264 1.00 0.00 C ATOM 1494 C ALA A 94 5.377 7.194 3.729 1.00 0.00 C ATOM 1495 O ALA A 94 4.862 6.407 2.938 1.00 0.00 O ATOM 1496 CB ALA A 94 5.916 9.623 3.493 1.00 0.00 C ATOM 0 H ALA A 94 6.179 8.521 1.199 1.00 0.00 H new ATOM 0 HA ALA A 94 7.321 8.039 3.855 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.652 9.750 4.543 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.697 10.335 3.227 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.037 9.800 2.874 1.00 0.00 H new ATOM 1502 N PRO A 95 5.062 7.196 5.039 1.00 0.00 N ATOM 1503 CA PRO A 95 4.095 6.287 5.638 1.00 0.00 C ATOM 1504 C PRO A 95 2.716 6.919 5.807 1.00 0.00 C ATOM 1505 O PRO A 95 2.561 8.135 5.698 1.00 0.00 O ATOM 1506 CB PRO A 95 4.724 6.030 7.003 1.00 0.00 C ATOM 1507 CG PRO A 95 5.416 7.315 7.355 1.00 0.00 C ATOM 1508 CD PRO A 95 5.642 8.075 6.063 1.00 0.00 C ATOM 0 HA PRO A 95 3.918 5.399 5.031 1.00 0.00 H new ATOM 0 HB2 PRO A 95 3.968 5.772 7.745 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.429 5.199 6.964 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.809 7.902 8.045 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.364 7.116 7.855 1.00 0.00 H new ATOM 0 HD2 PRO A 95 5.152 9.049 6.080 1.00 0.00 H new ATOM 0 HD3 PRO A 95 6.702 8.254 5.884 1.00 0.00 H new ATOM 1516 N CYS A 96 1.721 6.083 6.088 1.00 0.00 N ATOM 1517 CA CYS A 96 0.355 6.555 6.288 1.00 0.00 C ATOM 1518 C CYS A 96 0.175 7.106 7.702 1.00 0.00 C ATOM 1519 O CYS A 96 0.900 6.725 8.621 1.00 0.00 O ATOM 1520 CB CYS A 96 -0.637 5.417 6.043 1.00 0.00 C ATOM 1521 SG CYS A 96 -2.281 5.966 5.532 1.00 0.00 S ATOM 0 H CYS A 96 1.835 5.074 6.182 1.00 0.00 H new ATOM 0 HA CYS A 96 0.162 7.357 5.576 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -0.232 4.756 5.277 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -0.730 4.828 6.955 1.00 0.00 H new ATOM 0 HG CYS A 96 -2.401 7.241 5.753 1.00 0.00 H new ATOM 1527 N ARG A 97 -0.793 8.004 7.871 1.00 0.00 N ATOM 1528 CA ARG A 97 -1.058 8.602 9.177 1.00 0.00 C ATOM 1529 C ARG A 97 -2.546 8.893 9.360 1.00 0.00 C ATOM 1530 O ARG A 97 -3.204 9.400 8.452 1.00 0.00 O ATOM 1531 CB ARG A 97 -0.252 9.892 9.341 1.00 0.00 C ATOM 1532 CG ARG A 97 1.044 9.705 10.113 1.00 0.00 C ATOM 1533 CD ARG A 97 1.553 11.021 10.680 1.00 0.00 C ATOM 1534 NE ARG A 97 0.497 11.775 11.352 1.00 0.00 N ATOM 1535 CZ ARG A 97 -0.037 11.424 12.520 1.00 0.00 C ATOM 1536 NH1 ARG A 97 0.385 10.335 13.150 1.00 0.00 N ATOM 1537 NH2 ARG A 97 -0.996 12.165 13.059 1.00 0.00 N ATOM 0 H ARG A 97 -1.404 8.332 7.123 1.00 0.00 H new ATOM 0 HA ARG A 97 -0.753 7.887 9.941 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -0.023 10.295 8.355 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -0.867 10.632 9.853 1.00 0.00 H new ATOM 0 HG2 ARG A 97 0.885 8.996 10.925 1.00 0.00 H new ATOM 0 HG3 ARG A 97 1.800 9.274 9.457 1.00 0.00 H new ATOM 0 HD2 ARG A 97 2.361 10.823 11.384 1.00 0.00 H new ATOM 0 HD3 ARG A 97 1.972 11.624 9.875 1.00 0.00 H new ATOM 0 HE ARG A 97 0.148 12.620 10.900 1.00 0.00 H new ATOM 0 HH11 ARG A 97 1.122 9.762 12.740 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -0.028 10.071 14.045 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -1.324 13.003 12.579 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -1.406 11.897 13.954 1.00 0.00 H new ATOM 1551 N LYS A 98 -3.067 8.574 10.543 1.00 0.00 N ATOM 1552 CA LYS A 98 -4.478 8.806 10.848 1.00 0.00 C ATOM 1553 C LYS A 98 -4.631 9.742 12.043 1.00 0.00 C ATOM 1554 O LYS A 98 -3.645 10.209 12.611 1.00 0.00 O ATOM 1555 CB LYS A 98 -5.194 7.482 11.135 1.00 0.00 C ATOM 1556 CG LYS A 98 -4.579 6.684 12.272 1.00 0.00 C ATOM 1557 CD LYS A 98 -4.709 5.188 12.034 1.00 0.00 C ATOM 1558 CE LYS A 98 -6.165 4.765 11.912 1.00 0.00 C ATOM 1559 NZ LYS A 98 -6.814 4.618 13.244 1.00 0.00 N ATOM 0 H LYS A 98 -2.535 8.155 11.305 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.933 9.275 9.975 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.238 7.689 11.372 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.187 6.873 10.231 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.526 6.947 12.375 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.067 6.948 13.210 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -4.173 4.916 11.125 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.240 4.646 12.855 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.709 5.503 11.322 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.224 3.820 11.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.460 3.803 13.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -6.085 4.467 13.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -7.351 5.481 13.466 1.00 0.00 H new ATOM 1573 N HIS A 99 -5.878 10.009 12.421 1.00 0.00 N ATOM 1574 CA HIS A 99 -6.167 10.885 13.550 1.00 0.00 C ATOM 1575 C HIS A 99 -6.492 10.070 14.798 1.00 0.00 C ATOM 1576 O HIS A 99 -7.291 10.489 15.636 1.00 0.00 O ATOM 1577 CB HIS A 99 -7.337 11.814 13.216 1.00 0.00 C ATOM 1578 CG HIS A 99 -6.970 12.930 12.288 1.00 0.00 C ATOM 1579 ND1 HIS A 99 -7.831 13.429 11.334 1.00 0.00 N ATOM 1580 CD2 HIS A 99 -5.827 13.647 12.173 1.00 0.00 C ATOM 1581 CE1 HIS A 99 -7.234 14.403 10.671 1.00 0.00 C ATOM 1582 NE2 HIS A 99 -6.017 14.556 11.161 1.00 0.00 N ATOM 0 H HIS A 99 -6.705 9.630 11.960 1.00 0.00 H new ATOM 0 HA HIS A 99 -5.280 11.486 13.749 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -8.139 11.228 12.767 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -7.730 12.236 14.141 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -4.933 13.527 12.766 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -7.667 14.977 9.865 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -5.330 15.238 10.840 1.00 0.00 H new ATOM 1591 N GLU A 100 -5.867 8.903 14.912 1.00 0.00 N ATOM 1592 CA GLU A 100 -6.089 8.025 16.056 1.00 0.00 C ATOM 1593 C GLU A 100 -4.766 7.625 16.700 1.00 0.00 C ATOM 1594 O GLU A 100 -3.790 7.399 15.954 1.00 0.00 O ATOM 1595 CB GLU A 100 -6.856 6.775 15.621 1.00 0.00 C ATOM 1596 CG GLU A 100 -7.409 5.965 16.783 1.00 0.00 C ATOM 1597 CD GLU A 100 -6.746 4.609 16.919 1.00 0.00 C ATOM 1598 OE1 GLU A 100 -6.846 3.801 15.971 1.00 0.00 O ATOM 1599 OE2 GLU A 100 -6.125 4.355 17.972 1.00 0.00 O ATOM 1600 OXT GLU A 100 -4.717 7.540 17.945 1.00 0.00 O ATOM 0 H GLU A 100 -5.203 8.543 14.227 1.00 0.00 H new ATOM 0 HA GLU A 100 -6.680 8.570 16.792 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -7.679 7.072 14.972 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -6.196 6.141 15.029 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -7.274 6.525 17.708 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.482 5.828 16.647 1.00 0.00 H new TER 1607 GLU A 100