USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 804 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 HIS : no HE2:sc= -2.11 K(o=-13,f=-14!) USER MOD Set 1.2: A 88 HIS : no HD1:sc= -10.4! C(o=-13!,f=-14!) USER MOD Set 2.1: A 80 TYR OH : rot 152:sc= 0.626 USER MOD Set 2.2: A 84 GLN : amide:sc= 0.846 K(o=1.5,f=-2.5!) USER MOD Single : A 1 SER N :NH3+ -126:sc= 0.532 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.218 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 9:sc= 1.13 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -8.33! C(o=-8.3!,f=-19!) USER MOD Single : A 25 THR OG1 : rot -26:sc= 0.947! USER MOD Single : A 33 SER OG : rot 140:sc= -0.956 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 133:sc= -10.6! USER MOD Single : A 47 THR OG1 : rot -60:sc= 1.06 USER MOD Single : A 48 GLN : amide:sc= -0.0861 X(o=-0.086,f=-0.48) USER MOD Single : A 52 HIS : no HE2:sc= -3.59! C(o=-3.6!,f=-11!) USER MOD Single : A 53 TYR OH : rot 15:sc= -1.67 USER MOD Single : A 54 LYS NZ :NH3+ -121:sc= 0.591 (180deg=-0.0031) USER MOD Single : A 64 HIS : no HE2:sc= -4.1! C(o=-4.1!,f=-10!) USER MOD Single : A 66 ASN : amide:sc= -0.183 X(o=-0.18,f=-0.33) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -2.08! USER MOD Single : A 79 ASN : amide:sc= -0.195 K(o=-0.2,f=-2.5!) USER MOD Single : A 85 SER OG : rot 180:sc= -0.153 USER MOD Single : A 87 SER OG : rot 118:sc= 0 USER MOD Single : A 96 CYS SG : rot 29:sc= -8.61! USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.0085) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 11.391 5.476 3.856 1.00 4.37 N ATOM 2 CA SER A 1 10.864 4.157 3.416 1.00 3.73 C ATOM 3 C SER A 1 10.172 3.430 4.564 1.00 2.69 C ATOM 4 O SER A 1 10.828 2.905 5.465 1.00 2.77 O ATOM 5 CB SER A 1 12.029 3.319 2.886 1.00 4.22 C ATOM 6 OG SER A 1 13.275 3.886 3.253 1.00 4.87 O ATOM 0 H1 SER A 1 11.027 6.222 3.229 1.00 4.37 H new ATOM 0 H2 SER A 1 11.085 5.664 4.832 1.00 4.37 H new ATOM 0 H3 SER A 1 12.430 5.466 3.815 1.00 4.37 H new ATOM 0 HA SER A 1 10.124 4.311 2.631 1.00 3.73 H new ATOM 0 HB2 SER A 1 11.959 2.304 3.278 1.00 4.22 H new ATOM 0 HB3 SER A 1 11.965 3.247 1.800 1.00 4.22 H new ATOM 0 HG SER A 1 14.003 3.330 2.904 1.00 4.87 H new ATOM 14 N GLU A 2 8.844 3.403 4.526 1.00 2.27 N ATOM 15 CA GLU A 2 8.063 2.739 5.563 1.00 1.73 C ATOM 16 C GLU A 2 6.570 2.826 5.259 1.00 1.26 C ATOM 17 O GLU A 2 5.962 3.889 5.379 1.00 1.39 O ATOM 18 CB GLU A 2 8.354 3.364 6.928 1.00 2.44 C ATOM 19 CG GLU A 2 8.660 2.342 8.012 1.00 3.07 C ATOM 20 CD GLU A 2 9.601 2.880 9.072 1.00 3.31 C ATOM 21 OE1 GLU A 2 9.583 4.105 9.315 1.00 3.46 O ATOM 22 OE2 GLU A 2 10.355 2.076 9.659 1.00 3.85 O ATOM 0 H GLU A 2 8.286 3.833 3.788 1.00 2.27 H new ATOM 0 HA GLU A 2 8.351 1.688 5.583 1.00 1.73 H new ATOM 0 HB2 GLU A 2 9.199 4.045 6.834 1.00 2.44 H new ATOM 0 HB3 GLU A 2 7.496 3.961 7.235 1.00 2.44 H new ATOM 0 HG2 GLU A 2 7.729 2.028 8.484 1.00 3.07 H new ATOM 0 HG3 GLU A 2 9.101 1.455 7.556 1.00 3.07 H new ATOM 29 N PRO A 3 5.963 1.699 4.858 1.00 1.02 N ATOM 30 CA PRO A 3 4.536 1.639 4.533 1.00 0.68 C ATOM 31 C PRO A 3 3.657 1.597 5.778 1.00 0.53 C ATOM 32 O PRO A 3 2.632 2.274 5.850 1.00 1.16 O ATOM 33 CB PRO A 3 4.419 0.329 3.755 1.00 1.09 C ATOM 34 CG PRO A 3 5.498 -0.534 4.313 1.00 1.49 C ATOM 35 CD PRO A 3 6.626 0.393 4.689 1.00 1.49 C ATOM 0 HA PRO A 3 4.202 2.518 3.982 1.00 0.68 H new ATOM 0 HB2 PRO A 3 3.438 -0.126 3.889 1.00 1.09 H new ATOM 0 HB3 PRO A 3 4.552 0.489 2.685 1.00 1.09 H new ATOM 0 HG2 PRO A 3 5.143 -1.088 5.182 1.00 1.49 H new ATOM 0 HG3 PRO A 3 5.827 -1.270 3.579 1.00 1.49 H new ATOM 0 HD2 PRO A 3 7.119 0.072 5.607 1.00 1.49 H new ATOM 0 HD3 PRO A 3 7.390 0.429 3.913 1.00 1.49 H new ATOM 43 N TRP A 4 4.064 0.792 6.755 1.00 0.72 N ATOM 44 CA TRP A 4 3.312 0.655 7.997 1.00 0.66 C ATOM 45 C TRP A 4 2.209 -0.388 7.849 1.00 0.54 C ATOM 46 O TRP A 4 1.067 -0.057 7.527 1.00 0.58 O ATOM 47 CB TRP A 4 2.709 2.000 8.408 1.00 0.91 C ATOM 48 CG TRP A 4 2.882 2.310 9.863 1.00 1.13 C ATOM 49 CD1 TRP A 4 1.894 2.550 10.774 1.00 1.96 C ATOM 50 CD2 TRP A 4 4.120 2.414 10.577 1.00 1.45 C ATOM 51 NE1 TRP A 4 2.440 2.797 12.010 1.00 2.11 N ATOM 52 CE2 TRP A 4 3.805 2.719 11.915 1.00 1.70 C ATOM 53 CE3 TRP A 4 5.463 2.278 10.214 1.00 2.36 C ATOM 54 CZ2 TRP A 4 4.785 2.890 12.889 1.00 2.18 C ATOM 55 CZ3 TRP A 4 6.434 2.449 11.183 1.00 3.09 C ATOM 56 CH2 TRP A 4 6.091 2.751 12.507 1.00 2.83 C ATOM 0 H TRP A 4 4.911 0.225 6.710 1.00 0.72 H new ATOM 0 HA TRP A 4 4.000 0.324 8.775 1.00 0.66 H new ATOM 0 HB2 TRP A 4 3.170 2.792 7.818 1.00 0.91 H new ATOM 0 HB3 TRP A 4 1.646 2.002 8.168 1.00 0.91 H new ATOM 0 HD1 TRP A 4 0.837 2.546 10.555 1.00 1.96 H new ATOM 0 HE1 TRP A 4 1.915 3.005 12.860 1.00 2.11 H new ATOM 0 HE3 TRP A 4 5.737 2.044 9.196 1.00 2.36 H new ATOM 0 HZ2 TRP A 4 4.523 3.124 13.910 1.00 2.18 H new ATOM 0 HZ3 TRP A 4 7.475 2.348 10.914 1.00 3.09 H new ATOM 0 HH2 TRP A 4 6.873 2.877 13.241 1.00 2.83 H new ATOM 67 N PHE A 5 2.560 -1.648 8.081 1.00 0.52 N ATOM 68 CA PHE A 5 1.601 -2.742 7.971 1.00 0.48 C ATOM 69 C PHE A 5 0.473 -2.586 8.984 1.00 0.46 C ATOM 70 O PHE A 5 0.706 -2.574 10.193 1.00 0.57 O ATOM 71 CB PHE A 5 2.304 -4.085 8.176 1.00 0.59 C ATOM 72 CG PHE A 5 3.328 -4.065 9.275 1.00 1.20 C ATOM 73 CD1 PHE A 5 2.962 -4.324 10.586 1.00 2.24 C ATOM 74 CD2 PHE A 5 4.657 -3.789 8.995 1.00 1.22 C ATOM 75 CE1 PHE A 5 3.903 -4.306 11.599 1.00 3.19 C ATOM 76 CE2 PHE A 5 5.602 -3.770 10.004 1.00 2.09 C ATOM 77 CZ PHE A 5 5.224 -4.029 11.307 1.00 3.08 C ATOM 0 H PHE A 5 3.501 -1.938 8.346 1.00 0.52 H new ATOM 0 HA PHE A 5 1.170 -2.712 6.970 1.00 0.48 H new ATOM 0 HB2 PHE A 5 1.557 -4.846 8.400 1.00 0.59 H new ATOM 0 HB3 PHE A 5 2.788 -4.378 7.245 1.00 0.59 H new ATOM 0 HD1 PHE A 5 1.930 -4.542 10.819 1.00 2.24 H new ATOM 0 HD2 PHE A 5 4.958 -3.587 7.978 1.00 1.22 H new ATOM 0 HE1 PHE A 5 3.605 -4.508 12.617 1.00 3.19 H new ATOM 0 HE2 PHE A 5 6.635 -3.553 9.774 1.00 2.09 H new ATOM 0 HZ PHE A 5 5.961 -4.015 12.097 1.00 3.08 H new ATOM 87 N PHE A 6 -0.752 -2.468 8.482 1.00 0.39 N ATOM 88 CA PHE A 6 -1.921 -2.316 9.339 1.00 0.45 C ATOM 89 C PHE A 6 -3.086 -3.147 8.813 1.00 0.61 C ATOM 90 O PHE A 6 -3.888 -2.671 8.010 1.00 1.00 O ATOM 91 CB PHE A 6 -2.328 -0.844 9.428 1.00 0.50 C ATOM 92 CG PHE A 6 -2.063 -0.229 10.773 1.00 0.80 C ATOM 93 CD1 PHE A 6 -2.720 -0.692 11.902 1.00 1.02 C ATOM 94 CD2 PHE A 6 -1.159 0.813 10.908 1.00 1.32 C ATOM 95 CE1 PHE A 6 -2.479 -0.128 13.140 1.00 1.48 C ATOM 96 CE2 PHE A 6 -0.914 1.381 12.144 1.00 1.72 C ATOM 97 CZ PHE A 6 -1.575 0.910 13.261 1.00 1.74 C ATOM 0 H PHE A 6 -0.961 -2.475 7.484 1.00 0.39 H new ATOM 0 HA PHE A 6 -1.661 -2.672 10.336 1.00 0.45 H new ATOM 0 HB2 PHE A 6 -1.789 -0.280 8.667 1.00 0.50 H new ATOM 0 HB3 PHE A 6 -3.390 -0.754 9.199 1.00 0.50 H new ATOM 0 HD1 PHE A 6 -3.428 -1.503 11.813 1.00 1.02 H new ATOM 0 HD2 PHE A 6 -0.640 1.185 10.037 1.00 1.32 H new ATOM 0 HE1 PHE A 6 -2.997 -0.498 14.013 1.00 1.48 H new ATOM 0 HE2 PHE A 6 -0.207 2.192 12.236 1.00 1.72 H new ATOM 0 HZ PHE A 6 -1.386 1.352 14.228 1.00 1.74 H new ATOM 107 N GLY A 7 -3.172 -4.393 9.269 1.00 0.83 N ATOM 108 CA GLY A 7 -4.240 -5.271 8.831 1.00 1.05 C ATOM 109 C GLY A 7 -5.490 -5.134 9.677 1.00 0.82 C ATOM 110 O GLY A 7 -6.266 -6.080 9.806 1.00 0.91 O ATOM 0 H GLY A 7 -2.521 -4.810 9.934 1.00 0.83 H new ATOM 0 HA2 GLY A 7 -4.483 -5.051 7.792 1.00 1.05 H new ATOM 0 HA3 GLY A 7 -3.894 -6.304 8.866 1.00 1.05 H new ATOM 114 N CYS A 8 -5.685 -3.954 10.255 1.00 0.64 N ATOM 115 CA CYS A 8 -6.850 -3.699 11.091 1.00 0.59 C ATOM 116 C CYS A 8 -7.455 -2.333 10.783 1.00 0.58 C ATOM 117 O CYS A 8 -8.032 -1.687 11.658 1.00 0.77 O ATOM 118 CB CYS A 8 -6.470 -3.781 12.571 1.00 0.77 C ATOM 119 SG CYS A 8 -7.171 -5.206 13.435 1.00 1.28 S ATOM 0 H CYS A 8 -5.052 -3.160 10.160 1.00 0.64 H new ATOM 0 HA CYS A 8 -7.596 -4.463 10.872 1.00 0.59 H new ATOM 0 HB2 CYS A 8 -5.384 -3.817 12.655 1.00 0.77 H new ATOM 0 HB3 CYS A 8 -6.798 -2.869 13.070 1.00 0.77 H new ATOM 0 HG CYS A 8 -6.792 -5.189 14.678 1.00 1.28 H new ATOM 125 N ILE A 9 -7.320 -1.900 9.534 1.00 0.54 N ATOM 126 CA ILE A 9 -7.853 -0.611 9.111 1.00 0.52 C ATOM 127 C ILE A 9 -8.797 -0.770 7.924 1.00 0.56 C ATOM 128 O ILE A 9 -8.402 -1.257 6.864 1.00 0.80 O ATOM 129 CB ILE A 9 -6.726 0.366 8.727 1.00 0.44 C ATOM 130 CG1 ILE A 9 -5.806 -0.267 7.682 1.00 0.43 C ATOM 131 CG2 ILE A 9 -5.935 0.772 9.961 1.00 0.45 C ATOM 132 CD1 ILE A 9 -4.752 0.681 7.152 1.00 0.87 C ATOM 0 H ILE A 9 -6.846 -2.423 8.797 1.00 0.54 H new ATOM 0 HA ILE A 9 -8.403 -0.204 9.959 1.00 0.52 H new ATOM 0 HB ILE A 9 -7.173 1.261 8.295 1.00 0.44 H new ATOM 0 HG12 ILE A 9 -5.315 -1.136 8.121 1.00 0.43 H new ATOM 0 HG13 ILE A 9 -6.410 -0.629 6.850 1.00 0.43 H new ATOM 0 HG21 ILE A 9 -5.142 1.463 9.674 1.00 0.45 H new ATOM 0 HG22 ILE A 9 -6.599 1.259 10.675 1.00 0.45 H new ATOM 0 HG23 ILE A 9 -5.496 -0.114 10.420 1.00 0.45 H new ATOM 0 HD11 ILE A 9 -4.136 0.165 6.416 1.00 0.87 H new ATOM 0 HD12 ILE A 9 -5.236 1.538 6.684 1.00 0.87 H new ATOM 0 HD13 ILE A 9 -4.124 1.023 7.974 1.00 0.87 H new ATOM 144 N SER A 10 -10.046 -0.356 8.108 1.00 0.55 N ATOM 145 CA SER A 10 -11.047 -0.453 7.051 1.00 0.59 C ATOM 146 C SER A 10 -10.730 0.511 5.913 1.00 0.52 C ATOM 147 O SER A 10 -9.858 1.371 6.038 1.00 0.49 O ATOM 148 CB SER A 10 -12.440 -0.159 7.611 1.00 0.69 C ATOM 149 OG SER A 10 -13.263 -1.312 7.563 1.00 1.54 O ATOM 0 H SER A 10 -10.390 0.050 8.978 1.00 0.55 H new ATOM 0 HA SER A 10 -11.028 -1.470 6.658 1.00 0.59 H new ATOM 0 HB2 SER A 10 -12.355 0.189 8.641 1.00 0.69 H new ATOM 0 HB3 SER A 10 -12.903 0.646 7.040 1.00 0.69 H new ATOM 0 HG SER A 10 -12.723 -2.089 7.306 1.00 1.54 H new ATOM 155 N ARG A 11 -11.445 0.362 4.802 1.00 0.53 N ATOM 156 CA ARG A 11 -11.240 1.220 3.641 1.00 0.50 C ATOM 157 C ARG A 11 -11.549 2.675 3.977 1.00 0.48 C ATOM 158 O ARG A 11 -11.223 3.582 3.211 1.00 0.46 O ATOM 159 CB ARG A 11 -12.116 0.756 2.476 1.00 0.56 C ATOM 160 CG ARG A 11 -11.561 1.127 1.111 1.00 0.56 C ATOM 161 CD ARG A 11 -11.588 -0.057 0.158 1.00 0.77 C ATOM 162 NE ARG A 11 -11.980 0.336 -1.193 1.00 1.35 N ATOM 163 CZ ARG A 11 -13.242 0.408 -1.601 1.00 1.77 C ATOM 164 NH1 ARG A 11 -14.230 0.115 -0.766 1.00 2.21 N ATOM 165 NH2 ARG A 11 -13.519 0.774 -2.845 1.00 2.38 N ATOM 0 H ARG A 11 -12.171 -0.344 4.682 1.00 0.53 H new ATOM 0 HA ARG A 11 -10.192 1.149 3.349 1.00 0.50 H new ATOM 0 HB2 ARG A 11 -12.233 -0.326 2.529 1.00 0.56 H new ATOM 0 HB3 ARG A 11 -13.110 1.190 2.585 1.00 0.56 H new ATOM 0 HG2 ARG A 11 -12.144 1.947 0.691 1.00 0.56 H new ATOM 0 HG3 ARG A 11 -10.537 1.486 1.219 1.00 0.56 H new ATOM 0 HD2 ARG A 11 -10.602 -0.521 0.129 1.00 0.77 H new ATOM 0 HD3 ARG A 11 -12.283 -0.808 0.533 1.00 0.77 H new ATOM 0 HE ARG A 11 -11.244 0.568 -1.860 1.00 1.35 H new ATOM 0 HH11 ARG A 11 -14.022 -0.166 0.192 1.00 2.21 H new ATOM 0 HH12 ARG A 11 -15.198 0.171 -1.082 1.00 2.21 H new ATOM 0 HH21 ARG A 11 -12.762 1.001 -3.490 1.00 2.38 H new ATOM 0 HH22 ARG A 11 -14.489 0.829 -3.157 1.00 2.38 H new ATOM 179 N SER A 12 -12.180 2.891 5.126 1.00 0.53 N ATOM 180 CA SER A 12 -12.533 4.236 5.563 1.00 0.56 C ATOM 181 C SER A 12 -11.364 4.899 6.284 1.00 0.51 C ATOM 182 O SER A 12 -11.018 6.047 6.004 1.00 0.53 O ATOM 183 CB SER A 12 -13.755 4.192 6.483 1.00 0.65 C ATOM 184 OG SER A 12 -14.932 3.893 5.753 1.00 1.30 O ATOM 0 H SER A 12 -12.457 2.152 5.771 1.00 0.53 H new ATOM 0 HA SER A 12 -12.773 4.826 4.679 1.00 0.56 H new ATOM 0 HB2 SER A 12 -13.604 3.441 7.258 1.00 0.65 H new ATOM 0 HB3 SER A 12 -13.870 5.152 6.987 1.00 0.65 H new ATOM 0 HG SER A 12 -15.698 3.869 6.363 1.00 1.30 H new ATOM 190 N GLU A 13 -10.758 4.168 7.214 1.00 0.49 N ATOM 191 CA GLU A 13 -9.627 4.684 7.976 1.00 0.48 C ATOM 192 C GLU A 13 -8.454 5.007 7.056 1.00 0.43 C ATOM 193 O GLU A 13 -7.809 6.046 7.197 1.00 0.49 O ATOM 194 CB GLU A 13 -9.193 3.671 9.037 1.00 0.53 C ATOM 195 CG GLU A 13 -10.341 3.155 9.890 1.00 0.59 C ATOM 196 CD GLU A 13 -10.208 3.551 11.347 1.00 0.95 C ATOM 197 OE1 GLU A 13 -10.419 4.741 11.661 1.00 1.48 O ATOM 198 OE2 GLU A 13 -9.893 2.670 12.175 1.00 1.74 O ATOM 0 H GLU A 13 -11.032 3.216 7.458 1.00 0.49 H new ATOM 0 HA GLU A 13 -9.943 5.603 8.470 1.00 0.48 H new ATOM 0 HB2 GLU A 13 -8.709 2.827 8.545 1.00 0.53 H new ATOM 0 HB3 GLU A 13 -8.448 4.133 9.685 1.00 0.53 H new ATOM 0 HG2 GLU A 13 -11.282 3.540 9.497 1.00 0.59 H new ATOM 0 HG3 GLU A 13 -10.385 2.068 9.815 1.00 0.59 H new ATOM 205 N ALA A 14 -8.184 4.110 6.113 1.00 0.37 N ATOM 206 CA ALA A 14 -7.089 4.300 5.169 1.00 0.34 C ATOM 207 C ALA A 14 -7.339 5.508 4.273 1.00 0.32 C ATOM 208 O ALA A 14 -6.455 6.341 4.077 1.00 0.40 O ATOM 209 CB ALA A 14 -6.896 3.047 4.328 1.00 0.35 C ATOM 0 H ALA A 14 -8.708 3.245 5.982 1.00 0.37 H new ATOM 0 HA ALA A 14 -6.179 4.487 5.739 1.00 0.34 H new ATOM 0 HB1 ALA A 14 -6.076 3.202 3.627 1.00 0.35 H new ATOM 0 HB2 ALA A 14 -6.663 2.204 4.979 1.00 0.35 H new ATOM 0 HB3 ALA A 14 -7.811 2.836 3.774 1.00 0.35 H new ATOM 215 N VAL A 15 -8.550 5.596 3.733 1.00 0.31 N ATOM 216 CA VAL A 15 -8.916 6.703 2.858 1.00 0.33 C ATOM 217 C VAL A 15 -8.700 8.044 3.550 1.00 0.34 C ATOM 218 O VAL A 15 -8.231 9.002 2.936 1.00 0.37 O ATOM 219 CB VAL A 15 -10.386 6.602 2.408 1.00 0.40 C ATOM 220 CG1 VAL A 15 -10.821 7.882 1.711 1.00 0.94 C ATOM 221 CG2 VAL A 15 -10.585 5.398 1.501 1.00 0.92 C ATOM 0 H VAL A 15 -9.294 4.915 3.886 1.00 0.31 H new ATOM 0 HA VAL A 15 -8.271 6.640 1.982 1.00 0.33 H new ATOM 0 HB VAL A 15 -11.009 6.468 3.292 1.00 0.40 H new ATOM 0 HG11 VAL A 15 -11.862 7.792 1.400 1.00 0.94 H new ATOM 0 HG12 VAL A 15 -10.719 8.723 2.397 1.00 0.94 H new ATOM 0 HG13 VAL A 15 -10.194 8.050 0.835 1.00 0.94 H new ATOM 0 HG21 VAL A 15 -11.629 5.343 1.193 1.00 0.92 H new ATOM 0 HG22 VAL A 15 -9.952 5.498 0.620 1.00 0.92 H new ATOM 0 HG23 VAL A 15 -10.317 4.489 2.039 1.00 0.92 H new ATOM 231 N ARG A 16 -9.045 8.105 4.832 1.00 0.35 N ATOM 232 CA ARG A 16 -8.888 9.330 5.607 1.00 0.38 C ATOM 233 C ARG A 16 -7.461 9.466 6.126 1.00 0.36 C ATOM 234 O ARG A 16 -7.050 10.539 6.567 1.00 0.39 O ATOM 235 CB ARG A 16 -9.873 9.346 6.779 1.00 0.44 C ATOM 236 CG ARG A 16 -10.970 10.388 6.637 1.00 1.33 C ATOM 237 CD ARG A 16 -12.345 9.786 6.880 1.00 1.64 C ATOM 238 NE ARG A 16 -13.407 10.582 6.272 1.00 2.28 N ATOM 239 CZ ARG A 16 -13.773 11.781 6.714 1.00 2.92 C ATOM 240 NH1 ARG A 16 -13.165 12.317 7.763 1.00 3.34 N ATOM 241 NH2 ARG A 16 -14.748 12.444 6.108 1.00 3.63 N ATOM 0 H ARG A 16 -9.435 7.321 5.356 1.00 0.35 H new ATOM 0 HA ARG A 16 -9.099 10.175 4.952 1.00 0.38 H new ATOM 0 HB2 ARG A 16 -10.329 8.361 6.873 1.00 0.44 H new ATOM 0 HB3 ARG A 16 -9.324 9.532 7.702 1.00 0.44 H new ATOM 0 HG2 ARG A 16 -10.797 11.199 7.344 1.00 1.33 H new ATOM 0 HG3 ARG A 16 -10.933 10.823 5.638 1.00 1.33 H new ATOM 0 HD2 ARG A 16 -12.374 8.774 6.476 1.00 1.64 H new ATOM 0 HD3 ARG A 16 -12.521 9.706 7.953 1.00 1.64 H new ATOM 0 HE ARG A 16 -13.895 10.197 5.463 1.00 2.28 H new ATOM 0 HH11 ARG A 16 -12.415 11.809 8.232 1.00 3.34 H new ATOM 0 HH12 ARG A 16 -13.447 13.237 8.101 1.00 3.34 H new ATOM 0 HH21 ARG A 16 -15.219 12.034 5.301 1.00 3.63 H new ATOM 0 HH22 ARG A 16 -15.028 13.364 6.449 1.00 3.63 H new ATOM 255 N ARG A 17 -6.710 8.372 6.068 1.00 0.35 N ATOM 256 CA ARG A 17 -5.327 8.368 6.531 1.00 0.36 C ATOM 257 C ARG A 17 -4.391 8.905 5.454 1.00 0.34 C ATOM 258 O ARG A 17 -3.647 9.859 5.683 1.00 0.41 O ATOM 259 CB ARG A 17 -4.905 6.953 6.930 1.00 0.38 C ATOM 260 CG ARG A 17 -3.708 6.915 7.866 1.00 0.58 C ATOM 261 CD ARG A 17 -3.616 5.587 8.599 1.00 0.65 C ATOM 262 NE ARG A 17 -2.632 5.624 9.677 1.00 1.25 N ATOM 263 CZ ARG A 17 -2.573 4.721 10.651 1.00 1.66 C ATOM 264 NH1 ARG A 17 -3.438 3.716 10.679 1.00 1.99 N ATOM 265 NH2 ARG A 17 -1.649 4.822 11.597 1.00 2.28 N ATOM 0 H ARG A 17 -7.036 7.476 5.705 1.00 0.35 H new ATOM 0 HA ARG A 17 -5.260 9.019 7.403 1.00 0.36 H new ATOM 0 HB2 ARG A 17 -5.747 6.454 7.410 1.00 0.38 H new ATOM 0 HB3 ARG A 17 -4.669 6.386 6.030 1.00 0.38 H new ATOM 0 HG2 ARG A 17 -2.794 7.081 7.296 1.00 0.58 H new ATOM 0 HG3 ARG A 17 -3.785 7.727 8.590 1.00 0.58 H new ATOM 0 HD2 ARG A 17 -4.593 5.331 9.009 1.00 0.65 H new ATOM 0 HD3 ARG A 17 -3.350 4.801 7.893 1.00 0.65 H new ATOM 0 HE ARG A 17 -1.952 6.385 9.683 1.00 1.25 H new ATOM 0 HH11 ARG A 17 -4.150 3.635 9.953 1.00 1.99 H new ATOM 0 HH12 ARG A 17 -3.392 3.024 11.427 1.00 1.99 H new ATOM 0 HH21 ARG A 17 -0.982 5.593 11.578 1.00 2.28 H new ATOM 0 HH22 ARG A 17 -1.605 4.128 12.343 1.00 2.28 H new ATOM 279 N LEU A 18 -4.434 8.287 4.279 1.00 0.29 N ATOM 280 CA LEU A 18 -3.590 8.702 3.165 1.00 0.30 C ATOM 281 C LEU A 18 -3.892 10.141 2.761 1.00 0.34 C ATOM 282 O LEU A 18 -2.982 10.926 2.494 1.00 0.40 O ATOM 283 CB LEU A 18 -3.793 7.770 1.969 1.00 0.30 C ATOM 284 CG LEU A 18 -3.144 6.392 2.107 1.00 0.40 C ATOM 285 CD1 LEU A 18 -1.631 6.519 2.181 1.00 0.74 C ATOM 286 CD2 LEU A 18 -3.681 5.671 3.334 1.00 0.67 C ATOM 0 H LEU A 18 -5.045 7.496 4.073 1.00 0.29 H new ATOM 0 HA LEU A 18 -2.551 8.645 3.488 1.00 0.30 H new ATOM 0 HB2 LEU A 18 -4.863 7.637 1.809 1.00 0.30 H new ATOM 0 HB3 LEU A 18 -3.395 8.255 1.078 1.00 0.30 H new ATOM 0 HG LEU A 18 -3.395 5.803 1.225 1.00 0.40 H new ATOM 0 HD11 LEU A 18 -1.187 5.528 2.279 1.00 0.74 H new ATOM 0 HD12 LEU A 18 -1.261 6.994 1.273 1.00 0.74 H new ATOM 0 HD13 LEU A 18 -1.359 7.126 3.045 1.00 0.74 H new ATOM 0 HD21 LEU A 18 -3.208 4.692 3.417 1.00 0.67 H new ATOM 0 HD22 LEU A 18 -3.460 6.257 4.226 1.00 0.67 H new ATOM 0 HD23 LEU A 18 -4.760 5.546 3.240 1.00 0.67 H new ATOM 298 N GLN A 19 -5.175 10.480 2.719 1.00 0.37 N ATOM 299 CA GLN A 19 -5.599 11.825 2.347 1.00 0.44 C ATOM 300 C GLN A 19 -5.254 12.828 3.443 1.00 0.46 C ATOM 301 O GLN A 19 -5.018 14.005 3.169 1.00 0.56 O ATOM 302 CB GLN A 19 -7.104 11.851 2.073 1.00 0.51 C ATOM 303 CG GLN A 19 -7.452 12.081 0.611 1.00 1.04 C ATOM 304 CD GLN A 19 -8.135 13.415 0.378 1.00 1.55 C ATOM 305 OE1 GLN A 19 -7.598 14.469 0.719 1.00 1.97 O ATOM 306 NE2 GLN A 19 -9.326 13.375 -0.207 1.00 2.32 N ATOM 0 H GLN A 19 -5.940 9.842 2.938 1.00 0.37 H new ATOM 0 HA GLN A 19 -5.066 12.108 1.439 1.00 0.44 H new ATOM 0 HB2 GLN A 19 -7.540 10.906 2.398 1.00 0.51 H new ATOM 0 HB3 GLN A 19 -7.561 12.637 2.675 1.00 0.51 H new ATOM 0 HG2 GLN A 19 -6.542 12.033 0.013 1.00 1.04 H new ATOM 0 HG3 GLN A 19 -8.103 11.278 0.265 1.00 1.04 H new ATOM 0 HE21 GLN A 19 -9.734 12.479 -0.473 1.00 2.32 H new ATOM 0 HE22 GLN A 19 -9.833 14.241 -0.390 1.00 2.32 H new ATOM 315 N ALA A 20 -5.226 12.355 4.685 1.00 0.44 N ATOM 316 CA ALA A 20 -4.909 13.212 5.821 1.00 0.51 C ATOM 317 C ALA A 20 -3.749 14.147 5.495 1.00 0.74 C ATOM 318 O ALA A 20 -3.080 13.989 4.474 1.00 0.97 O ATOM 319 CB ALA A 20 -4.580 12.368 7.043 1.00 0.68 C ATOM 0 H ALA A 20 -5.419 11.384 4.930 1.00 0.44 H new ATOM 0 HA ALA A 20 -5.785 13.823 6.040 1.00 0.51 H new ATOM 0 HB1 ALA A 20 -4.345 13.021 7.884 1.00 0.68 H new ATOM 0 HB2 ALA A 20 -5.437 11.745 7.296 1.00 0.68 H new ATOM 0 HB3 ALA A 20 -3.721 11.733 6.826 1.00 0.68 H new ATOM 325 N GLU A 21 -3.515 15.121 6.369 1.00 0.82 N ATOM 326 CA GLU A 21 -2.434 16.079 6.170 1.00 1.16 C ATOM 327 C GLU A 21 -1.136 15.572 6.788 1.00 0.62 C ATOM 328 O GLU A 21 -0.224 16.349 7.070 1.00 0.91 O ATOM 329 CB GLU A 21 -2.806 17.435 6.774 1.00 1.96 C ATOM 330 CG GLU A 21 -4.286 17.575 7.090 1.00 2.62 C ATOM 331 CD GLU A 21 -4.653 18.970 7.556 1.00 3.10 C ATOM 332 OE1 GLU A 21 -4.102 19.417 8.583 1.00 3.57 O ATOM 333 OE2 GLU A 21 -5.493 19.616 6.894 1.00 3.49 O ATOM 0 H GLU A 21 -4.058 15.267 7.220 1.00 0.82 H new ATOM 0 HA GLU A 21 -2.282 16.198 5.097 1.00 1.16 H new ATOM 0 HB2 GLU A 21 -2.232 17.586 7.688 1.00 1.96 H new ATOM 0 HB3 GLU A 21 -2.515 18.224 6.081 1.00 1.96 H new ATOM 0 HG2 GLU A 21 -4.868 17.327 6.202 1.00 2.62 H new ATOM 0 HG3 GLU A 21 -4.559 16.855 7.861 1.00 2.62 H new ATOM 340 N GLY A 22 -1.062 14.262 6.994 1.00 0.73 N ATOM 341 CA GLY A 22 0.127 13.667 7.574 1.00 0.97 C ATOM 342 C GLY A 22 1.083 13.145 6.521 1.00 0.86 C ATOM 343 O GLY A 22 2.193 12.716 6.837 1.00 1.24 O ATOM 0 H GLY A 22 -1.805 13.601 6.769 1.00 0.73 H new ATOM 0 HA2 GLY A 22 0.638 14.408 8.189 1.00 0.97 H new ATOM 0 HA3 GLY A 22 -0.164 12.850 8.234 1.00 0.97 H new ATOM 347 N ASN A 23 0.651 13.181 5.264 1.00 0.54 N ATOM 348 CA ASN A 23 1.475 12.707 4.158 1.00 0.51 C ATOM 349 C ASN A 23 1.462 13.702 3.003 1.00 0.46 C ATOM 350 O ASN A 23 0.400 14.111 2.535 1.00 0.69 O ATOM 351 CB ASN A 23 0.980 11.343 3.675 1.00 0.74 C ATOM 352 CG ASN A 23 0.479 10.473 4.812 1.00 1.52 C ATOM 353 OD1 ASN A 23 0.886 10.640 5.962 1.00 2.09 O ATOM 354 ND2 ASN A 23 -0.408 9.538 4.495 1.00 2.28 N ATOM 0 H ASN A 23 -0.265 13.534 4.986 1.00 0.54 H new ATOM 0 HA ASN A 23 2.499 12.609 4.518 1.00 0.51 H new ATOM 0 HB2 ASN A 23 0.178 11.486 2.951 1.00 0.74 H new ATOM 0 HB3 ASN A 23 1.789 10.828 3.157 1.00 0.74 H new ATOM 0 HD21 ASN A 23 -0.780 8.922 5.218 1.00 2.28 H new ATOM 0 HD22 ASN A 23 -0.717 9.435 3.528 1.00 2.28 H new ATOM 361 N ALA A 24 2.649 14.086 2.547 1.00 0.43 N ATOM 362 CA ALA A 24 2.776 15.030 1.444 1.00 0.46 C ATOM 363 C ALA A 24 2.878 14.299 0.111 1.00 0.45 C ATOM 364 O ALA A 24 3.738 14.607 -0.714 1.00 0.79 O ATOM 365 CB ALA A 24 3.987 15.926 1.653 1.00 0.63 C ATOM 0 H ALA A 24 3.538 13.757 2.925 1.00 0.43 H new ATOM 0 HA ALA A 24 1.881 15.651 1.422 1.00 0.46 H new ATOM 0 HB1 ALA A 24 4.070 16.626 0.822 1.00 0.63 H new ATOM 0 HB2 ALA A 24 3.873 16.481 2.584 1.00 0.63 H new ATOM 0 HB3 ALA A 24 4.888 15.314 1.703 1.00 0.63 H new ATOM 371 N THR A 25 1.995 13.326 -0.090 1.00 0.39 N ATOM 372 CA THR A 25 1.984 12.546 -1.321 1.00 0.34 C ATOM 373 C THR A 25 3.071 11.477 -1.295 1.00 0.32 C ATOM 374 O THR A 25 4.243 11.774 -1.061 1.00 0.41 O ATOM 375 CB THR A 25 2.176 13.458 -2.533 1.00 0.37 C ATOM 376 OG1 THR A 25 3.552 13.623 -2.824 1.00 0.41 O ATOM 377 CG2 THR A 25 1.578 14.836 -2.346 1.00 0.45 C ATOM 0 H THR A 25 1.278 13.059 0.584 1.00 0.39 H new ATOM 0 HA THR A 25 1.015 12.053 -1.400 1.00 0.34 H new ATOM 0 HB THR A 25 1.656 12.962 -3.352 1.00 0.37 H new ATOM 0 HG1 THR A 25 4.077 13.496 -2.006 1.00 0.41 H new ATOM 0 HG21 THR A 25 1.750 15.432 -3.242 1.00 0.45 H new ATOM 0 HG22 THR A 25 0.506 14.747 -2.169 1.00 0.45 H new ATOM 0 HG23 THR A 25 2.047 15.323 -1.491 1.00 0.45 H new ATOM 385 N GLY A 26 2.673 10.233 -1.535 1.00 0.28 N ATOM 386 CA GLY A 26 3.624 9.137 -1.533 1.00 0.28 C ATOM 387 C GLY A 26 3.364 8.151 -0.412 1.00 0.28 C ATOM 388 O GLY A 26 3.868 7.028 -0.435 1.00 0.32 O ATOM 0 H GLY A 26 1.709 9.964 -1.731 1.00 0.28 H new ATOM 0 HA2 GLY A 26 3.577 8.617 -2.490 1.00 0.28 H new ATOM 0 HA3 GLY A 26 4.634 9.536 -1.436 1.00 0.28 H new ATOM 392 N ALA A 27 2.574 8.572 0.571 1.00 0.29 N ATOM 393 CA ALA A 27 2.247 7.718 1.707 1.00 0.31 C ATOM 394 C ALA A 27 1.645 6.396 1.243 1.00 0.32 C ATOM 395 O ALA A 27 0.933 6.347 0.240 1.00 0.38 O ATOM 396 CB ALA A 27 1.290 8.434 2.648 1.00 0.34 C ATOM 0 H ALA A 27 2.149 9.499 0.604 1.00 0.29 H new ATOM 0 HA ALA A 27 3.170 7.499 2.243 1.00 0.31 H new ATOM 0 HB1 ALA A 27 1.055 7.785 3.491 1.00 0.34 H new ATOM 0 HB2 ALA A 27 1.756 9.349 3.014 1.00 0.34 H new ATOM 0 HB3 ALA A 27 0.373 8.682 2.114 1.00 0.34 H new ATOM 402 N PHE A 28 1.936 5.326 1.976 1.00 0.31 N ATOM 403 CA PHE A 28 1.423 4.004 1.635 1.00 0.32 C ATOM 404 C PHE A 28 1.358 3.112 2.871 1.00 0.31 C ATOM 405 O PHE A 28 2.251 3.143 3.717 1.00 0.33 O ATOM 406 CB PHE A 28 2.308 3.354 0.570 1.00 0.35 C ATOM 407 CG PHE A 28 3.769 3.365 0.919 1.00 1.25 C ATOM 408 CD1 PHE A 28 4.441 4.562 1.110 1.00 1.73 C ATOM 409 CD2 PHE A 28 4.470 2.179 1.058 1.00 1.97 C ATOM 410 CE1 PHE A 28 5.784 4.575 1.433 1.00 2.66 C ATOM 411 CE2 PHE A 28 5.814 2.185 1.381 1.00 2.92 C ATOM 412 CZ PHE A 28 6.472 3.385 1.569 1.00 3.20 C ATOM 0 H PHE A 28 2.524 5.349 2.809 1.00 0.31 H new ATOM 0 HA PHE A 28 0.414 4.121 1.240 1.00 0.32 H new ATOM 0 HB2 PHE A 28 1.986 2.324 0.420 1.00 0.35 H new ATOM 0 HB3 PHE A 28 2.165 3.874 -0.377 1.00 0.35 H new ATOM 0 HD1 PHE A 28 3.908 5.496 1.005 1.00 1.73 H new ATOM 0 HD2 PHE A 28 3.961 1.238 0.912 1.00 1.97 H new ATOM 0 HE1 PHE A 28 6.296 5.515 1.579 1.00 2.66 H new ATOM 0 HE2 PHE A 28 6.349 1.253 1.486 1.00 2.92 H new ATOM 0 HZ PHE A 28 7.522 3.393 1.822 1.00 3.20 H new ATOM 422 N LEU A 29 0.298 2.317 2.968 1.00 0.30 N ATOM 423 CA LEU A 29 0.121 1.416 4.102 1.00 0.30 C ATOM 424 C LEU A 29 -0.305 0.029 3.632 1.00 0.30 C ATOM 425 O LEU A 29 -1.021 -0.110 2.641 1.00 0.32 O ATOM 426 CB LEU A 29 -0.918 1.980 5.074 1.00 0.30 C ATOM 427 CG LEU A 29 -1.984 2.875 4.440 1.00 0.30 C ATOM 428 CD1 LEU A 29 -2.685 2.148 3.303 1.00 0.40 C ATOM 429 CD2 LEU A 29 -2.992 3.324 5.488 1.00 0.39 C ATOM 0 H LEU A 29 -0.451 2.278 2.276 1.00 0.30 H new ATOM 0 HA LEU A 29 1.078 1.328 4.617 1.00 0.30 H new ATOM 0 HB2 LEU A 29 -1.415 1.148 5.573 1.00 0.30 H new ATOM 0 HB3 LEU A 29 -0.399 2.550 5.845 1.00 0.30 H new ATOM 0 HG LEU A 29 -1.494 3.758 4.031 1.00 0.30 H new ATOM 0 HD11 LEU A 29 -3.440 2.801 2.864 1.00 0.40 H new ATOM 0 HD12 LEU A 29 -1.955 1.874 2.541 1.00 0.40 H new ATOM 0 HD13 LEU A 29 -3.163 1.247 3.687 1.00 0.40 H new ATOM 0 HD21 LEU A 29 -3.744 3.960 5.021 1.00 0.39 H new ATOM 0 HD22 LEU A 29 -3.476 2.451 5.925 1.00 0.39 H new ATOM 0 HD23 LEU A 29 -2.479 3.883 6.270 1.00 0.39 H new ATOM 441 N ILE A 30 0.142 -0.996 4.352 1.00 0.30 N ATOM 442 CA ILE A 30 -0.193 -2.374 4.009 1.00 0.31 C ATOM 443 C ILE A 30 -1.177 -2.964 5.013 1.00 0.31 C ATOM 444 O ILE A 30 -0.808 -3.281 6.144 1.00 0.33 O ATOM 445 CB ILE A 30 1.063 -3.266 3.956 1.00 0.36 C ATOM 446 CG1 ILE A 30 2.315 -2.416 3.727 1.00 0.34 C ATOM 447 CG2 ILE A 30 0.922 -4.315 2.864 1.00 0.46 C ATOM 448 CD1 ILE A 30 2.471 -1.942 2.299 1.00 0.55 C ATOM 0 H ILE A 30 0.736 -0.898 5.175 1.00 0.30 H new ATOM 0 HA ILE A 30 -0.652 -2.350 3.021 1.00 0.31 H new ATOM 0 HB ILE A 30 1.166 -3.777 4.914 1.00 0.36 H new ATOM 0 HG12 ILE A 30 2.282 -1.549 4.387 1.00 0.34 H new ATOM 0 HG13 ILE A 30 3.194 -2.996 4.007 1.00 0.34 H new ATOM 0 HG21 ILE A 30 1.817 -4.937 2.839 1.00 0.46 H new ATOM 0 HG22 ILE A 30 0.052 -4.939 3.069 1.00 0.46 H new ATOM 0 HG23 ILE A 30 0.796 -3.822 1.900 1.00 0.46 H new ATOM 0 HD11 ILE A 30 3.379 -1.346 2.211 1.00 0.55 H new ATOM 0 HD12 ILE A 30 2.537 -2.804 1.635 1.00 0.55 H new ATOM 0 HD13 ILE A 30 1.610 -1.334 2.021 1.00 0.55 H new ATOM 460 N ARG A 31 -2.429 -3.110 4.593 1.00 0.32 N ATOM 461 CA ARG A 31 -3.464 -3.663 5.459 1.00 0.35 C ATOM 462 C ARG A 31 -3.934 -5.021 4.946 1.00 0.36 C ATOM 463 O ARG A 31 -3.316 -5.607 4.057 1.00 0.40 O ATOM 464 CB ARG A 31 -4.650 -2.701 5.551 1.00 0.36 C ATOM 465 CG ARG A 31 -5.302 -2.407 4.209 1.00 0.40 C ATOM 466 CD ARG A 31 -5.778 -0.966 4.125 1.00 0.59 C ATOM 467 NE ARG A 31 -6.426 -0.678 2.848 1.00 0.93 N ATOM 468 CZ ARG A 31 -7.670 -1.041 2.556 1.00 1.09 C ATOM 469 NH1 ARG A 31 -8.397 -1.703 3.446 1.00 1.95 N ATOM 470 NH2 ARG A 31 -8.189 -0.743 1.372 1.00 1.17 N ATOM 0 H ARG A 31 -2.751 -2.854 3.660 1.00 0.32 H new ATOM 0 HA ARG A 31 -3.037 -3.798 6.453 1.00 0.35 H new ATOM 0 HB2 ARG A 31 -5.397 -3.122 6.224 1.00 0.36 H new ATOM 0 HB3 ARG A 31 -4.313 -1.764 5.995 1.00 0.36 H new ATOM 0 HG2 ARG A 31 -4.591 -2.604 3.407 1.00 0.40 H new ATOM 0 HG3 ARG A 31 -6.146 -3.080 4.058 1.00 0.40 H new ATOM 0 HD2 ARG A 31 -6.475 -0.766 4.939 1.00 0.59 H new ATOM 0 HD3 ARG A 31 -4.930 -0.295 4.261 1.00 0.59 H new ATOM 0 HE ARG A 31 -5.894 -0.170 2.141 1.00 0.93 H new ATOM 0 HH11 ARG A 31 -8.001 -1.934 4.357 1.00 1.95 H new ATOM 0 HH12 ARG A 31 -9.352 -1.981 3.219 1.00 1.95 H new ATOM 0 HH21 ARG A 31 -7.633 -0.235 0.685 1.00 1.17 H new ATOM 0 HH22 ARG A 31 -9.144 -1.022 1.149 1.00 1.17 H new ATOM 484 N VAL A 32 -5.030 -5.515 5.513 1.00 0.38 N ATOM 485 CA VAL A 32 -5.580 -6.805 5.113 1.00 0.39 C ATOM 486 C VAL A 32 -6.677 -6.636 4.068 1.00 0.39 C ATOM 487 O VAL A 32 -7.354 -5.608 4.023 1.00 0.53 O ATOM 488 CB VAL A 32 -6.151 -7.571 6.320 1.00 0.44 C ATOM 489 CG1 VAL A 32 -5.056 -7.869 7.332 1.00 0.46 C ATOM 490 CG2 VAL A 32 -7.283 -6.785 6.965 1.00 0.47 C ATOM 0 H VAL A 32 -5.554 -5.042 6.250 1.00 0.38 H new ATOM 0 HA VAL A 32 -4.758 -7.378 4.684 1.00 0.39 H new ATOM 0 HB VAL A 32 -6.554 -8.520 5.966 1.00 0.44 H new ATOM 0 HG11 VAL A 32 -5.480 -8.411 8.178 1.00 0.46 H new ATOM 0 HG12 VAL A 32 -4.282 -8.477 6.863 1.00 0.46 H new ATOM 0 HG13 VAL A 32 -4.620 -6.933 7.682 1.00 0.46 H new ATOM 0 HG21 VAL A 32 -7.674 -7.342 7.816 1.00 0.47 H new ATOM 0 HG22 VAL A 32 -6.908 -5.819 7.305 1.00 0.47 H new ATOM 0 HG23 VAL A 32 -8.079 -6.629 6.237 1.00 0.47 H new ATOM 500 N SER A 33 -6.848 -7.652 3.229 1.00 0.41 N ATOM 501 CA SER A 33 -7.863 -7.620 2.183 1.00 0.42 C ATOM 502 C SER A 33 -9.254 -7.837 2.768 1.00 0.39 C ATOM 503 O SER A 33 -9.672 -8.973 2.996 1.00 0.44 O ATOM 504 CB SER A 33 -7.569 -8.686 1.126 1.00 0.56 C ATOM 505 OG SER A 33 -6.679 -9.669 1.627 1.00 1.03 O ATOM 0 H SER A 33 -6.296 -8.509 3.253 1.00 0.41 H new ATOM 0 HA SER A 33 -7.836 -6.636 1.714 1.00 0.42 H new ATOM 0 HB2 SER A 33 -8.500 -9.159 0.813 1.00 0.56 H new ATOM 0 HB3 SER A 33 -7.137 -8.217 0.242 1.00 0.56 H new ATOM 0 HG SER A 33 -6.962 -10.555 1.317 1.00 1.03 H new ATOM 511 N GLU A 34 -9.967 -6.742 3.007 1.00 0.47 N ATOM 512 CA GLU A 34 -11.312 -6.814 3.565 1.00 0.57 C ATOM 513 C GLU A 34 -12.274 -7.470 2.581 1.00 0.62 C ATOM 514 O GLU A 34 -13.269 -8.076 2.980 1.00 0.77 O ATOM 515 CB GLU A 34 -11.811 -5.414 3.930 1.00 0.73 C ATOM 516 CG GLU A 34 -10.923 -4.693 4.931 1.00 1.08 C ATOM 517 CD GLU A 34 -11.531 -4.642 6.318 1.00 1.79 C ATOM 518 OE1 GLU A 34 -11.661 -5.712 6.950 1.00 2.65 O ATOM 519 OE2 GLU A 34 -11.878 -3.532 6.774 1.00 2.13 O ATOM 0 H GLU A 34 -9.636 -5.795 2.823 1.00 0.47 H new ATOM 0 HA GLU A 34 -11.273 -7.424 4.467 1.00 0.57 H new ATOM 0 HB2 GLU A 34 -11.882 -4.815 3.022 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -12.818 -5.492 4.340 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -9.956 -5.194 4.980 1.00 1.08 H new ATOM 0 HG3 GLU A 34 -10.738 -3.677 4.582 1.00 1.08 H new ATOM 526 N LYS A 35 -11.971 -7.343 1.294 1.00 0.57 N ATOM 527 CA LYS A 35 -12.811 -7.923 0.252 1.00 0.63 C ATOM 528 C LYS A 35 -12.203 -9.214 -0.291 1.00 0.55 C ATOM 529 O LYS A 35 -12.868 -10.249 -0.341 1.00 0.64 O ATOM 530 CB LYS A 35 -13.022 -6.923 -0.888 1.00 0.71 C ATOM 531 CG LYS A 35 -12.791 -5.475 -0.482 1.00 0.74 C ATOM 532 CD LYS A 35 -11.480 -4.942 -1.037 1.00 1.36 C ATOM 533 CE LYS A 35 -11.591 -3.473 -1.414 1.00 1.86 C ATOM 534 NZ LYS A 35 -10.766 -3.142 -2.608 1.00 2.42 N ATOM 0 H LYS A 35 -11.151 -6.845 0.947 1.00 0.57 H new ATOM 0 HA LYS A 35 -13.777 -8.160 0.698 1.00 0.63 H new ATOM 0 HB2 LYS A 35 -12.349 -7.173 -1.708 1.00 0.71 H new ATOM 0 HB3 LYS A 35 -14.039 -7.027 -1.267 1.00 0.71 H new ATOM 0 HG2 LYS A 35 -13.616 -4.860 -0.841 1.00 0.74 H new ATOM 0 HG3 LYS A 35 -12.785 -5.398 0.605 1.00 0.74 H new ATOM 0 HD2 LYS A 35 -10.691 -5.070 -0.296 1.00 1.36 H new ATOM 0 HD3 LYS A 35 -11.192 -5.523 -1.913 1.00 1.36 H new ATOM 0 HE2 LYS A 35 -12.634 -3.227 -1.614 1.00 1.86 H new ATOM 0 HE3 LYS A 35 -11.274 -2.857 -0.572 1.00 1.86 H new ATOM 0 HZ1 LYS A 35 -10.869 -2.132 -2.832 1.00 2.42 H new ATOM 0 HZ2 LYS A 35 -9.767 -3.352 -2.409 1.00 2.42 H new ATOM 0 HZ3 LYS A 35 -11.084 -3.711 -3.418 1.00 2.42 H new ATOM 548 N PRO A 36 -10.927 -9.171 -0.707 1.00 0.45 N ATOM 549 CA PRO A 36 -10.231 -10.344 -1.249 1.00 0.42 C ATOM 550 C PRO A 36 -10.177 -11.495 -0.250 1.00 0.50 C ATOM 551 O PRO A 36 -11.004 -11.583 0.656 1.00 0.86 O ATOM 552 CB PRO A 36 -8.819 -9.827 -1.545 1.00 0.37 C ATOM 553 CG PRO A 36 -8.959 -8.346 -1.634 1.00 0.53 C ATOM 554 CD PRO A 36 -10.063 -7.981 -0.684 1.00 0.44 C ATOM 0 HA PRO A 36 -10.740 -10.746 -2.125 1.00 0.42 H new ATOM 0 HB2 PRO A 36 -8.122 -10.110 -0.756 1.00 0.37 H new ATOM 0 HB3 PRO A 36 -8.434 -10.243 -2.476 1.00 0.37 H new ATOM 0 HG2 PRO A 36 -8.028 -7.848 -1.362 1.00 0.53 H new ATOM 0 HG3 PRO A 36 -9.200 -8.037 -2.651 1.00 0.53 H new ATOM 0 HD2 PRO A 36 -9.683 -7.778 0.317 1.00 0.44 H new ATOM 0 HD3 PRO A 36 -10.597 -7.088 -1.010 1.00 0.44 H new ATOM 562 N SER A 37 -9.196 -12.375 -0.423 1.00 0.44 N ATOM 563 CA SER A 37 -9.032 -13.521 0.464 1.00 0.54 C ATOM 564 C SER A 37 -7.555 -13.815 0.706 1.00 0.74 C ATOM 565 O SER A 37 -6.750 -13.808 -0.225 1.00 1.78 O ATOM 566 CB SER A 37 -9.719 -14.753 -0.129 1.00 0.72 C ATOM 567 OG SER A 37 -10.581 -15.361 0.817 1.00 1.47 O ATOM 0 H SER A 37 -8.503 -12.316 -1.169 1.00 0.44 H new ATOM 0 HA SER A 37 -9.497 -13.279 1.420 1.00 0.54 H new ATOM 0 HB2 SER A 37 -10.289 -14.466 -1.013 1.00 0.72 H new ATOM 0 HB3 SER A 37 -8.967 -15.471 -0.455 1.00 0.72 H new ATOM 0 HG SER A 37 -11.009 -16.145 0.413 1.00 1.47 H new ATOM 573 N ALA A 38 -7.207 -14.073 1.962 1.00 0.64 N ATOM 574 CA ALA A 38 -5.827 -14.370 2.326 1.00 0.61 C ATOM 575 C ALA A 38 -4.851 -13.534 1.505 1.00 0.56 C ATOM 576 O ALA A 38 -4.050 -14.071 0.739 1.00 0.86 O ATOM 577 CB ALA A 38 -5.540 -15.852 2.142 1.00 0.75 C ATOM 0 H ALA A 38 -7.861 -14.082 2.744 1.00 0.64 H new ATOM 0 HA ALA A 38 -5.691 -14.113 3.376 1.00 0.61 H new ATOM 0 HB1 ALA A 38 -4.506 -16.059 2.418 1.00 0.75 H new ATOM 0 HB2 ALA A 38 -6.208 -16.434 2.777 1.00 0.75 H new ATOM 0 HB3 ALA A 38 -5.700 -16.127 1.099 1.00 0.75 H new ATOM 583 N ASP A 39 -4.923 -12.217 1.670 1.00 0.39 N ATOM 584 CA ASP A 39 -4.046 -11.307 0.943 1.00 0.32 C ATOM 585 C ASP A 39 -3.891 -9.987 1.692 1.00 0.30 C ATOM 586 O ASP A 39 -4.325 -9.856 2.836 1.00 0.35 O ATOM 587 CB ASP A 39 -4.594 -11.049 -0.461 1.00 0.31 C ATOM 588 CG ASP A 39 -4.004 -11.989 -1.494 1.00 0.40 C ATOM 589 OD1 ASP A 39 -3.044 -12.713 -1.158 1.00 1.05 O ATOM 590 OD2 ASP A 39 -4.502 -12.000 -2.640 1.00 1.30 O ATOM 0 H ASP A 39 -5.579 -11.757 2.301 1.00 0.39 H new ATOM 0 HA ASP A 39 -3.065 -11.775 0.861 1.00 0.32 H new ATOM 0 HB2 ASP A 39 -5.678 -11.159 -0.451 1.00 0.31 H new ATOM 0 HB3 ASP A 39 -4.381 -10.019 -0.747 1.00 0.31 H new ATOM 595 N TYR A 40 -3.270 -9.011 1.037 1.00 0.26 N ATOM 596 CA TYR A 40 -3.057 -7.701 1.640 1.00 0.26 C ATOM 597 C TYR A 40 -3.300 -6.590 0.624 1.00 0.23 C ATOM 598 O TYR A 40 -2.987 -6.737 -0.557 1.00 0.24 O ATOM 599 CB TYR A 40 -1.636 -7.597 2.198 1.00 0.30 C ATOM 600 CG TYR A 40 -1.547 -7.864 3.683 1.00 0.37 C ATOM 601 CD1 TYR A 40 -1.927 -9.092 4.211 1.00 0.45 C ATOM 602 CD2 TYR A 40 -1.083 -6.889 4.558 1.00 0.59 C ATOM 603 CE1 TYR A 40 -1.847 -9.341 5.568 1.00 0.54 C ATOM 604 CE2 TYR A 40 -1.000 -7.130 5.916 1.00 0.66 C ATOM 605 CZ TYR A 40 -1.383 -8.357 6.416 1.00 0.56 C ATOM 606 OH TYR A 40 -1.301 -8.601 7.767 1.00 0.67 O ATOM 0 H TYR A 40 -2.906 -9.103 0.089 1.00 0.26 H new ATOM 0 HA TYR A 40 -3.769 -7.584 2.457 1.00 0.26 H new ATOM 0 HB2 TYR A 40 -0.995 -8.304 1.671 1.00 0.30 H new ATOM 0 HB3 TYR A 40 -1.246 -6.600 1.993 1.00 0.30 H new ATOM 0 HD1 TYR A 40 -2.291 -9.865 3.550 1.00 0.45 H new ATOM 0 HD2 TYR A 40 -0.782 -5.927 4.170 1.00 0.59 H new ATOM 0 HE1 TYR A 40 -2.146 -10.301 5.962 1.00 0.54 H new ATOM 0 HE2 TYR A 40 -0.637 -6.362 6.582 1.00 0.66 H new ATOM 0 HH TYR A 40 -0.954 -7.806 8.223 1.00 0.67 H new ATOM 616 N VAL A 41 -3.859 -5.478 1.092 1.00 0.25 N ATOM 617 CA VAL A 41 -4.142 -4.343 0.222 1.00 0.25 C ATOM 618 C VAL A 41 -3.354 -3.111 0.654 1.00 0.26 C ATOM 619 O VAL A 41 -3.212 -2.840 1.846 1.00 0.31 O ATOM 620 CB VAL A 41 -5.644 -4.001 0.213 1.00 0.27 C ATOM 621 CG1 VAL A 41 -6.444 -5.124 -0.427 1.00 0.28 C ATOM 622 CG2 VAL A 41 -6.137 -3.720 1.624 1.00 0.30 C ATOM 0 H VAL A 41 -4.124 -5.339 2.067 1.00 0.25 H new ATOM 0 HA VAL A 41 -3.838 -4.632 -0.784 1.00 0.25 H new ATOM 0 HB VAL A 41 -5.789 -3.100 -0.382 1.00 0.27 H new ATOM 0 HG11 VAL A 41 -7.503 -4.864 -0.424 1.00 0.28 H new ATOM 0 HG12 VAL A 41 -6.109 -5.270 -1.454 1.00 0.28 H new ATOM 0 HG13 VAL A 41 -6.295 -6.044 0.138 1.00 0.28 H new ATOM 0 HG21 VAL A 41 -7.200 -3.480 1.597 1.00 0.30 H new ATOM 0 HG22 VAL A 41 -5.979 -4.601 2.247 1.00 0.30 H new ATOM 0 HG23 VAL A 41 -5.586 -2.877 2.041 1.00 0.30 H new ATOM 632 N LEU A 42 -2.844 -2.369 -0.323 1.00 0.23 N ATOM 633 CA LEU A 42 -2.069 -1.166 -0.043 1.00 0.23 C ATOM 634 C LEU A 42 -2.790 0.077 -0.552 1.00 0.23 C ATOM 635 O LEU A 42 -3.413 0.055 -1.613 1.00 0.30 O ATOM 636 CB LEU A 42 -0.684 -1.265 -0.685 1.00 0.24 C ATOM 637 CG LEU A 42 0.123 0.034 -0.684 1.00 0.29 C ATOM 638 CD1 LEU A 42 0.818 0.229 0.654 1.00 0.46 C ATOM 639 CD2 LEU A 42 1.137 0.030 -1.818 1.00 0.30 C ATOM 0 H LEU A 42 -2.953 -2.579 -1.315 1.00 0.23 H new ATOM 0 HA LEU A 42 -1.956 -1.081 1.038 1.00 0.23 H new ATOM 0 HB2 LEU A 42 -0.112 -2.031 -0.162 1.00 0.24 H new ATOM 0 HB3 LEU A 42 -0.801 -1.602 -1.715 1.00 0.24 H new ATOM 0 HG LEU A 42 -0.563 0.867 -0.838 1.00 0.29 H new ATOM 0 HD11 LEU A 42 1.387 1.158 0.636 1.00 0.46 H new ATOM 0 HD12 LEU A 42 0.073 0.275 1.448 1.00 0.46 H new ATOM 0 HD13 LEU A 42 1.493 -0.607 0.839 1.00 0.46 H new ATOM 0 HD21 LEU A 42 1.703 0.961 -1.803 1.00 0.30 H new ATOM 0 HD22 LEU A 42 1.819 -0.811 -1.693 1.00 0.30 H new ATOM 0 HD23 LEU A 42 0.617 -0.063 -2.771 1.00 0.30 H new ATOM 651 N SER A 43 -2.701 1.160 0.213 1.00 0.29 N ATOM 652 CA SER A 43 -3.343 2.415 -0.160 1.00 0.28 C ATOM 653 C SER A 43 -2.342 3.565 -0.139 1.00 0.30 C ATOM 654 O SER A 43 -1.602 3.738 0.829 1.00 0.49 O ATOM 655 CB SER A 43 -4.507 2.718 0.785 1.00 0.33 C ATOM 656 OG SER A 43 -4.156 3.720 1.723 1.00 0.73 O ATOM 0 H SER A 43 -2.190 1.194 1.095 1.00 0.29 H new ATOM 0 HA SER A 43 -3.727 2.310 -1.175 1.00 0.28 H new ATOM 0 HB2 SER A 43 -5.373 3.043 0.208 1.00 0.33 H new ATOM 0 HB3 SER A 43 -4.798 1.809 1.311 1.00 0.33 H new ATOM 0 HG SER A 43 -4.870 4.390 1.769 1.00 0.73 H new ATOM 662 N VAL A 44 -2.323 4.346 -1.214 1.00 0.27 N ATOM 663 CA VAL A 44 -1.410 5.477 -1.318 1.00 0.27 C ATOM 664 C VAL A 44 -2.148 6.751 -1.710 1.00 0.30 C ATOM 665 O VAL A 44 -2.978 6.747 -2.619 1.00 0.31 O ATOM 666 CB VAL A 44 -0.296 5.207 -2.346 1.00 0.26 C ATOM 667 CG1 VAL A 44 -0.883 5.037 -3.739 1.00 0.31 C ATOM 668 CG2 VAL A 44 0.733 6.327 -2.327 1.00 0.28 C ATOM 0 H VAL A 44 -2.929 4.216 -2.024 1.00 0.27 H new ATOM 0 HA VAL A 44 -0.963 5.610 -0.333 1.00 0.27 H new ATOM 0 HB VAL A 44 0.206 4.279 -2.073 1.00 0.26 H new ATOM 0 HG11 VAL A 44 -0.080 4.847 -4.451 1.00 0.31 H new ATOM 0 HG12 VAL A 44 -1.577 4.196 -3.741 1.00 0.31 H new ATOM 0 HG13 VAL A 44 -1.413 5.946 -4.024 1.00 0.31 H new ATOM 0 HG21 VAL A 44 1.512 6.118 -3.060 1.00 0.28 H new ATOM 0 HG22 VAL A 44 0.247 7.271 -2.573 1.00 0.28 H new ATOM 0 HG23 VAL A 44 1.178 6.395 -1.334 1.00 0.28 H new ATOM 678 N ARG A 45 -1.834 7.843 -1.019 1.00 0.34 N ATOM 679 CA ARG A 45 -2.463 9.128 -1.296 1.00 0.39 C ATOM 680 C ARG A 45 -2.056 9.648 -2.672 1.00 0.39 C ATOM 681 O ARG A 45 -2.614 10.629 -3.164 1.00 0.46 O ATOM 682 CB ARG A 45 -2.080 10.148 -0.221 1.00 0.42 C ATOM 683 CG ARG A 45 -2.408 11.583 -0.598 1.00 0.73 C ATOM 684 CD ARG A 45 -1.888 12.564 0.440 1.00 0.75 C ATOM 685 NE ARG A 45 -2.890 13.565 0.798 1.00 1.42 N ATOM 686 CZ ARG A 45 -3.063 14.703 0.134 1.00 1.84 C ATOM 687 NH1 ARG A 45 -2.304 14.983 -0.916 1.00 2.25 N ATOM 688 NH2 ARG A 45 -3.996 15.563 0.521 1.00 2.33 N ATOM 0 H ARG A 45 -1.148 7.863 -0.264 1.00 0.34 H new ATOM 0 HA ARG A 45 -3.544 8.985 -1.286 1.00 0.39 H new ATOM 0 HB2 ARG A 45 -2.597 9.898 0.706 1.00 0.42 H new ATOM 0 HB3 ARG A 45 -1.011 10.069 -0.022 1.00 0.42 H new ATOM 0 HG2 ARG A 45 -1.971 11.814 -1.570 1.00 0.73 H new ATOM 0 HG3 ARG A 45 -3.487 11.696 -0.699 1.00 0.73 H new ATOM 0 HD2 ARG A 45 -1.585 12.019 1.334 1.00 0.75 H new ATOM 0 HD3 ARG A 45 -0.999 13.063 0.054 1.00 0.75 H new ATOM 0 HE ARG A 45 -3.490 13.380 1.602 1.00 1.42 H new ATOM 0 HH11 ARG A 45 -1.585 14.324 -1.216 1.00 2.25 H new ATOM 0 HH12 ARG A 45 -2.439 15.857 -1.424 1.00 2.25 H new ATOM 0 HH21 ARG A 45 -4.581 15.351 1.329 1.00 2.33 H new ATOM 0 HH22 ARG A 45 -4.128 16.436 0.011 1.00 2.33 H new ATOM 702 N ASP A 46 -1.082 8.985 -3.289 1.00 0.35 N ATOM 703 CA ASP A 46 -0.605 9.383 -4.608 1.00 0.40 C ATOM 704 C ASP A 46 -0.164 10.843 -4.607 1.00 0.48 C ATOM 705 O ASP A 46 0.996 11.152 -4.336 1.00 1.06 O ATOM 706 CB ASP A 46 -1.698 9.168 -5.656 1.00 0.47 C ATOM 707 CG ASP A 46 -1.517 7.873 -6.422 1.00 1.02 C ATOM 708 OD1 ASP A 46 -1.891 6.808 -5.887 1.00 1.54 O ATOM 709 OD2 ASP A 46 -1.000 7.922 -7.558 1.00 1.86 O ATOM 0 H ASP A 46 -0.609 8.171 -2.897 1.00 0.35 H new ATOM 0 HA ASP A 46 0.255 8.762 -4.859 1.00 0.40 H new ATOM 0 HB2 ASP A 46 -2.672 9.164 -5.166 1.00 0.47 H new ATOM 0 HB3 ASP A 46 -1.696 10.004 -6.355 1.00 0.47 H new ATOM 714 N THR A 47 -1.099 11.737 -4.911 1.00 0.61 N ATOM 715 CA THR A 47 -0.810 13.166 -4.945 1.00 0.60 C ATOM 716 C THR A 47 -2.043 13.978 -4.565 1.00 0.63 C ATOM 717 O THR A 47 -2.117 15.177 -4.833 1.00 0.72 O ATOM 718 CB THR A 47 -0.323 13.576 -6.336 1.00 0.69 C ATOM 719 OG1 THR A 47 -0.268 14.987 -6.451 1.00 0.73 O ATOM 720 CG2 THR A 47 -1.200 13.057 -7.454 1.00 0.85 C ATOM 0 H THR A 47 -2.064 11.497 -5.138 1.00 0.61 H new ATOM 0 HA THR A 47 -0.024 13.371 -4.218 1.00 0.60 H new ATOM 0 HB THR A 47 0.667 13.132 -6.439 1.00 0.69 H new ATOM 0 HG1 THR A 47 -1.161 15.363 -6.300 1.00 0.73 H new ATOM 0 HG21 THR A 47 -0.798 13.384 -8.413 1.00 0.85 H new ATOM 0 HG22 THR A 47 -1.223 11.968 -7.422 1.00 0.85 H new ATOM 0 HG23 THR A 47 -2.211 13.445 -7.333 1.00 0.85 H new ATOM 728 N GLN A 48 -3.010 13.315 -3.939 1.00 0.65 N ATOM 729 CA GLN A 48 -4.243 13.973 -3.521 1.00 0.76 C ATOM 730 C GLN A 48 -5.218 12.967 -2.922 1.00 0.89 C ATOM 731 O GLN A 48 -5.205 12.715 -1.717 1.00 1.84 O ATOM 732 CB GLN A 48 -4.892 14.687 -4.708 1.00 0.85 C ATOM 733 CG GLN A 48 -4.502 16.151 -4.826 1.00 0.86 C ATOM 734 CD GLN A 48 -5.702 17.064 -4.984 1.00 1.06 C ATOM 735 OE1 GLN A 48 -6.702 16.693 -5.599 1.00 1.42 O ATOM 736 NE2 GLN A 48 -5.609 18.266 -4.428 1.00 1.72 N ATOM 0 H GLN A 48 -2.964 12.322 -3.710 1.00 0.65 H new ATOM 0 HA GLN A 48 -3.993 14.709 -2.757 1.00 0.76 H new ATOM 0 HB2 GLN A 48 -4.615 14.171 -5.627 1.00 0.85 H new ATOM 0 HB3 GLN A 48 -5.976 14.615 -4.616 1.00 0.85 H new ATOM 0 HG2 GLN A 48 -3.940 16.446 -3.940 1.00 0.86 H new ATOM 0 HG3 GLN A 48 -3.838 16.278 -5.681 1.00 0.86 H new ATOM 0 HE21 GLN A 48 -4.761 18.532 -3.927 1.00 1.72 H new ATOM 0 HE22 GLN A 48 -6.385 18.923 -4.502 1.00 1.72 H new ATOM 745 N ALA A 49 -6.063 12.393 -3.771 1.00 0.46 N ATOM 746 CA ALA A 49 -7.046 11.412 -3.327 1.00 0.45 C ATOM 747 C ALA A 49 -6.364 10.183 -2.736 1.00 0.42 C ATOM 748 O ALA A 49 -5.158 10.188 -2.488 1.00 0.68 O ATOM 749 CB ALA A 49 -7.951 11.013 -4.482 1.00 0.49 C ATOM 0 H ALA A 49 -6.087 12.590 -4.771 1.00 0.46 H new ATOM 0 HA ALA A 49 -7.654 11.869 -2.546 1.00 0.45 H new ATOM 0 HB1 ALA A 49 -8.680 10.280 -4.137 1.00 0.49 H new ATOM 0 HB2 ALA A 49 -8.472 11.894 -4.857 1.00 0.49 H new ATOM 0 HB3 ALA A 49 -7.351 10.579 -5.281 1.00 0.49 H new ATOM 755 N VAL A 50 -7.143 9.130 -2.514 1.00 0.30 N ATOM 756 CA VAL A 50 -6.614 7.893 -1.953 1.00 0.25 C ATOM 757 C VAL A 50 -6.742 6.741 -2.943 1.00 0.25 C ATOM 758 O VAL A 50 -7.831 6.454 -3.440 1.00 0.39 O ATOM 759 CB VAL A 50 -7.337 7.514 -0.647 1.00 0.26 C ATOM 760 CG1 VAL A 50 -6.810 6.193 -0.108 1.00 0.27 C ATOM 761 CG2 VAL A 50 -7.186 8.619 0.387 1.00 0.28 C ATOM 0 H VAL A 50 -8.143 9.109 -2.714 1.00 0.30 H new ATOM 0 HA VAL A 50 -5.560 8.069 -1.739 1.00 0.25 H new ATOM 0 HB VAL A 50 -8.399 7.393 -0.863 1.00 0.26 H new ATOM 0 HG11 VAL A 50 -7.333 5.942 0.815 1.00 0.27 H new ATOM 0 HG12 VAL A 50 -6.977 5.407 -0.845 1.00 0.27 H new ATOM 0 HG13 VAL A 50 -5.742 6.282 0.093 1.00 0.27 H new ATOM 0 HG21 VAL A 50 -7.703 8.333 1.303 1.00 0.28 H new ATOM 0 HG22 VAL A 50 -6.129 8.775 0.601 1.00 0.28 H new ATOM 0 HG23 VAL A 50 -7.618 9.542 -0.001 1.00 0.28 H new ATOM 771 N ARG A 51 -5.622 6.083 -3.225 1.00 0.24 N ATOM 772 CA ARG A 51 -5.609 4.960 -4.156 1.00 0.26 C ATOM 773 C ARG A 51 -5.215 3.670 -3.446 1.00 0.23 C ATOM 774 O ARG A 51 -4.213 3.622 -2.732 1.00 0.24 O ATOM 775 CB ARG A 51 -4.641 5.238 -5.308 1.00 0.33 C ATOM 776 CG ARG A 51 -4.747 6.648 -5.866 1.00 0.34 C ATOM 777 CD ARG A 51 -4.366 6.695 -7.337 1.00 0.66 C ATOM 778 NE ARG A 51 -5.491 7.085 -8.181 1.00 1.03 N ATOM 779 CZ ARG A 51 -5.457 7.064 -9.510 1.00 1.54 C ATOM 780 NH1 ARG A 51 -4.358 6.672 -10.140 1.00 2.32 N ATOM 781 NH2 ARG A 51 -6.521 7.433 -10.209 1.00 1.99 N ATOM 0 H ARG A 51 -4.712 6.308 -2.822 1.00 0.24 H new ATOM 0 HA ARG A 51 -6.616 4.840 -4.557 1.00 0.26 H new ATOM 0 HB2 ARG A 51 -3.621 5.069 -4.963 1.00 0.33 H new ATOM 0 HB3 ARG A 51 -4.829 4.524 -6.110 1.00 0.33 H new ATOM 0 HG2 ARG A 51 -5.766 7.014 -5.741 1.00 0.34 H new ATOM 0 HG3 ARG A 51 -4.097 7.315 -5.299 1.00 0.34 H new ATOM 0 HD2 ARG A 51 -3.546 7.400 -7.477 1.00 0.66 H new ATOM 0 HD3 ARG A 51 -4.001 5.716 -7.648 1.00 0.66 H new ATOM 0 HE ARG A 51 -6.351 7.391 -7.726 1.00 1.03 H new ATOM 0 HH11 ARG A 51 -3.538 6.386 -9.605 1.00 2.32 H new ATOM 0 HH12 ARG A 51 -4.333 6.656 -11.160 1.00 2.32 H new ATOM 0 HH21 ARG A 51 -7.368 7.734 -9.727 1.00 1.99 H new ATOM 0 HH22 ARG A 51 -6.492 7.416 -11.228 1.00 1.99 H new ATOM 795 N HIS A 52 -6.011 2.624 -3.645 1.00 0.24 N ATOM 796 CA HIS A 52 -5.746 1.332 -3.022 1.00 0.23 C ATOM 797 C HIS A 52 -5.325 0.301 -4.064 1.00 0.24 C ATOM 798 O HIS A 52 -5.474 0.522 -5.266 1.00 0.30 O ATOM 799 CB HIS A 52 -6.985 0.839 -2.273 1.00 0.30 C ATOM 800 CG HIS A 52 -7.548 1.848 -1.321 1.00 0.34 C ATOM 801 ND1 HIS A 52 -7.211 1.893 0.015 1.00 0.37 N ATOM 802 CD2 HIS A 52 -8.431 2.856 -1.518 1.00 0.46 C ATOM 803 CE1 HIS A 52 -7.862 2.883 0.599 1.00 0.46 C ATOM 804 NE2 HIS A 52 -8.608 3.483 -0.310 1.00 0.53 N ATOM 0 H HIS A 52 -6.844 2.646 -4.233 1.00 0.24 H new ATOM 0 HA HIS A 52 -4.928 1.461 -2.313 1.00 0.23 H new ATOM 0 HB2 HIS A 52 -7.753 0.566 -2.997 1.00 0.30 H new ATOM 0 HB3 HIS A 52 -6.730 -0.066 -1.722 1.00 0.30 H new ATOM 0 HD1 HIS A 52 -6.560 1.260 0.480 1.00 0.37 H new ATOM 0 HD2 HIS A 52 -8.907 3.118 -2.451 1.00 0.46 H new ATOM 0 HE1 HIS A 52 -7.795 3.155 1.642 1.00 0.46 H new ATOM 813 N TYR A 53 -4.798 -0.825 -3.595 1.00 0.21 N ATOM 814 CA TYR A 53 -4.355 -1.891 -4.486 1.00 0.23 C ATOM 815 C TYR A 53 -4.378 -3.240 -3.774 1.00 0.22 C ATOM 816 O TYR A 53 -4.097 -3.326 -2.578 1.00 0.33 O ATOM 817 CB TYR A 53 -2.946 -1.599 -5.004 1.00 0.26 C ATOM 818 CG TYR A 53 -2.695 -0.135 -5.288 1.00 0.34 C ATOM 819 CD1 TYR A 53 -3.126 0.446 -6.474 1.00 0.43 C ATOM 820 CD2 TYR A 53 -2.029 0.667 -4.370 1.00 0.49 C ATOM 821 CE1 TYR A 53 -2.900 1.783 -6.738 1.00 0.56 C ATOM 822 CE2 TYR A 53 -1.798 2.005 -4.626 1.00 0.61 C ATOM 823 CZ TYR A 53 -2.236 2.558 -5.811 1.00 0.63 C ATOM 824 OH TYR A 53 -2.009 3.891 -6.069 1.00 0.78 O ATOM 0 H TYR A 53 -4.667 -1.023 -2.603 1.00 0.21 H new ATOM 0 HA TYR A 53 -5.043 -1.934 -5.330 1.00 0.23 H new ATOM 0 HB2 TYR A 53 -2.219 -1.948 -4.270 1.00 0.26 H new ATOM 0 HB3 TYR A 53 -2.778 -2.171 -5.916 1.00 0.26 H new ATOM 0 HD1 TYR A 53 -3.647 -0.158 -7.202 1.00 0.43 H new ATOM 0 HD2 TYR A 53 -1.686 0.237 -3.440 1.00 0.49 H new ATOM 0 HE1 TYR A 53 -3.242 2.219 -7.665 1.00 0.56 H new ATOM 0 HE2 TYR A 53 -1.277 2.614 -3.902 1.00 0.61 H new ATOM 0 HH TYR A 53 -2.574 4.180 -6.816 1.00 0.78 H new ATOM 834 N LYS A 54 -4.714 -4.290 -4.516 1.00 0.20 N ATOM 835 CA LYS A 54 -4.774 -5.634 -3.955 1.00 0.19 C ATOM 836 C LYS A 54 -3.444 -6.359 -4.137 1.00 0.18 C ATOM 837 O LYS A 54 -2.901 -6.412 -5.241 1.00 0.22 O ATOM 838 CB LYS A 54 -5.898 -6.435 -4.613 1.00 0.23 C ATOM 839 CG LYS A 54 -5.952 -7.887 -4.169 1.00 0.33 C ATOM 840 CD LYS A 54 -6.894 -8.702 -5.041 1.00 0.65 C ATOM 841 CE LYS A 54 -6.193 -9.219 -6.286 1.00 0.75 C ATOM 842 NZ LYS A 54 -7.142 -9.421 -7.415 1.00 1.74 N ATOM 0 H LYS A 54 -4.949 -4.236 -5.507 1.00 0.20 H new ATOM 0 HA LYS A 54 -4.977 -5.546 -2.888 1.00 0.19 H new ATOM 0 HB2 LYS A 54 -6.852 -5.959 -4.387 1.00 0.23 H new ATOM 0 HB3 LYS A 54 -5.773 -6.399 -5.695 1.00 0.23 H new ATOM 0 HG2 LYS A 54 -4.952 -8.318 -4.210 1.00 0.33 H new ATOM 0 HG3 LYS A 54 -6.279 -7.939 -3.131 1.00 0.33 H new ATOM 0 HD2 LYS A 54 -7.287 -9.542 -4.468 1.00 0.65 H new ATOM 0 HD3 LYS A 54 -7.746 -8.088 -5.331 1.00 0.65 H new ATOM 0 HE2 LYS A 54 -5.418 -8.514 -6.585 1.00 0.75 H new ATOM 0 HE3 LYS A 54 -5.695 -10.161 -6.057 1.00 0.75 H new ATOM 0 HZ1 LYS A 54 -7.116 -10.416 -7.717 1.00 1.74 H new ATOM 0 HZ2 LYS A 54 -8.105 -9.178 -7.107 1.00 1.74 H new ATOM 0 HZ3 LYS A 54 -6.869 -8.810 -8.211 1.00 1.74 H new ATOM 856 N ILE A 55 -2.924 -6.915 -3.048 1.00 0.18 N ATOM 857 CA ILE A 55 -1.658 -7.637 -3.088 1.00 0.19 C ATOM 858 C ILE A 55 -1.884 -9.144 -3.046 1.00 0.19 C ATOM 859 O ILE A 55 -2.170 -9.710 -1.991 1.00 0.23 O ATOM 860 CB ILE A 55 -0.744 -7.234 -1.915 1.00 0.21 C ATOM 861 CG1 ILE A 55 -0.868 -5.736 -1.632 1.00 0.21 C ATOM 862 CG2 ILE A 55 0.700 -7.603 -2.218 1.00 0.25 C ATOM 863 CD1 ILE A 55 -0.483 -5.354 -0.219 1.00 0.28 C ATOM 0 H ILE A 55 -3.360 -6.879 -2.127 1.00 0.18 H new ATOM 0 HA ILE A 55 -1.171 -7.371 -4.026 1.00 0.19 H new ATOM 0 HB ILE A 55 -1.060 -7.779 -1.025 1.00 0.21 H new ATOM 0 HG12 ILE A 55 -0.237 -5.189 -2.332 1.00 0.21 H new ATOM 0 HG13 ILE A 55 -1.896 -5.423 -1.817 1.00 0.21 H new ATOM 0 HG21 ILE A 55 1.333 -7.312 -1.380 1.00 0.25 H new ATOM 0 HG22 ILE A 55 0.776 -8.679 -2.373 1.00 0.25 H new ATOM 0 HG23 ILE A 55 1.027 -7.083 -3.118 1.00 0.25 H new ATOM 0 HD11 ILE A 55 -0.595 -4.278 -0.090 1.00 0.28 H new ATOM 0 HD12 ILE A 55 -1.130 -5.874 0.488 1.00 0.28 H new ATOM 0 HD13 ILE A 55 0.554 -5.635 -0.036 1.00 0.28 H new ATOM 875 N TRP A 56 -1.752 -9.789 -4.201 1.00 0.20 N ATOM 876 CA TRP A 56 -1.941 -11.232 -4.296 1.00 0.23 C ATOM 877 C TRP A 56 -0.634 -11.971 -4.027 1.00 0.23 C ATOM 878 O TRP A 56 0.399 -11.662 -4.621 1.00 0.29 O ATOM 879 CB TRP A 56 -2.477 -11.607 -5.678 1.00 0.28 C ATOM 880 CG TRP A 56 -3.362 -12.816 -5.664 1.00 0.42 C ATOM 881 CD1 TRP A 56 -3.151 -13.978 -4.980 1.00 0.82 C ATOM 882 CD2 TRP A 56 -4.598 -12.982 -6.368 1.00 0.95 C ATOM 883 NE1 TRP A 56 -4.180 -14.857 -5.215 1.00 0.81 N ATOM 884 CE2 TRP A 56 -5.081 -14.269 -6.064 1.00 0.91 C ATOM 885 CE3 TRP A 56 -5.344 -12.168 -7.225 1.00 1.71 C ATOM 886 CZ2 TRP A 56 -6.275 -14.759 -6.586 1.00 1.44 C ATOM 887 CZ3 TRP A 56 -6.530 -12.656 -7.743 1.00 2.30 C ATOM 888 CH2 TRP A 56 -6.985 -13.941 -7.422 1.00 2.13 C ATOM 0 H TRP A 56 -1.515 -9.335 -5.083 1.00 0.20 H new ATOM 0 HA TRP A 56 -2.667 -11.529 -3.539 1.00 0.23 H new ATOM 0 HB2 TRP A 56 -3.034 -10.763 -6.085 1.00 0.28 H new ATOM 0 HB3 TRP A 56 -1.637 -11.788 -6.349 1.00 0.28 H new ATOM 0 HD1 TRP A 56 -2.299 -14.177 -4.346 1.00 0.82 H new ATOM 0 HE1 TRP A 56 -4.260 -15.795 -4.822 1.00 0.81 H new ATOM 0 HE3 TRP A 56 -5.001 -11.176 -7.478 1.00 1.71 H new ATOM 0 HZ2 TRP A 56 -6.628 -15.749 -6.340 1.00 1.44 H new ATOM 0 HZ3 TRP A 56 -7.115 -12.036 -8.406 1.00 2.30 H new ATOM 0 HH2 TRP A 56 -7.915 -14.293 -7.843 1.00 2.13 H new ATOM 899 N ARG A 57 -0.687 -12.948 -3.128 1.00 0.25 N ATOM 900 CA ARG A 57 0.492 -13.732 -2.780 1.00 0.27 C ATOM 901 C ARG A 57 0.610 -14.963 -3.673 1.00 0.30 C ATOM 902 O ARG A 57 -0.385 -15.449 -4.211 1.00 0.46 O ATOM 903 CB ARG A 57 0.434 -14.156 -1.312 1.00 0.36 C ATOM 904 CG ARG A 57 1.689 -14.869 -0.834 1.00 0.55 C ATOM 905 CD ARG A 57 1.413 -15.716 0.397 1.00 0.85 C ATOM 906 NE ARG A 57 1.842 -15.053 1.625 1.00 1.56 N ATOM 907 CZ ARG A 57 1.743 -15.602 2.832 1.00 2.08 C ATOM 908 NH1 ARG A 57 1.231 -16.817 2.970 1.00 2.73 N ATOM 909 NH2 ARG A 57 2.156 -14.935 3.901 1.00 2.50 N ATOM 0 H ARG A 57 -1.534 -13.216 -2.627 1.00 0.25 H new ATOM 0 HA ARG A 57 1.371 -13.107 -2.935 1.00 0.27 H new ATOM 0 HB2 ARG A 57 0.270 -13.273 -0.694 1.00 0.36 H new ATOM 0 HB3 ARG A 57 -0.424 -14.812 -1.166 1.00 0.36 H new ATOM 0 HG2 ARG A 57 2.076 -15.501 -1.633 1.00 0.55 H new ATOM 0 HG3 ARG A 57 2.462 -14.135 -0.606 1.00 0.55 H new ATOM 0 HD2 ARG A 57 0.346 -15.933 0.456 1.00 0.85 H new ATOM 0 HD3 ARG A 57 1.928 -16.672 0.302 1.00 0.85 H new ATOM 0 HE ARG A 57 2.240 -14.117 1.553 1.00 1.56 H new ATOM 0 HH11 ARG A 57 0.912 -17.332 2.149 1.00 2.73 H new ATOM 0 HH12 ARG A 57 1.156 -17.237 3.897 1.00 2.73 H new ATOM 0 HH21 ARG A 57 2.550 -14.000 3.798 1.00 2.50 H new ATOM 0 HH22 ARG A 57 2.080 -15.357 4.826 1.00 2.50 H new ATOM 923 N ARG A 58 1.832 -15.463 -3.825 1.00 0.34 N ATOM 924 CA ARG A 58 2.079 -16.639 -4.652 1.00 0.38 C ATOM 925 C ARG A 58 1.999 -17.915 -3.821 1.00 0.47 C ATOM 926 O ARG A 58 2.679 -18.900 -4.110 1.00 1.16 O ATOM 927 CB ARG A 58 3.451 -16.537 -5.321 1.00 0.38 C ATOM 928 CG ARG A 58 3.530 -15.455 -6.386 1.00 0.46 C ATOM 929 CD ARG A 58 4.214 -15.962 -7.645 1.00 0.80 C ATOM 930 NE ARG A 58 3.353 -15.846 -8.819 1.00 1.41 N ATOM 931 CZ ARG A 58 3.707 -16.254 -10.034 1.00 1.82 C ATOM 932 NH1 ARG A 58 4.898 -16.801 -10.231 1.00 2.43 N ATOM 933 NH2 ARG A 58 2.869 -16.115 -11.052 1.00 2.23 N ATOM 0 H ARG A 58 2.666 -15.073 -3.387 1.00 0.34 H new ATOM 0 HA ARG A 58 1.309 -16.680 -5.422 1.00 0.38 H new ATOM 0 HB2 ARG A 58 4.204 -16.340 -4.558 1.00 0.38 H new ATOM 0 HB3 ARG A 58 3.698 -17.498 -5.772 1.00 0.38 H new ATOM 0 HG2 ARG A 58 2.526 -15.109 -6.630 1.00 0.46 H new ATOM 0 HG3 ARG A 58 4.076 -14.597 -5.994 1.00 0.46 H new ATOM 0 HD2 ARG A 58 5.132 -15.398 -7.811 1.00 0.80 H new ATOM 0 HD3 ARG A 58 4.501 -17.004 -7.507 1.00 0.80 H new ATOM 0 HE ARG A 58 2.430 -15.429 -8.700 1.00 1.41 H new ATOM 0 HH11 ARG A 58 5.545 -16.910 -9.450 1.00 2.43 H new ATOM 0 HH12 ARG A 58 5.168 -17.113 -11.164 1.00 2.43 H new ATOM 0 HH21 ARG A 58 1.952 -15.695 -10.904 1.00 2.23 H new ATOM 0 HH22 ARG A 58 3.142 -16.428 -11.984 1.00 2.23 H new ATOM 947 N ALA A 59 1.163 -17.891 -2.788 1.00 0.84 N ATOM 948 CA ALA A 59 0.994 -19.046 -1.915 1.00 0.90 C ATOM 949 C ALA A 59 2.334 -19.713 -1.621 1.00 0.75 C ATOM 950 O ALA A 59 2.659 -20.753 -2.194 1.00 1.16 O ATOM 951 CB ALA A 59 0.032 -20.044 -2.541 1.00 1.33 C ATOM 0 H ALA A 59 0.592 -17.084 -2.535 1.00 0.84 H new ATOM 0 HA ALA A 59 0.576 -18.698 -0.970 1.00 0.90 H new ATOM 0 HB1 ALA A 59 -0.085 -20.902 -1.878 1.00 1.33 H new ATOM 0 HB2 ALA A 59 -0.937 -19.569 -2.694 1.00 1.33 H new ATOM 0 HB3 ALA A 59 0.427 -20.378 -3.500 1.00 1.33 H new ATOM 957 N GLY A 60 3.106 -19.108 -0.725 1.00 0.73 N ATOM 958 CA GLY A 60 4.402 -19.658 -0.372 1.00 1.12 C ATOM 959 C GLY A 60 5.351 -18.606 0.167 1.00 0.89 C ATOM 960 O GLY A 60 6.098 -18.860 1.112 1.00 1.42 O ATOM 0 H GLY A 60 2.858 -18.247 -0.237 1.00 0.73 H new ATOM 0 HA2 GLY A 60 4.270 -20.441 0.375 1.00 1.12 H new ATOM 0 HA3 GLY A 60 4.846 -20.127 -1.250 1.00 1.12 H new ATOM 964 N GLY A 61 5.323 -17.422 -0.436 1.00 0.50 N ATOM 965 CA GLY A 61 6.192 -16.346 0.002 1.00 0.45 C ATOM 966 C GLY A 61 6.534 -15.383 -1.118 1.00 0.45 C ATOM 967 O GLY A 61 7.694 -15.266 -1.513 1.00 0.52 O ATOM 0 H GLY A 61 4.714 -17.189 -1.220 1.00 0.50 H new ATOM 0 HA2 GLY A 61 5.708 -15.799 0.812 1.00 0.45 H new ATOM 0 HA3 GLY A 61 7.112 -16.768 0.407 1.00 0.45 H new ATOM 971 N ARG A 62 5.521 -14.693 -1.632 1.00 0.40 N ATOM 972 CA ARG A 62 5.719 -13.736 -2.714 1.00 0.41 C ATOM 973 C ARG A 62 4.449 -12.930 -2.967 1.00 0.42 C ATOM 974 O ARG A 62 3.434 -13.473 -3.404 1.00 0.69 O ATOM 975 CB ARG A 62 6.141 -14.460 -3.993 1.00 0.43 C ATOM 976 CG ARG A 62 6.972 -13.602 -4.933 1.00 0.55 C ATOM 977 CD ARG A 62 7.406 -14.383 -6.163 1.00 0.84 C ATOM 978 NE ARG A 62 8.854 -14.565 -6.211 1.00 1.37 N ATOM 979 CZ ARG A 62 9.494 -15.099 -7.247 1.00 1.97 C ATOM 980 NH1 ARG A 62 8.816 -15.500 -8.313 1.00 2.43 N ATOM 981 NH2 ARG A 62 10.813 -15.232 -7.217 1.00 2.65 N ATOM 0 H ARG A 62 4.555 -14.779 -1.317 1.00 0.40 H new ATOM 0 HA ARG A 62 6.511 -13.048 -2.417 1.00 0.41 H new ATOM 0 HB2 ARG A 62 6.712 -15.349 -3.726 1.00 0.43 H new ATOM 0 HB3 ARG A 62 5.249 -14.801 -4.519 1.00 0.43 H new ATOM 0 HG2 ARG A 62 6.393 -12.731 -5.239 1.00 0.55 H new ATOM 0 HG3 ARG A 62 7.852 -13.231 -4.407 1.00 0.55 H new ATOM 0 HD2 ARG A 62 6.918 -15.357 -6.165 1.00 0.84 H new ATOM 0 HD3 ARG A 62 7.076 -13.859 -7.060 1.00 0.84 H new ATOM 0 HE ARG A 62 9.405 -14.266 -5.406 1.00 1.37 H new ATOM 0 HH11 ARG A 62 7.801 -15.399 -8.340 1.00 2.43 H new ATOM 0 HH12 ARG A 62 9.309 -15.909 -9.107 1.00 2.43 H new ATOM 0 HH21 ARG A 62 11.338 -14.924 -6.398 1.00 2.65 H new ATOM 0 HH22 ARG A 62 11.302 -15.642 -8.013 1.00 2.65 H new ATOM 995 N LEU A 63 4.512 -11.632 -2.689 1.00 0.30 N ATOM 996 CA LEU A 63 3.367 -10.751 -2.887 1.00 0.27 C ATOM 997 C LEU A 63 3.506 -9.962 -4.184 1.00 0.28 C ATOM 998 O LEU A 63 4.607 -9.571 -4.570 1.00 0.32 O ATOM 999 CB LEU A 63 3.225 -9.791 -1.704 1.00 0.27 C ATOM 1000 CG LEU A 63 2.360 -10.305 -0.553 1.00 0.29 C ATOM 1001 CD1 LEU A 63 0.937 -10.559 -1.026 1.00 0.26 C ATOM 1002 CD2 LEU A 63 2.961 -11.571 0.040 1.00 0.35 C ATOM 0 H LEU A 63 5.344 -11.167 -2.326 1.00 0.30 H new ATOM 0 HA LEU A 63 2.472 -11.369 -2.953 1.00 0.27 H new ATOM 0 HB2 LEU A 63 4.219 -9.565 -1.318 1.00 0.27 H new ATOM 0 HB3 LEU A 63 2.802 -8.854 -2.065 1.00 0.27 H new ATOM 0 HG LEU A 63 2.331 -9.541 0.224 1.00 0.29 H new ATOM 0 HD11 LEU A 63 0.336 -10.924 -0.193 1.00 0.26 H new ATOM 0 HD12 LEU A 63 0.508 -9.631 -1.403 1.00 0.26 H new ATOM 0 HD13 LEU A 63 0.946 -11.304 -1.821 1.00 0.26 H new ATOM 0 HD21 LEU A 63 2.333 -11.923 0.858 1.00 0.35 H new ATOM 0 HD22 LEU A 63 3.020 -12.341 -0.730 1.00 0.35 H new ATOM 0 HD23 LEU A 63 3.961 -11.357 0.417 1.00 0.35 H new ATOM 1014 N HIS A 64 2.381 -9.731 -4.853 1.00 0.25 N ATOM 1015 CA HIS A 64 2.377 -8.988 -6.108 1.00 0.27 C ATOM 1016 C HIS A 64 1.033 -8.301 -6.330 1.00 0.26 C ATOM 1017 O HIS A 64 0.000 -8.960 -6.447 1.00 0.27 O ATOM 1018 CB HIS A 64 2.684 -9.922 -7.279 1.00 0.31 C ATOM 1019 CG HIS A 64 1.559 -10.851 -7.615 1.00 0.40 C ATOM 1020 ND1 HIS A 64 0.620 -10.576 -8.587 1.00 0.98 N ATOM 1021 CD2 HIS A 64 1.224 -12.059 -7.102 1.00 0.47 C ATOM 1022 CE1 HIS A 64 -0.244 -11.573 -8.657 1.00 0.98 C ATOM 1023 NE2 HIS A 64 0.101 -12.485 -7.767 1.00 0.51 N ATOM 0 H HIS A 64 1.461 -10.047 -4.547 1.00 0.25 H new ATOM 0 HA HIS A 64 3.151 -8.223 -6.050 1.00 0.27 H new ATOM 0 HB2 HIS A 64 2.924 -9.323 -8.157 1.00 0.31 H new ATOM 0 HB3 HIS A 64 3.571 -10.510 -7.042 1.00 0.31 H new ATOM 0 HD1 HIS A 64 0.596 -9.734 -9.162 1.00 0.98 H new ATOM 0 HD2 HIS A 64 1.743 -12.588 -6.317 1.00 0.47 H new ATOM 0 HE1 HIS A 64 -1.088 -11.632 -9.328 1.00 0.98 H new ATOM 1032 N LEU A 65 1.055 -6.974 -6.387 1.00 0.25 N ATOM 1033 CA LEU A 65 -0.162 -6.198 -6.595 1.00 0.26 C ATOM 1034 C LEU A 65 -0.661 -6.340 -8.029 1.00 0.29 C ATOM 1035 O LEU A 65 -1.786 -5.956 -8.346 1.00 0.32 O ATOM 1036 CB LEU A 65 0.087 -4.723 -6.274 1.00 0.28 C ATOM 1037 CG LEU A 65 0.406 -4.424 -4.808 1.00 0.33 C ATOM 1038 CD1 LEU A 65 1.876 -4.684 -4.519 1.00 0.43 C ATOM 1039 CD2 LEU A 65 0.040 -2.988 -4.466 1.00 0.51 C ATOM 0 H LEU A 65 1.902 -6.413 -6.292 1.00 0.25 H new ATOM 0 HA LEU A 65 -0.928 -6.585 -5.923 1.00 0.26 H new ATOM 0 HB2 LEU A 65 0.913 -4.367 -6.890 1.00 0.28 H new ATOM 0 HB3 LEU A 65 -0.795 -4.150 -6.562 1.00 0.28 H new ATOM 0 HG LEU A 65 -0.190 -5.089 -4.183 1.00 0.33 H new ATOM 0 HD11 LEU A 65 2.085 -4.466 -3.472 1.00 0.43 H new ATOM 0 HD12 LEU A 65 2.108 -5.729 -4.726 1.00 0.43 H new ATOM 0 HD13 LEU A 65 2.490 -4.044 -5.152 1.00 0.43 H new ATOM 0 HD21 LEU A 65 0.273 -2.792 -3.419 1.00 0.51 H new ATOM 0 HD22 LEU A 65 0.610 -2.307 -5.098 1.00 0.51 H new ATOM 0 HD23 LEU A 65 -1.026 -2.834 -4.635 1.00 0.51 H new ATOM 1051 N ASN A 66 0.184 -6.895 -8.892 1.00 0.33 N ATOM 1052 CA ASN A 66 -0.170 -7.088 -10.293 1.00 0.39 C ATOM 1053 C ASN A 66 0.638 -8.227 -10.906 1.00 0.41 C ATOM 1054 O ASN A 66 1.479 -8.833 -10.242 1.00 0.41 O ATOM 1055 CB ASN A 66 0.062 -5.799 -11.082 1.00 0.45 C ATOM 1056 CG ASN A 66 -1.212 -5.266 -11.707 1.00 0.71 C ATOM 1057 OD1 ASN A 66 -2.300 -5.417 -11.151 1.00 1.59 O ATOM 1058 ND2 ASN A 66 -1.083 -4.637 -12.869 1.00 1.14 N ATOM 0 H ASN A 66 1.119 -7.219 -8.645 1.00 0.33 H new ATOM 0 HA ASN A 66 -1.227 -7.349 -10.342 1.00 0.39 H new ATOM 0 HB2 ASN A 66 0.483 -5.042 -10.420 1.00 0.45 H new ATOM 0 HB3 ASN A 66 0.798 -5.983 -11.865 1.00 0.45 H new ATOM 0 HD21 ASN A 66 -1.905 -4.256 -13.337 1.00 1.14 H new ATOM 0 HD22 ASN A 66 -0.161 -4.535 -13.294 1.00 1.14 H new ATOM 1065 N GLU A 67 0.379 -8.511 -12.179 1.00 0.46 N ATOM 1066 CA GLU A 67 1.083 -9.577 -12.882 1.00 0.52 C ATOM 1067 C GLU A 67 2.439 -9.096 -13.393 1.00 0.55 C ATOM 1068 O GLU A 67 3.111 -9.797 -14.149 1.00 0.65 O ATOM 1069 CB GLU A 67 0.238 -10.089 -14.050 1.00 0.59 C ATOM 1070 CG GLU A 67 -1.147 -10.560 -13.639 1.00 1.24 C ATOM 1071 CD GLU A 67 -2.185 -10.331 -14.720 1.00 1.67 C ATOM 1072 OE1 GLU A 67 -1.792 -10.041 -15.869 1.00 2.20 O ATOM 1073 OE2 GLU A 67 -3.392 -10.441 -14.417 1.00 2.33 O ATOM 0 H GLU A 67 -0.313 -8.018 -12.744 1.00 0.46 H new ATOM 0 HA GLU A 67 1.251 -10.391 -12.177 1.00 0.52 H new ATOM 0 HB2 GLU A 67 0.138 -9.295 -14.790 1.00 0.59 H new ATOM 0 HB3 GLU A 67 0.764 -10.912 -14.534 1.00 0.59 H new ATOM 0 HG2 GLU A 67 -1.109 -11.622 -13.396 1.00 1.24 H new ATOM 0 HG3 GLU A 67 -1.451 -10.037 -12.732 1.00 1.24 H new ATOM 1080 N ALA A 68 2.835 -7.897 -12.977 1.00 0.62 N ATOM 1081 CA ALA A 68 4.110 -7.327 -13.394 1.00 0.67 C ATOM 1082 C ALA A 68 4.865 -6.743 -12.205 1.00 0.62 C ATOM 1083 O ALA A 68 5.854 -6.029 -12.375 1.00 0.70 O ATOM 1084 CB ALA A 68 3.889 -6.260 -14.456 1.00 0.72 C ATOM 0 H ALA A 68 2.291 -7.302 -12.352 1.00 0.62 H new ATOM 0 HA ALA A 68 4.716 -8.127 -13.819 1.00 0.67 H new ATOM 0 HB1 ALA A 68 4.850 -5.843 -14.758 1.00 0.72 H new ATOM 0 HB2 ALA A 68 3.398 -6.704 -15.322 1.00 0.72 H new ATOM 0 HB3 ALA A 68 3.261 -5.467 -14.050 1.00 0.72 H new ATOM 1090 N VAL A 69 4.394 -7.052 -11.001 1.00 0.59 N ATOM 1091 CA VAL A 69 5.025 -6.558 -9.784 1.00 0.56 C ATOM 1092 C VAL A 69 4.943 -7.589 -8.663 1.00 0.60 C ATOM 1093 O VAL A 69 4.058 -7.524 -7.810 1.00 1.03 O ATOM 1094 CB VAL A 69 4.375 -5.246 -9.306 1.00 0.52 C ATOM 1095 CG1 VAL A 69 4.620 -4.131 -10.311 1.00 0.66 C ATOM 1096 CG2 VAL A 69 2.886 -5.443 -9.070 1.00 0.65 C ATOM 0 H VAL A 69 3.577 -7.642 -10.843 1.00 0.59 H new ATOM 0 HA VAL A 69 6.071 -6.370 -10.026 1.00 0.56 H new ATOM 0 HB VAL A 69 4.834 -4.958 -8.360 1.00 0.52 H new ATOM 0 HG11 VAL A 69 4.153 -3.212 -9.956 1.00 0.66 H new ATOM 0 HG12 VAL A 69 5.692 -3.973 -10.425 1.00 0.66 H new ATOM 0 HG13 VAL A 69 4.190 -4.408 -11.274 1.00 0.66 H new ATOM 0 HG21 VAL A 69 2.444 -4.505 -8.733 1.00 0.65 H new ATOM 0 HG22 VAL A 69 2.409 -5.756 -9.999 1.00 0.65 H new ATOM 0 HG23 VAL A 69 2.736 -6.209 -8.309 1.00 0.65 H new ATOM 1106 N SER A 70 5.871 -8.540 -8.672 1.00 0.36 N ATOM 1107 CA SER A 70 5.904 -9.586 -7.656 1.00 0.35 C ATOM 1108 C SER A 70 7.198 -9.521 -6.851 1.00 0.34 C ATOM 1109 O SER A 70 8.262 -9.219 -7.392 1.00 0.37 O ATOM 1110 CB SER A 70 5.763 -10.963 -8.307 1.00 0.40 C ATOM 1111 OG SER A 70 5.543 -10.848 -9.703 1.00 1.05 O ATOM 0 H SER A 70 6.610 -8.608 -9.371 1.00 0.36 H new ATOM 0 HA SER A 70 5.066 -9.426 -6.977 1.00 0.35 H new ATOM 0 HB2 SER A 70 6.664 -11.549 -8.125 1.00 0.40 H new ATOM 0 HB3 SER A 70 4.934 -11.502 -7.848 1.00 0.40 H new ATOM 0 HG SER A 70 5.458 -11.742 -10.096 1.00 1.05 H new ATOM 1117 N PHE A 71 7.099 -9.805 -5.557 1.00 0.33 N ATOM 1118 CA PHE A 71 8.262 -9.778 -4.678 1.00 0.34 C ATOM 1119 C PHE A 71 8.146 -10.836 -3.587 1.00 0.35 C ATOM 1120 O PHE A 71 7.111 -10.959 -2.933 1.00 0.33 O ATOM 1121 CB PHE A 71 8.422 -8.393 -4.051 1.00 0.33 C ATOM 1122 CG PHE A 71 9.653 -7.666 -4.512 1.00 0.39 C ATOM 1123 CD1 PHE A 71 10.866 -7.856 -3.870 1.00 0.48 C ATOM 1124 CD2 PHE A 71 9.597 -6.795 -5.588 1.00 0.73 C ATOM 1125 CE1 PHE A 71 12.001 -7.189 -4.293 1.00 0.65 C ATOM 1126 CE2 PHE A 71 10.728 -6.125 -6.015 1.00 0.91 C ATOM 1127 CZ PHE A 71 11.932 -6.323 -5.366 1.00 0.81 C ATOM 0 H PHE A 71 6.226 -10.056 -5.094 1.00 0.33 H new ATOM 0 HA PHE A 71 9.144 -10.000 -5.278 1.00 0.34 H new ATOM 0 HB2 PHE A 71 7.544 -7.792 -4.288 1.00 0.33 H new ATOM 0 HB3 PHE A 71 8.455 -8.495 -2.966 1.00 0.33 H new ATOM 0 HD1 PHE A 71 10.926 -8.532 -3.030 1.00 0.48 H new ATOM 0 HD2 PHE A 71 8.659 -6.638 -6.099 1.00 0.73 H new ATOM 0 HE1 PHE A 71 12.941 -7.345 -3.784 1.00 0.65 H new ATOM 0 HE2 PHE A 71 10.671 -5.448 -6.854 1.00 0.91 H new ATOM 0 HZ PHE A 71 12.817 -5.801 -5.698 1.00 0.81 H new ATOM 1137 N LEU A 72 9.219 -11.598 -3.402 1.00 0.40 N ATOM 1138 CA LEU A 72 9.254 -12.654 -2.396 1.00 0.42 C ATOM 1139 C LEU A 72 8.432 -12.280 -1.166 1.00 0.40 C ATOM 1140 O LEU A 72 7.673 -13.097 -0.645 1.00 0.42 O ATOM 1141 CB LEU A 72 10.700 -12.940 -1.986 1.00 0.47 C ATOM 1142 CG LEU A 72 11.621 -11.719 -1.968 1.00 0.47 C ATOM 1143 CD1 LEU A 72 11.720 -11.148 -0.562 1.00 0.45 C ATOM 1144 CD2 LEU A 72 13.000 -12.085 -2.496 1.00 0.55 C ATOM 0 H LEU A 72 10.081 -11.503 -3.939 1.00 0.40 H new ATOM 0 HA LEU A 72 8.816 -13.550 -2.836 1.00 0.42 H new ATOM 0 HB2 LEU A 72 10.698 -13.389 -0.993 1.00 0.47 H new ATOM 0 HB3 LEU A 72 11.116 -13.680 -2.670 1.00 0.47 H new ATOM 0 HG LEU A 72 11.196 -10.955 -2.619 1.00 0.47 H new ATOM 0 HD11 LEU A 72 12.379 -10.280 -0.567 1.00 0.45 H new ATOM 0 HD12 LEU A 72 10.729 -10.849 -0.220 1.00 0.45 H new ATOM 0 HD13 LEU A 72 12.123 -11.905 0.111 1.00 0.45 H new ATOM 0 HD21 LEU A 72 13.643 -11.205 -2.476 1.00 0.55 H new ATOM 0 HD22 LEU A 72 13.434 -12.865 -1.870 1.00 0.55 H new ATOM 0 HD23 LEU A 72 12.913 -12.448 -3.520 1.00 0.55 H new ATOM 1156 N SER A 73 8.591 -11.045 -0.700 1.00 0.36 N ATOM 1157 CA SER A 73 7.864 -10.575 0.474 1.00 0.34 C ATOM 1158 C SER A 73 7.272 -9.188 0.241 1.00 0.30 C ATOM 1159 O SER A 73 7.474 -8.583 -0.811 1.00 0.32 O ATOM 1160 CB SER A 73 8.787 -10.548 1.693 1.00 0.40 C ATOM 1161 OG SER A 73 8.128 -9.999 2.821 1.00 0.43 O ATOM 0 H SER A 73 9.215 -10.354 -1.116 1.00 0.36 H new ATOM 0 HA SER A 73 7.044 -11.269 0.658 1.00 0.34 H new ATOM 0 HB2 SER A 73 9.123 -11.560 1.921 1.00 0.40 H new ATOM 0 HB3 SER A 73 9.677 -9.960 1.466 1.00 0.40 H new ATOM 0 HG SER A 73 8.739 -9.995 3.587 1.00 0.43 H new ATOM 1167 N LEU A 74 6.538 -8.694 1.234 1.00 0.35 N ATOM 1168 CA LEU A 74 5.912 -7.380 1.148 1.00 0.35 C ATOM 1169 C LEU A 74 6.955 -6.267 1.196 1.00 0.35 C ATOM 1170 O LEU A 74 7.081 -5.483 0.255 1.00 0.32 O ATOM 1171 CB LEU A 74 4.904 -7.198 2.285 1.00 0.43 C ATOM 1172 CG LEU A 74 3.607 -6.489 1.894 1.00 0.60 C ATOM 1173 CD1 LEU A 74 3.859 -5.496 0.770 1.00 1.53 C ATOM 1174 CD2 LEU A 74 2.549 -7.503 1.484 1.00 0.97 C ATOM 0 H LEU A 74 6.362 -9.186 2.110 1.00 0.35 H new ATOM 0 HA LEU A 74 5.391 -7.319 0.192 1.00 0.35 H new ATOM 0 HB2 LEU A 74 4.656 -8.179 2.690 1.00 0.43 H new ATOM 0 HB3 LEU A 74 5.381 -6.634 3.086 1.00 0.43 H new ATOM 0 HG LEU A 74 3.240 -5.940 2.761 1.00 0.60 H new ATOM 0 HD11 LEU A 74 2.925 -5.001 0.505 1.00 1.53 H new ATOM 0 HD12 LEU A 74 4.584 -4.751 1.098 1.00 1.53 H new ATOM 0 HD13 LEU A 74 4.250 -6.023 -0.100 1.00 1.53 H new ATOM 0 HD21 LEU A 74 1.632 -6.981 1.209 1.00 0.97 H new ATOM 0 HD22 LEU A 74 2.908 -8.079 0.631 1.00 0.97 H new ATOM 0 HD23 LEU A 74 2.347 -8.176 2.318 1.00 0.97 H new ATOM 1186 N PRO A 75 7.720 -6.183 2.297 1.00 0.42 N ATOM 1187 CA PRO A 75 8.755 -5.164 2.469 1.00 0.47 C ATOM 1188 C PRO A 75 9.600 -4.983 1.214 1.00 0.43 C ATOM 1189 O PRO A 75 9.984 -3.865 0.869 1.00 0.47 O ATOM 1190 CB PRO A 75 9.614 -5.700 3.627 1.00 0.58 C ATOM 1191 CG PRO A 75 9.056 -7.047 3.972 1.00 0.49 C ATOM 1192 CD PRO A 75 7.644 -7.067 3.460 1.00 0.50 C ATOM 0 HA PRO A 75 8.325 -4.182 2.669 1.00 0.47 H new ATOM 0 HB2 PRO A 75 10.661 -5.776 3.333 1.00 0.58 H new ATOM 0 HB3 PRO A 75 9.572 -5.030 4.486 1.00 0.58 H new ATOM 0 HG2 PRO A 75 9.646 -7.840 3.514 1.00 0.49 H new ATOM 0 HG3 PRO A 75 9.081 -7.213 5.049 1.00 0.49 H new ATOM 0 HD2 PRO A 75 7.325 -8.073 3.186 1.00 0.50 H new ATOM 0 HD3 PRO A 75 6.937 -6.700 4.204 1.00 0.50 H new ATOM 1200 N GLU A 76 9.881 -6.087 0.530 1.00 0.40 N ATOM 1201 CA GLU A 76 10.676 -6.045 -0.691 1.00 0.41 C ATOM 1202 C GLU A 76 9.829 -5.568 -1.866 1.00 0.38 C ATOM 1203 O GLU A 76 10.290 -4.790 -2.703 1.00 0.44 O ATOM 1204 CB GLU A 76 11.260 -7.426 -0.994 1.00 0.44 C ATOM 1205 CG GLU A 76 12.040 -8.024 0.166 1.00 0.51 C ATOM 1206 CD GLU A 76 12.847 -6.986 0.922 1.00 0.63 C ATOM 1207 OE1 GLU A 76 12.246 -6.222 1.705 1.00 1.18 O ATOM 1208 OE2 GLU A 76 14.080 -6.937 0.729 1.00 1.30 O ATOM 0 H GLU A 76 9.570 -7.020 0.800 1.00 0.40 H new ATOM 0 HA GLU A 76 11.494 -5.341 -0.542 1.00 0.41 H new ATOM 0 HB2 GLU A 76 10.449 -8.103 -1.263 1.00 0.44 H new ATOM 0 HB3 GLU A 76 11.915 -7.352 -1.862 1.00 0.44 H new ATOM 0 HG2 GLU A 76 11.347 -8.511 0.852 1.00 0.51 H new ATOM 0 HG3 GLU A 76 12.710 -8.796 -0.211 1.00 0.51 H new ATOM 1215 N LEU A 77 8.586 -6.036 -1.919 1.00 0.33 N ATOM 1216 CA LEU A 77 7.670 -5.655 -2.987 1.00 0.34 C ATOM 1217 C LEU A 77 7.542 -4.138 -3.072 1.00 0.35 C ATOM 1218 O LEU A 77 7.529 -3.565 -4.162 1.00 0.50 O ATOM 1219 CB LEU A 77 6.293 -6.281 -2.753 1.00 0.35 C ATOM 1220 CG LEU A 77 5.170 -5.718 -3.624 1.00 0.39 C ATOM 1221 CD1 LEU A 77 4.641 -4.418 -3.038 1.00 1.16 C ATOM 1222 CD2 LEU A 77 5.658 -5.502 -5.049 1.00 1.02 C ATOM 0 H LEU A 77 8.190 -6.680 -1.234 1.00 0.33 H new ATOM 0 HA LEU A 77 8.074 -6.024 -3.930 1.00 0.34 H new ATOM 0 HB2 LEU A 77 6.364 -7.355 -2.928 1.00 0.35 H new ATOM 0 HB3 LEU A 77 6.022 -6.146 -1.706 1.00 0.35 H new ATOM 0 HG LEU A 77 4.355 -6.442 -3.645 1.00 0.39 H new ATOM 0 HD11 LEU A 77 3.842 -4.032 -3.671 1.00 1.16 H new ATOM 0 HD12 LEU A 77 4.253 -4.602 -2.036 1.00 1.16 H new ATOM 0 HD13 LEU A 77 5.448 -3.687 -2.986 1.00 1.16 H new ATOM 0 HD21 LEU A 77 4.846 -5.101 -5.655 1.00 1.02 H new ATOM 0 HD22 LEU A 77 6.490 -4.798 -5.046 1.00 1.02 H new ATOM 0 HD23 LEU A 77 5.988 -6.452 -5.468 1.00 1.02 H new ATOM 1234 N VAL A 78 7.448 -3.494 -1.914 1.00 0.29 N ATOM 1235 CA VAL A 78 7.322 -2.044 -1.853 1.00 0.33 C ATOM 1236 C VAL A 78 8.578 -1.360 -2.381 1.00 0.34 C ATOM 1237 O VAL A 78 8.502 -0.465 -3.222 1.00 0.38 O ATOM 1238 CB VAL A 78 7.058 -1.563 -0.414 1.00 0.40 C ATOM 1239 CG1 VAL A 78 6.934 -0.049 -0.370 1.00 0.68 C ATOM 1240 CG2 VAL A 78 5.809 -2.224 0.149 1.00 0.53 C ATOM 0 H VAL A 78 7.457 -3.955 -1.004 1.00 0.29 H new ATOM 0 HA VAL A 78 6.473 -1.775 -2.481 1.00 0.33 H new ATOM 0 HB VAL A 78 7.906 -1.852 0.207 1.00 0.40 H new ATOM 0 HG11 VAL A 78 6.748 0.271 0.655 1.00 0.68 H new ATOM 0 HG12 VAL A 78 7.859 0.402 -0.729 1.00 0.68 H new ATOM 0 HG13 VAL A 78 6.106 0.267 -1.005 1.00 0.68 H new ATOM 0 HG21 VAL A 78 5.638 -1.872 1.166 1.00 0.53 H new ATOM 0 HG22 VAL A 78 4.951 -1.968 -0.472 1.00 0.53 H new ATOM 0 HG23 VAL A 78 5.942 -3.306 0.157 1.00 0.53 H new ATOM 1250 N ASN A 79 9.733 -1.789 -1.883 1.00 0.34 N ATOM 1251 CA ASN A 79 11.006 -1.219 -2.307 1.00 0.37 C ATOM 1252 C ASN A 79 10.982 -0.889 -3.796 1.00 0.37 C ATOM 1253 O ASN A 79 11.409 0.188 -4.210 1.00 0.44 O ATOM 1254 CB ASN A 79 12.150 -2.188 -2.005 1.00 0.41 C ATOM 1255 CG ASN A 79 13.419 -1.472 -1.586 1.00 0.63 C ATOM 1256 OD1 ASN A 79 13.386 -0.307 -1.189 1.00 1.16 O ATOM 1257 ND2 ASN A 79 14.547 -2.168 -1.672 1.00 1.47 N ATOM 0 H ASN A 79 9.813 -2.529 -1.186 1.00 0.34 H new ATOM 0 HA ASN A 79 11.167 -0.296 -1.750 1.00 0.37 H new ATOM 0 HB2 ASN A 79 11.844 -2.872 -1.213 1.00 0.41 H new ATOM 0 HB3 ASN A 79 12.353 -2.793 -2.889 1.00 0.41 H new ATOM 0 HD21 ASN A 79 15.433 -1.739 -1.403 1.00 1.47 H new ATOM 0 HD22 ASN A 79 14.528 -3.131 -2.007 1.00 1.47 H new ATOM 1264 N TYR A 80 10.480 -1.825 -4.595 1.00 0.35 N ATOM 1265 CA TYR A 80 10.399 -1.634 -6.038 1.00 0.37 C ATOM 1266 C TYR A 80 9.334 -0.600 -6.391 1.00 0.34 C ATOM 1267 O TYR A 80 9.502 0.185 -7.325 1.00 0.34 O ATOM 1268 CB TYR A 80 10.088 -2.961 -6.733 1.00 0.46 C ATOM 1269 CG TYR A 80 9.738 -2.812 -8.196 1.00 0.65 C ATOM 1270 CD1 TYR A 80 8.434 -2.546 -8.594 1.00 0.73 C ATOM 1271 CD2 TYR A 80 10.712 -2.937 -9.179 1.00 1.38 C ATOM 1272 CE1 TYR A 80 8.110 -2.410 -9.931 1.00 1.12 C ATOM 1273 CE2 TYR A 80 10.395 -2.802 -10.518 1.00 1.89 C ATOM 1274 CZ TYR A 80 9.094 -2.539 -10.888 1.00 1.68 C ATOM 1275 OH TYR A 80 8.775 -2.403 -12.220 1.00 2.22 O ATOM 0 H TYR A 80 10.123 -2.723 -4.268 1.00 0.35 H new ATOM 0 HA TYR A 80 11.365 -1.268 -6.385 1.00 0.37 H new ATOM 0 HB2 TYR A 80 10.951 -3.621 -6.640 1.00 0.46 H new ATOM 0 HB3 TYR A 80 9.259 -3.446 -6.217 1.00 0.46 H new ATOM 0 HD1 TYR A 80 7.661 -2.444 -7.847 1.00 0.73 H new ATOM 0 HD2 TYR A 80 11.733 -3.143 -8.893 1.00 1.38 H new ATOM 0 HE1 TYR A 80 7.091 -2.204 -10.224 1.00 1.12 H new ATOM 0 HE2 TYR A 80 11.163 -2.902 -11.270 1.00 1.89 H new ATOM 0 HH TYR A 80 9.558 -2.080 -12.713 1.00 2.22 H new ATOM 1285 N HIS A 81 8.239 -0.604 -5.638 1.00 0.35 N ATOM 1286 CA HIS A 81 7.147 0.334 -5.871 1.00 0.36 C ATOM 1287 C HIS A 81 7.629 1.775 -5.739 1.00 0.36 C ATOM 1288 O HIS A 81 7.201 2.653 -6.487 1.00 0.40 O ATOM 1289 CB HIS A 81 6.006 0.074 -4.886 1.00 0.40 C ATOM 1290 CG HIS A 81 4.843 -0.647 -5.494 1.00 0.32 C ATOM 1291 ND1 HIS A 81 4.485 -0.516 -6.819 1.00 1.00 N ATOM 1292 CD2 HIS A 81 3.955 -1.513 -4.950 1.00 0.94 C ATOM 1293 CE1 HIS A 81 3.427 -1.269 -7.064 1.00 0.92 C ATOM 1294 NE2 HIS A 81 3.087 -1.884 -5.947 1.00 0.83 N ATOM 0 H HIS A 81 8.084 -1.247 -4.861 1.00 0.35 H new ATOM 0 HA HIS A 81 6.783 0.184 -6.887 1.00 0.36 H new ATOM 0 HB2 HIS A 81 6.387 -0.509 -4.048 1.00 0.40 H new ATOM 0 HB3 HIS A 81 5.662 1.026 -4.482 1.00 0.40 H new ATOM 0 HD1 HIS A 81 4.962 0.071 -7.503 1.00 1.00 H new ATOM 0 HD2 HIS A 81 3.934 -1.849 -3.924 1.00 0.94 H new ATOM 0 HE1 HIS A 81 2.926 -1.365 -8.016 1.00 0.92 H new ATOM 1303 N ARG A 82 8.523 2.010 -4.785 1.00 0.35 N ATOM 1304 CA ARG A 82 9.063 3.345 -4.557 1.00 0.38 C ATOM 1305 C ARG A 82 9.889 3.808 -5.752 1.00 0.44 C ATOM 1306 O ARG A 82 9.727 4.927 -6.236 1.00 0.50 O ATOM 1307 CB ARG A 82 9.920 3.363 -3.290 1.00 0.39 C ATOM 1308 CG ARG A 82 10.734 4.636 -3.125 1.00 0.62 C ATOM 1309 CD ARG A 82 11.582 4.595 -1.863 1.00 0.97 C ATOM 1310 NE ARG A 82 13.009 4.524 -2.164 1.00 1.55 N ATOM 1311 CZ ARG A 82 13.962 4.778 -1.274 1.00 2.18 C ATOM 1312 NH1 ARG A 82 13.640 5.117 -0.033 1.00 2.68 N ATOM 1313 NH2 ARG A 82 15.238 4.692 -1.623 1.00 2.80 N ATOM 0 H ARG A 82 8.889 1.294 -4.158 1.00 0.35 H new ATOM 0 HA ARG A 82 8.226 4.032 -4.429 1.00 0.38 H new ATOM 0 HB2 ARG A 82 9.273 3.240 -2.422 1.00 0.39 H new ATOM 0 HB3 ARG A 82 10.596 2.508 -3.307 1.00 0.39 H new ATOM 0 HG2 ARG A 82 11.378 4.772 -3.993 1.00 0.62 H new ATOM 0 HG3 ARG A 82 10.064 5.495 -3.087 1.00 0.62 H new ATOM 0 HD2 ARG A 82 11.382 5.483 -1.263 1.00 0.97 H new ATOM 0 HD3 ARG A 82 11.295 3.732 -1.262 1.00 0.97 H new ATOM 0 HE ARG A 82 13.290 4.265 -3.110 1.00 1.55 H new ATOM 0 HH11 ARG A 82 12.659 5.183 0.239 1.00 2.68 H new ATOM 0 HH12 ARG A 82 14.373 5.312 0.649 1.00 2.68 H new ATOM 0 HH21 ARG A 82 15.489 4.430 -2.576 1.00 2.80 H new ATOM 0 HH22 ARG A 82 15.968 4.887 -0.938 1.00 2.80 H new ATOM 1327 N ALA A 83 10.775 2.937 -6.221 1.00 0.49 N ATOM 1328 CA ALA A 83 11.629 3.253 -7.359 1.00 0.57 C ATOM 1329 C ALA A 83 10.815 3.334 -8.646 1.00 0.59 C ATOM 1330 O ALA A 83 10.830 4.351 -9.339 1.00 0.63 O ATOM 1331 CB ALA A 83 12.733 2.216 -7.495 1.00 0.63 C ATOM 0 H ALA A 83 10.921 2.006 -5.830 1.00 0.49 H new ATOM 0 HA ALA A 83 12.083 4.228 -7.183 1.00 0.57 H new ATOM 0 HB1 ALA A 83 13.363 2.465 -8.349 1.00 0.63 H new ATOM 0 HB2 ALA A 83 13.338 2.207 -6.588 1.00 0.63 H new ATOM 0 HB3 ALA A 83 12.291 1.231 -7.645 1.00 0.63 H new ATOM 1337 N GLN A 84 10.106 2.255 -8.959 1.00 0.57 N ATOM 1338 CA GLN A 84 9.284 2.202 -10.162 1.00 0.61 C ATOM 1339 C GLN A 84 7.839 2.575 -9.852 1.00 0.54 C ATOM 1340 O GLN A 84 7.233 2.035 -8.927 1.00 0.52 O ATOM 1341 CB GLN A 84 9.340 0.804 -10.781 1.00 0.67 C ATOM 1342 CG GLN A 84 9.356 0.812 -12.301 1.00 0.94 C ATOM 1343 CD GLN A 84 10.518 0.027 -12.876 1.00 1.52 C ATOM 1344 OE1 GLN A 84 10.350 -1.098 -13.348 1.00 2.25 O ATOM 1345 NE2 GLN A 84 11.708 0.617 -12.838 1.00 2.21 N ATOM 0 H GLN A 84 10.084 1.405 -8.396 1.00 0.57 H new ATOM 0 HA GLN A 84 9.681 2.925 -10.875 1.00 0.61 H new ATOM 0 HB2 GLN A 84 10.231 0.291 -10.419 1.00 0.67 H new ATOM 0 HB3 GLN A 84 8.480 0.229 -10.438 1.00 0.67 H new ATOM 0 HG2 GLN A 84 8.421 0.394 -12.673 1.00 0.94 H new ATOM 0 HG3 GLN A 84 9.408 1.842 -12.655 1.00 0.94 H new ATOM 0 HE21 GLN A 84 11.802 1.550 -12.438 1.00 2.21 H new ATOM 0 HE22 GLN A 84 12.528 0.136 -13.209 1.00 2.21 H new ATOM 1354 N SER A 85 7.291 3.501 -10.632 1.00 0.55 N ATOM 1355 CA SER A 85 5.915 3.946 -10.440 1.00 0.51 C ATOM 1356 C SER A 85 4.963 3.178 -11.351 1.00 0.56 C ATOM 1357 O SER A 85 3.802 3.554 -11.511 1.00 0.66 O ATOM 1358 CB SER A 85 5.799 5.447 -10.711 1.00 0.56 C ATOM 1359 OG SER A 85 7.025 5.976 -11.186 1.00 0.79 O ATOM 0 H SER A 85 7.778 3.958 -11.403 1.00 0.55 H new ATOM 0 HA SER A 85 5.637 3.749 -9.405 1.00 0.51 H new ATOM 0 HB2 SER A 85 5.013 5.628 -11.444 1.00 0.56 H new ATOM 0 HB3 SER A 85 5.507 5.963 -9.797 1.00 0.56 H new ATOM 0 HG SER A 85 6.924 6.936 -11.353 1.00 0.79 H new ATOM 1365 N LEU A 86 5.462 2.100 -11.948 1.00 0.65 N ATOM 1366 CA LEU A 86 4.656 1.279 -12.844 1.00 0.78 C ATOM 1367 C LEU A 86 3.239 1.114 -12.303 1.00 0.86 C ATOM 1368 O LEU A 86 2.351 1.909 -12.609 1.00 1.76 O ATOM 1369 CB LEU A 86 5.305 -0.093 -13.035 1.00 0.87 C ATOM 1370 CG LEU A 86 4.475 -1.095 -13.838 1.00 0.87 C ATOM 1371 CD1 LEU A 86 5.129 -1.373 -15.183 1.00 1.41 C ATOM 1372 CD2 LEU A 86 4.294 -2.387 -13.054 1.00 1.50 C ATOM 0 H LEU A 86 6.421 1.775 -11.827 1.00 0.65 H new ATOM 0 HA LEU A 86 4.601 1.784 -13.808 1.00 0.78 H new ATOM 0 HB2 LEU A 86 6.265 0.042 -13.533 1.00 0.87 H new ATOM 0 HB3 LEU A 86 5.512 -0.520 -12.054 1.00 0.87 H new ATOM 0 HG LEU A 86 3.491 -0.662 -14.018 1.00 0.87 H new ATOM 0 HD11 LEU A 86 4.524 -2.088 -15.741 1.00 1.41 H new ATOM 0 HD12 LEU A 86 5.207 -0.445 -15.749 1.00 1.41 H new ATOM 0 HD13 LEU A 86 6.125 -1.786 -15.025 1.00 1.41 H new ATOM 0 HD21 LEU A 86 3.701 -3.089 -13.641 1.00 1.50 H new ATOM 0 HD22 LEU A 86 5.270 -2.824 -12.843 1.00 1.50 H new ATOM 0 HD23 LEU A 86 3.781 -2.175 -12.116 1.00 1.50 H new ATOM 1384 N SER A 87 3.036 0.076 -11.499 1.00 1.02 N ATOM 1385 CA SER A 87 1.727 -0.194 -10.916 1.00 1.24 C ATOM 1386 C SER A 87 1.463 0.721 -9.725 1.00 1.06 C ATOM 1387 O SER A 87 1.127 0.257 -8.635 1.00 1.30 O ATOM 1388 CB SER A 87 1.631 -1.657 -10.481 1.00 1.59 C ATOM 1389 OG SER A 87 0.434 -2.253 -10.951 1.00 2.33 O ATOM 0 H SER A 87 3.761 -0.592 -11.236 1.00 1.02 H new ATOM 0 HA SER A 87 0.971 0.002 -11.676 1.00 1.24 H new ATOM 0 HB2 SER A 87 2.490 -2.210 -10.862 1.00 1.59 H new ATOM 0 HB3 SER A 87 1.669 -1.719 -9.393 1.00 1.59 H new ATOM 0 HG SER A 87 0.652 -2.992 -11.556 1.00 2.33 H new ATOM 1395 N HIS A 88 1.616 2.024 -9.940 1.00 0.73 N ATOM 1396 CA HIS A 88 1.393 3.004 -8.884 1.00 0.61 C ATOM 1397 C HIS A 88 1.317 4.415 -9.458 1.00 0.53 C ATOM 1398 O HIS A 88 2.226 4.861 -10.158 1.00 0.88 O ATOM 1399 CB HIS A 88 2.511 2.925 -7.842 1.00 0.63 C ATOM 1400 CG HIS A 88 2.017 2.659 -6.453 1.00 0.82 C ATOM 1401 ND1 HIS A 88 1.793 1.389 -5.964 1.00 1.46 N ATOM 1402 CD2 HIS A 88 1.702 3.509 -5.446 1.00 0.87 C ATOM 1403 CE1 HIS A 88 1.362 1.469 -4.718 1.00 1.63 C ATOM 1404 NE2 HIS A 88 1.299 2.744 -4.380 1.00 1.17 N ATOM 0 H HIS A 88 1.893 2.425 -10.836 1.00 0.73 H new ATOM 0 HA HIS A 88 0.441 2.774 -8.405 1.00 0.61 H new ATOM 0 HB2 HIS A 88 3.208 2.137 -8.128 1.00 0.63 H new ATOM 0 HB3 HIS A 88 3.069 3.862 -7.847 1.00 0.63 H new ATOM 0 HD2 HIS A 88 1.758 4.587 -5.476 1.00 0.87 H new ATOM 0 HE1 HIS A 88 1.105 0.634 -4.084 1.00 1.63 H new ATOM 0 HE2 HIS A 88 0.999 3.102 -3.473 1.00 1.17 H new ATOM 1413 N GLY A 89 0.226 5.112 -9.158 1.00 0.63 N ATOM 1414 CA GLY A 89 0.052 6.465 -9.653 1.00 0.69 C ATOM 1415 C GLY A 89 1.044 7.437 -9.047 1.00 0.83 C ATOM 1416 O GLY A 89 1.108 8.600 -9.446 1.00 1.70 O ATOM 0 H GLY A 89 -0.540 4.764 -8.581 1.00 0.63 H new ATOM 0 HA2 GLY A 89 0.161 6.468 -10.738 1.00 0.69 H new ATOM 0 HA3 GLY A 89 -0.961 6.801 -9.434 1.00 0.69 H new ATOM 1420 N LEU A 90 1.821 6.961 -8.079 1.00 0.58 N ATOM 1421 CA LEU A 90 2.816 7.796 -7.417 1.00 0.59 C ATOM 1422 C LEU A 90 3.781 6.947 -6.596 1.00 0.68 C ATOM 1423 O LEU A 90 3.384 6.300 -5.626 1.00 1.47 O ATOM 1424 CB LEU A 90 2.130 8.824 -6.515 1.00 0.62 C ATOM 1425 CG LEU A 90 2.929 10.104 -6.267 1.00 0.60 C ATOM 1426 CD1 LEU A 90 2.119 11.326 -6.674 1.00 1.00 C ATOM 1427 CD2 LEU A 90 3.341 10.199 -4.806 1.00 1.05 C ATOM 0 H LEU A 90 1.780 6.001 -7.736 1.00 0.58 H new ATOM 0 HA LEU A 90 3.385 8.318 -8.186 1.00 0.59 H new ATOM 0 HB2 LEU A 90 1.172 9.093 -6.960 1.00 0.62 H new ATOM 0 HB3 LEU A 90 1.916 8.356 -5.554 1.00 0.62 H new ATOM 0 HG LEU A 90 3.831 10.071 -6.878 1.00 0.60 H new ATOM 0 HD11 LEU A 90 2.703 12.228 -6.490 1.00 1.00 H new ATOM 0 HD12 LEU A 90 1.873 11.263 -7.734 1.00 1.00 H new ATOM 0 HD13 LEU A 90 1.200 11.364 -6.090 1.00 1.00 H new ATOM 0 HD21 LEU A 90 3.909 11.116 -4.647 1.00 1.05 H new ATOM 0 HD22 LEU A 90 2.451 10.210 -4.177 1.00 1.05 H new ATOM 0 HD23 LEU A 90 3.959 9.340 -4.546 1.00 1.05 H new ATOM 1439 N ARG A 91 5.050 6.954 -6.991 1.00 0.53 N ATOM 1440 CA ARG A 91 6.072 6.184 -6.292 1.00 0.50 C ATOM 1441 C ARG A 91 6.003 6.429 -4.788 1.00 0.44 C ATOM 1442 O ARG A 91 6.094 7.568 -4.329 1.00 0.59 O ATOM 1443 CB ARG A 91 7.462 6.549 -6.816 1.00 0.59 C ATOM 1444 CG ARG A 91 7.867 5.772 -8.058 1.00 0.81 C ATOM 1445 CD ARG A 91 8.911 6.522 -8.868 1.00 0.93 C ATOM 1446 NE ARG A 91 8.378 7.754 -9.442 1.00 1.72 N ATOM 1447 CZ ARG A 91 9.135 8.699 -9.989 1.00 2.19 C ATOM 1448 NH1 ARG A 91 10.452 8.553 -10.036 1.00 2.77 N ATOM 1449 NH2 ARG A 91 8.576 9.792 -10.490 1.00 2.63 N ATOM 0 H ARG A 91 5.395 7.484 -7.791 1.00 0.53 H new ATOM 0 HA ARG A 91 5.887 5.126 -6.479 1.00 0.50 H new ATOM 0 HB2 ARG A 91 7.488 7.615 -7.040 1.00 0.59 H new ATOM 0 HB3 ARG A 91 8.196 6.370 -6.030 1.00 0.59 H new ATOM 0 HG2 ARG A 91 8.261 4.798 -7.767 1.00 0.81 H new ATOM 0 HG3 ARG A 91 6.988 5.588 -8.676 1.00 0.81 H new ATOM 0 HD2 ARG A 91 9.763 6.758 -8.231 1.00 0.93 H new ATOM 0 HD3 ARG A 91 9.280 5.879 -9.668 1.00 0.93 H new ATOM 0 HE ARG A 91 7.368 7.897 -9.422 1.00 1.72 H new ATOM 0 HH11 ARG A 91 10.886 7.714 -9.652 1.00 2.77 H new ATOM 0 HH12 ARG A 91 11.031 9.280 -10.456 1.00 2.77 H new ATOM 0 HH21 ARG A 91 7.563 9.908 -10.456 1.00 2.63 H new ATOM 0 HH22 ARG A 91 9.159 10.516 -10.910 1.00 2.63 H new ATOM 1463 N LEU A 92 5.842 5.353 -4.025 1.00 0.37 N ATOM 1464 CA LEU A 92 5.761 5.451 -2.572 1.00 0.35 C ATOM 1465 C LEU A 92 6.855 6.362 -2.026 1.00 0.39 C ATOM 1466 O LEU A 92 7.759 6.768 -2.756 1.00 0.68 O ATOM 1467 CB LEU A 92 5.874 4.062 -1.941 1.00 0.46 C ATOM 1468 CG LEU A 92 5.087 2.962 -2.656 1.00 0.83 C ATOM 1469 CD1 LEU A 92 5.113 1.675 -1.846 1.00 1.50 C ATOM 1470 CD2 LEU A 92 3.654 3.409 -2.905 1.00 1.50 C ATOM 0 H LEU A 92 5.765 4.403 -4.389 1.00 0.37 H new ATOM 0 HA LEU A 92 4.794 5.882 -2.314 1.00 0.35 H new ATOM 0 HB2 LEU A 92 6.926 3.776 -1.913 1.00 0.46 H new ATOM 0 HB3 LEU A 92 5.532 4.120 -0.908 1.00 0.46 H new ATOM 0 HG LEU A 92 5.560 2.770 -3.619 1.00 0.83 H new ATOM 0 HD11 LEU A 92 4.548 0.904 -2.370 1.00 1.50 H new ATOM 0 HD12 LEU A 92 6.144 1.346 -1.719 1.00 1.50 H new ATOM 0 HD13 LEU A 92 4.665 1.851 -0.868 1.00 1.50 H new ATOM 0 HD21 LEU A 92 3.108 2.615 -3.414 1.00 1.50 H new ATOM 0 HD22 LEU A 92 3.171 3.628 -1.953 1.00 1.50 H new ATOM 0 HD23 LEU A 92 3.655 4.305 -3.526 1.00 1.50 H new ATOM 1482 N ALA A 93 6.767 6.681 -0.738 1.00 0.43 N ATOM 1483 CA ALA A 93 7.750 7.546 -0.097 1.00 0.51 C ATOM 1484 C ALA A 93 7.867 7.243 1.393 1.00 0.57 C ATOM 1485 O ALA A 93 8.737 6.480 1.815 1.00 0.95 O ATOM 1486 CB ALA A 93 7.385 9.007 -0.312 1.00 0.60 C ATOM 0 H ALA A 93 6.026 6.353 -0.119 1.00 0.43 H new ATOM 0 HA ALA A 93 8.719 7.351 -0.555 1.00 0.51 H new ATOM 0 HB1 ALA A 93 8.127 9.642 0.172 1.00 0.60 H new ATOM 0 HB2 ALA A 93 7.363 9.223 -1.380 1.00 0.60 H new ATOM 0 HB3 ALA A 93 6.403 9.204 0.118 1.00 0.60 H new ATOM 1492 N ALA A 94 6.988 7.847 2.186 1.00 0.50 N ATOM 1493 CA ALA A 94 6.994 7.643 3.630 1.00 0.60 C ATOM 1494 C ALA A 94 5.718 6.949 4.094 1.00 0.52 C ATOM 1495 O ALA A 94 4.798 6.729 3.308 1.00 0.51 O ATOM 1496 CB ALA A 94 7.164 8.975 4.347 1.00 0.80 C ATOM 0 H ALA A 94 6.262 8.482 1.853 1.00 0.50 H new ATOM 0 HA ALA A 94 7.836 6.997 3.878 1.00 0.60 H new ATOM 0 HB1 ALA A 94 7.167 8.810 5.424 1.00 0.80 H new ATOM 0 HB2 ALA A 94 8.107 9.432 4.047 1.00 0.80 H new ATOM 0 HB3 ALA A 94 6.340 9.638 4.084 1.00 0.80 H new ATOM 1502 N PRO A 95 5.650 6.592 5.386 1.00 0.54 N ATOM 1503 CA PRO A 95 4.481 5.918 5.961 1.00 0.49 C ATOM 1504 C PRO A 95 3.278 6.846 6.083 1.00 0.53 C ATOM 1505 O PRO A 95 3.428 8.055 6.258 1.00 0.85 O ATOM 1506 CB PRO A 95 4.966 5.488 7.347 1.00 0.51 C ATOM 1507 CG PRO A 95 6.044 6.457 7.688 1.00 0.62 C ATOM 1508 CD PRO A 95 6.708 6.818 6.387 1.00 0.70 C ATOM 0 HA PRO A 95 4.140 5.091 5.338 1.00 0.49 H new ATOM 0 HB2 PRO A 95 4.158 5.522 8.077 1.00 0.51 H new ATOM 0 HB3 PRO A 95 5.342 4.465 7.335 1.00 0.51 H new ATOM 0 HG2 PRO A 95 5.633 7.342 8.174 1.00 0.62 H new ATOM 0 HG3 PRO A 95 6.760 6.015 8.381 1.00 0.62 H new ATOM 0 HD2 PRO A 95 7.049 7.853 6.384 1.00 0.70 H new ATOM 0 HD3 PRO A 95 7.581 6.195 6.196 1.00 0.70 H new ATOM 1516 N CYS A 96 2.083 6.272 5.989 1.00 0.45 N ATOM 1517 CA CYS A 96 0.852 7.047 6.090 1.00 0.50 C ATOM 1518 C CYS A 96 0.629 7.530 7.519 1.00 0.58 C ATOM 1519 O CYS A 96 0.353 6.736 8.418 1.00 1.06 O ATOM 1520 CB CYS A 96 -0.342 6.208 5.632 1.00 0.51 C ATOM 1521 SG CYS A 96 -0.772 4.860 6.758 1.00 1.38 S ATOM 0 H CYS A 96 1.941 5.273 5.843 1.00 0.45 H new ATOM 0 HA CYS A 96 0.946 7.918 5.441 1.00 0.50 H new ATOM 0 HB2 CYS A 96 -1.208 6.860 5.516 1.00 0.51 H new ATOM 0 HB3 CYS A 96 -0.123 5.790 4.649 1.00 0.51 H new ATOM 0 HG CYS A 96 -0.446 5.188 7.973 1.00 1.38 H new ATOM 1527 N ARG A 97 0.751 8.838 7.722 1.00 0.52 N ATOM 1528 CA ARG A 97 0.563 9.428 9.042 1.00 0.59 C ATOM 1529 C ARG A 97 -0.921 9.588 9.360 1.00 0.75 C ATOM 1530 O ARG A 97 -1.759 9.618 8.459 1.00 1.18 O ATOM 1531 CB ARG A 97 1.262 10.786 9.121 1.00 0.69 C ATOM 1532 CG ARG A 97 2.779 10.687 9.163 1.00 1.08 C ATOM 1533 CD ARG A 97 3.415 12.031 9.479 1.00 1.41 C ATOM 1534 NE ARG A 97 4.056 12.038 10.791 1.00 1.94 N ATOM 1535 CZ ARG A 97 4.904 12.980 11.191 1.00 2.62 C ATOM 1536 NH1 ARG A 97 5.210 13.986 10.383 1.00 3.34 N ATOM 1537 NH2 ARG A 97 5.446 12.918 12.399 1.00 3.02 N ATOM 0 H ARG A 97 0.979 9.509 6.989 1.00 0.52 H new ATOM 0 HA ARG A 97 1.004 8.757 9.779 1.00 0.59 H new ATOM 0 HB2 ARG A 97 0.969 11.387 8.260 1.00 0.69 H new ATOM 0 HB3 ARG A 97 0.916 11.313 10.010 1.00 0.69 H new ATOM 0 HG2 ARG A 97 3.077 9.956 9.915 1.00 1.08 H new ATOM 0 HG3 ARG A 97 3.148 10.325 8.203 1.00 1.08 H new ATOM 0 HD2 ARG A 97 4.153 12.272 8.714 1.00 1.41 H new ATOM 0 HD3 ARG A 97 2.653 12.810 9.444 1.00 1.41 H new ATOM 0 HE ARG A 97 3.841 11.278 11.436 1.00 1.94 H new ATOM 0 HH11 ARG A 97 4.794 14.038 9.453 1.00 3.34 H new ATOM 0 HH12 ARG A 97 5.861 14.708 10.692 1.00 3.34 H new ATOM 0 HH21 ARG A 97 5.213 12.146 13.024 1.00 3.02 H new ATOM 0 HH22 ARG A 97 6.097 13.642 12.704 1.00 3.02 H new ATOM 1551 N LYS A 98 -1.236 9.690 10.647 1.00 1.01 N ATOM 1552 CA LYS A 98 -2.619 9.847 11.085 1.00 1.37 C ATOM 1553 C LYS A 98 -2.739 10.967 12.114 1.00 1.75 C ATOM 1554 O LYS A 98 -1.927 11.892 12.137 1.00 2.19 O ATOM 1555 CB LYS A 98 -3.140 8.536 11.678 1.00 1.55 C ATOM 1556 CG LYS A 98 -4.578 8.226 11.297 1.00 2.04 C ATOM 1557 CD LYS A 98 -5.074 6.961 11.978 1.00 2.51 C ATOM 1558 CE LYS A 98 -6.124 7.271 13.033 1.00 3.23 C ATOM 1559 NZ LYS A 98 -7.396 6.540 12.784 1.00 4.07 N ATOM 0 H LYS A 98 -0.553 9.667 11.405 1.00 1.01 H new ATOM 0 HA LYS A 98 -3.222 10.110 10.216 1.00 1.37 H new ATOM 0 HB2 LYS A 98 -2.501 7.718 11.347 1.00 1.55 H new ATOM 0 HB3 LYS A 98 -3.062 8.582 12.764 1.00 1.55 H new ATOM 0 HG2 LYS A 98 -5.218 9.064 11.574 1.00 2.04 H new ATOM 0 HG3 LYS A 98 -4.652 8.112 10.216 1.00 2.04 H new ATOM 0 HD2 LYS A 98 -5.494 6.286 11.232 1.00 2.51 H new ATOM 0 HD3 LYS A 98 -4.234 6.442 12.440 1.00 2.51 H new ATOM 0 HE2 LYS A 98 -5.739 7.004 14.017 1.00 3.23 H new ATOM 0 HE3 LYS A 98 -6.319 8.343 13.047 1.00 3.23 H new ATOM 0 HZ1 LYS A 98 -8.085 6.779 13.526 1.00 4.07 H new ATOM 0 HZ2 LYS A 98 -7.778 6.813 11.856 1.00 4.07 H new ATOM 0 HZ3 LYS A 98 -7.216 5.516 12.796 1.00 4.07 H new ATOM 1573 N HIS A 99 -3.757 10.877 12.963 1.00 2.22 N ATOM 1574 CA HIS A 99 -3.984 11.883 13.994 1.00 2.80 C ATOM 1575 C HIS A 99 -4.320 11.227 15.330 1.00 3.16 C ATOM 1576 O HIS A 99 -5.485 10.958 15.625 1.00 3.57 O ATOM 1577 CB HIS A 99 -5.114 12.826 13.577 1.00 3.69 C ATOM 1578 CG HIS A 99 -4.867 14.256 13.942 1.00 4.29 C ATOM 1579 ND1 HIS A 99 -5.535 14.899 14.963 1.00 4.80 N ATOM 1580 CD2 HIS A 99 -4.016 15.171 13.419 1.00 4.98 C ATOM 1581 CE1 HIS A 99 -5.108 16.146 15.051 1.00 5.63 C ATOM 1582 NE2 HIS A 99 -4.185 16.336 14.126 1.00 5.73 N ATOM 0 H HIS A 99 -4.438 10.118 12.958 1.00 2.22 H new ATOM 0 HA HIS A 99 -3.066 12.458 14.113 1.00 2.80 H new ATOM 0 HB2 HIS A 99 -5.256 12.754 12.499 1.00 3.69 H new ATOM 0 HB3 HIS A 99 -6.042 12.496 14.044 1.00 3.69 H new ATOM 0 HD2 HIS A 99 -3.332 15.014 12.598 1.00 4.98 H new ATOM 0 HE1 HIS A 99 -5.455 16.884 15.759 1.00 5.63 H new ATOM 0 HE2 HIS A 99 -3.680 17.207 13.963 1.00 5.73 H new ATOM 1591 N GLU A 100 -3.293 10.973 16.134 1.00 3.63 N ATOM 1592 CA GLU A 100 -3.480 10.348 17.438 1.00 4.43 C ATOM 1593 C GLU A 100 -2.149 10.211 18.170 1.00 4.78 C ATOM 1594 O GLU A 100 -1.146 9.862 17.513 1.00 5.45 O ATOM 1595 CB GLU A 100 -4.133 8.973 17.280 1.00 4.96 C ATOM 1596 CG GLU A 100 -3.553 8.152 16.139 1.00 5.57 C ATOM 1597 CD GLU A 100 -2.920 6.859 16.615 1.00 6.00 C ATOM 1598 OE1 GLU A 100 -3.126 6.495 17.792 1.00 6.35 O ATOM 1599 OE2 GLU A 100 -2.217 6.211 15.811 1.00 6.31 O ATOM 1600 OXT GLU A 100 -2.120 10.456 19.395 1.00 4.77 O ATOM 0 H GLU A 100 -2.323 11.190 15.906 1.00 3.63 H new ATOM 0 HA GLU A 100 -4.136 10.987 18.029 1.00 4.43 H new ATOM 0 HB2 GLU A 100 -4.020 8.417 18.211 1.00 4.96 H new ATOM 0 HB3 GLU A 100 -5.202 9.105 17.115 1.00 4.96 H new ATOM 0 HG2 GLU A 100 -4.342 7.924 15.423 1.00 5.57 H new ATOM 0 HG3 GLU A 100 -2.806 8.746 15.612 1.00 5.57 H new TER 1607 GLU A 100