USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 956 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 14 THR OG1 : rot 79:sc= 1.39 USER MOD Set 1.2: A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 23 TYR OH : rot 165:sc= 0.95 USER MOD Set 2.2: A 35 GLN : amide:sc= 0.23 X(o=1.2,f=0.91) USER MOD Set 3.1: A 1 ALA N :NH3+ 130:sc= 1.52 (180deg=0.623) USER MOD Set 3.2: A 76 TYR OH : rot -140:sc= -2.6! USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -166:sc= -0.0912 (180deg=-0.365) USER MOD Single : A 12 LYS NZ :NH3+ 167:sc= 1.27 (180deg=1.09) USER MOD Single : A 13 ASN : amide:sc= -8.56! C(o=-8.6!,f=-12!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -1.2 K(o=-1.2,f=-2!) USER MOD Single : A 24 HIS : no HE2:sc= -4.63! C(o=-4.6!,f=-7.5!) USER MOD Single : A 27 SER OG : rot 42:sc= -0.866! USER MOD Single : A 29 ASN :FLIP amide:sc= -0.233 F(o=-1.6!,f=-0.23) USER MOD Single : A 30 THR OG1 : rot -161:sc= -1.52 USER MOD Single : A 31 ASN : amide:sc= -0.256 K(o=-0.26,f=-3.1!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.219 X(o=-0.22,f=-0.065) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.433 USER MOD Single : A 46 LYS NZ :NH3+ -163:sc= -0.0493 (180deg=-0.423) USER MOD Single : A 48 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0144) USER MOD Single : A 52 THR OG1 : rot -59:sc= 1.03 USER MOD Single : A 55 SER OG : rot -15:sc= 0.571 USER MOD Single : A 58 ASN : amide:sc= -2.41! C(o=-2.4!,f=-8!) USER MOD Single : A 63 GLN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 67 MET CE :methyl -166:sc= -0.029 (180deg=-0.282) USER MOD Single : A 68 LYS NZ :NH3+ -170:sc= 1.28 (180deg=1.21) USER MOD Single : A 71 THR OG1 : rot 120:sc= 1.26 USER MOD Single : A 81 LYS NZ :NH3+ 154:sc= 0.155 (180deg=-1.55!) USER MOD Single : A 82 HIS : no HE2:sc= -1.37! C(o=-1.4!,f=-6.9!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= -0.0343 USER MOD Single : A 92 SER OG : rot 130:sc= -3.7! USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -172:sc=-0.00203 (180deg=-0.0912) USER MOD Single : A 102 MET CE :methyl -161:sc= -0.116 (180deg=-0.562) USER MOD Single : A 108 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 111 ASN :FLIP amide:sc= -1.98! C(o=-3.3!,f=-2!) USER MOD Single : A 112 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.1) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 16.605 -3.207 -0.745 1.00 6.29 N ATOM 2 CA ALA A 1 16.817 -2.101 0.215 1.00 5.64 C ATOM 3 C ALA A 1 17.879 -2.484 1.245 1.00 5.66 C ATOM 4 O ALA A 1 17.570 -2.722 2.413 1.00 5.80 O ATOM 5 CB ALA A 1 15.504 -1.725 0.895 1.00 5.37 C ATOM 0 H1 ALA A 1 15.587 -3.406 -0.826 1.00 6.29 H new ATOM 0 H2 ALA A 1 16.980 -2.935 -1.676 1.00 6.29 H new ATOM 0 H3 ALA A 1 17.099 -4.058 -0.408 1.00 6.29 H new ATOM 0 HA ALA A 1 17.176 -1.229 -0.332 1.00 5.64 H new ATOM 0 HB1 ALA A 1 15.678 -0.910 1.598 1.00 5.37 H new ATOM 0 HB2 ALA A 1 14.783 -1.407 0.142 1.00 5.37 H new ATOM 0 HB3 ALA A 1 15.112 -2.589 1.431 1.00 5.37 H new ATOM 13 N MET A 2 19.133 -2.543 0.804 1.00 5.85 N ATOM 14 CA MET A 2 20.242 -2.954 1.663 1.00 6.17 C ATOM 15 C MET A 2 20.598 -1.856 2.661 1.00 5.91 C ATOM 16 O MET A 2 20.269 -1.955 3.842 1.00 6.19 O ATOM 17 CB MET A 2 21.468 -3.308 0.818 1.00 6.73 C ATOM 18 CG MET A 2 22.674 -3.744 1.637 1.00 7.38 C ATOM 19 SD MET A 2 24.132 -4.040 0.619 1.00 8.14 S ATOM 20 CE MET A 2 25.308 -4.565 1.863 1.00 8.79 C ATOM 0 H MET A 2 19.408 -2.310 -0.150 1.00 5.85 H new ATOM 0 HA MET A 2 19.926 -3.836 2.220 1.00 6.17 H new ATOM 0 HB2 MET A 2 21.202 -4.107 0.126 1.00 6.73 H new ATOM 0 HB3 MET A 2 21.744 -2.443 0.215 1.00 6.73 H new ATOM 0 HG2 MET A 2 22.902 -2.978 2.378 1.00 7.38 H new ATOM 0 HG3 MET A 2 22.427 -4.653 2.185 1.00 7.38 H new ATOM 0 HE1 MET A 2 26.264 -4.786 1.389 1.00 8.79 H new ATOM 0 HE2 MET A 2 25.441 -3.770 2.596 1.00 8.79 H new ATOM 0 HE3 MET A 2 24.935 -5.459 2.362 1.00 8.79 H new ATOM 30 N GLY A 3 21.248 -0.802 2.180 1.00 5.74 N ATOM 31 CA GLY A 3 21.630 0.296 3.051 1.00 5.81 C ATOM 32 C GLY A 3 20.508 1.289 3.209 1.00 5.28 C ATOM 33 O GLY A 3 20.695 2.493 3.040 1.00 5.54 O ATOM 0 H GLY A 3 21.518 -0.688 1.203 1.00 5.74 H new ATOM 0 HA2 GLY A 3 21.912 -0.095 4.029 1.00 5.81 H new ATOM 0 HA3 GLY A 3 22.507 0.798 2.643 1.00 5.81 H new ATOM 37 N CYS A 4 19.343 0.776 3.548 1.00 4.84 N ATOM 38 CA CYS A 4 18.130 1.565 3.564 1.00 4.49 C ATOM 39 C CYS A 4 17.464 1.535 4.933 1.00 4.00 C ATOM 40 O CYS A 4 17.796 0.710 5.787 1.00 4.30 O ATOM 41 CB CYS A 4 17.160 1.015 2.526 1.00 4.71 C ATOM 42 SG CYS A 4 17.520 1.488 0.797 1.00 5.14 S ATOM 0 H CYS A 4 19.211 -0.198 3.820 1.00 4.84 H new ATOM 0 HA CYS A 4 18.393 2.597 3.334 1.00 4.49 H new ATOM 0 HB2 CYS A 4 17.157 -0.073 2.595 1.00 4.71 H new ATOM 0 HB3 CYS A 4 16.154 1.353 2.777 1.00 4.71 H new ATOM 47 N LYS A 5 16.532 2.453 5.128 1.00 3.56 N ATOM 48 CA LYS A 5 15.687 2.467 6.309 1.00 3.21 C ATOM 49 C LYS A 5 14.688 1.321 6.258 1.00 2.60 C ATOM 50 O LYS A 5 14.352 0.837 5.177 1.00 2.48 O ATOM 51 CB LYS A 5 14.933 3.770 6.370 1.00 3.31 C ATOM 52 CG LYS A 5 14.098 3.971 7.623 1.00 3.91 C ATOM 53 CD LYS A 5 14.958 4.027 8.872 1.00 4.47 C ATOM 54 CE LYS A 5 14.110 4.209 10.122 1.00 5.34 C ATOM 55 NZ LYS A 5 13.220 5.397 10.025 1.00 5.99 N ATOM 0 H LYS A 5 16.340 3.210 4.471 1.00 3.56 H new ATOM 0 HA LYS A 5 16.317 2.356 7.192 1.00 3.21 H new ATOM 0 HB2 LYS A 5 15.647 4.590 6.292 1.00 3.31 H new ATOM 0 HB3 LYS A 5 14.278 3.834 5.501 1.00 3.31 H new ATOM 0 HG2 LYS A 5 13.526 4.895 7.534 1.00 3.91 H new ATOM 0 HG3 LYS A 5 13.378 3.158 7.714 1.00 3.91 H new ATOM 0 HD2 LYS A 5 15.540 3.109 8.956 1.00 4.47 H new ATOM 0 HD3 LYS A 5 15.669 4.849 8.790 1.00 4.47 H new ATOM 0 HE2 LYS A 5 13.506 3.316 10.283 1.00 5.34 H new ATOM 0 HE3 LYS A 5 14.761 4.314 10.990 1.00 5.34 H new ATOM 0 HZ1 LYS A 5 12.841 5.624 10.966 1.00 5.99 H new ATOM 0 HZ2 LYS A 5 13.762 6.208 9.665 1.00 5.99 H new ATOM 0 HZ3 LYS A 5 12.434 5.190 9.376 1.00 5.99 H new ATOM 69 N GLU A 6 14.257 0.865 7.427 1.00 2.54 N ATOM 70 CA GLU A 6 13.106 -0.003 7.533 1.00 2.10 C ATOM 71 C GLU A 6 11.926 0.650 6.841 1.00 1.84 C ATOM 72 O GLU A 6 11.333 1.602 7.354 1.00 2.27 O ATOM 73 CB GLU A 6 12.774 -0.272 8.996 1.00 2.49 C ATOM 74 CG GLU A 6 13.959 -0.785 9.788 1.00 2.96 C ATOM 75 CD GLU A 6 14.832 0.320 10.350 1.00 3.57 C ATOM 76 OE1 GLU A 6 15.726 0.800 9.622 1.00 4.01 O ATOM 77 OE2 GLU A 6 14.625 0.719 11.513 1.00 3.94 O ATOM 0 H GLU A 6 14.697 1.088 8.320 1.00 2.54 H new ATOM 0 HA GLU A 6 13.329 -0.956 7.053 1.00 2.10 H new ATOM 0 HB2 GLU A 6 12.408 0.647 9.454 1.00 2.49 H new ATOM 0 HB3 GLU A 6 11.965 -1.000 9.051 1.00 2.49 H new ATOM 0 HG2 GLU A 6 13.597 -1.405 10.608 1.00 2.96 H new ATOM 0 HG3 GLU A 6 14.565 -1.426 9.147 1.00 2.96 H new ATOM 84 N ILE A 7 11.609 0.141 5.675 1.00 1.34 N ATOM 85 CA ILE A 7 10.606 0.753 4.822 1.00 1.10 C ATOM 86 C ILE A 7 9.201 0.409 5.312 1.00 0.99 C ATOM 87 O ILE A 7 8.948 -0.720 5.732 1.00 1.30 O ATOM 88 CB ILE A 7 10.784 0.316 3.352 1.00 1.29 C ATOM 89 CG1 ILE A 7 12.093 0.785 2.757 1.00 1.73 C ATOM 90 CG2 ILE A 7 9.682 0.832 2.508 1.00 1.29 C ATOM 91 CD1 ILE A 7 12.348 2.238 2.962 1.00 2.00 C ATOM 0 H ILE A 7 12.032 -0.703 5.288 1.00 1.34 H new ATOM 0 HA ILE A 7 10.738 1.834 4.873 1.00 1.10 H new ATOM 0 HB ILE A 7 10.777 -0.774 3.365 1.00 1.29 H new ATOM 0 HG12 ILE A 7 12.910 0.214 3.199 1.00 1.73 H new ATOM 0 HG13 ILE A 7 12.096 0.570 1.688 1.00 1.73 H new ATOM 0 HG21 ILE A 7 9.832 0.510 1.477 1.00 1.29 H new ATOM 0 HG22 ILE A 7 8.731 0.445 2.875 1.00 1.29 H new ATOM 0 HG23 ILE A 7 9.671 1.921 2.550 1.00 1.29 H new ATOM 0 HD11 ILE A 7 13.303 2.507 2.511 1.00 2.00 H new ATOM 0 HD12 ILE A 7 11.551 2.817 2.496 1.00 2.00 H new ATOM 0 HD13 ILE A 7 12.377 2.455 4.030 1.00 2.00 H new ATOM 103 N GLU A 8 8.282 1.374 5.218 1.00 0.87 N ATOM 104 CA GLU A 8 6.989 1.260 5.888 1.00 0.93 C ATOM 105 C GLU A 8 5.837 1.559 4.942 1.00 0.86 C ATOM 106 O GLU A 8 5.692 2.681 4.462 1.00 1.29 O ATOM 107 CB GLU A 8 6.918 2.209 7.082 1.00 1.41 C ATOM 108 CG GLU A 8 7.834 1.831 8.231 1.00 1.71 C ATOM 109 CD GLU A 8 7.695 2.771 9.409 1.00 2.31 C ATOM 110 OE1 GLU A 8 6.632 2.762 10.063 1.00 2.70 O ATOM 111 OE2 GLU A 8 8.651 3.522 9.693 1.00 2.71 O ATOM 0 H GLU A 8 8.410 2.236 4.688 1.00 0.87 H new ATOM 0 HA GLU A 8 6.896 0.230 6.232 1.00 0.93 H new ATOM 0 HB2 GLU A 8 7.169 3.216 6.748 1.00 1.41 H new ATOM 0 HB3 GLU A 8 5.891 2.241 7.446 1.00 1.41 H new ATOM 0 HG2 GLU A 8 7.610 0.814 8.552 1.00 1.71 H new ATOM 0 HG3 GLU A 8 8.868 1.835 7.885 1.00 1.71 H new ATOM 118 N ILE A 9 5.022 0.549 4.699 1.00 0.65 N ATOM 119 CA ILE A 9 3.881 0.641 3.799 1.00 0.68 C ATOM 120 C ILE A 9 2.659 1.080 4.578 1.00 0.53 C ATOM 121 O ILE A 9 2.344 0.504 5.619 1.00 0.68 O ATOM 122 CB ILE A 9 3.575 -0.730 3.155 1.00 0.91 C ATOM 123 CG1 ILE A 9 4.759 -1.675 3.315 1.00 0.93 C ATOM 124 CG2 ILE A 9 3.169 -0.605 1.703 1.00 1.34 C ATOM 125 CD1 ILE A 9 5.186 -2.365 2.051 1.00 1.21 C ATOM 0 H ILE A 9 5.133 -0.371 5.125 1.00 0.65 H new ATOM 0 HA ILE A 9 4.123 1.362 3.018 1.00 0.68 H new ATOM 0 HB ILE A 9 2.721 -1.152 3.684 1.00 0.91 H new ATOM 0 HG12 ILE A 9 5.605 -1.112 3.709 1.00 0.93 H new ATOM 0 HG13 ILE A 9 4.505 -2.431 4.058 1.00 0.93 H new ATOM 0 HG21 ILE A 9 2.965 -1.595 1.296 1.00 1.34 H new ATOM 0 HG22 ILE A 9 2.273 0.010 1.628 1.00 1.34 H new ATOM 0 HG23 ILE A 9 3.977 -0.140 1.138 1.00 1.34 H new ATOM 0 HD11 ILE A 9 6.034 -3.017 2.261 1.00 1.21 H new ATOM 0 HD12 ILE A 9 4.359 -2.960 1.664 1.00 1.21 H new ATOM 0 HD13 ILE A 9 5.476 -1.620 1.310 1.00 1.21 H new ATOM 137 N VAL A 10 1.973 2.095 4.097 1.00 0.51 N ATOM 138 CA VAL A 10 0.747 2.513 4.754 1.00 0.46 C ATOM 139 C VAL A 10 -0.454 2.291 3.859 1.00 0.41 C ATOM 140 O VAL A 10 -0.502 2.754 2.718 1.00 0.44 O ATOM 141 CB VAL A 10 0.788 3.975 5.268 1.00 0.61 C ATOM 142 CG1 VAL A 10 1.766 4.827 4.469 1.00 0.92 C ATOM 143 CG2 VAL A 10 -0.615 4.596 5.272 1.00 0.77 C ATOM 0 H VAL A 10 2.233 2.637 3.273 1.00 0.51 H new ATOM 0 HA VAL A 10 0.651 1.882 5.637 1.00 0.46 H new ATOM 0 HB VAL A 10 1.148 3.950 6.296 1.00 0.61 H new ATOM 0 HG11 VAL A 10 1.766 5.844 4.860 1.00 0.92 H new ATOM 0 HG12 VAL A 10 2.768 4.406 4.553 1.00 0.92 H new ATOM 0 HG13 VAL A 10 1.465 4.841 3.421 1.00 0.92 H new ATOM 0 HG21 VAL A 10 -0.558 5.622 5.637 1.00 0.77 H new ATOM 0 HG22 VAL A 10 -1.017 4.593 4.259 1.00 0.77 H new ATOM 0 HG23 VAL A 10 -1.268 4.015 5.923 1.00 0.77 H new ATOM 153 N ILE A 11 -1.409 1.551 4.387 1.00 0.40 N ATOM 154 CA ILE A 11 -2.655 1.319 3.709 1.00 0.40 C ATOM 155 C ILE A 11 -3.742 2.057 4.448 1.00 0.44 C ATOM 156 O ILE A 11 -4.037 1.767 5.607 1.00 0.50 O ATOM 157 CB ILE A 11 -3.008 -0.182 3.627 1.00 0.47 C ATOM 158 CG1 ILE A 11 -1.919 -0.938 2.895 1.00 0.58 C ATOM 159 CG2 ILE A 11 -4.360 -0.391 2.951 1.00 0.53 C ATOM 160 CD1 ILE A 11 -1.672 -0.378 1.537 1.00 0.59 C ATOM 0 H ILE A 11 -1.337 1.097 5.298 1.00 0.40 H new ATOM 0 HA ILE A 11 -2.562 1.681 2.685 1.00 0.40 H new ATOM 0 HB ILE A 11 -3.080 -0.572 4.642 1.00 0.47 H new ATOM 0 HG12 ILE A 11 -0.998 -0.901 3.476 1.00 0.58 H new ATOM 0 HG13 ILE A 11 -2.200 -1.988 2.809 1.00 0.58 H new ATOM 0 HG21 ILE A 11 -4.584 -1.457 2.907 1.00 0.53 H new ATOM 0 HG22 ILE A 11 -5.135 0.119 3.523 1.00 0.53 H new ATOM 0 HG23 ILE A 11 -4.328 0.015 1.940 1.00 0.53 H new ATOM 0 HD11 ILE A 11 -0.884 -0.949 1.046 1.00 0.59 H new ATOM 0 HD12 ILE A 11 -2.586 -0.439 0.946 1.00 0.59 H new ATOM 0 HD13 ILE A 11 -1.365 0.664 1.624 1.00 0.59 H new ATOM 172 N LYS A 12 -4.288 3.043 3.794 1.00 0.46 N ATOM 173 CA LYS A 12 -5.341 3.841 4.363 1.00 0.52 C ATOM 174 C LYS A 12 -6.652 3.463 3.693 1.00 0.50 C ATOM 175 O LYS A 12 -6.654 2.911 2.594 1.00 0.62 O ATOM 176 CB LYS A 12 -5.061 5.315 4.106 1.00 0.55 C ATOM 177 CG LYS A 12 -5.453 6.225 5.243 1.00 0.72 C ATOM 178 CD LYS A 12 -5.235 7.684 4.870 1.00 1.32 C ATOM 179 CE LYS A 12 -5.873 8.630 5.873 1.00 1.65 C ATOM 180 NZ LYS A 12 -5.320 8.455 7.240 1.00 2.08 N ATOM 0 H LYS A 12 -4.016 3.318 2.850 1.00 0.46 H new ATOM 0 HA LYS A 12 -5.398 3.665 5.437 1.00 0.52 H new ATOM 0 HB2 LYS A 12 -3.997 5.442 3.904 1.00 0.55 H new ATOM 0 HB3 LYS A 12 -5.595 5.624 3.207 1.00 0.55 H new ATOM 0 HG2 LYS A 12 -6.500 6.063 5.499 1.00 0.72 H new ATOM 0 HG3 LYS A 12 -4.867 5.980 6.129 1.00 0.72 H new ATOM 0 HD2 LYS A 12 -4.166 7.887 4.810 1.00 1.32 H new ATOM 0 HD3 LYS A 12 -5.651 7.871 3.880 1.00 1.32 H new ATOM 0 HE2 LYS A 12 -5.717 9.659 5.549 1.00 1.65 H new ATOM 0 HE3 LYS A 12 -6.950 8.462 5.894 1.00 1.65 H new ATOM 0 HZ1 LYS A 12 -5.614 9.253 7.838 1.00 2.08 H new ATOM 0 HZ2 LYS A 12 -5.676 7.567 7.648 1.00 2.08 H new ATOM 0 HZ3 LYS A 12 -4.282 8.422 7.193 1.00 2.08 H new ATOM 194 N ASN A 13 -7.752 3.753 4.340 1.00 0.55 N ATOM 195 CA ASN A 13 -9.049 3.636 3.710 1.00 0.59 C ATOM 196 C ASN A 13 -9.927 4.727 4.257 1.00 0.58 C ATOM 197 O ASN A 13 -9.938 4.972 5.459 1.00 0.95 O ATOM 198 CB ASN A 13 -9.667 2.255 3.940 1.00 1.01 C ATOM 199 CG ASN A 13 -10.934 2.030 3.128 1.00 2.06 C ATOM 200 OD1 ASN A 13 -11.748 2.927 2.927 1.00 2.81 O ATOM 201 ND2 ASN A 13 -11.095 0.824 2.634 1.00 2.71 N ATOM 0 H ASN A 13 -7.778 4.074 5.308 1.00 0.55 H new ATOM 0 HA ASN A 13 -8.945 3.745 2.630 1.00 0.59 H new ATOM 0 HB2 ASN A 13 -8.936 1.488 3.683 1.00 1.01 H new ATOM 0 HB3 ASN A 13 -9.895 2.136 4.999 1.00 1.01 H new ATOM 0 HD21 ASN A 13 -11.914 0.611 2.065 1.00 2.71 H new ATOM 0 HD22 ASN A 13 -10.401 0.100 2.819 1.00 2.71 H new ATOM 208 N THR A 14 -10.620 5.409 3.372 1.00 0.47 N ATOM 209 CA THR A 14 -11.375 6.572 3.749 1.00 0.74 C ATOM 210 C THR A 14 -12.313 7.032 2.645 1.00 0.54 C ATOM 211 O THR A 14 -11.949 7.827 1.787 1.00 0.70 O ATOM 212 CB THR A 14 -10.436 7.723 4.150 1.00 1.38 C ATOM 213 OG1 THR A 14 -11.124 8.979 4.156 1.00 1.79 O ATOM 214 CG2 THR A 14 -9.279 7.774 3.201 1.00 1.78 C ATOM 0 H THR A 14 -10.673 5.172 2.381 1.00 0.47 H new ATOM 0 HA THR A 14 -11.986 6.288 4.606 1.00 0.74 H new ATOM 0 HB THR A 14 -10.075 7.538 5.162 1.00 1.38 H new ATOM 0 HG1 THR A 14 -11.655 9.057 4.976 1.00 1.79 H new ATOM 0 HG21 THR A 14 -8.612 8.589 3.483 1.00 1.78 H new ATOM 0 HG22 THR A 14 -8.735 6.830 3.240 1.00 1.78 H new ATOM 0 HG23 THR A 14 -9.646 7.940 2.188 1.00 1.78 H new ATOM 222 N LEU A 15 -13.502 6.466 2.620 1.00 0.49 N ATOM 223 CA LEU A 15 -14.575 7.020 1.846 1.00 0.68 C ATOM 224 C LEU A 15 -15.487 7.787 2.790 1.00 0.84 C ATOM 225 O LEU A 15 -15.763 8.974 2.619 1.00 1.18 O ATOM 226 CB LEU A 15 -15.402 5.943 1.138 1.00 0.88 C ATOM 227 CG LEU A 15 -14.702 5.247 0.001 1.00 0.97 C ATOM 228 CD1 LEU A 15 -13.422 4.687 0.458 1.00 0.90 C ATOM 229 CD2 LEU A 15 -15.588 4.204 -0.656 1.00 1.39 C ATOM 0 H LEU A 15 -13.743 5.618 3.133 1.00 0.49 H new ATOM 0 HA LEU A 15 -14.144 7.663 1.078 1.00 0.68 H new ATOM 0 HB2 LEU A 15 -15.702 5.195 1.872 1.00 0.88 H new ATOM 0 HB3 LEU A 15 -16.315 6.400 0.757 1.00 0.88 H new ATOM 0 HG LEU A 15 -14.485 5.985 -0.771 1.00 0.97 H new ATOM 0 HD11 LEU A 15 -12.926 4.187 -0.374 1.00 0.90 H new ATOM 0 HD12 LEU A 15 -12.786 5.490 0.830 1.00 0.90 H new ATOM 0 HD13 LEU A 15 -13.604 3.969 1.257 1.00 0.90 H new ATOM 0 HD21 LEU A 15 -15.044 3.726 -1.471 1.00 1.39 H new ATOM 0 HD22 LEU A 15 -15.873 3.452 0.080 1.00 1.39 H new ATOM 0 HD23 LEU A 15 -16.484 4.684 -1.050 1.00 1.39 H new ATOM 241 N GLY A 16 -15.933 7.051 3.799 1.00 0.72 N ATOM 242 CA GLY A 16 -16.764 7.573 4.852 1.00 0.87 C ATOM 243 C GLY A 16 -16.786 6.601 6.013 1.00 0.77 C ATOM 244 O GLY A 16 -15.985 5.664 6.029 1.00 1.27 O ATOM 0 H GLY A 16 -15.719 6.059 3.902 1.00 0.72 H new ATOM 0 HA2 GLY A 16 -16.385 8.540 5.182 1.00 0.87 H new ATOM 0 HA3 GLY A 16 -17.776 7.736 4.483 1.00 0.87 H new ATOM 248 N PRO A 17 -17.684 6.774 6.988 1.00 0.67 N ATOM 249 CA PRO A 17 -17.672 5.975 8.216 1.00 0.76 C ATOM 250 C PRO A 17 -17.734 4.468 7.953 1.00 0.88 C ATOM 251 O PRO A 17 -18.480 4.006 7.084 1.00 1.27 O ATOM 252 CB PRO A 17 -18.921 6.445 8.976 1.00 1.02 C ATOM 253 CG PRO A 17 -19.752 7.168 7.969 1.00 1.42 C ATOM 254 CD PRO A 17 -18.786 7.744 6.973 1.00 1.13 C ATOM 0 HA PRO A 17 -16.744 6.118 8.770 1.00 0.76 H new ATOM 0 HB2 PRO A 17 -19.464 5.600 9.399 1.00 1.02 H new ATOM 0 HB3 PRO A 17 -18.653 7.099 9.806 1.00 1.02 H new ATOM 0 HG2 PRO A 17 -20.455 6.491 7.484 1.00 1.42 H new ATOM 0 HG3 PRO A 17 -20.341 7.954 8.441 1.00 1.42 H new ATOM 0 HD2 PRO A 17 -19.232 7.834 5.983 1.00 1.13 H new ATOM 0 HD3 PRO A 17 -18.452 8.740 7.263 1.00 1.13 H new ATOM 262 N SER A 18 -16.929 3.719 8.711 1.00 1.06 N ATOM 263 CA SER A 18 -16.856 2.261 8.602 1.00 1.31 C ATOM 264 C SER A 18 -16.309 1.835 7.245 1.00 1.10 C ATOM 265 O SER A 18 -16.756 0.847 6.664 1.00 1.50 O ATOM 266 CB SER A 18 -18.229 1.625 8.842 1.00 1.75 C ATOM 267 OG SER A 18 -18.796 2.078 10.060 1.00 2.18 O ATOM 0 H SER A 18 -16.308 4.109 9.420 1.00 1.06 H new ATOM 0 HA SER A 18 -16.170 1.909 9.372 1.00 1.31 H new ATOM 0 HB2 SER A 18 -18.895 1.868 8.014 1.00 1.75 H new ATOM 0 HB3 SER A 18 -18.131 0.540 8.864 1.00 1.75 H new ATOM 0 HG SER A 18 -19.672 1.659 10.189 1.00 2.18 H new ATOM 273 N ARG A 19 -15.347 2.581 6.728 1.00 0.81 N ATOM 274 CA ARG A 19 -14.654 2.149 5.536 1.00 0.66 C ATOM 275 C ARG A 19 -13.526 1.233 5.890 1.00 0.64 C ATOM 276 O ARG A 19 -12.771 1.467 6.823 1.00 1.02 O ATOM 277 CB ARG A 19 -14.144 3.306 4.709 1.00 0.68 C ATOM 278 CG ARG A 19 -15.134 3.817 3.684 1.00 1.15 C ATOM 279 CD ARG A 19 -15.715 2.691 2.840 1.00 1.94 C ATOM 280 NE ARG A 19 -16.854 2.023 3.480 1.00 2.51 N ATOM 281 CZ ARG A 19 -17.918 1.569 2.814 1.00 3.32 C ATOM 282 NH1 ARG A 19 -18.028 1.771 1.507 1.00 3.76 N ATOM 283 NH2 ARG A 19 -18.883 0.932 3.458 1.00 3.99 N ATOM 0 H ARG A 19 -15.035 3.474 7.111 1.00 0.81 H new ATOM 0 HA ARG A 19 -15.380 1.612 4.926 1.00 0.66 H new ATOM 0 HB2 ARG A 19 -13.873 4.124 5.376 1.00 0.68 H new ATOM 0 HB3 ARG A 19 -13.233 2.998 4.196 1.00 0.68 H new ATOM 0 HG2 ARG A 19 -15.942 4.343 4.192 1.00 1.15 H new ATOM 0 HG3 ARG A 19 -14.642 4.540 3.034 1.00 1.15 H new ATOM 0 HD2 ARG A 19 -16.031 3.092 1.877 1.00 1.94 H new ATOM 0 HD3 ARG A 19 -14.936 1.956 2.639 1.00 1.94 H new ATOM 0 HE ARG A 19 -16.831 1.898 4.492 1.00 2.51 H new ATOM 0 HH11 ARG A 19 -17.297 2.276 1.006 1.00 3.76 H new ATOM 0 HH12 ARG A 19 -18.844 1.422 1.004 1.00 3.76 H new ATOM 0 HH21 ARG A 19 -18.815 0.787 4.465 1.00 3.99 H new ATOM 0 HH22 ARG A 19 -19.695 0.586 2.947 1.00 3.99 H new ATOM 297 N ILE A 20 -13.445 0.199 5.111 1.00 0.52 N ATOM 298 CA ILE A 20 -12.526 -0.907 5.341 1.00 0.51 C ATOM 299 C ILE A 20 -12.156 -1.525 4.009 1.00 0.54 C ATOM 300 O ILE A 20 -12.964 -1.531 3.084 1.00 0.76 O ATOM 301 CB ILE A 20 -13.132 -2.049 6.203 1.00 0.65 C ATOM 302 CG1 ILE A 20 -14.245 -1.558 7.115 1.00 0.78 C ATOM 303 CG2 ILE A 20 -12.049 -2.700 7.030 1.00 0.72 C ATOM 304 CD1 ILE A 20 -13.772 -1.006 8.426 1.00 0.83 C ATOM 0 H ILE A 20 -14.021 0.084 4.277 1.00 0.52 H new ATOM 0 HA ILE A 20 -11.672 -0.485 5.872 1.00 0.51 H new ATOM 0 HB ILE A 20 -13.567 -2.775 5.516 1.00 0.65 H new ATOM 0 HG12 ILE A 20 -14.812 -0.787 6.593 1.00 0.78 H new ATOM 0 HG13 ILE A 20 -14.931 -2.383 7.308 1.00 0.78 H new ATOM 0 HG21 ILE A 20 -12.482 -3.499 7.632 1.00 0.72 H new ATOM 0 HG22 ILE A 20 -11.287 -3.114 6.370 1.00 0.72 H new ATOM 0 HG23 ILE A 20 -11.596 -1.957 7.686 1.00 0.72 H new ATOM 0 HD11 ILE A 20 -14.630 -0.679 9.014 1.00 0.83 H new ATOM 0 HD12 ILE A 20 -13.231 -1.779 8.972 1.00 0.83 H new ATOM 0 HD13 ILE A 20 -13.111 -0.158 8.247 1.00 0.83 H new ATOM 316 N LEU A 21 -10.926 -1.982 3.894 1.00 0.50 N ATOM 317 CA LEU A 21 -10.529 -2.844 2.795 1.00 0.55 C ATOM 318 C LEU A 21 -9.399 -3.734 3.249 1.00 0.52 C ATOM 319 O LEU A 21 -8.457 -3.275 3.899 1.00 0.75 O ATOM 320 CB LEU A 21 -10.154 -2.055 1.533 1.00 0.72 C ATOM 321 CG LEU A 21 -11.224 -2.103 0.436 1.00 1.39 C ATOM 322 CD1 LEU A 21 -10.896 -1.155 -0.704 1.00 2.23 C ATOM 323 CD2 LEU A 21 -11.363 -3.525 -0.084 1.00 2.20 C ATOM 0 H LEU A 21 -10.177 -1.770 4.553 1.00 0.50 H new ATOM 0 HA LEU A 21 -11.384 -3.459 2.515 1.00 0.55 H new ATOM 0 HB2 LEU A 21 -9.972 -1.015 1.806 1.00 0.72 H new ATOM 0 HB3 LEU A 21 -9.219 -2.448 1.134 1.00 0.72 H new ATOM 0 HG LEU A 21 -12.171 -1.781 0.870 1.00 1.39 H new ATOM 0 HD11 LEU A 21 -11.676 -1.215 -1.463 1.00 2.23 H new ATOM 0 HD12 LEU A 21 -10.838 -0.135 -0.324 1.00 2.23 H new ATOM 0 HD13 LEU A 21 -9.938 -1.433 -1.144 1.00 2.23 H new ATOM 0 HD21 LEU A 21 -12.124 -3.555 -0.863 1.00 2.20 H new ATOM 0 HD22 LEU A 21 -10.410 -3.857 -0.495 1.00 2.20 H new ATOM 0 HD23 LEU A 21 -11.655 -4.184 0.733 1.00 2.20 H new ATOM 335 N GLN A 22 -9.511 -5.009 2.942 1.00 0.47 N ATOM 336 CA GLN A 22 -8.551 -5.976 3.377 1.00 0.47 C ATOM 337 C GLN A 22 -7.503 -6.164 2.294 1.00 0.42 C ATOM 338 O GLN A 22 -7.770 -6.752 1.248 1.00 0.51 O ATOM 339 CB GLN A 22 -9.277 -7.279 3.703 1.00 0.60 C ATOM 340 CG GLN A 22 -8.365 -8.385 4.162 1.00 0.71 C ATOM 341 CD GLN A 22 -9.116 -9.655 4.520 1.00 0.97 C ATOM 342 OE1 GLN A 22 -8.591 -10.763 4.389 1.00 1.69 O ATOM 343 NE2 GLN A 22 -10.349 -9.509 4.979 1.00 1.34 N ATOM 0 H GLN A 22 -10.273 -5.395 2.384 1.00 0.47 H new ATOM 0 HA GLN A 22 -8.039 -5.638 4.278 1.00 0.47 H new ATOM 0 HB2 GLN A 22 -10.018 -7.087 4.479 1.00 0.60 H new ATOM 0 HB3 GLN A 22 -9.820 -7.612 2.819 1.00 0.60 H new ATOM 0 HG2 GLN A 22 -7.643 -8.605 3.376 1.00 0.71 H new ATOM 0 HG3 GLN A 22 -7.798 -8.046 5.029 1.00 0.71 H new ATOM 0 HE21 GLN A 22 -10.751 -8.576 5.074 1.00 1.34 H new ATOM 0 HE22 GLN A 22 -10.897 -10.329 5.238 1.00 1.34 H new ATOM 352 N TYR A 23 -6.317 -5.639 2.547 1.00 0.42 N ATOM 353 CA TYR A 23 -5.247 -5.669 1.577 1.00 0.42 C ATOM 354 C TYR A 23 -4.319 -6.839 1.868 1.00 0.41 C ATOM 355 O TYR A 23 -3.960 -7.100 3.018 1.00 0.49 O ATOM 356 CB TYR A 23 -4.463 -4.352 1.596 1.00 0.52 C ATOM 357 CG TYR A 23 -3.714 -4.130 2.881 1.00 0.50 C ATOM 358 CD1 TYR A 23 -4.355 -3.611 3.987 1.00 0.54 C ATOM 359 CD2 TYR A 23 -2.374 -4.459 2.988 1.00 0.58 C ATOM 360 CE1 TYR A 23 -3.683 -3.420 5.176 1.00 0.61 C ATOM 361 CE2 TYR A 23 -1.687 -4.272 4.171 1.00 0.63 C ATOM 362 CZ TYR A 23 -2.347 -3.753 5.265 1.00 0.63 C ATOM 363 OH TYR A 23 -1.672 -3.571 6.451 1.00 0.74 O ATOM 0 H TYR A 23 -6.074 -5.183 3.427 1.00 0.42 H new ATOM 0 HA TYR A 23 -5.679 -5.795 0.584 1.00 0.42 H new ATOM 0 HB2 TYR A 23 -3.758 -4.344 0.765 1.00 0.52 H new ATOM 0 HB3 TYR A 23 -5.153 -3.523 1.437 1.00 0.52 H new ATOM 0 HD1 TYR A 23 -5.401 -3.350 3.920 1.00 0.54 H new ATOM 0 HD2 TYR A 23 -1.857 -4.869 2.133 1.00 0.58 H new ATOM 0 HE1 TYR A 23 -4.199 -3.012 6.032 1.00 0.61 H new ATOM 0 HE2 TYR A 23 -0.641 -4.530 4.239 1.00 0.63 H new ATOM 0 HH TYR A 23 -0.827 -4.066 6.426 1.00 0.74 H new ATOM 373 N HIS A 24 -3.977 -7.578 0.835 1.00 0.50 N ATOM 374 CA HIS A 24 -2.981 -8.619 0.964 1.00 0.57 C ATOM 375 C HIS A 24 -1.722 -8.216 0.231 1.00 0.60 C ATOM 376 O HIS A 24 -1.620 -8.375 -0.981 1.00 0.58 O ATOM 377 CB HIS A 24 -3.494 -9.946 0.418 1.00 0.61 C ATOM 378 CG HIS A 24 -2.504 -11.065 0.560 1.00 0.71 C ATOM 379 ND1 HIS A 24 -1.368 -10.964 1.336 1.00 0.75 N ATOM 380 CD2 HIS A 24 -2.492 -12.314 0.041 1.00 0.85 C ATOM 381 CE1 HIS A 24 -0.703 -12.104 1.287 1.00 0.88 C ATOM 382 NE2 HIS A 24 -1.363 -12.944 0.511 1.00 0.94 N ATOM 0 H HIS A 24 -4.372 -7.478 -0.100 1.00 0.50 H new ATOM 0 HA HIS A 24 -2.762 -8.750 2.024 1.00 0.57 H new ATOM 0 HB2 HIS A 24 -4.413 -10.215 0.938 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -3.747 -9.825 -0.635 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -1.086 -10.139 1.865 1.00 0.75 H new ATOM 0 HD2 HIS A 24 -3.233 -12.739 -0.621 1.00 0.85 H new ATOM 0 HE1 HIS A 24 0.226 -12.314 1.797 1.00 0.88 H new ATOM 391 N CYS A 25 -0.773 -7.694 0.974 1.00 0.71 N ATOM 392 CA CYS A 25 0.496 -7.303 0.412 1.00 0.74 C ATOM 393 C CYS A 25 1.504 -8.460 0.439 1.00 0.91 C ATOM 394 O CYS A 25 1.860 -8.975 1.492 1.00 1.01 O ATOM 395 CB CYS A 25 0.993 -6.040 1.135 1.00 0.79 C ATOM 396 SG CYS A 25 1.622 -4.732 0.029 1.00 1.12 S ATOM 0 H CYS A 25 -0.859 -7.530 1.977 1.00 0.71 H new ATOM 0 HA CYS A 25 0.376 -7.058 -0.643 1.00 0.74 H new ATOM 0 HB2 CYS A 25 0.176 -5.633 1.731 1.00 0.79 H new ATOM 0 HB3 CYS A 25 1.784 -6.322 1.830 1.00 0.79 H new ATOM 401 N ARG A 26 1.874 -8.918 -0.762 1.00 1.14 N ATOM 402 CA ARG A 26 2.872 -9.976 -0.947 1.00 1.38 C ATOM 403 C ARG A 26 3.593 -9.820 -2.297 1.00 1.87 C ATOM 404 O ARG A 26 2.993 -10.027 -3.343 1.00 2.24 O ATOM 405 CB ARG A 26 2.212 -11.362 -0.889 1.00 1.45 C ATOM 406 CG ARG A 26 1.052 -11.525 -1.863 1.00 2.13 C ATOM 407 CD ARG A 26 0.725 -12.987 -2.130 1.00 2.66 C ATOM 408 NE ARG A 26 -0.391 -13.131 -3.069 1.00 3.26 N ATOM 409 CZ ARG A 26 -0.626 -14.227 -3.794 1.00 4.00 C ATOM 410 NH1 ARG A 26 0.182 -15.275 -3.705 1.00 4.21 N ATOM 411 NH2 ARG A 26 -1.666 -14.269 -4.619 1.00 4.86 N ATOM 0 H ARG A 26 1.487 -8.563 -1.637 1.00 1.14 H new ATOM 0 HA ARG A 26 3.598 -9.886 -0.139 1.00 1.38 H new ATOM 0 HB2 ARG A 26 2.964 -12.122 -1.101 1.00 1.45 H new ATOM 0 HB3 ARG A 26 1.853 -11.542 0.124 1.00 1.45 H new ATOM 0 HG2 ARG A 26 0.170 -11.025 -1.462 1.00 2.13 H new ATOM 0 HG3 ARG A 26 1.298 -11.032 -2.804 1.00 2.13 H new ATOM 0 HD2 ARG A 26 1.605 -13.489 -2.531 1.00 2.66 H new ATOM 0 HD3 ARG A 26 0.476 -13.482 -1.191 1.00 2.66 H new ATOM 0 HE ARG A 26 -1.030 -12.343 -3.175 1.00 3.26 H new ATOM 0 HH11 ARG A 26 0.988 -15.246 -3.080 1.00 4.21 H new ATOM 0 HH12 ARG A 26 -0.002 -16.110 -4.261 1.00 4.21 H new ATOM 0 HH21 ARG A 26 -2.286 -13.463 -4.699 1.00 4.86 H new ATOM 0 HH22 ARG A 26 -1.844 -15.107 -5.172 1.00 4.86 H new ATOM 425 N SER A 27 4.851 -9.396 -2.268 1.00 2.10 N ATOM 426 CA SER A 27 5.711 -9.342 -3.464 1.00 2.66 C ATOM 427 C SER A 27 7.115 -8.965 -3.061 1.00 2.39 C ATOM 428 O SER A 27 7.347 -8.574 -1.939 1.00 2.70 O ATOM 429 CB SER A 27 5.220 -8.358 -4.523 1.00 3.73 C ATOM 430 OG SER A 27 4.185 -8.922 -5.312 1.00 4.43 O ATOM 0 H SER A 27 5.313 -9.077 -1.416 1.00 2.10 H new ATOM 0 HA SER A 27 5.681 -10.336 -3.910 1.00 2.66 H new ATOM 0 HB2 SER A 27 4.858 -7.451 -4.039 1.00 3.73 H new ATOM 0 HB3 SER A 27 6.051 -8.067 -5.165 1.00 3.73 H new ATOM 0 HG SER A 27 3.571 -9.424 -4.736 1.00 4.43 H new ATOM 436 N GLY A 28 8.055 -9.084 -3.960 1.00 2.45 N ATOM 437 CA GLY A 28 9.404 -8.736 -3.611 1.00 2.54 C ATOM 438 C GLY A 28 10.249 -9.975 -3.495 1.00 2.68 C ATOM 439 O GLY A 28 11.003 -10.309 -4.409 1.00 3.22 O ATOM 0 H GLY A 28 7.917 -9.411 -4.916 1.00 2.45 H new ATOM 0 HA2 GLY A 28 9.823 -8.071 -4.367 1.00 2.54 H new ATOM 0 HA3 GLY A 28 9.414 -8.191 -2.667 1.00 2.54 H new ATOM 443 N ASN A 29 10.094 -10.673 -2.378 1.00 2.60 N ATOM 444 CA ASN A 29 10.786 -11.941 -2.160 1.00 2.96 C ATOM 445 C ASN A 29 10.336 -12.552 -0.840 1.00 2.76 C ATOM 446 O ASN A 29 11.044 -13.354 -0.227 1.00 3.04 O ATOM 447 CB ASN A 29 12.308 -11.732 -2.156 1.00 3.49 C ATOM 448 CG ASN A 29 13.086 -13.021 -2.363 1.00 4.17 C ATOM 449 OD1 ASN A 29 12.543 -13.928 -3.164 1.00 4.66 O flip ATOM 450 ND2 ASN A 29 14.181 -13.190 -1.825 1.00 4.63 N flip ATOM 0 H ASN A 29 9.494 -10.383 -1.606 1.00 2.60 H new ATOM 0 HA ASN A 29 10.536 -12.622 -2.974 1.00 2.96 H new ATOM 0 HB2 ASN A 29 12.574 -11.024 -2.941 1.00 3.49 H new ATOM 0 HB3 ASN A 29 12.605 -11.283 -1.208 1.00 3.49 H new ATOM 0 HD21 ASN A 29 14.566 -12.469 -1.215 1.00 4.63 H new ATOM 0 HD22 ASN A 29 14.703 -14.051 -1.990 1.00 4.63 H new ATOM 457 N THR A 30 9.147 -12.170 -0.404 1.00 2.45 N ATOM 458 CA THR A 30 8.635 -12.579 0.893 1.00 2.33 C ATOM 459 C THR A 30 7.102 -12.522 0.889 1.00 2.07 C ATOM 460 O THR A 30 6.514 -11.741 0.141 1.00 2.10 O ATOM 461 CB THR A 30 9.213 -11.678 2.014 1.00 2.45 C ATOM 462 OG1 THR A 30 10.639 -11.558 1.879 1.00 2.93 O ATOM 463 CG2 THR A 30 8.895 -12.222 3.385 1.00 2.70 C ATOM 0 H THR A 30 8.514 -11.572 -0.935 1.00 2.45 H new ATOM 0 HA THR A 30 8.947 -13.605 1.089 1.00 2.33 H new ATOM 0 HB THR A 30 8.747 -10.698 1.910 1.00 2.45 H new ATOM 0 HG1 THR A 30 11.024 -11.256 2.728 1.00 2.93 H new ATOM 0 HG21 THR A 30 9.317 -11.564 4.144 1.00 2.70 H new ATOM 0 HG22 THR A 30 7.814 -12.278 3.513 1.00 2.70 H new ATOM 0 HG23 THR A 30 9.325 -13.218 3.490 1.00 2.70 H new ATOM 471 N ASN A 31 6.466 -13.379 1.679 1.00 1.97 N ATOM 472 CA ASN A 31 5.010 -13.390 1.810 1.00 1.75 C ATOM 473 C ASN A 31 4.633 -13.552 3.276 1.00 1.78 C ATOM 474 O ASN A 31 5.176 -14.416 3.964 1.00 2.34 O ATOM 475 CB ASN A 31 4.400 -14.528 0.982 1.00 2.09 C ATOM 476 CG ASN A 31 2.915 -14.727 1.251 1.00 2.43 C ATOM 477 OD1 ASN A 31 2.060 -14.122 0.605 1.00 2.89 O ATOM 478 ND2 ASN A 31 2.598 -15.588 2.204 1.00 2.98 N ATOM 0 H ASN A 31 6.940 -14.083 2.245 1.00 1.97 H new ATOM 0 HA ASN A 31 4.616 -12.445 1.435 1.00 1.75 H new ATOM 0 HB2 ASN A 31 4.547 -14.319 -0.078 1.00 2.09 H new ATOM 0 HB3 ASN A 31 4.931 -15.454 1.201 1.00 2.09 H new ATOM 0 HD21 ASN A 31 1.618 -15.768 2.423 1.00 2.98 H new ATOM 0 HD22 ASN A 31 3.333 -16.072 2.719 1.00 2.98 H new ATOM 485 N VAL A 32 3.707 -12.731 3.756 1.00 1.39 N ATOM 486 CA VAL A 32 3.389 -12.719 5.177 1.00 1.52 C ATOM 487 C VAL A 32 1.914 -13.026 5.472 1.00 1.38 C ATOM 488 O VAL A 32 1.609 -14.058 6.073 1.00 2.10 O ATOM 489 CB VAL A 32 3.784 -11.372 5.817 1.00 2.13 C ATOM 490 CG1 VAL A 32 3.351 -11.302 7.272 1.00 2.68 C ATOM 491 CG2 VAL A 32 5.287 -11.156 5.706 1.00 2.64 C ATOM 0 H VAL A 32 3.170 -12.073 3.191 1.00 1.39 H new ATOM 0 HA VAL A 32 3.976 -13.522 5.622 1.00 1.52 H new ATOM 0 HB VAL A 32 3.268 -10.580 5.274 1.00 2.13 H new ATOM 0 HG11 VAL A 32 3.644 -10.340 7.693 1.00 2.68 H new ATOM 0 HG12 VAL A 32 2.268 -11.411 7.335 1.00 2.68 H new ATOM 0 HG13 VAL A 32 3.829 -12.105 7.833 1.00 2.68 H new ATOM 0 HG21 VAL A 32 5.552 -10.202 6.161 1.00 2.64 H new ATOM 0 HG22 VAL A 32 5.809 -11.962 6.222 1.00 2.64 H new ATOM 0 HG23 VAL A 32 5.577 -11.149 4.655 1.00 2.64 H new ATOM 501 N GLY A 33 0.991 -12.164 5.045 1.00 1.00 N ATOM 502 CA GLY A 33 -0.370 -12.296 5.490 1.00 1.43 C ATOM 503 C GLY A 33 -1.259 -11.215 4.934 1.00 0.99 C ATOM 504 O GLY A 33 -0.860 -10.466 4.037 1.00 1.13 O ATOM 0 H GLY A 33 1.168 -11.388 4.406 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -0.755 -13.271 5.190 1.00 1.43 H new ATOM 0 HA3 GLY A 33 -0.399 -12.263 6.579 1.00 1.43 H new ATOM 508 N VAL A 34 -2.462 -11.129 5.474 1.00 0.80 N ATOM 509 CA VAL A 34 -3.504 -10.276 4.926 1.00 0.56 C ATOM 510 C VAL A 34 -4.180 -9.494 6.060 1.00 0.63 C ATOM 511 O VAL A 34 -4.342 -10.031 7.159 1.00 1.03 O ATOM 512 CB VAL A 34 -4.538 -11.147 4.203 1.00 0.89 C ATOM 513 CG1 VAL A 34 -5.504 -10.297 3.399 1.00 1.17 C ATOM 514 CG2 VAL A 34 -3.814 -12.148 3.320 1.00 1.06 C ATOM 0 H VAL A 34 -2.745 -11.648 6.305 1.00 0.80 H new ATOM 0 HA VAL A 34 -3.068 -9.569 4.220 1.00 0.56 H new ATOM 0 HB VAL A 34 -5.131 -11.688 4.941 1.00 0.89 H new ATOM 0 HG11 VAL A 34 -6.225 -10.942 2.897 1.00 1.17 H new ATOM 0 HG12 VAL A 34 -6.030 -9.614 4.066 1.00 1.17 H new ATOM 0 HG13 VAL A 34 -4.951 -9.723 2.655 1.00 1.17 H new ATOM 0 HG21 VAL A 34 -4.543 -12.771 2.803 1.00 1.06 H new ATOM 0 HG22 VAL A 34 -3.207 -11.615 2.588 1.00 1.06 H new ATOM 0 HG23 VAL A 34 -3.171 -12.777 3.935 1.00 1.06 H new ATOM 524 N GLN A 35 -4.566 -8.244 5.815 1.00 0.63 N ATOM 525 CA GLN A 35 -5.050 -7.388 6.870 1.00 0.85 C ATOM 526 C GLN A 35 -5.979 -6.287 6.328 1.00 0.70 C ATOM 527 O GLN A 35 -5.834 -5.861 5.191 1.00 0.82 O ATOM 528 CB GLN A 35 -3.824 -6.805 7.551 1.00 1.45 C ATOM 529 CG GLN A 35 -4.126 -5.642 8.427 1.00 2.06 C ATOM 530 CD GLN A 35 -3.030 -5.392 9.440 1.00 2.71 C ATOM 531 OE1 GLN A 35 -3.100 -5.864 10.574 1.00 3.16 O ATOM 532 NE2 GLN A 35 -1.989 -4.694 9.024 1.00 3.28 N ATOM 0 H GLN A 35 -4.549 -7.811 4.892 1.00 0.63 H new ATOM 0 HA GLN A 35 -5.653 -7.953 7.580 1.00 0.85 H new ATOM 0 HB2 GLN A 35 -3.345 -7.583 8.146 1.00 1.45 H new ATOM 0 HB3 GLN A 35 -3.107 -6.499 6.789 1.00 1.45 H new ATOM 0 HG2 GLN A 35 -4.261 -4.752 7.813 1.00 2.06 H new ATOM 0 HG3 GLN A 35 -5.068 -5.816 8.948 1.00 2.06 H new ATOM 0 HE21 GLN A 35 -1.972 -4.320 8.075 1.00 3.28 H new ATOM 0 HE22 GLN A 35 -1.202 -4.529 9.652 1.00 3.28 H new ATOM 541 N TYR A 36 -6.948 -5.852 7.144 1.00 0.78 N ATOM 542 CA TYR A 36 -7.869 -4.774 6.757 1.00 0.73 C ATOM 543 C TYR A 36 -7.636 -3.516 7.590 1.00 0.78 C ATOM 544 O TYR A 36 -6.976 -3.564 8.630 1.00 1.06 O ATOM 545 CB TYR A 36 -9.331 -5.204 6.840 1.00 0.94 C ATOM 546 CG TYR A 36 -9.716 -5.860 8.124 1.00 1.62 C ATOM 547 CD1 TYR A 36 -9.217 -7.097 8.431 1.00 2.09 C ATOM 548 CD2 TYR A 36 -10.588 -5.255 9.004 1.00 2.13 C ATOM 549 CE1 TYR A 36 -9.570 -7.739 9.596 1.00 3.04 C ATOM 550 CE2 TYR A 36 -10.954 -5.874 10.176 1.00 3.13 C ATOM 551 CZ TYR A 36 -10.441 -7.123 10.472 1.00 3.57 C ATOM 552 OH TYR A 36 -10.799 -7.755 11.643 1.00 4.60 O ATOM 0 H TYR A 36 -7.115 -6.230 8.077 1.00 0.78 H new ATOM 0 HA TYR A 36 -7.653 -4.543 5.714 1.00 0.73 H new ATOM 0 HB2 TYR A 36 -9.962 -4.328 6.692 1.00 0.94 H new ATOM 0 HB3 TYR A 36 -9.541 -5.890 6.020 1.00 0.94 H new ATOM 0 HD1 TYR A 36 -8.534 -7.578 7.747 1.00 2.09 H new ATOM 0 HD2 TYR A 36 -10.990 -4.280 8.769 1.00 2.13 H new ATOM 0 HE1 TYR A 36 -9.169 -8.716 9.823 1.00 3.04 H new ATOM 0 HE2 TYR A 36 -11.636 -5.389 10.859 1.00 3.13 H new ATOM 0 HH TYR A 36 -11.418 -7.185 12.146 1.00 4.60 H new ATOM 562 N LEU A 37 -8.184 -2.399 7.127 1.00 0.72 N ATOM 563 CA LEU A 37 -7.969 -1.104 7.763 1.00 0.89 C ATOM 564 C LEU A 37 -9.251 -0.278 7.708 1.00 0.70 C ATOM 565 O LEU A 37 -9.907 -0.218 6.666 1.00 0.61 O ATOM 566 CB LEU A 37 -6.811 -0.376 7.051 1.00 1.23 C ATOM 567 CG LEU A 37 -6.394 1.001 7.607 1.00 1.93 C ATOM 568 CD1 LEU A 37 -7.275 2.107 7.054 1.00 2.72 C ATOM 569 CD2 LEU A 37 -6.427 1.012 9.128 1.00 2.57 C ATOM 0 H LEU A 37 -8.787 -2.364 6.305 1.00 0.72 H new ATOM 0 HA LEU A 37 -7.704 -1.245 8.811 1.00 0.89 H new ATOM 0 HB2 LEU A 37 -5.938 -1.028 7.074 1.00 1.23 H new ATOM 0 HB3 LEU A 37 -7.086 -0.248 6.004 1.00 1.23 H new ATOM 0 HG LEU A 37 -5.369 1.185 7.284 1.00 1.93 H new ATOM 0 HD11 LEU A 37 -6.956 3.065 7.464 1.00 2.72 H new ATOM 0 HD12 LEU A 37 -7.190 2.131 5.968 1.00 2.72 H new ATOM 0 HD13 LEU A 37 -8.312 1.920 7.333 1.00 2.72 H new ATOM 0 HD21 LEU A 37 -6.128 1.995 9.491 1.00 2.57 H new ATOM 0 HD22 LEU A 37 -7.437 0.790 9.472 1.00 2.57 H new ATOM 0 HD23 LEU A 37 -5.739 0.259 9.512 1.00 2.57 H new ATOM 581 N ASN A 38 -9.604 0.342 8.830 1.00 0.78 N ATOM 582 CA ASN A 38 -10.797 1.173 8.899 1.00 0.73 C ATOM 583 C ASN A 38 -10.473 2.641 8.734 1.00 0.68 C ATOM 584 O ASN A 38 -9.361 3.093 9.016 1.00 0.75 O ATOM 585 CB ASN A 38 -11.542 0.981 10.216 1.00 0.94 C ATOM 586 CG ASN A 38 -10.673 1.219 11.437 1.00 1.62 C ATOM 587 OD1 ASN A 38 -10.601 2.334 11.958 1.00 2.32 O ATOM 588 ND2 ASN A 38 -10.010 0.176 11.907 1.00 2.29 N ATOM 0 H ASN A 38 -9.080 0.283 9.703 1.00 0.78 H new ATOM 0 HA ASN A 38 -11.434 0.853 8.074 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -12.393 1.661 10.246 1.00 0.94 H new ATOM 0 HB3 ASN A 38 -11.942 -0.032 10.255 1.00 0.94 H new ATOM 0 HD21 ASN A 38 -9.414 0.279 12.728 1.00 2.29 H new ATOM 0 HD22 ASN A 38 -10.095 -0.731 11.449 1.00 2.29 H new ATOM 595 N PHE A 39 -11.481 3.375 8.306 1.00 0.68 N ATOM 596 CA PHE A 39 -11.356 4.796 8.052 1.00 0.72 C ATOM 597 C PHE A 39 -11.271 5.570 9.362 1.00 0.83 C ATOM 598 O PHE A 39 -12.287 5.966 9.945 1.00 1.66 O ATOM 599 CB PHE A 39 -12.513 5.294 7.179 1.00 0.85 C ATOM 600 CG PHE A 39 -12.603 6.798 7.069 1.00 1.07 C ATOM 601 CD1 PHE A 39 -11.454 7.570 7.069 1.00 1.35 C ATOM 602 CD2 PHE A 39 -13.827 7.434 6.927 1.00 1.43 C ATOM 603 CE1 PHE A 39 -11.521 8.942 6.929 1.00 1.80 C ATOM 604 CE2 PHE A 39 -13.902 8.807 6.792 1.00 1.87 C ATOM 605 CZ PHE A 39 -12.791 9.571 6.944 1.00 2.03 C ATOM 0 H PHE A 39 -12.412 3.001 8.124 1.00 0.68 H new ATOM 0 HA PHE A 39 -10.430 4.970 7.504 1.00 0.72 H new ATOM 0 HB2 PHE A 39 -12.406 4.874 6.179 1.00 0.85 H new ATOM 0 HB3 PHE A 39 -13.450 4.914 7.586 1.00 0.85 H new ATOM 0 HD1 PHE A 39 -10.492 7.092 7.180 1.00 1.35 H new ATOM 0 HD2 PHE A 39 -14.734 6.848 6.922 1.00 1.43 H new ATOM 0 HE1 PHE A 39 -10.620 9.526 6.810 1.00 1.80 H new ATOM 0 HE2 PHE A 39 -14.849 9.274 6.565 1.00 1.87 H new ATOM 0 HZ PHE A 39 -12.873 10.640 7.074 1.00 2.03 H new ATOM 615 N LYS A 40 -10.047 5.757 9.819 1.00 0.86 N ATOM 616 CA LYS A 40 -9.764 6.553 10.998 1.00 0.97 C ATOM 617 C LYS A 40 -8.308 6.976 10.976 1.00 0.72 C ATOM 618 O LYS A 40 -7.989 8.163 11.049 1.00 1.17 O ATOM 619 CB LYS A 40 -10.062 5.766 12.272 1.00 1.52 C ATOM 620 CG LYS A 40 -9.875 6.569 13.554 1.00 2.18 C ATOM 621 CD LYS A 40 -10.723 7.835 13.566 1.00 2.89 C ATOM 622 CE LYS A 40 -12.209 7.524 13.493 1.00 3.36 C ATOM 623 NZ LYS A 40 -13.029 8.762 13.461 1.00 3.76 N ATOM 0 H LYS A 40 -9.217 5.359 9.380 1.00 0.86 H new ATOM 0 HA LYS A 40 -10.404 7.435 10.990 1.00 0.97 H new ATOM 0 HB2 LYS A 40 -11.088 5.401 12.230 1.00 1.52 H new ATOM 0 HB3 LYS A 40 -9.414 4.890 12.306 1.00 1.52 H new ATOM 0 HG2 LYS A 40 -10.138 5.949 14.411 1.00 2.18 H new ATOM 0 HG3 LYS A 40 -8.824 6.836 13.664 1.00 2.18 H new ATOM 0 HD2 LYS A 40 -10.515 8.402 14.473 1.00 2.89 H new ATOM 0 HD3 LYS A 40 -10.443 8.467 12.724 1.00 2.89 H new ATOM 0 HE2 LYS A 40 -12.413 6.929 12.602 1.00 3.36 H new ATOM 0 HE3 LYS A 40 -12.497 6.919 14.353 1.00 3.36 H new ATOM 0 HZ1 LYS A 40 -14.037 8.510 13.411 1.00 3.76 H new ATOM 0 HZ2 LYS A 40 -12.853 9.317 14.323 1.00 3.76 H new ATOM 0 HZ3 LYS A 40 -12.772 9.327 12.627 1.00 3.76 H new ATOM 637 N GLY A 41 -7.429 5.997 10.853 1.00 0.71 N ATOM 638 CA GLY A 41 -6.016 6.275 10.808 1.00 1.13 C ATOM 639 C GLY A 41 -5.340 5.647 9.608 1.00 0.94 C ATOM 640 O GLY A 41 -5.607 6.021 8.465 1.00 1.09 O ATOM 0 H GLY A 41 -7.673 5.009 10.783 1.00 0.71 H new ATOM 0 HA2 GLY A 41 -5.862 7.354 10.785 1.00 1.13 H new ATOM 0 HA3 GLY A 41 -5.547 5.906 11.720 1.00 1.13 H new ATOM 644 N THR A 42 -4.474 4.685 9.876 1.00 0.82 N ATOM 645 CA THR A 42 -3.677 4.027 8.849 1.00 0.68 C ATOM 646 C THR A 42 -3.323 2.615 9.294 1.00 0.65 C ATOM 647 O THR A 42 -3.487 2.263 10.464 1.00 0.75 O ATOM 648 CB THR A 42 -2.384 4.816 8.576 1.00 0.69 C ATOM 649 OG1 THR A 42 -1.952 5.489 9.768 1.00 0.81 O ATOM 650 CG2 THR A 42 -2.598 5.817 7.457 1.00 0.71 C ATOM 0 H THR A 42 -4.301 4.334 10.818 1.00 0.82 H new ATOM 0 HA THR A 42 -4.265 3.986 7.932 1.00 0.68 H new ATOM 0 HB THR A 42 -1.609 4.114 8.268 1.00 0.69 H new ATOM 0 HG1 THR A 42 -1.128 5.986 9.583 1.00 0.81 H new ATOM 0 HG21 THR A 42 -1.673 6.366 7.278 1.00 0.71 H new ATOM 0 HG22 THR A 42 -2.889 5.290 6.548 1.00 0.71 H new ATOM 0 HG23 THR A 42 -3.385 6.516 7.739 1.00 0.71 H new ATOM 658 N ARG A 43 -2.831 1.818 8.372 1.00 0.58 N ATOM 659 CA ARG A 43 -2.440 0.459 8.673 1.00 0.58 C ATOM 660 C ARG A 43 -1.030 0.277 8.174 1.00 0.52 C ATOM 661 O ARG A 43 -0.799 0.231 6.966 1.00 0.50 O ATOM 662 CB ARG A 43 -3.382 -0.521 7.993 1.00 0.67 C ATOM 663 CG ARG A 43 -3.325 -1.937 8.536 1.00 0.86 C ATOM 664 CD ARG A 43 -3.988 -2.059 9.902 1.00 1.27 C ATOM 665 NE ARG A 43 -3.100 -1.686 11.000 1.00 1.59 N ATOM 666 CZ ARG A 43 -3.522 -1.411 12.235 1.00 2.26 C ATOM 667 NH1 ARG A 43 -4.818 -1.421 12.515 1.00 2.74 N ATOM 668 NH2 ARG A 43 -2.644 -1.129 13.189 1.00 3.01 N ATOM 0 H ARG A 43 -2.691 2.091 7.399 1.00 0.58 H new ATOM 0 HA ARG A 43 -2.490 0.269 9.745 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -4.402 -0.150 8.090 1.00 0.67 H new ATOM 0 HB3 ARG A 43 -3.152 -0.545 6.928 1.00 0.67 H new ATOM 0 HG2 ARG A 43 -3.815 -2.613 7.835 1.00 0.86 H new ATOM 0 HG3 ARG A 43 -2.285 -2.254 8.610 1.00 0.86 H new ATOM 0 HD2 ARG A 43 -4.875 -1.426 9.928 1.00 1.27 H new ATOM 0 HD3 ARG A 43 -4.325 -3.086 10.046 1.00 1.27 H new ATOM 0 HE ARG A 43 -2.099 -1.633 10.811 1.00 1.59 H new ATOM 0 HH11 ARG A 43 -5.496 -1.640 11.785 1.00 2.74 H new ATOM 0 HH12 ARG A 43 -5.137 -1.210 13.461 1.00 2.74 H new ATOM 0 HH21 ARG A 43 -1.646 -1.122 12.978 1.00 3.01 H new ATOM 0 HH22 ARG A 43 -2.967 -0.919 14.133 1.00 3.01 H new ATOM 682 N ILE A 44 -0.083 0.202 9.088 1.00 0.52 N ATOM 683 CA ILE A 44 1.302 0.275 8.693 1.00 0.51 C ATOM 684 C ILE A 44 2.017 -1.040 8.850 1.00 0.58 C ATOM 685 O ILE A 44 2.180 -1.581 9.944 1.00 0.66 O ATOM 686 CB ILE A 44 2.074 1.382 9.416 1.00 0.53 C ATOM 687 CG1 ILE A 44 1.411 2.722 9.146 1.00 0.56 C ATOM 688 CG2 ILE A 44 3.504 1.417 8.915 1.00 0.59 C ATOM 689 CD1 ILE A 44 0.321 3.086 10.130 1.00 0.61 C ATOM 0 H ILE A 44 -0.245 0.093 10.089 1.00 0.52 H new ATOM 0 HA ILE A 44 1.278 0.526 7.633 1.00 0.51 H new ATOM 0 HB ILE A 44 2.071 1.183 10.488 1.00 0.53 H new ATOM 0 HG12 ILE A 44 2.173 3.501 9.161 1.00 0.56 H new ATOM 0 HG13 ILE A 44 0.988 2.709 8.141 1.00 0.56 H new ATOM 0 HG21 ILE A 44 4.051 2.206 9.431 1.00 0.59 H new ATOM 0 HG22 ILE A 44 3.981 0.457 9.110 1.00 0.59 H new ATOM 0 HG23 ILE A 44 3.509 1.614 7.843 1.00 0.59 H new ATOM 0 HD11 ILE A 44 -0.099 4.056 9.865 1.00 0.61 H new ATOM 0 HD12 ILE A 44 -0.464 2.330 10.100 1.00 0.61 H new ATOM 0 HD13 ILE A 44 0.740 3.134 11.135 1.00 0.61 H new ATOM 701 N ILE A 45 2.425 -1.520 7.711 1.00 0.61 N ATOM 702 CA ILE A 45 3.100 -2.744 7.532 1.00 0.74 C ATOM 703 C ILE A 45 4.506 -2.437 7.023 1.00 0.77 C ATOM 704 O ILE A 45 4.697 -1.416 6.374 1.00 0.79 O ATOM 705 CB ILE A 45 2.275 -3.493 6.528 1.00 0.95 C ATOM 706 CG1 ILE A 45 3.153 -4.249 5.637 1.00 1.11 C ATOM 707 CG2 ILE A 45 1.392 -2.543 5.726 1.00 1.62 C ATOM 708 CD1 ILE A 45 2.438 -4.511 4.389 1.00 1.20 C ATOM 0 H ILE A 45 2.278 -1.023 6.833 1.00 0.61 H new ATOM 0 HA ILE A 45 3.212 -3.336 8.441 1.00 0.74 H new ATOM 0 HB ILE A 45 1.622 -4.184 7.061 1.00 0.95 H new ATOM 0 HG12 ILE A 45 4.066 -3.687 5.439 1.00 1.11 H new ATOM 0 HG13 ILE A 45 3.451 -5.187 6.106 1.00 1.11 H new ATOM 0 HG21 ILE A 45 0.805 -3.113 5.006 1.00 1.62 H new ATOM 0 HG22 ILE A 45 0.721 -2.012 6.402 1.00 1.62 H new ATOM 0 HG23 ILE A 45 2.018 -1.824 5.197 1.00 1.62 H new ATOM 0 HD11 ILE A 45 3.081 -5.075 3.713 1.00 1.20 H new ATOM 0 HD12 ILE A 45 1.538 -5.088 4.600 1.00 1.20 H new ATOM 0 HD13 ILE A 45 2.162 -3.565 3.923 1.00 1.20 H new ATOM 720 N LYS A 46 5.499 -3.260 7.317 1.00 0.90 N ATOM 721 CA LYS A 46 6.856 -2.902 6.926 1.00 0.97 C ATOM 722 C LYS A 46 7.741 -4.111 6.649 1.00 1.10 C ATOM 723 O LYS A 46 7.360 -5.252 6.886 1.00 1.20 O ATOM 724 CB LYS A 46 7.489 -2.017 8.005 1.00 1.10 C ATOM 725 CG LYS A 46 7.498 -2.632 9.392 1.00 1.35 C ATOM 726 CD LYS A 46 8.028 -1.647 10.420 1.00 1.85 C ATOM 727 CE LYS A 46 7.930 -2.201 11.831 1.00 2.11 C ATOM 728 NZ LYS A 46 6.531 -2.542 12.201 1.00 2.65 N ATOM 0 H LYS A 46 5.401 -4.149 7.807 1.00 0.90 H new ATOM 0 HA LYS A 46 6.782 -2.354 5.987 1.00 0.97 H new ATOM 0 HB2 LYS A 46 8.515 -1.789 7.715 1.00 1.10 H new ATOM 0 HB3 LYS A 46 6.950 -1.070 8.044 1.00 1.10 H new ATOM 0 HG2 LYS A 46 6.488 -2.939 9.664 1.00 1.35 H new ATOM 0 HG3 LYS A 46 8.115 -3.530 9.392 1.00 1.35 H new ATOM 0 HD2 LYS A 46 9.067 -1.409 10.194 1.00 1.85 H new ATOM 0 HD3 LYS A 46 7.466 -0.715 10.355 1.00 1.85 H new ATOM 0 HE2 LYS A 46 8.554 -3.091 11.915 1.00 2.11 H new ATOM 0 HE3 LYS A 46 8.323 -1.468 12.536 1.00 2.11 H new ATOM 0 HZ1 LYS A 46 6.459 -2.638 13.234 1.00 2.65 H new ATOM 0 HZ2 LYS A 46 5.893 -1.787 11.878 1.00 2.65 H new ATOM 0 HZ3 LYS A 46 6.262 -3.440 11.750 1.00 2.65 H new ATOM 742 N PHE A 47 8.932 -3.816 6.139 1.00 1.20 N ATOM 743 CA PHE A 47 9.979 -4.796 5.893 1.00 1.41 C ATOM 744 C PHE A 47 11.264 -4.089 6.234 1.00 1.59 C ATOM 745 O PHE A 47 11.472 -2.942 5.845 1.00 1.68 O ATOM 746 CB PHE A 47 10.013 -5.303 4.430 1.00 1.50 C ATOM 747 CG PHE A 47 11.064 -6.375 4.141 1.00 1.87 C ATOM 748 CD1 PHE A 47 12.406 -6.037 4.117 1.00 2.53 C ATOM 749 CD2 PHE A 47 10.727 -7.716 3.885 1.00 2.17 C ATOM 750 CE1 PHE A 47 13.376 -6.981 3.859 1.00 3.14 C ATOM 751 CE2 PHE A 47 11.704 -8.653 3.627 1.00 2.69 C ATOM 752 CZ PHE A 47 13.027 -8.287 3.617 1.00 3.10 C ATOM 0 H PHE A 47 9.200 -2.867 5.880 1.00 1.20 H new ATOM 0 HA PHE A 47 9.808 -5.689 6.494 1.00 1.41 H new ATOM 0 HB2 PHE A 47 9.031 -5.701 4.177 1.00 1.50 H new ATOM 0 HB3 PHE A 47 10.192 -4.453 3.771 1.00 1.50 H new ATOM 0 HD1 PHE A 47 12.698 -5.014 4.304 1.00 2.53 H new ATOM 0 HD2 PHE A 47 9.689 -8.015 3.891 1.00 2.17 H new ATOM 0 HE1 PHE A 47 14.417 -6.692 3.847 1.00 3.14 H new ATOM 0 HE2 PHE A 47 11.428 -9.679 3.432 1.00 2.69 H new ATOM 0 HZ PHE A 47 13.791 -9.024 3.419 1.00 3.10 H new ATOM 762 N LYS A 48 12.111 -4.761 6.953 1.00 1.83 N ATOM 763 CA LYS A 48 13.219 -4.094 7.598 1.00 2.13 C ATOM 764 C LYS A 48 14.447 -4.997 7.651 1.00 2.50 C ATOM 765 O LYS A 48 14.904 -5.408 8.719 1.00 3.01 O ATOM 766 CB LYS A 48 12.764 -3.636 8.982 1.00 2.46 C ATOM 767 CG LYS A 48 12.306 -4.759 9.906 1.00 3.10 C ATOM 768 CD LYS A 48 11.928 -4.230 11.282 1.00 3.81 C ATOM 769 CE LYS A 48 11.536 -5.355 12.230 1.00 4.36 C ATOM 770 NZ LYS A 48 10.261 -6.010 11.834 1.00 4.90 N ATOM 0 H LYS A 48 12.063 -5.767 7.112 1.00 1.83 H new ATOM 0 HA LYS A 48 13.520 -3.218 7.023 1.00 2.13 H new ATOM 0 HB2 LYS A 48 13.585 -3.102 9.461 1.00 2.46 H new ATOM 0 HB3 LYS A 48 11.946 -2.925 8.864 1.00 2.46 H new ATOM 0 HG2 LYS A 48 11.450 -5.269 9.464 1.00 3.10 H new ATOM 0 HG3 LYS A 48 13.102 -5.497 10.005 1.00 3.10 H new ATOM 0 HD2 LYS A 48 12.768 -3.676 11.702 1.00 3.81 H new ATOM 0 HD3 LYS A 48 11.099 -3.529 11.187 1.00 3.81 H new ATOM 0 HE2 LYS A 48 12.332 -6.100 12.255 1.00 4.36 H new ATOM 0 HE3 LYS A 48 11.439 -4.958 13.241 1.00 4.36 H new ATOM 0 HZ1 LYS A 48 9.992 -6.711 12.554 1.00 4.90 H new ATOM 0 HZ2 LYS A 48 9.513 -5.292 11.753 1.00 4.90 H new ATOM 0 HZ3 LYS A 48 10.385 -6.486 10.918 1.00 4.90 H new ATOM 784 N ASP A 49 14.965 -5.291 6.467 1.00 2.76 N ATOM 785 CA ASP A 49 16.091 -6.202 6.280 1.00 3.32 C ATOM 786 C ASP A 49 16.377 -6.264 4.781 1.00 3.36 C ATOM 787 O ASP A 49 15.847 -5.440 4.033 1.00 3.77 O ATOM 788 CB ASP A 49 15.738 -7.595 6.829 1.00 4.26 C ATOM 789 CG ASP A 49 16.940 -8.509 6.947 1.00 4.93 C ATOM 790 OD1 ASP A 49 17.102 -9.400 6.091 1.00 5.45 O ATOM 791 OD2 ASP A 49 17.732 -8.336 7.896 1.00 5.24 O ATOM 0 H ASP A 49 14.611 -4.899 5.595 1.00 2.76 H new ATOM 0 HA ASP A 49 16.972 -5.853 6.818 1.00 3.32 H new ATOM 0 HB2 ASP A 49 15.274 -7.486 7.809 1.00 4.26 H new ATOM 0 HB3 ASP A 49 14.998 -8.059 6.177 1.00 4.26 H new ATOM 796 N ASP A 50 17.200 -7.205 4.333 1.00 3.50 N ATOM 797 CA ASP A 50 17.414 -7.391 2.898 1.00 3.96 C ATOM 798 C ASP A 50 18.112 -8.713 2.605 1.00 4.13 C ATOM 799 O ASP A 50 18.709 -8.893 1.546 1.00 4.41 O ATOM 800 CB ASP A 50 18.218 -6.225 2.319 1.00 4.66 C ATOM 801 CG ASP A 50 18.077 -6.096 0.813 1.00 5.23 C ATOM 802 OD1 ASP A 50 19.051 -6.395 0.087 1.00 5.65 O ATOM 803 OD2 ASP A 50 16.995 -5.675 0.348 1.00 5.56 O ATOM 0 H ASP A 50 17.724 -7.844 4.931 1.00 3.50 H new ATOM 0 HA ASP A 50 16.435 -7.416 2.419 1.00 3.96 H new ATOM 0 HB2 ASP A 50 17.892 -5.297 2.789 1.00 4.66 H new ATOM 0 HB3 ASP A 50 19.271 -6.357 2.570 1.00 4.66 H new ATOM 808 N GLY A 51 18.027 -9.645 3.536 1.00 4.42 N ATOM 809 CA GLY A 51 18.623 -10.945 3.321 1.00 5.01 C ATOM 810 C GLY A 51 17.743 -12.065 3.814 1.00 5.12 C ATOM 811 O GLY A 51 18.126 -13.235 3.768 1.00 5.72 O ATOM 0 H GLY A 51 17.558 -9.527 4.434 1.00 4.42 H new ATOM 0 HA2 GLY A 51 18.819 -11.081 2.257 1.00 5.01 H new ATOM 0 HA3 GLY A 51 19.585 -10.990 3.831 1.00 5.01 H new ATOM 815 N THR A 52 16.555 -11.712 4.276 1.00 4.86 N ATOM 816 CA THR A 52 15.646 -12.688 4.856 1.00 5.25 C ATOM 817 C THR A 52 14.227 -12.507 4.353 1.00 5.04 C ATOM 818 O THR A 52 13.842 -11.423 3.901 1.00 4.76 O ATOM 819 CB THR A 52 15.626 -12.603 6.383 1.00 5.76 C ATOM 820 OG1 THR A 52 15.272 -11.281 6.809 1.00 5.54 O ATOM 821 CG2 THR A 52 16.967 -12.985 6.975 1.00 6.40 C ATOM 0 H THR A 52 16.197 -10.757 4.261 1.00 4.86 H new ATOM 0 HA THR A 52 16.020 -13.664 4.547 1.00 5.25 H new ATOM 0 HB THR A 52 14.877 -13.310 6.740 1.00 5.76 H new ATOM 0 HG1 THR A 52 15.923 -10.639 6.457 1.00 5.54 H new ATOM 0 HG21 THR A 52 16.919 -12.914 8.062 1.00 6.40 H new ATOM 0 HG22 THR A 52 17.213 -14.008 6.689 1.00 6.40 H new ATOM 0 HG23 THR A 52 17.736 -12.309 6.601 1.00 6.40 H new ATOM 829 N GLU A 53 13.454 -13.577 4.446 1.00 5.50 N ATOM 830 CA GLU A 53 12.042 -13.539 4.132 1.00 5.71 C ATOM 831 C GLU A 53 11.275 -12.962 5.313 1.00 5.89 C ATOM 832 O GLU A 53 10.462 -13.642 5.940 1.00 6.33 O ATOM 833 CB GLU A 53 11.534 -14.941 3.806 1.00 6.53 C ATOM 834 CG GLU A 53 12.148 -15.535 2.554 1.00 6.78 C ATOM 835 CD GLU A 53 11.639 -16.930 2.276 1.00 7.39 C ATOM 836 OE1 GLU A 53 10.520 -17.064 1.742 1.00 7.81 O ATOM 837 OE2 GLU A 53 12.354 -17.901 2.590 1.00 7.67 O ATOM 0 H GLU A 53 13.791 -14.493 4.741 1.00 5.50 H new ATOM 0 HA GLU A 53 11.886 -12.905 3.259 1.00 5.71 H new ATOM 0 HB2 GLU A 53 11.743 -15.599 4.650 1.00 6.53 H new ATOM 0 HB3 GLU A 53 10.451 -14.907 3.688 1.00 6.53 H new ATOM 0 HG2 GLU A 53 11.926 -14.892 1.702 1.00 6.78 H new ATOM 0 HG3 GLU A 53 13.233 -15.560 2.660 1.00 6.78 H new ATOM 844 N ARG A 54 11.559 -11.707 5.619 1.00 5.89 N ATOM 845 CA ARG A 54 10.927 -11.031 6.738 1.00 6.41 C ATOM 846 C ARG A 54 9.533 -10.476 6.391 1.00 5.90 C ATOM 847 O ARG A 54 8.614 -10.580 7.203 1.00 6.48 O ATOM 848 CB ARG A 54 11.851 -9.918 7.245 1.00 7.06 C ATOM 849 CG ARG A 54 11.351 -9.213 8.496 1.00 7.90 C ATOM 850 CD ARG A 54 12.479 -8.479 9.205 1.00 8.75 C ATOM 851 NE ARG A 54 13.467 -9.407 9.758 1.00 9.31 N ATOM 852 CZ ARG A 54 14.650 -9.047 10.259 1.00 10.15 C ATOM 853 NH1 ARG A 54 15.029 -7.774 10.252 1.00 10.53 N ATOM 854 NH2 ARG A 54 15.465 -9.968 10.758 1.00 10.77 N ATOM 0 H ARG A 54 12.227 -11.133 5.104 1.00 5.89 H new ATOM 0 HA ARG A 54 10.770 -11.767 7.526 1.00 6.41 H new ATOM 0 HB2 ARG A 54 12.834 -10.342 7.449 1.00 7.06 H new ATOM 0 HB3 ARG A 54 11.981 -9.180 6.453 1.00 7.06 H new ATOM 0 HG2 ARG A 54 10.566 -8.506 8.228 1.00 7.90 H new ATOM 0 HG3 ARG A 54 10.906 -9.942 9.174 1.00 7.90 H new ATOM 0 HD2 ARG A 54 12.968 -7.801 8.505 1.00 8.75 H new ATOM 0 HD3 ARG A 54 12.067 -7.866 10.007 1.00 8.75 H new ATOM 0 HE ARG A 54 13.234 -10.400 9.760 1.00 9.31 H new ATOM 0 HH11 ARG A 54 14.413 -7.061 9.861 1.00 10.53 H new ATOM 0 HH12 ARG A 54 15.936 -7.510 10.638 1.00 10.53 H new ATOM 0 HH21 ARG A 54 15.187 -10.949 10.758 1.00 10.77 H new ATOM 0 HH22 ARG A 54 16.370 -9.695 11.141 1.00 10.77 H new ATOM 868 N SER A 55 9.355 -9.896 5.194 1.00 5.08 N ATOM 869 CA SER A 55 8.094 -9.207 4.872 1.00 4.86 C ATOM 870 C SER A 55 7.781 -9.100 3.332 1.00 3.87 C ATOM 871 O SER A 55 7.097 -9.973 2.825 1.00 3.94 O ATOM 872 CB SER A 55 8.098 -7.850 5.565 1.00 5.52 C ATOM 873 OG SER A 55 8.173 -7.984 6.974 1.00 6.28 O ATOM 0 H SER A 55 10.050 -9.889 4.448 1.00 5.08 H new ATOM 0 HA SER A 55 7.273 -9.817 5.250 1.00 4.86 H new ATOM 0 HB2 SER A 55 8.944 -7.262 5.209 1.00 5.52 H new ATOM 0 HB3 SER A 55 7.194 -7.302 5.299 1.00 5.52 H new ATOM 0 HG SER A 55 7.969 -8.909 7.226 1.00 6.28 H new ATOM 879 N ARG A 56 8.239 -8.027 2.614 1.00 3.37 N ATOM 880 CA ARG A 56 8.143 -7.908 1.139 1.00 2.70 C ATOM 881 C ARG A 56 6.694 -8.004 0.622 1.00 2.24 C ATOM 882 O ARG A 56 6.013 -9.014 0.763 1.00 2.47 O ATOM 883 CB ARG A 56 9.060 -8.914 0.529 1.00 3.43 C ATOM 884 CG ARG A 56 10.022 -8.307 -0.480 1.00 4.15 C ATOM 885 CD ARG A 56 11.321 -7.854 0.161 1.00 4.75 C ATOM 886 NE ARG A 56 12.174 -8.990 0.525 1.00 5.53 N ATOM 887 CZ ARG A 56 13.484 -9.053 0.265 1.00 6.18 C ATOM 888 NH1 ARG A 56 14.087 -8.080 -0.410 1.00 6.21 N ATOM 889 NH2 ARG A 56 14.190 -10.103 0.664 1.00 7.08 N ATOM 0 H ARG A 56 8.685 -7.222 3.053 1.00 3.37 H new ATOM 0 HA ARG A 56 8.461 -6.911 0.834 1.00 2.70 H new ATOM 0 HB2 ARG A 56 9.631 -9.403 1.318 1.00 3.43 H new ATOM 0 HB3 ARG A 56 8.468 -9.687 0.039 1.00 3.43 H new ATOM 0 HG2 ARG A 56 10.239 -9.040 -1.257 1.00 4.15 H new ATOM 0 HG3 ARG A 56 9.545 -7.457 -0.968 1.00 4.15 H new ATOM 0 HD2 ARG A 56 11.858 -7.202 -0.528 1.00 4.75 H new ATOM 0 HD3 ARG A 56 11.101 -7.265 1.051 1.00 4.75 H new ATOM 0 HE ARG A 56 11.742 -9.779 1.005 1.00 5.53 H new ATOM 0 HH11 ARG A 56 13.550 -7.276 -0.735 1.00 6.21 H new ATOM 0 HH12 ARG A 56 15.087 -8.137 -0.603 1.00 6.21 H new ATOM 0 HH21 ARG A 56 13.733 -10.862 1.169 1.00 7.08 H new ATOM 0 HH22 ARG A 56 15.189 -10.151 0.466 1.00 7.08 H new ATOM 903 N TRP A 57 6.244 -6.933 -0.031 1.00 1.83 N ATOM 904 CA TRP A 57 4.809 -6.674 -0.156 1.00 1.49 C ATOM 905 C TRP A 57 4.350 -6.082 -1.518 1.00 1.19 C ATOM 906 O TRP A 57 4.944 -5.142 -2.031 1.00 1.43 O ATOM 907 CB TRP A 57 4.442 -5.678 0.937 1.00 1.69 C ATOM 908 CG TRP A 57 5.013 -5.996 2.291 1.00 1.83 C ATOM 909 CD1 TRP A 57 6.220 -5.573 2.769 1.00 1.56 C ATOM 910 CD2 TRP A 57 4.419 -6.780 3.340 1.00 2.78 C ATOM 911 NE1 TRP A 57 6.420 -6.044 4.036 1.00 1.85 N ATOM 912 CE2 TRP A 57 5.316 -6.771 4.420 1.00 2.70 C ATOM 913 CE3 TRP A 57 3.218 -7.481 3.483 1.00 3.91 C ATOM 914 CZ2 TRP A 57 5.042 -7.428 5.620 1.00 3.65 C ATOM 915 CZ3 TRP A 57 2.953 -8.128 4.670 1.00 4.90 C ATOM 916 CH2 TRP A 57 3.859 -8.091 5.726 1.00 4.75 C ATOM 0 H TRP A 57 6.843 -6.238 -0.477 1.00 1.83 H new ATOM 0 HA TRP A 57 4.309 -7.639 -0.073 1.00 1.49 H new ATOM 0 HB2 TRP A 57 4.783 -4.687 0.637 1.00 1.69 H new ATOM 0 HB3 TRP A 57 3.356 -5.630 1.017 1.00 1.69 H new ATOM 0 HD1 TRP A 57 6.917 -4.954 2.223 1.00 1.56 H new ATOM 0 HE1 TRP A 57 7.252 -5.883 4.604 1.00 1.85 H new ATOM 0 HE3 TRP A 57 2.506 -7.515 2.672 1.00 3.91 H new ATOM 0 HZ2 TRP A 57 5.747 -7.411 6.438 1.00 3.65 H new ATOM 0 HZ3 TRP A 57 2.027 -8.673 4.783 1.00 4.90 H new ATOM 0 HH2 TRP A 57 3.618 -8.599 6.648 1.00 4.75 H new ATOM 927 N ASN A 58 3.286 -6.671 -2.086 1.00 0.91 N ATOM 928 CA ASN A 58 2.412 -6.017 -3.094 1.00 0.71 C ATOM 929 C ASN A 58 0.970 -6.348 -2.741 1.00 0.59 C ATOM 930 O ASN A 58 0.613 -7.523 -2.674 1.00 0.71 O ATOM 931 CB ASN A 58 2.714 -6.497 -4.515 1.00 0.74 C ATOM 932 CG ASN A 58 1.574 -6.265 -5.497 1.00 1.23 C ATOM 933 OD1 ASN A 58 1.471 -5.209 -6.105 1.00 2.05 O ATOM 934 ND2 ASN A 58 0.722 -7.265 -5.675 1.00 1.91 N ATOM 0 H ASN A 58 2.999 -7.624 -1.862 1.00 0.91 H new ATOM 0 HA ASN A 58 2.592 -4.942 -3.074 1.00 0.71 H new ATOM 0 HB2 ASN A 58 3.605 -5.986 -4.880 1.00 0.74 H new ATOM 0 HB3 ASN A 58 2.946 -7.562 -4.487 1.00 0.74 H new ATOM 0 HD21 ASN A 58 -0.049 -7.167 -6.336 1.00 1.91 H new ATOM 0 HD22 ASN A 58 0.837 -8.133 -5.151 1.00 1.91 H new ATOM 941 N CYS A 59 0.141 -5.345 -2.504 1.00 0.55 N ATOM 942 CA CYS A 59 -1.128 -5.600 -1.841 1.00 0.50 C ATOM 943 C CYS A 59 -2.313 -5.594 -2.778 1.00 0.44 C ATOM 944 O CYS A 59 -2.327 -4.942 -3.820 1.00 0.56 O ATOM 945 CB CYS A 59 -1.350 -4.640 -0.666 1.00 0.60 C ATOM 946 SG CYS A 59 0.036 -3.510 -0.319 1.00 0.76 S ATOM 0 H CYS A 59 0.316 -4.371 -2.753 1.00 0.55 H new ATOM 0 HA CYS A 59 -1.057 -6.615 -1.450 1.00 0.50 H new ATOM 0 HB2 CYS A 59 -2.242 -4.046 -0.866 1.00 0.60 H new ATOM 0 HB3 CYS A 59 -1.553 -5.227 0.230 1.00 0.60 H new ATOM 951 N LEU A 60 -3.310 -6.353 -2.366 1.00 0.36 N ATOM 952 CA LEU A 60 -4.521 -6.541 -3.110 1.00 0.34 C ATOM 953 C LEU A 60 -5.662 -6.204 -2.177 1.00 0.29 C ATOM 954 O LEU A 60 -5.716 -6.733 -1.074 1.00 0.32 O ATOM 955 CB LEU A 60 -4.613 -8.003 -3.561 1.00 0.44 C ATOM 956 CG LEU A 60 -5.809 -8.357 -4.441 1.00 1.27 C ATOM 957 CD1 LEU A 60 -5.606 -7.832 -5.851 1.00 1.90 C ATOM 958 CD2 LEU A 60 -6.027 -9.860 -4.453 1.00 1.85 C ATOM 0 H LEU A 60 -3.291 -6.864 -1.483 1.00 0.36 H new ATOM 0 HA LEU A 60 -4.553 -5.909 -3.997 1.00 0.34 H new ATOM 0 HB2 LEU A 60 -3.701 -8.253 -4.103 1.00 0.44 H new ATOM 0 HB3 LEU A 60 -4.640 -8.635 -2.674 1.00 0.44 H new ATOM 0 HG LEU A 60 -6.699 -7.883 -4.027 1.00 1.27 H new ATOM 0 HD11 LEU A 60 -6.468 -8.094 -6.464 1.00 1.90 H new ATOM 0 HD12 LEU A 60 -5.496 -6.748 -5.823 1.00 1.90 H new ATOM 0 HD13 LEU A 60 -4.708 -8.277 -6.279 1.00 1.90 H new ATOM 0 HD21 LEU A 60 -6.883 -10.098 -5.084 1.00 1.85 H new ATOM 0 HD22 LEU A 60 -5.138 -10.353 -4.846 1.00 1.85 H new ATOM 0 HD23 LEU A 60 -6.217 -10.208 -3.438 1.00 1.85 H new ATOM 970 N PHE A 61 -6.559 -5.347 -2.596 1.00 0.29 N ATOM 971 CA PHE A 61 -7.618 -4.905 -1.716 1.00 0.28 C ATOM 972 C PHE A 61 -8.860 -5.720 -2.004 1.00 0.37 C ATOM 973 O PHE A 61 -9.350 -5.724 -3.123 1.00 0.48 O ATOM 974 CB PHE A 61 -7.955 -3.418 -1.921 1.00 0.32 C ATOM 975 CG PHE A 61 -6.937 -2.418 -1.450 1.00 0.30 C ATOM 976 CD1 PHE A 61 -5.583 -2.696 -1.387 1.00 0.59 C ATOM 977 CD2 PHE A 61 -7.362 -1.156 -1.111 1.00 0.54 C ATOM 978 CE1 PHE A 61 -4.687 -1.730 -1.000 1.00 0.63 C ATOM 979 CE2 PHE A 61 -6.484 -0.189 -0.724 1.00 0.57 C ATOM 980 CZ PHE A 61 -5.134 -0.464 -0.669 1.00 0.37 C ATOM 0 H PHE A 61 -6.580 -4.943 -3.532 1.00 0.29 H new ATOM 0 HA PHE A 61 -7.279 -5.040 -0.689 1.00 0.28 H new ATOM 0 HB2 PHE A 61 -8.126 -3.253 -2.985 1.00 0.32 H new ATOM 0 HB3 PHE A 61 -8.896 -3.210 -1.411 1.00 0.32 H new ATOM 0 HD1 PHE A 61 -5.227 -3.683 -1.645 1.00 0.59 H new ATOM 0 HD2 PHE A 61 -8.416 -0.925 -1.152 1.00 0.54 H new ATOM 0 HE1 PHE A 61 -3.633 -1.959 -0.954 1.00 0.63 H new ATOM 0 HE2 PHE A 61 -6.846 0.794 -0.460 1.00 0.57 H new ATOM 0 HZ PHE A 61 -4.433 0.301 -0.371 1.00 0.37 H new ATOM 990 N ARG A 62 -9.342 -6.426 -1.003 1.00 0.47 N ATOM 991 CA ARG A 62 -10.494 -7.298 -1.159 1.00 0.66 C ATOM 992 C ARG A 62 -11.393 -7.188 0.065 1.00 0.89 C ATOM 993 O ARG A 62 -10.897 -7.052 1.180 1.00 1.05 O ATOM 994 CB ARG A 62 -10.006 -8.742 -1.335 1.00 0.84 C ATOM 995 CG ARG A 62 -11.109 -9.787 -1.435 1.00 1.49 C ATOM 996 CD ARG A 62 -11.930 -9.636 -2.704 1.00 1.88 C ATOM 997 NE ARG A 62 -12.721 -10.837 -2.974 1.00 2.29 N ATOM 998 CZ ARG A 62 -13.629 -10.936 -3.945 1.00 2.86 C ATOM 999 NH1 ARG A 62 -13.914 -9.888 -4.705 1.00 3.11 N ATOM 1000 NH2 ARG A 62 -14.259 -12.087 -4.147 1.00 3.63 N ATOM 0 H ARG A 62 -8.951 -6.414 -0.061 1.00 0.47 H new ATOM 0 HA ARG A 62 -11.068 -7.002 -2.037 1.00 0.66 H new ATOM 0 HB2 ARG A 62 -9.393 -8.795 -2.235 1.00 0.84 H new ATOM 0 HB3 ARG A 62 -9.360 -8.996 -0.494 1.00 0.84 H new ATOM 0 HG2 ARG A 62 -10.667 -10.783 -1.407 1.00 1.49 H new ATOM 0 HG3 ARG A 62 -11.765 -9.705 -0.568 1.00 1.49 H new ATOM 0 HD2 ARG A 62 -12.593 -8.776 -2.610 1.00 1.88 H new ATOM 0 HD3 ARG A 62 -11.267 -9.438 -3.546 1.00 1.88 H new ATOM 0 HE ARG A 62 -12.568 -11.652 -2.380 1.00 2.29 H new ATOM 0 HH11 ARG A 62 -13.438 -9.000 -4.548 1.00 3.11 H new ATOM 0 HH12 ARG A 62 -14.610 -9.970 -5.446 1.00 3.11 H new ATOM 0 HH21 ARG A 62 -14.048 -12.894 -3.560 1.00 3.63 H new ATOM 0 HH22 ARG A 62 -14.954 -12.164 -4.889 1.00 3.63 H new ATOM 1014 N GLN A 63 -12.704 -7.204 -0.157 1.00 1.13 N ATOM 1015 CA GLN A 63 -13.679 -7.243 0.932 1.00 1.48 C ATOM 1016 C GLN A 63 -13.668 -5.942 1.738 1.00 2.09 C ATOM 1017 O GLN A 63 -12.959 -5.816 2.740 1.00 2.68 O ATOM 1018 CB GLN A 63 -13.413 -8.446 1.849 1.00 1.69 C ATOM 1019 CG GLN A 63 -14.429 -8.604 2.968 1.00 2.15 C ATOM 1020 CD GLN A 63 -14.106 -9.754 3.902 1.00 2.52 C ATOM 1021 OE1 GLN A 63 -13.462 -10.786 3.382 1.00 3.00 O flip ATOM 1022 NE2 GLN A 63 -14.435 -9.711 5.087 1.00 3.03 N flip ATOM 0 H GLN A 63 -13.120 -7.190 -1.088 1.00 1.13 H new ATOM 0 HA GLN A 63 -14.669 -7.352 0.489 1.00 1.48 H new ATOM 0 HB2 GLN A 63 -13.406 -9.355 1.247 1.00 1.69 H new ATOM 0 HB3 GLN A 63 -12.419 -8.345 2.285 1.00 1.69 H new ATOM 0 HG2 GLN A 63 -14.476 -7.679 3.542 1.00 2.15 H new ATOM 0 HG3 GLN A 63 -15.417 -8.761 2.535 1.00 2.15 H new ATOM 0 HE21 GLN A 63 -14.931 -8.897 5.449 1.00 3.03 H new ATOM 0 HE22 GLN A 63 -14.212 -10.490 5.707 1.00 3.03 H new ATOM 1031 N GLY A 64 -14.451 -4.975 1.285 1.00 2.55 N ATOM 1032 CA GLY A 64 -14.556 -3.711 1.993 1.00 3.28 C ATOM 1033 C GLY A 64 -15.772 -3.662 2.893 1.00 3.41 C ATOM 1034 O GLY A 64 -15.850 -2.855 3.821 1.00 3.88 O ATOM 0 H GLY A 64 -15.017 -5.041 0.439 1.00 2.55 H new ATOM 0 HA2 GLY A 64 -13.657 -3.554 2.590 1.00 3.28 H new ATOM 0 HA3 GLY A 64 -14.606 -2.895 1.272 1.00 3.28 H new ATOM 1038 N ILE A 65 -16.727 -4.528 2.599 1.00 3.49 N ATOM 1039 CA ILE A 65 -17.952 -4.635 3.369 1.00 3.94 C ATOM 1040 C ILE A 65 -18.581 -6.005 3.140 1.00 4.01 C ATOM 1041 O ILE A 65 -18.873 -6.744 4.083 1.00 4.32 O ATOM 1042 CB ILE A 65 -18.930 -3.504 3.007 1.00 4.22 C ATOM 1043 CG1 ILE A 65 -20.306 -3.718 3.650 1.00 4.91 C ATOM 1044 CG2 ILE A 65 -19.033 -3.376 1.512 1.00 3.92 C ATOM 1045 CD1 ILE A 65 -20.284 -3.698 5.165 1.00 5.57 C ATOM 0 H ILE A 65 -16.673 -5.179 1.816 1.00 3.49 H new ATOM 0 HA ILE A 65 -17.716 -4.531 4.428 1.00 3.94 H new ATOM 0 HB ILE A 65 -18.539 -2.569 3.409 1.00 4.22 H new ATOM 0 HG12 ILE A 65 -20.986 -2.944 3.296 1.00 4.91 H new ATOM 0 HG13 ILE A 65 -20.709 -4.674 3.315 1.00 4.91 H new ATOM 0 HG21 ILE A 65 -19.727 -2.573 1.262 1.00 3.92 H new ATOM 0 HG22 ILE A 65 -18.051 -3.148 1.098 1.00 3.92 H new ATOM 0 HG23 ILE A 65 -19.396 -4.314 1.091 1.00 3.92 H new ATOM 0 HD11 ILE A 65 -21.293 -3.856 5.546 1.00 5.57 H new ATOM 0 HD12 ILE A 65 -19.630 -4.490 5.530 1.00 5.57 H new ATOM 0 HD13 ILE A 65 -19.913 -2.733 5.511 1.00 5.57 H new ATOM 1057 N ASN A 66 -18.770 -6.332 1.871 1.00 4.06 N ATOM 1058 CA ASN A 66 -19.170 -7.662 1.453 1.00 4.27 C ATOM 1059 C ASN A 66 -17.986 -8.284 0.732 1.00 4.09 C ATOM 1060 O ASN A 66 -16.845 -7.918 1.006 1.00 4.26 O ATOM 1061 CB ASN A 66 -20.390 -7.599 0.521 1.00 4.76 C ATOM 1062 CG ASN A 66 -21.603 -6.954 1.168 1.00 5.45 C ATOM 1063 OD1 ASN A 66 -21.776 -6.999 2.385 1.00 5.72 O ATOM 1064 ND2 ASN A 66 -22.464 -6.367 0.350 1.00 6.08 N ATOM 0 H ASN A 66 -18.649 -5.676 1.099 1.00 4.06 H new ATOM 0 HA ASN A 66 -19.455 -8.261 2.318 1.00 4.27 H new ATOM 0 HB2 ASN A 66 -20.125 -7.041 -0.377 1.00 4.76 H new ATOM 0 HB3 ASN A 66 -20.649 -8.609 0.203 1.00 4.76 H new ATOM 0 HD21 ASN A 66 -23.307 -5.931 0.724 1.00 6.08 H new ATOM 0 HD22 ASN A 66 -22.284 -6.351 -0.654 1.00 6.08 H new ATOM 1071 N MET A 67 -18.235 -9.198 -0.194 1.00 4.09 N ATOM 1072 CA MET A 67 -17.162 -9.698 -1.049 1.00 4.13 C ATOM 1073 C MET A 67 -16.763 -8.615 -2.051 1.00 3.60 C ATOM 1074 O MET A 67 -15.735 -8.708 -2.720 1.00 3.77 O ATOM 1075 CB MET A 67 -17.588 -10.977 -1.775 1.00 4.54 C ATOM 1076 CG MET A 67 -17.946 -12.120 -0.836 1.00 5.19 C ATOM 1077 SD MET A 67 -16.591 -12.576 0.266 1.00 6.00 S ATOM 1078 CE MET A 67 -15.387 -13.201 -0.904 1.00 6.30 C ATOM 0 H MET A 67 -19.153 -9.605 -0.373 1.00 4.09 H new ATOM 0 HA MET A 67 -16.302 -9.945 -0.427 1.00 4.13 H new ATOM 0 HB2 MET A 67 -18.447 -10.756 -2.409 1.00 4.54 H new ATOM 0 HB3 MET A 67 -16.780 -11.298 -2.433 1.00 4.54 H new ATOM 0 HG2 MET A 67 -18.813 -11.835 -0.239 1.00 5.19 H new ATOM 0 HG3 MET A 67 -18.237 -12.990 -1.425 1.00 5.19 H new ATOM 0 HE1 MET A 67 -14.608 -13.744 -0.369 1.00 6.30 H new ATOM 0 HE2 MET A 67 -15.879 -13.872 -1.609 1.00 6.30 H new ATOM 0 HE3 MET A 67 -14.941 -12.368 -1.447 1.00 6.30 H new ATOM 1088 N LYS A 68 -17.603 -7.584 -2.131 1.00 3.30 N ATOM 1089 CA LYS A 68 -17.348 -6.416 -2.966 1.00 3.12 C ATOM 1090 C LYS A 68 -16.122 -5.639 -2.489 1.00 2.78 C ATOM 1091 O LYS A 68 -15.583 -5.911 -1.411 1.00 3.25 O ATOM 1092 CB LYS A 68 -18.566 -5.491 -2.952 1.00 3.71 C ATOM 1093 CG LYS A 68 -19.755 -6.011 -3.740 1.00 4.30 C ATOM 1094 CD LYS A 68 -19.483 -5.970 -5.232 1.00 4.85 C ATOM 1095 CE LYS A 68 -20.732 -6.276 -6.040 1.00 5.37 C ATOM 1096 NZ LYS A 68 -20.527 -5.992 -7.483 1.00 5.81 N ATOM 0 H LYS A 68 -18.482 -7.537 -1.616 1.00 3.30 H new ATOM 0 HA LYS A 68 -17.157 -6.770 -3.979 1.00 3.12 H new ATOM 0 HB2 LYS A 68 -18.873 -5.329 -1.919 1.00 3.71 H new ATOM 0 HB3 LYS A 68 -18.275 -4.520 -3.354 1.00 3.71 H new ATOM 0 HG2 LYS A 68 -19.977 -7.034 -3.436 1.00 4.30 H new ATOM 0 HG3 LYS A 68 -20.636 -5.412 -3.512 1.00 4.30 H new ATOM 0 HD2 LYS A 68 -19.105 -4.985 -5.506 1.00 4.85 H new ATOM 0 HD3 LYS A 68 -18.704 -6.691 -5.480 1.00 4.85 H new ATOM 0 HE2 LYS A 68 -21.004 -7.323 -5.909 1.00 5.37 H new ATOM 0 HE3 LYS A 68 -21.565 -5.681 -5.665 1.00 5.37 H new ATOM 0 HZ1 LYS A 68 -21.439 -6.047 -7.981 1.00 5.81 H new ATOM 0 HZ2 LYS A 68 -20.128 -5.038 -7.596 1.00 5.81 H new ATOM 0 HZ3 LYS A 68 -19.870 -6.691 -7.885 1.00 5.81 H new ATOM 1110 N PHE A 69 -15.718 -4.657 -3.300 1.00 2.52 N ATOM 1111 CA PHE A 69 -14.558 -3.807 -3.024 1.00 2.44 C ATOM 1112 C PHE A 69 -13.255 -4.564 -3.290 1.00 2.04 C ATOM 1113 O PHE A 69 -12.862 -5.454 -2.535 1.00 2.83 O ATOM 1114 CB PHE A 69 -14.601 -3.233 -1.600 1.00 3.01 C ATOM 1115 CG PHE A 69 -15.517 -2.051 -1.453 1.00 3.88 C ATOM 1116 CD1 PHE A 69 -15.020 -0.760 -1.513 1.00 4.80 C ATOM 1117 CD2 PHE A 69 -16.876 -2.234 -1.258 1.00 4.14 C ATOM 1118 CE1 PHE A 69 -15.862 0.326 -1.379 1.00 5.84 C ATOM 1119 CE2 PHE A 69 -17.723 -1.152 -1.124 1.00 5.20 C ATOM 1120 CZ PHE A 69 -17.204 0.138 -1.179 1.00 6.01 C ATOM 0 H PHE A 69 -16.192 -4.428 -4.174 1.00 2.52 H new ATOM 0 HA PHE A 69 -14.596 -2.959 -3.707 1.00 2.44 H new ATOM 0 HB2 PHE A 69 -14.919 -4.016 -0.912 1.00 3.01 H new ATOM 0 HB3 PHE A 69 -13.593 -2.940 -1.305 1.00 3.01 H new ATOM 0 HD1 PHE A 69 -13.963 -0.601 -1.666 1.00 4.80 H new ATOM 0 HD2 PHE A 69 -17.278 -3.235 -1.210 1.00 4.14 H new ATOM 0 HE1 PHE A 69 -15.461 1.327 -1.432 1.00 5.84 H new ATOM 0 HE2 PHE A 69 -18.782 -1.306 -0.977 1.00 5.20 H new ATOM 0 HZ PHE A 69 -17.858 0.990 -1.064 1.00 6.01 H new ATOM 1130 N PHE A 70 -12.602 -4.204 -4.393 1.00 1.22 N ATOM 1131 CA PHE A 70 -11.421 -4.896 -4.874 1.00 0.92 C ATOM 1132 C PHE A 70 -10.466 -3.927 -5.580 1.00 0.79 C ATOM 1133 O PHE A 70 -10.884 -2.880 -6.061 1.00 1.19 O ATOM 1134 CB PHE A 70 -11.876 -5.971 -5.845 1.00 1.37 C ATOM 1135 CG PHE A 70 -10.820 -6.955 -6.167 1.00 1.92 C ATOM 1136 CD1 PHE A 70 -10.207 -7.627 -5.148 1.00 2.15 C ATOM 1137 CD2 PHE A 70 -10.445 -7.211 -7.467 1.00 2.74 C ATOM 1138 CE1 PHE A 70 -9.235 -8.541 -5.398 1.00 2.96 C ATOM 1139 CE2 PHE A 70 -9.465 -8.131 -7.740 1.00 3.59 C ATOM 1140 CZ PHE A 70 -8.851 -8.806 -6.701 1.00 3.63 C ATOM 0 H PHE A 70 -12.884 -3.418 -4.978 1.00 1.22 H new ATOM 0 HA PHE A 70 -10.884 -5.335 -4.033 1.00 0.92 H new ATOM 0 HB2 PHE A 70 -12.733 -6.494 -5.421 1.00 1.37 H new ATOM 0 HB3 PHE A 70 -12.215 -5.498 -6.767 1.00 1.37 H new ATOM 0 HD1 PHE A 70 -10.500 -7.428 -4.128 1.00 2.15 H new ATOM 0 HD2 PHE A 70 -10.926 -6.684 -8.277 1.00 2.74 H new ATOM 0 HE1 PHE A 70 -8.761 -9.062 -4.579 1.00 2.96 H new ATOM 0 HE2 PHE A 70 -9.174 -8.327 -8.761 1.00 3.59 H new ATOM 0 HZ PHE A 70 -8.079 -9.533 -6.904 1.00 3.63 H new ATOM 1150 N THR A 71 -9.187 -4.284 -5.611 1.00 0.58 N ATOM 1151 CA THR A 71 -8.166 -3.569 -6.398 1.00 0.49 C ATOM 1152 C THR A 71 -6.784 -4.100 -6.076 1.00 0.40 C ATOM 1153 O THR A 71 -6.625 -4.933 -5.191 1.00 0.49 O ATOM 1154 CB THR A 71 -8.193 -2.025 -6.225 1.00 0.56 C ATOM 1155 OG1 THR A 71 -7.683 -1.401 -7.408 1.00 0.81 O ATOM 1156 CG2 THR A 71 -7.366 -1.543 -5.040 1.00 0.48 C ATOM 0 H THR A 71 -8.818 -5.080 -5.091 1.00 0.58 H new ATOM 0 HA THR A 71 -8.412 -3.762 -7.442 1.00 0.49 H new ATOM 0 HB THR A 71 -9.232 -1.751 -6.044 1.00 0.56 H new ATOM 0 HG1 THR A 71 -8.371 -0.818 -7.793 1.00 0.81 H new ATOM 0 HG21 THR A 71 -7.425 -0.457 -4.973 1.00 0.48 H new ATOM 0 HG22 THR A 71 -7.753 -1.985 -4.122 1.00 0.48 H new ATOM 0 HG23 THR A 71 -6.327 -1.842 -5.176 1.00 0.48 H new ATOM 1164 N GLU A 72 -5.791 -3.633 -6.809 1.00 0.49 N ATOM 1165 CA GLU A 72 -4.438 -4.111 -6.638 1.00 0.45 C ATOM 1166 C GLU A 72 -3.472 -2.941 -6.603 1.00 0.47 C ATOM 1167 O GLU A 72 -3.461 -2.110 -7.516 1.00 0.57 O ATOM 1168 CB GLU A 72 -4.081 -5.055 -7.770 1.00 0.63 C ATOM 1169 CG GLU A 72 -2.893 -5.948 -7.458 1.00 1.19 C ATOM 1170 CD GLU A 72 -2.435 -6.744 -8.655 1.00 1.50 C ATOM 1171 OE1 GLU A 72 -1.326 -6.478 -9.166 1.00 1.83 O ATOM 1172 OE2 GLU A 72 -3.179 -7.638 -9.098 1.00 1.80 O ATOM 0 H GLU A 72 -5.900 -2.920 -7.531 1.00 0.49 H new ATOM 0 HA GLU A 72 -4.366 -4.649 -5.693 1.00 0.45 H new ATOM 0 HB2 GLU A 72 -4.945 -5.679 -7.999 1.00 0.63 H new ATOM 0 HB3 GLU A 72 -3.863 -4.472 -8.665 1.00 0.63 H new ATOM 0 HG2 GLU A 72 -2.067 -5.335 -7.097 1.00 1.19 H new ATOM 0 HG3 GLU A 72 -3.159 -6.632 -6.652 1.00 1.19 H new ATOM 1179 N VAL A 73 -2.672 -2.868 -5.551 1.00 0.44 N ATOM 1180 CA VAL A 73 -1.770 -1.749 -5.370 1.00 0.52 C ATOM 1181 C VAL A 73 -0.398 -2.242 -4.931 1.00 0.64 C ATOM 1182 O VAL A 73 -0.253 -2.818 -3.851 1.00 0.76 O ATOM 1183 CB VAL A 73 -2.294 -0.744 -4.324 1.00 0.52 C ATOM 1184 CG1 VAL A 73 -1.819 0.659 -4.663 1.00 0.66 C ATOM 1185 CG2 VAL A 73 -3.809 -0.796 -4.197 1.00 0.53 C ATOM 0 H VAL A 73 -2.631 -3.570 -4.813 1.00 0.44 H new ATOM 0 HA VAL A 73 -1.700 -1.241 -6.332 1.00 0.52 H new ATOM 0 HB VAL A 73 -1.886 -1.026 -3.353 1.00 0.52 H new ATOM 0 HG11 VAL A 73 -2.195 1.360 -3.918 1.00 0.66 H new ATOM 0 HG12 VAL A 73 -0.729 0.683 -4.667 1.00 0.66 H new ATOM 0 HG13 VAL A 73 -2.192 0.941 -5.648 1.00 0.66 H new ATOM 0 HG21 VAL A 73 -4.137 -0.073 -3.450 1.00 0.53 H new ATOM 0 HG22 VAL A 73 -4.263 -0.556 -5.158 1.00 0.53 H new ATOM 0 HG23 VAL A 73 -4.114 -1.797 -3.891 1.00 0.53 H new ATOM 1195 N GLU A 74 0.604 -2.031 -5.774 1.00 0.80 N ATOM 1196 CA GLU A 74 1.960 -2.449 -5.453 1.00 0.96 C ATOM 1197 C GLU A 74 2.564 -1.589 -4.361 1.00 0.98 C ATOM 1198 O GLU A 74 2.322 -0.384 -4.288 1.00 1.16 O ATOM 1199 CB GLU A 74 2.863 -2.423 -6.678 1.00 1.24 C ATOM 1200 CG GLU A 74 2.328 -1.564 -7.786 1.00 1.49 C ATOM 1201 CD GLU A 74 3.265 -1.495 -8.972 1.00 1.71 C ATOM 1202 OE1 GLU A 74 4.211 -0.680 -8.932 1.00 2.25 O ATOM 1203 OE2 GLU A 74 3.067 -2.248 -9.949 1.00 2.02 O ATOM 0 H GLU A 74 0.503 -1.575 -6.681 1.00 0.80 H new ATOM 0 HA GLU A 74 1.890 -3.476 -5.094 1.00 0.96 H new ATOM 0 HB2 GLU A 74 3.849 -2.059 -6.388 1.00 1.24 H new ATOM 0 HB3 GLU A 74 2.995 -3.440 -7.046 1.00 1.24 H new ATOM 0 HG2 GLU A 74 1.364 -1.955 -8.111 1.00 1.49 H new ATOM 0 HG3 GLU A 74 2.152 -0.557 -7.408 1.00 1.49 H new ATOM 1210 N ALA A 75 3.360 -2.225 -3.524 1.00 1.06 N ATOM 1211 CA ALA A 75 4.035 -1.550 -2.436 1.00 1.12 C ATOM 1212 C ALA A 75 5.541 -1.644 -2.612 1.00 1.43 C ATOM 1213 O ALA A 75 6.255 -0.645 -2.578 1.00 1.80 O ATOM 1214 CB ALA A 75 3.632 -2.186 -1.124 1.00 1.02 C ATOM 0 H ALA A 75 3.556 -3.224 -3.580 1.00 1.06 H new ATOM 0 HA ALA A 75 3.748 -0.498 -2.436 1.00 1.12 H new ATOM 0 HB1 ALA A 75 4.139 -1.679 -0.303 1.00 1.02 H new ATOM 0 HB2 ALA A 75 2.553 -2.099 -0.993 1.00 1.02 H new ATOM 0 HB3 ALA A 75 3.913 -3.239 -1.129 1.00 1.02 H new ATOM 1220 N TYR A 76 6.004 -2.859 -2.816 1.00 1.71 N ATOM 1221 CA TYR A 76 7.420 -3.158 -2.881 1.00 2.10 C ATOM 1222 C TYR A 76 7.652 -4.216 -3.963 1.00 2.93 C ATOM 1223 O TYR A 76 7.438 -5.408 -3.744 1.00 3.37 O ATOM 1224 CB TYR A 76 7.881 -3.641 -1.500 1.00 2.06 C ATOM 1225 CG TYR A 76 9.380 -3.608 -1.290 1.00 2.42 C ATOM 1226 CD1 TYR A 76 10.251 -4.120 -2.248 1.00 3.02 C ATOM 1227 CD2 TYR A 76 9.923 -3.052 -0.145 1.00 2.63 C ATOM 1228 CE1 TYR A 76 11.617 -4.069 -2.063 1.00 3.55 C ATOM 1229 CE2 TYR A 76 11.284 -3.001 0.050 1.00 3.23 C ATOM 1230 CZ TYR A 76 12.130 -3.587 -0.900 1.00 3.62 C ATOM 1231 OH TYR A 76 13.492 -3.449 -0.724 1.00 4.28 O ATOM 0 H TYR A 76 5.404 -3.674 -2.942 1.00 1.71 H new ATOM 0 HA TYR A 76 8.001 -2.274 -3.145 1.00 2.10 H new ATOM 0 HB2 TYR A 76 7.407 -3.024 -0.737 1.00 2.06 H new ATOM 0 HB3 TYR A 76 7.528 -4.661 -1.350 1.00 2.06 H new ATOM 0 HD1 TYR A 76 9.852 -4.563 -3.148 1.00 3.02 H new ATOM 0 HD2 TYR A 76 9.265 -2.650 0.611 1.00 2.63 H new ATOM 0 HE1 TYR A 76 12.280 -4.413 -2.843 1.00 3.55 H new ATOM 0 HE2 TYR A 76 11.694 -2.516 0.923 1.00 3.23 H new ATOM 0 HH TYR A 76 13.733 -3.717 0.187 1.00 4.28 H new ATOM 1241 N ARG A 77 8.075 -3.755 -5.131 1.00 3.45 N ATOM 1242 CA ARG A 77 8.198 -4.599 -6.312 1.00 4.39 C ATOM 1243 C ARG A 77 9.151 -3.901 -7.290 1.00 4.69 C ATOM 1244 O ARG A 77 9.195 -2.670 -7.301 1.00 4.62 O ATOM 1245 CB ARG A 77 6.789 -4.792 -6.912 1.00 5.09 C ATOM 1246 CG ARG A 77 6.611 -6.022 -7.796 1.00 5.52 C ATOM 1247 CD ARG A 77 6.875 -5.712 -9.261 1.00 6.16 C ATOM 1248 NE ARG A 77 5.946 -4.706 -9.772 1.00 6.62 N ATOM 1249 CZ ARG A 77 6.174 -3.958 -10.849 1.00 7.29 C ATOM 1250 NH1 ARG A 77 7.268 -4.146 -11.576 1.00 7.66 N ATOM 1251 NH2 ARG A 77 5.302 -3.027 -11.207 1.00 7.82 N ATOM 0 H ARG A 77 8.343 -2.783 -5.287 1.00 3.45 H new ATOM 0 HA ARG A 77 8.605 -5.583 -6.079 1.00 4.39 H new ATOM 0 HB2 ARG A 77 6.070 -4.847 -6.094 1.00 5.09 H new ATOM 0 HB3 ARG A 77 6.539 -3.907 -7.497 1.00 5.09 H new ATOM 0 HG2 ARG A 77 7.289 -6.809 -7.464 1.00 5.52 H new ATOM 0 HG3 ARG A 77 5.597 -6.406 -7.683 1.00 5.52 H new ATOM 0 HD2 ARG A 77 7.899 -5.357 -9.380 1.00 6.16 H new ATOM 0 HD3 ARG A 77 6.784 -6.625 -9.849 1.00 6.16 H new ATOM 0 HE ARG A 77 5.068 -4.569 -9.272 1.00 6.62 H new ATOM 0 HH11 ARG A 77 7.939 -4.867 -11.310 1.00 7.66 H new ATOM 0 HH12 ARG A 77 7.438 -3.570 -12.400 1.00 7.66 H new ATOM 0 HH21 ARG A 77 4.455 -2.883 -10.657 1.00 7.82 H new ATOM 0 HH22 ARG A 77 5.478 -2.454 -12.033 1.00 7.82 H new ATOM 1265 N PRO A 78 9.964 -4.662 -8.072 1.00 5.32 N ATOM 1266 CA PRO A 78 10.974 -4.106 -9.014 1.00 5.79 C ATOM 1267 C PRO A 78 10.421 -3.219 -10.144 1.00 6.24 C ATOM 1268 O PRO A 78 10.725 -3.418 -11.319 1.00 6.84 O ATOM 1269 CB PRO A 78 11.624 -5.341 -9.620 1.00 6.56 C ATOM 1270 CG PRO A 78 10.674 -6.455 -9.364 1.00 6.72 C ATOM 1271 CD PRO A 78 10.019 -6.134 -8.056 1.00 5.88 C ATOM 0 HA PRO A 78 11.642 -3.440 -8.467 1.00 5.79 H new ATOM 0 HB2 PRO A 78 11.796 -5.210 -10.688 1.00 6.56 H new ATOM 0 HB3 PRO A 78 12.593 -5.539 -9.163 1.00 6.56 H new ATOM 0 HG2 PRO A 78 9.937 -6.533 -10.163 1.00 6.72 H new ATOM 0 HG3 PRO A 78 11.195 -7.411 -9.317 1.00 6.72 H new ATOM 0 HD2 PRO A 78 9.025 -6.575 -7.982 1.00 5.88 H new ATOM 0 HD3 PRO A 78 10.597 -6.508 -7.211 1.00 5.88 H new ATOM 1279 N ASP A 79 9.619 -2.256 -9.764 1.00 6.17 N ATOM 1280 CA ASP A 79 9.152 -1.188 -10.641 1.00 6.76 C ATOM 1281 C ASP A 79 9.965 0.063 -10.333 1.00 6.75 C ATOM 1282 O ASP A 79 10.881 -0.006 -9.521 1.00 6.33 O ATOM 1283 CB ASP A 79 7.669 -0.921 -10.401 1.00 6.97 C ATOM 1284 CG ASP A 79 6.999 -0.172 -11.539 1.00 7.82 C ATOM 1285 OD1 ASP A 79 6.555 -0.826 -12.505 1.00 8.31 O ATOM 1286 OD2 ASP A 79 6.890 1.071 -11.460 1.00 8.19 O ATOM 0 H ASP A 79 9.258 -2.183 -8.813 1.00 6.17 H new ATOM 0 HA ASP A 79 9.280 -1.475 -11.685 1.00 6.76 H new ATOM 0 HB2 ASP A 79 7.156 -1.871 -10.250 1.00 6.97 H new ATOM 0 HB3 ASP A 79 7.555 -0.347 -9.481 1.00 6.97 H new ATOM 1291 N LEU A 80 9.676 1.194 -10.970 1.00 7.42 N ATOM 1292 CA LEU A 80 10.293 2.465 -10.561 1.00 7.70 C ATOM 1293 C LEU A 80 10.012 2.710 -9.072 1.00 7.67 C ATOM 1294 O LEU A 80 10.703 3.460 -8.383 1.00 7.65 O ATOM 1295 CB LEU A 80 9.770 3.614 -11.434 1.00 8.65 C ATOM 1296 CG LEU A 80 10.533 4.952 -11.364 1.00 9.25 C ATOM 1297 CD1 LEU A 80 10.095 5.782 -10.166 1.00 9.43 C ATOM 1298 CD2 LEU A 80 12.036 4.715 -11.321 1.00 9.75 C ATOM 0 H LEU A 80 9.032 1.264 -11.758 1.00 7.42 H new ATOM 0 HA LEU A 80 11.373 2.415 -10.702 1.00 7.70 H new ATOM 0 HB2 LEU A 80 9.770 3.278 -12.471 1.00 8.65 H new ATOM 0 HB3 LEU A 80 8.732 3.802 -11.160 1.00 8.65 H new ATOM 0 HG LEU A 80 10.293 5.513 -12.267 1.00 9.25 H new ATOM 0 HD11 LEU A 80 10.653 6.718 -10.148 1.00 9.43 H new ATOM 0 HD12 LEU A 80 9.029 5.997 -10.242 1.00 9.43 H new ATOM 0 HD13 LEU A 80 10.288 5.227 -9.248 1.00 9.43 H new ATOM 0 HD21 LEU A 80 12.554 5.673 -11.272 1.00 9.75 H new ATOM 0 HD22 LEU A 80 12.286 4.122 -10.441 1.00 9.75 H new ATOM 0 HD23 LEU A 80 12.346 4.181 -12.219 1.00 9.75 H new ATOM 1310 N LYS A 81 9.015 1.993 -8.597 1.00 7.90 N ATOM 1311 CA LYS A 81 8.627 1.939 -7.187 1.00 8.21 C ATOM 1312 C LYS A 81 9.699 1.219 -6.337 1.00 7.50 C ATOM 1313 O LYS A 81 9.466 0.902 -5.175 1.00 7.67 O ATOM 1314 CB LYS A 81 7.271 1.233 -7.061 1.00 9.15 C ATOM 1315 CG LYS A 81 6.633 1.346 -5.683 1.00 9.83 C ATOM 1316 CD LYS A 81 5.306 0.603 -5.601 1.00 10.54 C ATOM 1317 CE LYS A 81 4.138 1.423 -6.141 1.00 11.27 C ATOM 1318 NZ LYS A 81 4.202 1.625 -7.613 1.00 11.75 N ATOM 0 H LYS A 81 8.428 1.410 -9.194 1.00 7.90 H new ATOM 0 HA LYS A 81 8.542 2.957 -6.807 1.00 8.21 H new ATOM 0 HB2 LYS A 81 6.587 1.650 -7.801 1.00 9.15 H new ATOM 0 HB3 LYS A 81 7.399 0.178 -7.304 1.00 9.15 H new ATOM 0 HG2 LYS A 81 7.317 0.948 -4.934 1.00 9.83 H new ATOM 0 HG3 LYS A 81 6.474 2.397 -5.443 1.00 9.83 H new ATOM 0 HD2 LYS A 81 5.381 -0.329 -6.162 1.00 10.54 H new ATOM 0 HD3 LYS A 81 5.108 0.335 -4.563 1.00 10.54 H new ATOM 0 HE2 LYS A 81 3.203 0.923 -5.889 1.00 11.27 H new ATOM 0 HE3 LYS A 81 4.124 2.394 -5.647 1.00 11.27 H new ATOM 0 HZ1 LYS A 81 3.242 1.775 -7.985 1.00 11.75 H new ATOM 0 HZ2 LYS A 81 4.789 2.457 -7.824 1.00 11.75 H new ATOM 0 HZ3 LYS A 81 4.619 0.784 -8.061 1.00 11.75 H new ATOM 1332 N HIS A 82 10.843 0.929 -6.961 1.00 6.91 N ATOM 1333 CA HIS A 82 11.967 0.194 -6.350 1.00 6.47 C ATOM 1334 C HIS A 82 12.243 0.591 -4.889 1.00 5.53 C ATOM 1335 O HIS A 82 11.898 1.692 -4.451 1.00 5.01 O ATOM 1336 CB HIS A 82 13.234 0.451 -7.178 1.00 6.67 C ATOM 1337 CG HIS A 82 13.733 -0.734 -7.955 1.00 7.18 C ATOM 1338 ND1 HIS A 82 13.162 -1.162 -9.134 1.00 7.40 N ATOM 1339 CD2 HIS A 82 14.775 -1.567 -7.725 1.00 7.76 C ATOM 1340 CE1 HIS A 82 13.832 -2.202 -9.593 1.00 8.08 C ATOM 1341 NE2 HIS A 82 14.814 -2.468 -8.757 1.00 8.33 N ATOM 0 H HIS A 82 11.024 1.202 -7.927 1.00 6.91 H new ATOM 0 HA HIS A 82 11.690 -0.860 -6.345 1.00 6.47 H new ATOM 0 HB2 HIS A 82 13.036 1.266 -7.874 1.00 6.67 H new ATOM 0 HB3 HIS A 82 14.026 0.788 -6.509 1.00 6.67 H new ATOM 0 HD1 HIS A 82 12.348 -0.741 -9.582 1.00 7.40 H new ATOM 0 HD2 HIS A 82 15.451 -1.529 -6.884 1.00 7.76 H new ATOM 0 HE1 HIS A 82 13.612 -2.744 -10.501 1.00 8.08 H new ATOM 1350 N PRO A 83 12.891 -0.327 -4.130 1.00 5.57 N ATOM 1351 CA PRO A 83 13.260 -0.139 -2.721 1.00 4.95 C ATOM 1352 C PRO A 83 13.771 1.260 -2.403 1.00 4.13 C ATOM 1353 O PRO A 83 14.590 1.824 -3.128 1.00 4.33 O ATOM 1354 CB PRO A 83 14.388 -1.161 -2.504 1.00 5.64 C ATOM 1355 CG PRO A 83 14.577 -1.858 -3.814 1.00 6.46 C ATOM 1356 CD PRO A 83 13.308 -1.652 -4.581 1.00 6.50 C ATOM 0 HA PRO A 83 12.393 -0.272 -2.075 1.00 4.95 H new ATOM 0 HB2 PRO A 83 15.307 -0.666 -2.190 1.00 5.64 H new ATOM 0 HB3 PRO A 83 14.125 -1.871 -1.720 1.00 5.64 H new ATOM 0 HG2 PRO A 83 15.430 -1.447 -4.354 1.00 6.46 H new ATOM 0 HG3 PRO A 83 14.775 -2.920 -3.666 1.00 6.46 H new ATOM 0 HD2 PRO A 83 13.473 -1.683 -5.658 1.00 6.50 H new ATOM 0 HD3 PRO A 83 12.564 -2.414 -4.350 1.00 6.50 H new ATOM 1364 N LEU A 84 13.271 1.809 -1.311 1.00 3.60 N ATOM 1365 CA LEU A 84 13.674 3.125 -0.856 1.00 3.05 C ATOM 1366 C LEU A 84 14.560 2.982 0.353 1.00 2.76 C ATOM 1367 O LEU A 84 14.619 1.913 0.952 1.00 3.30 O ATOM 1368 CB LEU A 84 12.454 3.945 -0.461 1.00 3.01 C ATOM 1369 CG LEU A 84 12.460 5.394 -0.957 1.00 4.01 C ATOM 1370 CD1 LEU A 84 12.514 5.438 -2.476 1.00 4.57 C ATOM 1371 CD2 LEU A 84 11.240 6.148 -0.452 1.00 4.67 C ATOM 0 H LEU A 84 12.576 1.356 -0.717 1.00 3.60 H new ATOM 0 HA LEU A 84 14.205 3.627 -1.665 1.00 3.05 H new ATOM 0 HB2 LEU A 84 11.562 3.449 -0.844 1.00 3.01 H new ATOM 0 HB3 LEU A 84 12.374 3.949 0.626 1.00 3.01 H new ATOM 0 HG LEU A 84 13.351 5.881 -0.561 1.00 4.01 H new ATOM 0 HD11 LEU A 84 12.518 6.476 -2.810 1.00 4.57 H new ATOM 0 HD12 LEU A 84 13.421 4.942 -2.822 1.00 4.57 H new ATOM 0 HD13 LEU A 84 11.642 4.928 -2.886 1.00 4.57 H new ATOM 0 HD21 LEU A 84 11.269 7.174 -0.819 1.00 4.67 H new ATOM 0 HD22 LEU A 84 10.335 5.659 -0.813 1.00 4.67 H new ATOM 0 HD23 LEU A 84 11.240 6.152 0.638 1.00 4.67 H new ATOM 1383 N CYS A 85 15.239 4.051 0.723 1.00 2.66 N ATOM 1384 CA CYS A 85 15.985 4.049 1.962 1.00 3.24 C ATOM 1385 C CYS A 85 15.338 4.956 2.988 1.00 3.77 C ATOM 1386 O CYS A 85 15.886 5.171 4.063 1.00 4.31 O ATOM 1387 CB CYS A 85 17.444 4.457 1.763 1.00 3.79 C ATOM 1388 SG CYS A 85 18.522 3.258 0.889 1.00 4.64 S ATOM 0 H CYS A 85 15.288 4.920 0.190 1.00 2.66 H new ATOM 0 HA CYS A 85 15.971 3.023 2.328 1.00 3.24 H new ATOM 0 HB2 CYS A 85 17.462 5.397 1.211 1.00 3.79 H new ATOM 0 HB3 CYS A 85 17.879 4.654 2.743 1.00 3.79 H new ATOM 1393 N GLY A 86 14.201 5.524 2.634 1.00 4.00 N ATOM 1394 CA GLY A 86 13.450 6.312 3.595 1.00 4.75 C ATOM 1395 C GLY A 86 12.199 5.614 4.109 1.00 4.42 C ATOM 1396 O GLY A 86 12.083 5.366 5.309 1.00 5.13 O ATOM 0 H GLY A 86 13.782 5.458 1.706 1.00 4.00 H new ATOM 0 HA2 GLY A 86 14.096 6.551 4.440 1.00 4.75 H new ATOM 0 HA3 GLY A 86 13.165 7.258 3.134 1.00 4.75 H new ATOM 1400 N LYS A 87 11.259 5.295 3.208 1.00 3.51 N ATOM 1401 CA LYS A 87 10.089 4.485 3.565 1.00 3.25 C ATOM 1402 C LYS A 87 9.288 4.021 2.352 1.00 2.57 C ATOM 1403 O LYS A 87 9.754 4.051 1.215 1.00 2.57 O ATOM 1404 CB LYS A 87 9.154 5.187 4.530 1.00 3.54 C ATOM 1405 CG LYS A 87 8.570 6.492 4.004 1.00 4.49 C ATOM 1406 CD LYS A 87 7.670 7.158 5.034 1.00 5.19 C ATOM 1407 CE LYS A 87 6.459 6.299 5.369 1.00 6.18 C ATOM 1408 NZ LYS A 87 5.626 6.913 6.433 1.00 6.95 N ATOM 0 H LYS A 87 11.287 5.585 2.230 1.00 3.51 H new ATOM 0 HA LYS A 87 10.512 3.610 4.059 1.00 3.25 H new ATOM 0 HB2 LYS A 87 8.336 4.512 4.780 1.00 3.54 H new ATOM 0 HB3 LYS A 87 9.693 5.391 5.455 1.00 3.54 H new ATOM 0 HG2 LYS A 87 9.379 7.171 3.734 1.00 4.49 H new ATOM 0 HG3 LYS A 87 8.001 6.296 3.095 1.00 4.49 H new ATOM 0 HD2 LYS A 87 8.240 7.352 5.943 1.00 5.19 H new ATOM 0 HD3 LYS A 87 7.336 8.124 4.654 1.00 5.19 H new ATOM 0 HE2 LYS A 87 5.856 6.155 4.472 1.00 6.18 H new ATOM 0 HE3 LYS A 87 6.791 5.312 5.691 1.00 6.18 H new ATOM 0 HZ1 LYS A 87 4.811 6.299 6.634 1.00 6.95 H new ATOM 0 HZ2 LYS A 87 6.194 7.027 7.296 1.00 6.95 H new ATOM 0 HZ3 LYS A 87 5.288 7.844 6.116 1.00 6.95 H new ATOM 1422 N ARG A 88 8.071 3.556 2.633 1.00 2.48 N ATOM 1423 CA ARG A 88 7.127 3.134 1.619 1.00 2.17 C ATOM 1424 C ARG A 88 5.941 4.095 1.589 1.00 1.70 C ATOM 1425 O ARG A 88 5.717 4.842 2.539 1.00 2.18 O ATOM 1426 CB ARG A 88 6.645 1.707 1.838 1.00 3.14 C ATOM 1427 CG ARG A 88 6.326 0.968 0.550 1.00 3.80 C ATOM 1428 CD ARG A 88 7.580 0.447 -0.140 1.00 4.78 C ATOM 1429 NE ARG A 88 8.475 1.515 -0.598 1.00 5.43 N ATOM 1430 CZ ARG A 88 8.995 1.566 -1.824 1.00 6.34 C ATOM 1431 NH1 ARG A 88 8.653 0.661 -2.726 1.00 6.69 N ATOM 1432 NH2 ARG A 88 9.832 2.541 -2.156 1.00 7.15 N ATOM 0 H ARG A 88 7.716 3.464 3.585 1.00 2.48 H new ATOM 0 HA ARG A 88 7.642 3.153 0.658 1.00 2.17 H new ATOM 0 HB2 ARG A 88 7.409 1.154 2.384 1.00 3.14 H new ATOM 0 HB3 ARG A 88 5.755 1.726 2.466 1.00 3.14 H new ATOM 0 HG2 ARG A 88 5.660 0.133 0.768 1.00 3.80 H new ATOM 0 HG3 ARG A 88 5.791 1.635 -0.127 1.00 3.80 H new ATOM 0 HD2 ARG A 88 8.122 -0.202 0.548 1.00 4.78 H new ATOM 0 HD3 ARG A 88 7.289 -0.165 -0.994 1.00 4.78 H new ATOM 0 HE ARG A 88 8.712 2.259 0.058 1.00 5.43 H new ATOM 0 HH11 ARG A 88 7.991 -0.076 -2.483 1.00 6.69 H new ATOM 0 HH12 ARG A 88 9.051 0.700 -3.664 1.00 6.69 H new ATOM 0 HH21 ARG A 88 10.080 3.255 -1.472 1.00 7.15 H new ATOM 0 HH22 ARG A 88 10.227 2.576 -3.096 1.00 7.15 H new ATOM 1446 N TYR A 89 5.213 4.094 0.487 1.00 1.34 N ATOM 1447 CA TYR A 89 4.235 5.131 0.206 1.00 1.31 C ATOM 1448 C TYR A 89 2.843 4.681 0.633 1.00 1.05 C ATOM 1449 O TYR A 89 2.586 3.484 0.772 1.00 1.43 O ATOM 1450 CB TYR A 89 4.236 5.434 -1.292 1.00 2.13 C ATOM 1451 CG TYR A 89 5.621 5.559 -1.887 1.00 2.67 C ATOM 1452 CD1 TYR A 89 6.093 4.614 -2.788 1.00 3.40 C ATOM 1453 CD2 TYR A 89 6.455 6.617 -1.548 1.00 2.94 C ATOM 1454 CE1 TYR A 89 7.355 4.721 -3.337 1.00 4.21 C ATOM 1455 CE2 TYR A 89 7.719 6.730 -2.093 1.00 3.68 C ATOM 1456 CZ TYR A 89 8.163 5.779 -2.988 1.00 4.27 C ATOM 1457 OH TYR A 89 9.419 5.886 -3.532 1.00 5.18 O ATOM 0 H TYR A 89 5.282 3.378 -0.236 1.00 1.34 H new ATOM 0 HA TYR A 89 4.500 6.028 0.766 1.00 1.31 H new ATOM 0 HB2 TYR A 89 3.696 4.644 -1.814 1.00 2.13 H new ATOM 0 HB3 TYR A 89 3.690 6.361 -1.466 1.00 2.13 H new ATOM 0 HD1 TYR A 89 5.463 3.782 -3.064 1.00 3.40 H new ATOM 0 HD2 TYR A 89 6.110 7.363 -0.847 1.00 2.94 H new ATOM 0 HE1 TYR A 89 7.707 3.978 -4.037 1.00 4.21 H new ATOM 0 HE2 TYR A 89 8.356 7.558 -1.820 1.00 3.68 H new ATOM 0 HH TYR A 89 9.859 6.689 -3.183 1.00 5.18 H new ATOM 1467 N GLU A 90 1.958 5.646 0.850 1.00 0.79 N ATOM 1468 CA GLU A 90 0.607 5.360 1.320 1.00 0.71 C ATOM 1469 C GLU A 90 -0.355 5.152 0.175 1.00 0.53 C ATOM 1470 O GLU A 90 -0.472 5.984 -0.728 1.00 0.63 O ATOM 1471 CB GLU A 90 0.091 6.488 2.222 1.00 1.07 C ATOM 1472 CG GLU A 90 -1.428 6.539 2.341 1.00 1.28 C ATOM 1473 CD GLU A 90 -1.923 7.810 2.999 1.00 1.79 C ATOM 1474 OE1 GLU A 90 -2.561 8.636 2.309 1.00 2.09 O ATOM 1475 OE2 GLU A 90 -1.670 7.993 4.211 1.00 2.07 O ATOM 0 H GLU A 90 2.152 6.637 0.708 1.00 0.79 H new ATOM 0 HA GLU A 90 0.662 4.435 1.894 1.00 0.71 H new ATOM 0 HB2 GLU A 90 0.520 6.369 3.217 1.00 1.07 H new ATOM 0 HB3 GLU A 90 0.447 7.442 1.834 1.00 1.07 H new ATOM 0 HG2 GLU A 90 -1.869 6.454 1.348 1.00 1.28 H new ATOM 0 HG3 GLU A 90 -1.772 5.680 2.917 1.00 1.28 H new ATOM 1482 N LEU A 91 -1.044 4.034 0.232 1.00 0.50 N ATOM 1483 CA LEU A 91 -2.113 3.747 -0.690 1.00 0.43 C ATOM 1484 C LEU A 91 -3.412 3.762 0.083 1.00 0.43 C ATOM 1485 O LEU A 91 -3.584 3.001 1.037 1.00 0.57 O ATOM 1486 CB LEU A 91 -1.924 2.385 -1.358 1.00 0.50 C ATOM 1487 CG LEU A 91 -0.567 1.702 -1.092 1.00 0.93 C ATOM 1488 CD1 LEU A 91 -0.593 0.247 -1.525 1.00 1.82 C ATOM 1489 CD2 LEU A 91 0.555 2.424 -1.826 1.00 1.02 C ATOM 0 H LEU A 91 -0.877 3.300 0.920 1.00 0.50 H new ATOM 0 HA LEU A 91 -2.120 4.500 -1.479 1.00 0.43 H new ATOM 0 HB2 LEU A 91 -2.719 1.720 -1.020 1.00 0.50 H new ATOM 0 HB3 LEU A 91 -2.046 2.507 -2.434 1.00 0.50 H new ATOM 0 HG LEU A 91 -0.384 1.749 -0.019 1.00 0.93 H new ATOM 0 HD11 LEU A 91 0.377 -0.209 -1.326 1.00 1.82 H new ATOM 0 HD12 LEU A 91 -1.365 -0.284 -0.969 1.00 1.82 H new ATOM 0 HD13 LEU A 91 -0.809 0.189 -2.592 1.00 1.82 H new ATOM 0 HD21 LEU A 91 1.503 1.925 -1.624 1.00 1.02 H new ATOM 0 HD22 LEU A 91 0.358 2.408 -2.898 1.00 1.02 H new ATOM 0 HD23 LEU A 91 0.609 3.457 -1.483 1.00 1.02 H new ATOM 1501 N SER A 92 -4.313 4.638 -0.294 1.00 0.43 N ATOM 1502 CA SER A 92 -5.530 4.803 0.460 1.00 0.48 C ATOM 1503 C SER A 92 -6.743 4.544 -0.388 1.00 0.43 C ATOM 1504 O SER A 92 -6.880 5.065 -1.489 1.00 0.51 O ATOM 1505 CB SER A 92 -5.589 6.209 1.059 1.00 0.59 C ATOM 1506 OG SER A 92 -5.479 7.203 0.062 1.00 1.23 O ATOM 0 H SER A 92 -4.227 5.242 -1.111 1.00 0.43 H new ATOM 0 HA SER A 92 -5.528 4.070 1.267 1.00 0.48 H new ATOM 0 HB2 SER A 92 -6.527 6.336 1.599 1.00 0.59 H new ATOM 0 HB3 SER A 92 -4.785 6.330 1.785 1.00 0.59 H new ATOM 0 HG SER A 92 -6.201 7.857 0.171 1.00 1.23 H new ATOM 1512 N ALA A 93 -7.622 3.724 0.132 1.00 0.52 N ATOM 1513 CA ALA A 93 -8.870 3.459 -0.522 1.00 0.54 C ATOM 1514 C ALA A 93 -9.851 4.522 -0.145 1.00 0.62 C ATOM 1515 O ALA A 93 -10.437 4.502 0.922 1.00 0.83 O ATOM 1516 CB ALA A 93 -9.362 2.094 -0.166 1.00 0.66 C ATOM 0 H ALA A 93 -7.491 3.227 1.013 1.00 0.52 H new ATOM 0 HA ALA A 93 -8.738 3.479 -1.604 1.00 0.54 H new ATOM 0 HB1 ALA A 93 -10.310 1.906 -0.670 1.00 0.66 H new ATOM 0 HB2 ALA A 93 -8.630 1.350 -0.481 1.00 0.66 H new ATOM 0 HB3 ALA A 93 -9.505 2.029 0.913 1.00 0.66 H new ATOM 1522 N ARG A 94 -10.002 5.449 -1.036 1.00 0.91 N ATOM 1523 CA ARG A 94 -10.659 6.708 -0.726 1.00 1.26 C ATOM 1524 C ARG A 94 -11.879 6.919 -1.535 1.00 0.70 C ATOM 1525 O ARG A 94 -12.050 6.375 -2.620 1.00 1.17 O ATOM 1526 CB ARG A 94 -9.690 7.867 -0.977 1.00 2.35 C ATOM 1527 CG ARG A 94 -10.038 9.157 -0.254 1.00 3.37 C ATOM 1528 CD ARG A 94 -8.846 10.097 -0.185 1.00 4.38 C ATOM 1529 NE ARG A 94 -9.207 11.397 0.376 1.00 5.11 N ATOM 1530 CZ ARG A 94 -8.467 12.070 1.259 1.00 6.01 C ATOM 1531 NH1 ARG A 94 -7.333 11.555 1.727 1.00 6.36 N ATOM 1532 NH2 ARG A 94 -8.867 13.264 1.676 1.00 6.80 N ATOM 0 H ARG A 94 -9.679 5.369 -2.000 1.00 0.91 H new ATOM 0 HA ARG A 94 -10.954 6.670 0.323 1.00 1.26 H new ATOM 0 HB2 ARG A 94 -8.689 7.557 -0.676 1.00 2.35 H new ATOM 0 HB3 ARG A 94 -9.653 8.066 -2.048 1.00 2.35 H new ATOM 0 HG2 ARG A 94 -10.863 9.651 -0.767 1.00 3.37 H new ATOM 0 HG3 ARG A 94 -10.381 8.928 0.755 1.00 3.37 H new ATOM 0 HD2 ARG A 94 -8.062 9.645 0.423 1.00 4.38 H new ATOM 0 HD3 ARG A 94 -8.435 10.235 -1.185 1.00 4.38 H new ATOM 0 HE ARG A 94 -10.085 11.819 0.072 1.00 5.11 H new ATOM 0 HH11 ARG A 94 -7.021 10.637 1.411 1.00 6.36 H new ATOM 0 HH12 ARG A 94 -6.775 12.079 2.402 1.00 6.36 H new ATOM 0 HH21 ARG A 94 -9.736 13.663 1.322 1.00 6.80 H new ATOM 0 HH22 ARG A 94 -8.305 13.783 2.351 1.00 6.80 H new ATOM 1546 N MET A 95 -12.737 7.664 -0.878 1.00 0.84 N ATOM 1547 CA MET A 95 -13.963 8.211 -1.397 1.00 1.41 C ATOM 1548 C MET A 95 -14.022 8.201 -2.928 1.00 1.48 C ATOM 1549 O MET A 95 -14.988 7.706 -3.514 1.00 2.12 O ATOM 1550 CB MET A 95 -14.096 9.654 -0.895 1.00 2.09 C ATOM 1551 CG MET A 95 -13.476 9.890 0.483 1.00 2.32 C ATOM 1552 SD MET A 95 -13.453 11.630 0.954 1.00 3.26 S ATOM 1553 CE MET A 95 -12.678 11.534 2.566 1.00 3.27 C ATOM 0 H MET A 95 -12.584 7.919 0.098 1.00 0.84 H new ATOM 0 HA MET A 95 -14.783 7.585 -1.046 1.00 1.41 H new ATOM 0 HB2 MET A 95 -13.624 10.324 -1.614 1.00 2.09 H new ATOM 0 HB3 MET A 95 -15.153 9.919 -0.858 1.00 2.09 H new ATOM 0 HG2 MET A 95 -14.035 9.324 1.229 1.00 2.32 H new ATOM 0 HG3 MET A 95 -12.457 9.504 0.488 1.00 2.32 H new ATOM 0 HE1 MET A 95 -12.593 12.535 2.989 1.00 3.27 H new ATOM 0 HE2 MET A 95 -13.284 10.912 3.225 1.00 3.27 H new ATOM 0 HE3 MET A 95 -11.685 11.096 2.467 1.00 3.27 H new ATOM 1563 N ASP A 96 -12.981 8.749 -3.564 1.00 1.26 N ATOM 1564 CA ASP A 96 -12.936 8.847 -5.022 1.00 1.45 C ATOM 1565 C ASP A 96 -12.163 7.685 -5.653 1.00 1.30 C ATOM 1566 O ASP A 96 -12.625 7.096 -6.632 1.00 1.97 O ATOM 1567 CB ASP A 96 -12.314 10.179 -5.448 1.00 1.76 C ATOM 1568 CG ASP A 96 -12.410 10.414 -6.944 1.00 2.34 C ATOM 1569 OD1 ASP A 96 -13.501 10.782 -7.432 1.00 2.78 O ATOM 1570 OD2 ASP A 96 -11.396 10.216 -7.646 1.00 2.86 O ATOM 0 H ASP A 96 -12.161 9.130 -3.091 1.00 1.26 H new ATOM 0 HA ASP A 96 -13.964 8.795 -5.380 1.00 1.45 H new ATOM 0 HB2 ASP A 96 -12.813 10.994 -4.923 1.00 1.76 H new ATOM 0 HB3 ASP A 96 -11.267 10.200 -5.147 1.00 1.76 H new ATOM 1575 N ALA A 97 -10.996 7.340 -5.099 1.00 0.84 N ATOM 1576 CA ALA A 97 -10.156 6.293 -5.685 1.00 0.62 C ATOM 1577 C ALA A 97 -9.133 5.808 -4.686 1.00 0.60 C ATOM 1578 O ALA A 97 -9.126 6.218 -3.531 1.00 0.92 O ATOM 1579 CB ALA A 97 -9.422 6.800 -6.926 1.00 0.55 C ATOM 0 H ALA A 97 -10.615 7.766 -4.254 1.00 0.84 H new ATOM 0 HA ALA A 97 -10.816 5.473 -5.967 1.00 0.62 H new ATOM 0 HB1 ALA A 97 -8.807 6.000 -7.337 1.00 0.55 H new ATOM 0 HB2 ALA A 97 -10.148 7.120 -7.673 1.00 0.55 H new ATOM 0 HB3 ALA A 97 -8.786 7.643 -6.654 1.00 0.55 H new ATOM 1585 N ILE A 98 -8.272 4.931 -5.155 1.00 0.39 N ATOM 1586 CA ILE A 98 -7.125 4.502 -4.400 1.00 0.34 C ATOM 1587 C ILE A 98 -6.007 5.503 -4.612 1.00 0.32 C ATOM 1588 O ILE A 98 -5.433 5.616 -5.700 1.00 0.35 O ATOM 1589 CB ILE A 98 -6.685 3.082 -4.805 1.00 0.37 C ATOM 1590 CG1 ILE A 98 -7.770 2.094 -4.364 1.00 0.46 C ATOM 1591 CG2 ILE A 98 -5.321 2.737 -4.166 1.00 0.38 C ATOM 1592 CD1 ILE A 98 -7.601 1.633 -2.956 1.00 0.50 C ATOM 0 H ILE A 98 -8.352 4.497 -6.074 1.00 0.39 H new ATOM 0 HA ILE A 98 -7.383 4.460 -3.342 1.00 0.34 H new ATOM 0 HB ILE A 98 -6.561 3.022 -5.886 1.00 0.37 H new ATOM 0 HG12 ILE A 98 -8.747 2.564 -4.472 1.00 0.46 H new ATOM 0 HG13 ILE A 98 -7.758 1.229 -5.028 1.00 0.46 H new ATOM 0 HG21 ILE A 98 -5.025 1.731 -4.462 1.00 0.38 H new ATOM 0 HG22 ILE A 98 -4.570 3.451 -4.504 1.00 0.38 H new ATOM 0 HG23 ILE A 98 -5.405 2.786 -3.080 1.00 0.38 H new ATOM 0 HD11 ILE A 98 -8.400 0.936 -2.703 1.00 0.50 H new ATOM 0 HD12 ILE A 98 -6.637 1.135 -2.849 1.00 0.50 H new ATOM 0 HD13 ILE A 98 -7.642 2.491 -2.285 1.00 0.50 H new ATOM 1604 N TYR A 99 -5.742 6.249 -3.569 1.00 0.40 N ATOM 1605 CA TYR A 99 -4.797 7.351 -3.624 1.00 0.53 C ATOM 1606 C TYR A 99 -3.393 6.846 -3.381 1.00 0.63 C ATOM 1607 O TYR A 99 -3.183 5.945 -2.570 1.00 0.86 O ATOM 1608 CB TYR A 99 -5.153 8.421 -2.588 1.00 0.79 C ATOM 1609 CG TYR A 99 -6.228 9.396 -3.019 1.00 1.11 C ATOM 1610 CD1 TYR A 99 -7.439 8.956 -3.538 1.00 1.77 C ATOM 1611 CD2 TYR A 99 -6.030 10.765 -2.885 1.00 1.50 C ATOM 1612 CE1 TYR A 99 -8.421 9.853 -3.914 1.00 2.60 C ATOM 1613 CE2 TYR A 99 -7.006 11.666 -3.260 1.00 2.26 C ATOM 1614 CZ TYR A 99 -8.199 11.207 -3.772 1.00 2.77 C ATOM 1615 OH TYR A 99 -9.171 12.106 -4.143 1.00 3.67 O ATOM 0 H TYR A 99 -6.172 6.114 -2.654 1.00 0.40 H new ATOM 0 HA TYR A 99 -4.849 7.798 -4.617 1.00 0.53 H new ATOM 0 HB2 TYR A 99 -5.478 7.926 -1.673 1.00 0.79 H new ATOM 0 HB3 TYR A 99 -4.251 8.982 -2.343 1.00 0.79 H new ATOM 0 HD1 TYR A 99 -7.616 7.896 -3.649 1.00 1.77 H new ATOM 0 HD2 TYR A 99 -5.097 11.130 -2.481 1.00 1.50 H new ATOM 0 HE1 TYR A 99 -9.357 9.496 -4.317 1.00 2.60 H new ATOM 0 HE2 TYR A 99 -6.835 12.727 -3.152 1.00 2.26 H new ATOM 0 HH TYR A 99 -8.854 13.018 -3.976 1.00 3.67 H new ATOM 1625 N PHE A 100 -2.439 7.416 -4.090 1.00 0.72 N ATOM 1626 CA PHE A 100 -1.053 7.036 -3.927 1.00 0.91 C ATOM 1627 C PHE A 100 -0.248 8.234 -3.437 1.00 1.25 C ATOM 1628 O PHE A 100 0.011 9.175 -4.196 1.00 1.90 O ATOM 1629 CB PHE A 100 -0.491 6.513 -5.248 1.00 1.20 C ATOM 1630 CG PHE A 100 0.893 5.939 -5.140 1.00 1.73 C ATOM 1631 CD1 PHE A 100 1.994 6.658 -5.571 1.00 2.22 C ATOM 1632 CD2 PHE A 100 1.088 4.674 -4.612 1.00 2.19 C ATOM 1633 CE1 PHE A 100 3.264 6.126 -5.477 1.00 2.83 C ATOM 1634 CE2 PHE A 100 2.358 4.137 -4.515 1.00 2.91 C ATOM 1635 CZ PHE A 100 3.446 4.865 -4.949 1.00 3.12 C ATOM 0 H PHE A 100 -2.600 8.145 -4.785 1.00 0.72 H new ATOM 0 HA PHE A 100 -0.983 6.239 -3.187 1.00 0.91 H new ATOM 0 HB2 PHE A 100 -1.161 5.747 -5.638 1.00 1.20 H new ATOM 0 HB3 PHE A 100 -0.480 7.326 -5.974 1.00 1.20 H new ATOM 0 HD1 PHE A 100 1.858 7.646 -5.985 1.00 2.22 H new ATOM 0 HD2 PHE A 100 0.238 4.100 -4.272 1.00 2.19 H new ATOM 0 HE1 PHE A 100 4.115 6.697 -5.817 1.00 2.83 H new ATOM 0 HE2 PHE A 100 2.498 3.150 -4.100 1.00 2.91 H new ATOM 0 HZ PHE A 100 4.440 4.448 -4.875 1.00 3.12 H new ATOM 1645 N LYS A 101 0.137 8.199 -2.173 1.00 1.07 N ATOM 1646 CA LYS A 101 0.856 9.301 -1.562 1.00 1.43 C ATOM 1647 C LYS A 101 2.346 9.024 -1.520 1.00 1.37 C ATOM 1648 O LYS A 101 2.806 8.068 -0.900 1.00 1.55 O ATOM 1649 CB LYS A 101 0.325 9.581 -0.155 1.00 2.06 C ATOM 1650 CG LYS A 101 1.260 10.415 0.719 1.00 2.92 C ATOM 1651 CD LYS A 101 1.439 11.828 0.183 1.00 3.76 C ATOM 1652 CE LYS A 101 2.455 12.613 0.998 1.00 4.58 C ATOM 1653 NZ LYS A 101 2.037 12.770 2.417 1.00 5.15 N ATOM 0 H LYS A 101 -0.038 7.413 -1.547 1.00 1.07 H new ATOM 0 HA LYS A 101 0.693 10.187 -2.176 1.00 1.43 H new ATOM 0 HB2 LYS A 101 -0.632 10.097 -0.237 1.00 2.06 H new ATOM 0 HB3 LYS A 101 0.133 8.631 0.343 1.00 2.06 H new ATOM 0 HG2 LYS A 101 0.863 10.460 1.733 1.00 2.92 H new ATOM 0 HG3 LYS A 101 2.232 9.925 0.779 1.00 2.92 H new ATOM 0 HD2 LYS A 101 1.762 11.785 -0.857 1.00 3.76 H new ATOM 0 HD3 LYS A 101 0.481 12.347 0.198 1.00 3.76 H new ATOM 0 HE2 LYS A 101 3.419 12.106 0.959 1.00 4.58 H new ATOM 0 HE3 LYS A 101 2.594 13.597 0.551 1.00 4.58 H new ATOM 0 HZ1 LYS A 101 2.687 13.422 2.900 1.00 5.15 H new ATOM 0 HZ2 LYS A 101 1.071 13.153 2.454 1.00 5.15 H new ATOM 0 HZ3 LYS A 101 2.060 11.844 2.890 1.00 5.15 H new ATOM 1667 N MET A 102 3.079 9.889 -2.184 1.00 1.76 N ATOM 1668 CA MET A 102 4.526 9.835 -2.224 1.00 2.21 C ATOM 1669 C MET A 102 5.034 11.259 -2.295 1.00 2.42 C ATOM 1670 O MET A 102 4.255 12.168 -2.566 1.00 2.62 O ATOM 1671 CB MET A 102 5.013 9.035 -3.439 1.00 2.82 C ATOM 1672 CG MET A 102 4.700 9.694 -4.772 1.00 3.61 C ATOM 1673 SD MET A 102 5.238 8.712 -6.187 1.00 4.57 S ATOM 1674 CE MET A 102 7.010 8.656 -5.917 1.00 5.14 C ATOM 0 H MET A 102 2.683 10.661 -2.720 1.00 1.76 H new ATOM 0 HA MET A 102 4.906 9.334 -1.334 1.00 2.21 H new ATOM 0 HB2 MET A 102 6.091 8.891 -3.359 1.00 2.82 H new ATOM 0 HB3 MET A 102 4.557 8.045 -3.417 1.00 2.82 H new ATOM 0 HG2 MET A 102 3.626 9.866 -4.843 1.00 3.61 H new ATOM 0 HG3 MET A 102 5.182 10.671 -4.810 1.00 3.61 H new ATOM 0 HE1 MET A 102 7.512 8.391 -6.848 1.00 5.14 H new ATOM 0 HE2 MET A 102 7.358 9.633 -5.582 1.00 5.14 H new ATOM 0 HE3 MET A 102 7.239 7.909 -5.157 1.00 5.14 H new ATOM 1684 N ASP A 103 6.308 11.470 -2.028 1.00 2.92 N ATOM 1685 CA ASP A 103 6.867 12.810 -2.117 1.00 3.46 C ATOM 1686 C ASP A 103 7.130 13.160 -3.569 1.00 3.62 C ATOM 1687 O ASP A 103 6.799 12.380 -4.463 1.00 3.77 O ATOM 1688 CB ASP A 103 8.154 12.915 -1.332 1.00 4.39 C ATOM 1689 CG ASP A 103 8.416 14.321 -0.825 1.00 5.03 C ATOM 1690 OD1 ASP A 103 9.060 15.108 -1.550 1.00 5.64 O ATOM 1691 OD2 ASP A 103 7.981 14.645 0.302 1.00 5.25 O ATOM 0 H ASP A 103 6.969 10.745 -1.751 1.00 2.92 H new ATOM 0 HA ASP A 103 6.146 13.509 -1.693 1.00 3.46 H new ATOM 0 HB2 ASP A 103 8.116 12.229 -0.486 1.00 4.39 H new ATOM 0 HB3 ASP A 103 8.986 12.599 -1.961 1.00 4.39 H new ATOM 1696 N GLU A 104 7.716 14.337 -3.797 1.00 4.02 N ATOM 1697 CA GLU A 104 7.972 14.851 -5.136 1.00 4.43 C ATOM 1698 C GLU A 104 6.659 15.208 -5.838 1.00 4.28 C ATOM 1699 O GLU A 104 6.648 15.914 -6.847 1.00 4.73 O ATOM 1700 CB GLU A 104 8.771 13.841 -5.953 1.00 4.95 C ATOM 1701 CG GLU A 104 9.264 14.374 -7.284 1.00 5.34 C ATOM 1702 CD GLU A 104 10.265 15.501 -7.126 1.00 6.03 C ATOM 1703 OE1 GLU A 104 11.423 15.223 -6.752 1.00 6.26 O ATOM 1704 OE2 GLU A 104 9.901 16.666 -7.385 1.00 6.61 O ATOM 0 H GLU A 104 8.026 14.960 -3.052 1.00 4.02 H new ATOM 0 HA GLU A 104 8.565 15.761 -5.049 1.00 4.43 H new ATOM 0 HB2 GLU A 104 9.628 13.511 -5.366 1.00 4.95 H new ATOM 0 HB3 GLU A 104 8.151 12.963 -6.133 1.00 4.95 H new ATOM 0 HG2 GLU A 104 9.723 13.562 -7.849 1.00 5.34 H new ATOM 0 HG3 GLU A 104 8.414 14.727 -7.867 1.00 5.34 H new ATOM 1711 N ARG A 105 5.552 14.731 -5.289 1.00 3.93 N ATOM 1712 CA ARG A 105 4.239 15.006 -5.861 1.00 3.96 C ATOM 1713 C ARG A 105 3.171 15.010 -4.768 1.00 3.41 C ATOM 1714 O ARG A 105 3.376 14.444 -3.698 1.00 3.35 O ATOM 1715 CB ARG A 105 3.895 13.956 -6.926 1.00 4.49 C ATOM 1716 CG ARG A 105 3.345 12.660 -6.356 1.00 4.98 C ATOM 1717 CD ARG A 105 2.896 11.714 -7.455 1.00 5.81 C ATOM 1718 NE ARG A 105 1.953 10.717 -6.954 1.00 6.29 N ATOM 1719 CZ ARG A 105 1.046 10.103 -7.712 1.00 7.10 C ATOM 1720 NH1 ARG A 105 1.032 10.296 -9.025 1.00 7.50 N ATOM 1721 NH2 ARG A 105 0.164 9.279 -7.161 1.00 7.74 N ATOM 0 H ARG A 105 5.535 14.152 -4.449 1.00 3.93 H new ATOM 0 HA ARG A 105 4.265 15.990 -6.329 1.00 3.96 H new ATOM 0 HB2 ARG A 105 3.164 14.378 -7.615 1.00 4.49 H new ATOM 0 HB3 ARG A 105 4.790 13.735 -7.507 1.00 4.49 H new ATOM 0 HG2 ARG A 105 4.109 12.176 -5.748 1.00 4.98 H new ATOM 0 HG3 ARG A 105 2.505 12.879 -5.697 1.00 4.98 H new ATOM 0 HD2 ARG A 105 2.431 12.284 -8.259 1.00 5.81 H new ATOM 0 HD3 ARG A 105 3.765 11.212 -7.881 1.00 5.81 H new ATOM 0 HE ARG A 105 1.991 10.476 -5.964 1.00 6.29 H new ATOM 0 HH11 ARG A 105 1.717 10.916 -9.457 1.00 7.50 H new ATOM 0 HH12 ARG A 105 0.336 9.824 -9.602 1.00 7.50 H new ATOM 0 HH21 ARG A 105 0.179 9.114 -6.154 1.00 7.74 H new ATOM 0 HH22 ARG A 105 -0.529 8.810 -7.744 1.00 7.74 H new ATOM 1735 N PRO A 106 2.026 15.668 -5.012 1.00 3.33 N ATOM 1736 CA PRO A 106 0.899 15.674 -4.074 1.00 3.10 C ATOM 1737 C PRO A 106 0.128 14.351 -4.095 1.00 2.43 C ATOM 1738 O PRO A 106 0.050 13.686 -5.131 1.00 2.29 O ATOM 1739 CB PRO A 106 0.004 16.819 -4.583 1.00 3.53 C ATOM 1740 CG PRO A 106 0.785 17.505 -5.656 1.00 4.00 C ATOM 1741 CD PRO A 106 1.733 16.480 -6.198 1.00 3.83 C ATOM 0 HA PRO A 106 1.230 15.804 -3.044 1.00 3.10 H new ATOM 0 HB2 PRO A 106 -0.939 16.434 -4.972 1.00 3.53 H new ATOM 0 HB3 PRO A 106 -0.242 17.510 -3.777 1.00 3.53 H new ATOM 0 HG2 PRO A 106 0.126 17.879 -6.439 1.00 4.00 H new ATOM 0 HG3 PRO A 106 1.325 18.363 -5.257 1.00 4.00 H new ATOM 0 HD2 PRO A 106 1.281 15.889 -6.994 1.00 3.83 H new ATOM 0 HD3 PRO A 106 2.633 16.936 -6.611 1.00 3.83 H new ATOM 1749 N PRO A 107 -0.436 13.944 -2.940 1.00 2.31 N ATOM 1750 CA PRO A 107 -1.247 12.721 -2.835 1.00 1.85 C ATOM 1751 C PRO A 107 -2.479 12.775 -3.729 1.00 1.51 C ATOM 1752 O PRO A 107 -3.379 13.587 -3.507 1.00 1.80 O ATOM 1753 CB PRO A 107 -1.670 12.681 -1.362 1.00 2.23 C ATOM 1754 CG PRO A 107 -1.456 14.065 -0.849 1.00 2.91 C ATOM 1755 CD PRO A 107 -0.324 14.639 -1.649 1.00 2.93 C ATOM 0 HA PRO A 107 -0.688 11.840 -3.152 1.00 1.85 H new ATOM 0 HB2 PRO A 107 -2.713 12.382 -1.261 1.00 2.23 H new ATOM 0 HB3 PRO A 107 -1.076 11.959 -0.802 1.00 2.23 H new ATOM 0 HG2 PRO A 107 -2.358 14.666 -0.964 1.00 2.91 H new ATOM 0 HG3 PRO A 107 -1.214 14.053 0.214 1.00 2.91 H new ATOM 0 HD2 PRO A 107 -0.419 15.719 -1.764 1.00 2.93 H new ATOM 0 HD3 PRO A 107 0.639 14.453 -1.174 1.00 2.93 H new ATOM 1763 N GLN A 108 -2.515 11.913 -4.734 1.00 1.09 N ATOM 1764 CA GLN A 108 -3.613 11.909 -5.690 1.00 0.94 C ATOM 1765 C GLN A 108 -3.994 10.489 -6.097 1.00 0.70 C ATOM 1766 O GLN A 108 -3.210 9.551 -5.925 1.00 0.64 O ATOM 1767 CB GLN A 108 -3.244 12.726 -6.932 1.00 1.18 C ATOM 1768 CG GLN A 108 -1.871 12.407 -7.495 1.00 1.72 C ATOM 1769 CD GLN A 108 -1.538 13.239 -8.716 1.00 2.15 C ATOM 1770 OE1 GLN A 108 -2.422 13.627 -9.482 1.00 2.57 O ATOM 1771 NE2 GLN A 108 -0.262 13.526 -8.904 1.00 2.71 N ATOM 0 H GLN A 108 -1.798 11.209 -4.909 1.00 1.09 H new ATOM 0 HA GLN A 108 -4.475 12.365 -5.203 1.00 0.94 H new ATOM 0 HB2 GLN A 108 -3.992 12.551 -7.705 1.00 1.18 H new ATOM 0 HB3 GLN A 108 -3.286 13.786 -6.683 1.00 1.18 H new ATOM 0 HG2 GLN A 108 -1.118 12.578 -6.726 1.00 1.72 H new ATOM 0 HG3 GLN A 108 -1.825 11.350 -7.756 1.00 1.72 H new ATOM 0 HE21 GLN A 108 0.440 13.186 -8.246 1.00 2.71 H new ATOM 0 HE22 GLN A 108 0.021 14.088 -9.707 1.00 2.71 H new ATOM 1780 N PRO A 109 -5.226 10.327 -6.615 1.00 0.68 N ATOM 1781 CA PRO A 109 -5.735 9.054 -7.142 1.00 0.55 C ATOM 1782 C PRO A 109 -4.792 8.406 -8.151 1.00 0.56 C ATOM 1783 O PRO A 109 -4.340 9.057 -9.095 1.00 0.80 O ATOM 1784 CB PRO A 109 -7.040 9.451 -7.850 1.00 0.65 C ATOM 1785 CG PRO A 109 -7.060 10.941 -7.879 1.00 0.82 C ATOM 1786 CD PRO A 109 -6.242 11.382 -6.712 1.00 0.91 C ATOM 0 HA PRO A 109 -5.856 8.322 -6.344 1.00 0.55 H new ATOM 0 HB2 PRO A 109 -7.075 9.041 -8.859 1.00 0.65 H new ATOM 0 HB3 PRO A 109 -7.907 9.060 -7.317 1.00 0.65 H new ATOM 0 HG2 PRO A 109 -6.644 11.319 -8.813 1.00 0.82 H new ATOM 0 HG3 PRO A 109 -8.080 11.320 -7.807 1.00 0.82 H new ATOM 0 HD2 PRO A 109 -5.794 12.362 -6.878 1.00 0.91 H new ATOM 0 HD3 PRO A 109 -6.839 11.454 -5.803 1.00 0.91 H new ATOM 1794 N LEU A 110 -4.494 7.128 -7.951 1.00 0.49 N ATOM 1795 CA LEU A 110 -3.658 6.394 -8.892 1.00 0.61 C ATOM 1796 C LEU A 110 -4.268 5.038 -9.225 1.00 0.51 C ATOM 1797 O LEU A 110 -3.821 4.355 -10.147 1.00 0.62 O ATOM 1798 CB LEU A 110 -2.246 6.213 -8.329 1.00 0.83 C ATOM 1799 CG LEU A 110 -1.229 5.584 -9.290 1.00 1.22 C ATOM 1800 CD1 LEU A 110 -0.958 6.503 -10.472 1.00 1.89 C ATOM 1801 CD2 LEU A 110 0.065 5.262 -8.562 1.00 1.61 C ATOM 0 H LEU A 110 -4.816 6.582 -7.152 1.00 0.49 H new ATOM 0 HA LEU A 110 -3.598 6.977 -9.811 1.00 0.61 H new ATOM 0 HB2 LEU A 110 -1.870 7.187 -8.016 1.00 0.83 H new ATOM 0 HB3 LEU A 110 -2.307 5.593 -7.435 1.00 0.83 H new ATOM 0 HG LEU A 110 -1.654 4.655 -9.671 1.00 1.22 H new ATOM 0 HD11 LEU A 110 -0.234 6.035 -11.139 1.00 1.89 H new ATOM 0 HD12 LEU A 110 -1.887 6.683 -11.014 1.00 1.89 H new ATOM 0 HD13 LEU A 110 -0.559 7.451 -10.112 1.00 1.89 H new ATOM 0 HD21 LEU A 110 0.774 4.817 -9.260 1.00 1.61 H new ATOM 0 HD22 LEU A 110 0.488 6.178 -8.150 1.00 1.61 H new ATOM 0 HD23 LEU A 110 -0.138 4.560 -7.753 1.00 1.61 H new ATOM 1813 N ASN A 111 -5.312 4.673 -8.497 1.00 0.42 N ATOM 1814 CA ASN A 111 -5.950 3.380 -8.644 1.00 0.48 C ATOM 1815 C ASN A 111 -7.350 3.561 -8.160 1.00 0.42 C ATOM 1816 O ASN A 111 -7.672 4.618 -7.651 1.00 0.50 O ATOM 1817 CB ASN A 111 -5.241 2.299 -7.809 1.00 0.60 C ATOM 1818 CG ASN A 111 -4.040 1.692 -8.506 1.00 1.17 C ATOM 1819 OD1 ASN A 111 -3.034 1.333 -7.729 1.00 1.86 O flip ATOM 1820 ND2 ASN A 111 -4.014 1.544 -9.728 1.00 1.75 N flip ATOM 0 H ASN A 111 -5.739 5.268 -7.787 1.00 0.42 H new ATOM 0 HA ASN A 111 -5.910 3.047 -9.681 1.00 0.48 H new ATOM 0 HB2 ASN A 111 -4.921 2.734 -6.862 1.00 0.60 H new ATOM 0 HB3 ASN A 111 -5.953 1.508 -7.572 1.00 0.60 H new ATOM 0 HD21 ASN A 111 -4.811 1.834 -10.294 1.00 1.75 H new ATOM 0 HD22 ASN A 111 -3.195 1.131 -10.174 1.00 1.75 H new ATOM 1827 N LYS A 112 -8.194 2.586 -8.321 1.00 0.59 N ATOM 1828 CA LYS A 112 -9.484 2.669 -7.728 1.00 0.60 C ATOM 1829 C LYS A 112 -9.953 1.323 -7.263 1.00 0.72 C ATOM 1830 O LYS A 112 -9.723 0.300 -7.910 1.00 0.84 O ATOM 1831 CB LYS A 112 -10.476 3.270 -8.700 1.00 0.72 C ATOM 1832 CG LYS A 112 -10.588 2.542 -10.031 1.00 1.33 C ATOM 1833 CD LYS A 112 -11.671 3.150 -10.911 1.00 1.68 C ATOM 1834 CE LYS A 112 -11.343 4.581 -11.312 1.00 2.31 C ATOM 1835 NZ LYS A 112 -10.146 4.657 -12.193 1.00 2.93 N ATOM 0 H LYS A 112 -8.011 1.735 -8.853 1.00 0.59 H new ATOM 0 HA LYS A 112 -9.413 3.319 -6.856 1.00 0.60 H new ATOM 0 HB2 LYS A 112 -11.459 3.289 -8.229 1.00 0.72 H new ATOM 0 HB3 LYS A 112 -10.194 4.305 -8.891 1.00 0.72 H new ATOM 0 HG2 LYS A 112 -9.631 2.582 -10.550 1.00 1.33 H new ATOM 0 HG3 LYS A 112 -10.810 1.490 -9.854 1.00 1.33 H new ATOM 0 HD2 LYS A 112 -11.794 2.542 -11.807 1.00 1.68 H new ATOM 0 HD3 LYS A 112 -12.623 3.131 -10.380 1.00 1.68 H new ATOM 0 HE2 LYS A 112 -12.199 5.018 -11.826 1.00 2.31 H new ATOM 0 HE3 LYS A 112 -11.171 5.177 -10.416 1.00 2.31 H new ATOM 0 HZ1 LYS A 112 -10.058 5.619 -12.577 1.00 2.93 H new ATOM 0 HZ2 LYS A 112 -9.295 4.425 -11.643 1.00 2.93 H new ATOM 0 HZ3 LYS A 112 -10.247 3.980 -12.976 1.00 2.93 H new ATOM 1849 N TRP A 113 -10.587 1.339 -6.120 1.00 0.77 N ATOM 1850 CA TRP A 113 -11.221 0.170 -5.586 1.00 0.97 C ATOM 1851 C TRP A 113 -12.466 -0.144 -6.393 1.00 1.02 C ATOM 1852 O TRP A 113 -12.824 0.576 -7.324 1.00 1.12 O ATOM 1853 CB TRP A 113 -11.575 0.370 -4.120 1.00 1.07 C ATOM 1854 CG TRP A 113 -12.217 1.702 -3.863 1.00 0.99 C ATOM 1855 CD1 TRP A 113 -11.608 2.816 -3.366 1.00 0.86 C ATOM 1856 CD2 TRP A 113 -13.581 2.070 -4.113 1.00 1.35 C ATOM 1857 NE1 TRP A 113 -12.503 3.851 -3.298 1.00 1.06 N ATOM 1858 CE2 TRP A 113 -13.721 3.418 -3.747 1.00 1.36 C ATOM 1859 CE3 TRP A 113 -14.697 1.392 -4.610 1.00 1.82 C ATOM 1860 CZ2 TRP A 113 -14.928 4.102 -3.867 1.00 1.79 C ATOM 1861 CZ3 TRP A 113 -15.893 2.069 -4.726 1.00 2.23 C ATOM 1862 CH2 TRP A 113 -16.002 3.412 -4.357 1.00 2.20 C ATOM 0 H TRP A 113 -10.677 2.169 -5.533 1.00 0.77 H new ATOM 0 HA TRP A 113 -10.528 -0.669 -5.653 1.00 0.97 H new ATOM 0 HB2 TRP A 113 -12.251 -0.424 -3.801 1.00 1.07 H new ATOM 0 HB3 TRP A 113 -10.672 0.282 -3.516 1.00 1.07 H new ATOM 0 HD1 TRP A 113 -10.571 2.874 -3.069 1.00 0.86 H new ATOM 0 HE1 TRP A 113 -12.295 4.793 -2.966 1.00 1.06 H new ATOM 0 HE3 TRP A 113 -14.624 0.354 -4.899 1.00 1.82 H new ATOM 0 HZ2 TRP A 113 -15.013 5.141 -3.583 1.00 1.79 H new ATOM 0 HZ3 TRP A 113 -16.760 1.552 -5.109 1.00 2.23 H new ATOM 0 HH2 TRP A 113 -16.952 3.915 -4.461 1.00 2.20 H new ATOM 1873 N ARG A 114 -13.116 -1.215 -6.028 1.00 1.34 N ATOM 1874 CA ARG A 114 -14.239 -1.723 -6.779 1.00 1.50 C ATOM 1875 C ARG A 114 -15.464 -1.824 -5.895 1.00 1.82 C ATOM 1876 O ARG A 114 -15.373 -1.631 -4.687 1.00 2.41 O ATOM 1877 CB ARG A 114 -13.885 -3.094 -7.310 1.00 1.80 C ATOM 1878 CG ARG A 114 -12.843 -3.088 -8.421 1.00 2.76 C ATOM 1879 CD ARG A 114 -13.355 -2.394 -9.673 1.00 3.56 C ATOM 1880 NE ARG A 114 -14.509 -3.085 -10.243 1.00 4.38 N ATOM 1881 CZ ARG A 114 -15.487 -2.479 -10.913 1.00 5.34 C ATOM 1882 NH1 ARG A 114 -15.468 -1.161 -11.082 1.00 5.63 N ATOM 1883 NH2 ARG A 114 -16.485 -3.196 -11.414 1.00 6.29 N ATOM 0 H ARG A 114 -12.884 -1.764 -5.200 1.00 1.34 H new ATOM 0 HA ARG A 114 -14.461 -1.044 -7.602 1.00 1.50 H new ATOM 0 HB2 ARG A 114 -13.517 -3.705 -6.486 1.00 1.80 H new ATOM 0 HB3 ARG A 114 -14.792 -3.572 -7.681 1.00 1.80 H new ATOM 0 HG2 ARG A 114 -11.941 -2.586 -8.070 1.00 2.76 H new ATOM 0 HG3 ARG A 114 -12.564 -4.114 -8.663 1.00 2.76 H new ATOM 0 HD2 ARG A 114 -13.629 -1.367 -9.433 1.00 3.56 H new ATOM 0 HD3 ARG A 114 -12.557 -2.346 -10.414 1.00 3.56 H new ATOM 0 HE ARG A 114 -14.569 -4.096 -10.120 1.00 4.38 H new ATOM 0 HH11 ARG A 114 -14.702 -0.609 -10.698 1.00 5.63 H new ATOM 0 HH12 ARG A 114 -16.220 -0.702 -11.596 1.00 5.63 H new ATOM 0 HH21 ARG A 114 -16.501 -4.208 -11.285 1.00 6.29 H new ATOM 0 HH22 ARG A 114 -17.236 -2.735 -11.928 1.00 6.29 H new ATOM 1897 N SER A 115 -16.584 -2.166 -6.512 1.00 2.02 N ATOM 1898 CA SER A 115 -17.867 -2.274 -5.832 1.00 2.76 C ATOM 1899 C SER A 115 -18.978 -2.420 -6.868 1.00 3.19 C ATOM 1900 O SER A 115 -19.507 -1.389 -7.333 1.00 3.60 O ATOM 1901 CB SER A 115 -18.111 -1.059 -4.938 1.00 3.33 C ATOM 1902 OG SER A 115 -19.400 -1.075 -4.348 1.00 4.01 O ATOM 1903 OXT SER A 115 -19.294 -3.567 -7.246 1.00 3.62 O ATOM 0 H SER A 115 -16.629 -2.379 -7.509 1.00 2.02 H new ATOM 0 HA SER A 115 -17.860 -3.156 -5.192 1.00 2.76 H new ATOM 0 HB2 SER A 115 -17.355 -1.031 -4.153 1.00 3.33 H new ATOM 0 HB3 SER A 115 -17.994 -0.149 -5.526 1.00 3.33 H new ATOM 0 HG SER A 115 -19.512 -0.281 -3.784 1.00 4.01 H new TER 1909 SER A 115