USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 696 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 Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 161:sc= -0.128 (180deg=-0.68) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0629 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.6 K(o=-0.6,f=-4.6!) USER MOD Single : A 49 LYS NZ :NH3+ -155:sc= 1.24 (180deg=1.15) USER MOD Single : A 52 LYS NZ :NH3+ -168:sc= 1.17 (180deg=0.922) USER MOD Single : A 59 ASN : amide:sc= -0.032 X(o=-0.032,f=-0.2) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -115:sc= 0.797 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -108:sc= 1.18 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.0511 USER MOD Single : A 82 THR OG1 : rot 160:sc= -0.731 USER MOD Single : A 86 THR OG1 : rot 62:sc= 1.25 USER MOD Single : A 87 LYS NZ :NH3+ -107:sc= 1.21 (180deg=-0.827) USER MOD Single : A 88 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0438) USER MOD Single : A 100 GLN : amide:sc= 0.493 K(o=0.49,f=-0.62) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -148:sc= 1.03 (180deg=-0.859!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= -3! K(o=-3!,f=-0.47) USER MOD Single : A 113 THR OG1 : rot 86:sc= 1.21 USER MOD Single : A 115 LYS NZ :NH3+ 179:sc= 1.23 (180deg=1.16) USER MOD Single : A 118 LYS NZ :NH3+ 159:sc= -0.0464 (180deg=-0.375) USER MOD ----------------------------------------------------------------- ATOM 15 N TRP A 19 -4.799 -9.013 6.721 1.00 0.00 N ATOM 16 CA TRP A 19 -5.895 -8.075 6.626 1.00 0.00 C ATOM 17 C TRP A 19 -7.146 -8.761 6.055 1.00 0.00 C ATOM 18 O TRP A 19 -7.215 -9.104 4.876 1.00 0.00 O ATOM 19 CB TRP A 19 -5.470 -6.849 5.798 1.00 0.00 C ATOM 20 CG TRP A 19 -4.967 -7.145 4.408 1.00 0.00 C ATOM 21 CD1 TRP A 19 -4.670 -8.361 3.857 1.00 0.00 C ATOM 22 CD2 TRP A 19 -4.692 -6.177 3.398 1.00 0.00 C ATOM 23 NE1 TRP A 19 -4.250 -8.203 2.563 1.00 0.00 N ATOM 24 CE2 TRP A 19 -4.254 -6.867 2.257 1.00 0.00 C ATOM 25 CE3 TRP A 19 -4.790 -4.790 3.353 1.00 0.00 C ATOM 26 CZ2 TRP A 19 -3.906 -6.209 1.081 1.00 0.00 C ATOM 27 CZ3 TRP A 19 -4.445 -4.132 2.189 1.00 0.00 C ATOM 28 CH2 TRP A 19 -4.012 -4.844 1.062 1.00 0.00 C ATOM 0 HA TRP A 19 -6.155 -7.722 7.624 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -6.321 -6.172 5.721 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -4.689 -6.318 6.342 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -4.754 -9.309 4.368 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -3.979 -8.956 1.931 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -5.131 -4.236 4.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -3.565 -6.756 0.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -4.510 -3.055 2.146 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -3.757 -4.306 0.161 1.00 0.00 H new ATOM 39 N ASP A 20 -8.118 -8.995 6.922 1.00 0.00 N ATOM 40 CA ASP A 20 -9.356 -9.669 6.538 1.00 0.00 C ATOM 41 C ASP A 20 -10.187 -8.780 5.616 1.00 0.00 C ATOM 42 O ASP A 20 -10.005 -7.567 5.600 1.00 0.00 O ATOM 43 CB ASP A 20 -10.160 -10.035 7.793 1.00 0.00 C ATOM 44 CG ASP A 20 -11.437 -10.790 7.479 1.00 0.00 C ATOM 45 OD1 ASP A 20 -11.380 -12.029 7.337 1.00 0.00 O ATOM 46 OD2 ASP A 20 -12.503 -10.148 7.379 1.00 0.00 O ATOM 0 H ASP A 20 -8.076 -8.727 7.905 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.106 -10.582 5.998 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.539 -10.641 8.452 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -10.408 -9.124 8.338 1.00 0.00 H new ATOM 51 N ASP A 21 -11.098 -9.396 4.861 1.00 0.00 N ATOM 52 CA ASP A 21 -11.993 -8.674 3.946 1.00 0.00 C ATOM 53 C ASP A 21 -12.582 -7.440 4.610 1.00 0.00 C ATOM 54 O ASP A 21 -12.517 -6.330 4.076 1.00 0.00 O ATOM 55 CB ASP A 21 -13.139 -9.588 3.511 1.00 0.00 C ATOM 56 CG ASP A 21 -14.157 -8.882 2.634 1.00 0.00 C ATOM 57 OD1 ASP A 21 -13.923 -8.766 1.411 1.00 0.00 O ATOM 58 OD2 ASP A 21 -15.205 -8.454 3.164 1.00 0.00 O ATOM 0 H ASP A 21 -11.239 -10.406 4.864 1.00 0.00 H new ATOM 0 HA ASP A 21 -11.405 -8.365 3.082 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.731 -10.442 2.970 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.640 -9.981 4.396 1.00 0.00 H new ATOM 63 N ALA A 22 -13.147 -7.653 5.784 1.00 0.00 N ATOM 64 CA ALA A 22 -13.756 -6.587 6.555 1.00 0.00 C ATOM 65 C ALA A 22 -12.689 -5.713 7.202 1.00 0.00 C ATOM 66 O ALA A 22 -12.811 -4.490 7.250 1.00 0.00 O ATOM 67 CB ALA A 22 -14.682 -7.185 7.597 1.00 0.00 C ATOM 0 H ALA A 22 -13.196 -8.569 6.229 1.00 0.00 H new ATOM 0 HA ALA A 22 -14.340 -5.950 5.891 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -15.141 -6.385 8.178 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -15.460 -7.766 7.102 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.111 -7.834 8.261 1.00 0.00 H new ATOM 73 N ASP A 23 -11.637 -6.362 7.686 1.00 0.00 N ATOM 74 CA ASP A 23 -10.535 -5.683 8.370 1.00 0.00 C ATOM 75 C ASP A 23 -9.882 -4.621 7.485 1.00 0.00 C ATOM 76 O ASP A 23 -9.511 -3.553 7.969 1.00 0.00 O ATOM 77 CB ASP A 23 -9.488 -6.703 8.816 1.00 0.00 C ATOM 78 CG ASP A 23 -8.319 -6.063 9.535 1.00 0.00 C ATOM 79 OD1 ASP A 23 -8.390 -5.916 10.775 1.00 0.00 O ATOM 80 OD2 ASP A 23 -7.320 -5.726 8.870 1.00 0.00 O ATOM 0 H ASP A 23 -11.521 -7.373 7.617 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.951 -5.178 9.242 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.957 -7.435 9.473 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.121 -7.245 7.945 1.00 0.00 H new ATOM 85 N VAL A 24 -9.732 -4.924 6.195 1.00 0.00 N ATOM 86 CA VAL A 24 -9.184 -3.967 5.234 1.00 0.00 C ATOM 87 C VAL A 24 -9.947 -2.648 5.302 1.00 0.00 C ATOM 88 O VAL A 24 -9.352 -1.570 5.339 1.00 0.00 O ATOM 89 CB VAL A 24 -9.244 -4.509 3.787 1.00 0.00 C ATOM 90 CG1 VAL A 24 -8.727 -3.474 2.796 1.00 0.00 C ATOM 91 CG2 VAL A 24 -8.455 -5.801 3.661 1.00 0.00 C ATOM 0 H VAL A 24 -9.983 -5.826 5.791 1.00 0.00 H new ATOM 0 HA VAL A 24 -8.140 -3.807 5.502 1.00 0.00 H new ATOM 0 HB VAL A 24 -10.288 -4.718 3.552 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.780 -3.880 1.786 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.338 -2.574 2.858 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.692 -3.227 3.034 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.512 -6.163 2.635 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -7.413 -5.618 3.924 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.873 -6.550 4.334 1.00 0.00 H new ATOM 101 N LYS A 25 -11.269 -2.745 5.337 1.00 0.00 N ATOM 102 CA LYS A 25 -12.117 -1.569 5.447 1.00 0.00 C ATOM 103 C LYS A 25 -11.953 -0.926 6.819 1.00 0.00 C ATOM 104 O LYS A 25 -11.874 0.290 6.929 1.00 0.00 O ATOM 105 CB LYS A 25 -13.584 -1.934 5.202 1.00 0.00 C ATOM 106 CG LYS A 25 -13.872 -2.376 3.775 1.00 0.00 C ATOM 107 CD LYS A 25 -13.695 -1.231 2.788 1.00 0.00 C ATOM 108 CE LYS A 25 -13.944 -1.679 1.357 1.00 0.00 C ATOM 109 NZ LYS A 25 -13.889 -0.543 0.398 1.00 0.00 N ATOM 0 H LYS A 25 -11.777 -3.628 5.291 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.811 -0.852 4.685 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.870 -2.733 5.886 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.208 -1.073 5.440 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.206 -3.196 3.506 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.891 -2.759 3.710 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.381 -0.423 3.041 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.685 -0.830 2.873 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.201 -2.426 1.077 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.920 -2.160 1.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.064 -0.893 -0.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.615 0.158 0.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.949 -0.099 0.439 1.00 0.00 H new ATOM 123 N LYS A 26 -11.878 -1.759 7.853 1.00 0.00 N ATOM 124 CA LYS A 26 -11.722 -1.285 9.229 1.00 0.00 C ATOM 125 C LYS A 26 -10.459 -0.439 9.389 1.00 0.00 C ATOM 126 O LYS A 26 -10.519 0.702 9.849 1.00 0.00 O ATOM 127 CB LYS A 26 -11.667 -2.475 10.194 1.00 0.00 C ATOM 128 CG LYS A 26 -12.945 -3.299 10.230 1.00 0.00 C ATOM 129 CD LYS A 26 -14.060 -2.578 10.969 1.00 0.00 C ATOM 130 CE LYS A 26 -13.766 -2.487 12.457 1.00 0.00 C ATOM 131 NZ LYS A 26 -14.885 -1.865 13.207 1.00 0.00 N ATOM 0 H LYS A 26 -11.923 -2.774 7.765 1.00 0.00 H new ATOM 0 HA LYS A 26 -12.584 -0.661 9.464 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.837 -3.122 9.910 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.455 -2.107 11.198 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -13.266 -3.517 9.211 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.747 -4.256 10.714 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -14.183 -1.576 10.558 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -15.002 -3.104 10.814 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.576 -3.485 12.851 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.858 -1.905 12.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -14.644 -1.822 14.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -15.050 -0.903 12.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.746 -2.434 13.080 1.00 0.00 H new ATOM 145 N ARG A 27 -9.321 -1.002 8.994 1.00 0.00 N ATOM 146 CA ARG A 27 -8.036 -0.326 9.139 1.00 0.00 C ATOM 147 C ARG A 27 -7.959 0.931 8.273 1.00 0.00 C ATOM 148 O ARG A 27 -7.402 1.942 8.697 1.00 0.00 O ATOM 149 CB ARG A 27 -6.882 -1.282 8.809 1.00 0.00 C ATOM 150 CG ARG A 27 -6.453 -2.145 9.989 1.00 0.00 C ATOM 151 CD ARG A 27 -5.370 -3.141 9.596 1.00 0.00 C ATOM 152 NE ARG A 27 -4.634 -3.641 10.764 1.00 0.00 N ATOM 153 CZ ARG A 27 -4.595 -4.922 11.141 1.00 0.00 C ATOM 154 NH1 ARG A 27 -5.287 -5.835 10.485 1.00 0.00 N ATOM 155 NH2 ARG A 27 -3.870 -5.279 12.195 1.00 0.00 N ATOM 0 H ARG A 27 -9.263 -1.928 8.570 1.00 0.00 H new ATOM 0 HA ARG A 27 -7.944 -0.014 10.179 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.181 -1.930 7.985 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.027 -0.701 8.464 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.085 -1.506 10.792 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.317 -2.683 10.379 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.823 -3.979 9.067 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.674 -2.666 8.905 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.117 -2.964 11.326 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.857 -5.565 9.684 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.252 -6.811 10.780 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.345 -4.576 12.715 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.839 -6.256 12.485 1.00 0.00 H new ATOM 169 N TRP A 28 -8.520 0.865 7.070 1.00 0.00 N ATOM 170 CA TRP A 28 -8.562 2.024 6.179 1.00 0.00 C ATOM 171 C TRP A 28 -9.468 3.120 6.746 1.00 0.00 C ATOM 172 O TRP A 28 -9.052 4.268 6.911 1.00 0.00 O ATOM 173 CB TRP A 28 -9.061 1.606 4.791 1.00 0.00 C ATOM 174 CG TRP A 28 -7.972 1.246 3.817 1.00 0.00 C ATOM 175 CD1 TRP A 28 -6.730 0.747 4.099 1.00 0.00 C ATOM 176 CD2 TRP A 28 -8.044 1.348 2.388 1.00 0.00 C ATOM 177 NE1 TRP A 28 -6.021 0.556 2.933 1.00 0.00 N ATOM 178 CE2 TRP A 28 -6.811 0.911 1.872 1.00 0.00 C ATOM 179 CE3 TRP A 28 -9.033 1.770 1.498 1.00 0.00 C ATOM 180 CZ2 TRP A 28 -6.543 0.886 0.505 1.00 0.00 C ATOM 181 CZ3 TRP A 28 -8.767 1.743 0.143 1.00 0.00 C ATOM 182 CH2 TRP A 28 -7.532 1.303 -0.342 1.00 0.00 C ATOM 0 H TRP A 28 -8.952 0.024 6.688 1.00 0.00 H new ATOM 0 HA TRP A 28 -7.551 2.421 6.095 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -9.729 0.752 4.901 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -9.652 2.420 4.371 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.359 0.534 5.091 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.064 0.207 2.870 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -9.990 2.112 1.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -5.589 0.549 0.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -9.526 2.067 -0.554 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -7.355 1.292 -1.407 1.00 0.00 H new ATOM 193 N ASP A 29 -10.701 2.738 7.055 1.00 0.00 N ATOM 194 CA ASP A 29 -11.732 3.658 7.542 1.00 0.00 C ATOM 195 C ASP A 29 -11.286 4.421 8.788 1.00 0.00 C ATOM 196 O ASP A 29 -11.534 5.627 8.908 1.00 0.00 O ATOM 197 CB ASP A 29 -13.015 2.880 7.835 1.00 0.00 C ATOM 198 CG ASP A 29 -14.056 3.703 8.552 1.00 0.00 C ATOM 199 OD1 ASP A 29 -14.601 4.650 7.947 1.00 0.00 O ATOM 200 OD2 ASP A 29 -14.349 3.394 9.725 1.00 0.00 O ATOM 0 H ASP A 29 -11.021 1.773 6.975 1.00 0.00 H new ATOM 0 HA ASP A 29 -11.913 4.396 6.761 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -13.433 2.514 6.897 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -12.773 2.006 8.439 1.00 0.00 H new ATOM 205 N ALA A 30 -10.652 3.704 9.714 1.00 0.00 N ATOM 206 CA ALA A 30 -10.161 4.279 10.970 1.00 0.00 C ATOM 207 C ALA A 30 -9.437 5.610 10.753 1.00 0.00 C ATOM 208 O ALA A 30 -9.629 6.564 11.516 1.00 0.00 O ATOM 209 CB ALA A 30 -9.240 3.291 11.670 1.00 0.00 C ATOM 0 H ALA A 30 -10.463 2.706 9.617 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.029 4.480 11.598 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.880 3.727 12.602 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.787 2.373 11.886 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.392 3.064 11.024 1.00 0.00 H new ATOM 215 N PHE A 31 -8.609 5.668 9.712 1.00 0.00 N ATOM 216 CA PHE A 31 -7.819 6.861 9.418 1.00 0.00 C ATOM 217 C PHE A 31 -8.705 8.090 9.220 1.00 0.00 C ATOM 218 O PHE A 31 -8.372 9.179 9.684 1.00 0.00 O ATOM 219 CB PHE A 31 -6.954 6.651 8.174 1.00 0.00 C ATOM 220 CG PHE A 31 -5.841 5.662 8.360 1.00 0.00 C ATOM 221 CD1 PHE A 31 -4.838 5.896 9.287 1.00 0.00 C ATOM 222 CD2 PHE A 31 -5.791 4.507 7.600 1.00 0.00 C ATOM 223 CE1 PHE A 31 -3.806 4.992 9.453 1.00 0.00 C ATOM 224 CE2 PHE A 31 -4.763 3.600 7.761 1.00 0.00 C ATOM 225 CZ PHE A 31 -3.770 3.842 8.689 1.00 0.00 C ATOM 0 H PHE A 31 -8.468 4.900 9.056 1.00 0.00 H new ATOM 0 HA PHE A 31 -7.174 7.035 10.279 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.590 6.316 7.355 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.528 7.609 7.875 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.863 6.794 9.886 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.565 4.313 6.872 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.029 5.184 10.178 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.736 2.702 7.162 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.966 3.133 8.817 1.00 0.00 H new ATOM 371 N MET A 42 3.104 5.796 10.721 1.00 0.00 N ATOM 372 CA MET A 42 4.127 4.922 10.175 1.00 0.00 C ATOM 373 C MET A 42 4.983 5.705 9.204 1.00 0.00 C ATOM 374 O MET A 42 4.470 6.232 8.218 1.00 0.00 O ATOM 375 CB MET A 42 3.491 3.723 9.466 1.00 0.00 C ATOM 376 CG MET A 42 2.675 2.832 10.386 1.00 0.00 C ATOM 377 SD MET A 42 1.851 1.490 9.508 1.00 0.00 S ATOM 378 CE MET A 42 3.259 0.639 8.799 1.00 0.00 C ATOM 0 HA MET A 42 4.746 4.546 10.989 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.849 4.086 8.663 1.00 0.00 H new ATOM 0 HB3 MET A 42 4.277 3.128 9.002 1.00 0.00 H new ATOM 0 HG2 MET A 42 3.328 2.412 11.151 1.00 0.00 H new ATOM 0 HG3 MET A 42 1.928 3.436 10.901 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.969 -0.374 8.520 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.601 1.176 7.914 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.065 0.597 9.531 1.00 0.00 H new ATOM 388 N THR A 43 6.270 5.793 9.504 1.00 0.00 N ATOM 389 CA THR A 43 7.211 6.552 8.695 1.00 0.00 C ATOM 390 C THR A 43 7.177 6.100 7.233 1.00 0.00 C ATOM 391 O THR A 43 6.805 4.962 6.937 1.00 0.00 O ATOM 392 CB THR A 43 8.637 6.378 9.248 1.00 0.00 C ATOM 393 OG1 THR A 43 8.583 6.229 10.673 1.00 0.00 O ATOM 394 CG2 THR A 43 9.511 7.572 8.893 1.00 0.00 C ATOM 0 H THR A 43 6.691 5.340 10.315 1.00 0.00 H new ATOM 0 HA THR A 43 6.921 7.602 8.740 1.00 0.00 H new ATOM 0 HB THR A 43 9.074 5.487 8.798 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.491 6.116 11.025 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.513 7.422 9.296 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.567 7.672 7.809 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.080 8.478 9.319 1.00 0.00 H new ATOM 402 N GLY A 44 7.560 6.996 6.325 1.00 0.00 N ATOM 403 CA GLY A 44 7.630 6.657 4.913 1.00 0.00 C ATOM 404 C GLY A 44 8.431 5.395 4.669 1.00 0.00 C ATOM 405 O GLY A 44 8.089 4.597 3.804 1.00 0.00 O ATOM 0 H GLY A 44 7.824 7.956 6.545 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.621 6.527 4.521 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.081 7.484 4.364 1.00 0.00 H new ATOM 409 N LYS A 45 9.487 5.216 5.456 1.00 0.00 N ATOM 410 CA LYS A 45 10.309 4.010 5.406 1.00 0.00 C ATOM 411 C LYS A 45 9.467 2.765 5.698 1.00 0.00 C ATOM 412 O LYS A 45 9.634 1.720 5.066 1.00 0.00 O ATOM 413 CB LYS A 45 11.441 4.122 6.435 1.00 0.00 C ATOM 414 CG LYS A 45 12.273 2.855 6.589 1.00 0.00 C ATOM 415 CD LYS A 45 13.154 2.912 7.831 1.00 0.00 C ATOM 416 CE LYS A 45 12.320 3.139 9.083 1.00 0.00 C ATOM 417 NZ LYS A 45 13.134 3.103 10.326 1.00 0.00 N ATOM 0 H LYS A 45 9.797 5.901 6.145 1.00 0.00 H new ATOM 0 HA LYS A 45 10.728 3.914 4.404 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.099 4.942 6.147 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.012 4.382 7.403 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.612 1.990 6.650 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.897 2.718 5.705 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.714 1.982 7.927 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.884 3.714 7.726 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.817 4.103 9.010 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.542 2.377 9.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.518 3.263 11.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.594 2.174 10.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.860 3.847 10.287 1.00 0.00 H new ATOM 431 N ASN A 46 8.552 2.896 6.650 1.00 0.00 N ATOM 432 CA ASN A 46 7.733 1.776 7.100 1.00 0.00 C ATOM 433 C ASN A 46 6.637 1.486 6.087 1.00 0.00 C ATOM 434 O ASN A 46 6.285 0.330 5.845 1.00 0.00 O ATOM 435 CB ASN A 46 7.107 2.071 8.471 1.00 0.00 C ATOM 436 CG ASN A 46 8.135 2.381 9.549 1.00 0.00 C ATOM 437 OD1 ASN A 46 9.193 2.956 9.285 1.00 0.00 O ATOM 438 ND2 ASN A 46 7.832 2.004 10.777 1.00 0.00 N ATOM 0 H ASN A 46 8.357 3.775 7.130 1.00 0.00 H new ATOM 0 HA ASN A 46 8.377 0.902 7.193 1.00 0.00 H new ATOM 0 HB2 ASN A 46 6.424 2.915 8.377 1.00 0.00 H new ATOM 0 HB3 ASN A 46 6.512 1.213 8.783 1.00 0.00 H new ATOM 0 HD21 ASN A 46 8.482 2.187 11.542 1.00 0.00 H new ATOM 0 HD22 ASN A 46 6.948 1.530 10.961 1.00 0.00 H new ATOM 445 N PHE A 47 6.105 2.543 5.488 1.00 0.00 N ATOM 446 CA PHE A 47 5.094 2.403 4.450 1.00 0.00 C ATOM 447 C PHE A 47 5.731 1.825 3.187 1.00 0.00 C ATOM 448 O PHE A 47 5.157 0.968 2.520 1.00 0.00 O ATOM 449 CB PHE A 47 4.443 3.759 4.161 1.00 0.00 C ATOM 450 CG PHE A 47 3.220 3.666 3.298 1.00 0.00 C ATOM 451 CD1 PHE A 47 2.019 3.224 3.828 1.00 0.00 C ATOM 452 CD2 PHE A 47 3.267 4.023 1.961 1.00 0.00 C ATOM 453 CE1 PHE A 47 0.888 3.136 3.040 1.00 0.00 C ATOM 454 CE2 PHE A 47 2.140 3.938 1.168 1.00 0.00 C ATOM 455 CZ PHE A 47 0.948 3.495 1.708 1.00 0.00 C ATOM 0 H PHE A 47 6.357 3.507 5.704 1.00 0.00 H new ATOM 0 HA PHE A 47 4.317 1.720 4.792 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.176 4.233 5.105 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.172 4.407 3.674 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.966 2.945 4.870 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.196 4.372 1.534 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.042 2.787 3.465 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.190 4.218 0.126 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.065 3.430 1.090 1.00 0.00 H new ATOM 465 N ASP A 48 6.936 2.295 2.890 1.00 0.00 N ATOM 466 CA ASP A 48 7.742 1.770 1.786 1.00 0.00 C ATOM 467 C ASP A 48 8.041 0.287 2.005 1.00 0.00 C ATOM 468 O ASP A 48 8.157 -0.492 1.060 1.00 0.00 O ATOM 469 CB ASP A 48 9.043 2.579 1.694 1.00 0.00 C ATOM 470 CG ASP A 48 10.031 2.038 0.685 1.00 0.00 C ATOM 471 OD1 ASP A 48 9.853 2.288 -0.524 1.00 0.00 O ATOM 472 OD2 ASP A 48 11.018 1.391 1.104 1.00 0.00 O ATOM 0 H ASP A 48 7.386 3.051 3.406 1.00 0.00 H new ATOM 0 HA ASP A 48 7.191 1.864 0.850 1.00 0.00 H new ATOM 0 HB2 ASP A 48 8.801 3.610 1.434 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.516 2.600 2.676 1.00 0.00 H new ATOM 477 N LYS A 49 8.108 -0.096 3.271 1.00 0.00 N ATOM 478 CA LYS A 49 8.376 -1.472 3.663 1.00 0.00 C ATOM 479 C LYS A 49 7.144 -2.314 3.369 1.00 0.00 C ATOM 480 O LYS A 49 7.240 -3.409 2.818 1.00 0.00 O ATOM 481 CB LYS A 49 8.729 -1.532 5.154 1.00 0.00 C ATOM 482 CG LYS A 49 9.835 -2.518 5.505 1.00 0.00 C ATOM 483 CD LYS A 49 9.318 -3.683 6.339 1.00 0.00 C ATOM 484 CE LYS A 49 8.677 -4.754 5.472 1.00 0.00 C ATOM 485 NZ LYS A 49 8.119 -5.871 6.282 1.00 0.00 N ATOM 0 H LYS A 49 7.978 0.540 4.058 1.00 0.00 H new ATOM 0 HA LYS A 49 9.222 -1.863 3.098 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.029 -0.537 5.483 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.833 -1.796 5.716 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.284 -2.900 4.588 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.621 -2.000 6.054 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.141 -4.118 6.906 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.590 -3.317 7.063 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.882 -4.308 4.874 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.418 -5.147 4.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.083 -6.735 5.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.725 -6.035 7.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.159 -5.625 6.598 1.00 0.00 H new ATOM 499 N TRP A 50 5.985 -1.776 3.745 1.00 0.00 N ATOM 500 CA TRP A 50 4.695 -2.387 3.434 1.00 0.00 C ATOM 501 C TRP A 50 4.573 -2.648 1.932 1.00 0.00 C ATOM 502 O TRP A 50 4.014 -3.659 1.512 1.00 0.00 O ATOM 503 CB TRP A 50 3.561 -1.467 3.922 1.00 0.00 C ATOM 504 CG TRP A 50 2.189 -1.847 3.433 1.00 0.00 C ATOM 505 CD1 TRP A 50 1.484 -1.241 2.429 1.00 0.00 C ATOM 506 CD2 TRP A 50 1.347 -2.900 3.930 1.00 0.00 C ATOM 507 NE1 TRP A 50 0.271 -1.861 2.261 1.00 0.00 N ATOM 508 CE2 TRP A 50 0.161 -2.879 3.169 1.00 0.00 C ATOM 509 CE3 TRP A 50 1.481 -3.861 4.937 1.00 0.00 C ATOM 510 CZ2 TRP A 50 -0.880 -3.778 3.385 1.00 0.00 C ATOM 511 CZ3 TRP A 50 0.444 -4.752 5.149 1.00 0.00 C ATOM 512 CH2 TRP A 50 -0.721 -4.705 4.376 1.00 0.00 C ATOM 0 H TRP A 50 5.914 -0.906 4.273 1.00 0.00 H new ATOM 0 HA TRP A 50 4.619 -3.346 3.947 1.00 0.00 H new ATOM 0 HB2 TRP A 50 3.556 -1.466 5.012 1.00 0.00 H new ATOM 0 HB3 TRP A 50 3.776 -0.447 3.603 1.00 0.00 H new ATOM 0 HD1 TRP A 50 1.832 -0.397 1.852 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -0.435 -1.604 1.571 1.00 0.00 H new ATOM 0 HE3 TRP A 50 2.377 -3.907 5.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -1.781 -3.744 2.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 0.536 -5.497 5.925 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.511 -5.416 4.567 1.00 0.00 H new ATOM 523 N LEU A 51 5.132 -1.751 1.127 1.00 0.00 N ATOM 524 CA LEU A 51 5.033 -1.877 -0.327 1.00 0.00 C ATOM 525 C LEU A 51 6.035 -2.886 -0.883 1.00 0.00 C ATOM 526 O LEU A 51 5.671 -3.768 -1.670 1.00 0.00 O ATOM 527 CB LEU A 51 5.229 -0.523 -1.015 1.00 0.00 C ATOM 528 CG LEU A 51 3.944 0.259 -1.312 1.00 0.00 C ATOM 529 CD1 LEU A 51 2.971 -0.590 -2.117 1.00 0.00 C ATOM 530 CD2 LEU A 51 3.293 0.742 -0.031 1.00 0.00 C ATOM 0 H LEU A 51 5.654 -0.936 1.450 1.00 0.00 H new ATOM 0 HA LEU A 51 4.028 -2.242 -0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.872 0.094 -0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.760 -0.685 -1.953 1.00 0.00 H new ATOM 0 HG LEU A 51 4.213 1.132 -1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.066 -0.016 -2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.434 -0.878 -3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.715 -1.486 -1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.384 1.294 -0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.044 -0.114 0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.983 1.395 0.504 1.00 0.00 H new ATOM 542 N LYS A 52 7.291 -2.755 -0.479 1.00 0.00 N ATOM 543 CA LYS A 52 8.359 -3.603 -1.001 1.00 0.00 C ATOM 544 C LYS A 52 8.247 -5.035 -0.507 1.00 0.00 C ATOM 545 O LYS A 52 8.581 -5.978 -1.227 1.00 0.00 O ATOM 546 CB LYS A 52 9.721 -3.025 -0.628 1.00 0.00 C ATOM 547 CG LYS A 52 10.056 -1.768 -1.403 1.00 0.00 C ATOM 548 CD LYS A 52 11.335 -1.122 -0.915 1.00 0.00 C ATOM 549 CE LYS A 52 11.641 0.126 -1.719 1.00 0.00 C ATOM 550 NZ LYS A 52 12.584 1.027 -1.013 1.00 0.00 N ATOM 0 H LYS A 52 7.598 -2.069 0.210 1.00 0.00 H new ATOM 0 HA LYS A 52 8.257 -3.623 -2.086 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.737 -2.804 0.439 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.491 -3.775 -0.810 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.154 -2.010 -2.461 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.234 -1.057 -1.313 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.241 -0.867 0.141 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.161 -1.828 -1.000 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.065 -0.159 -2.682 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.714 0.661 -1.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.609 1.949 -1.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.270 1.157 -0.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.536 0.607 -1.019 1.00 0.00 H new ATOM 564 N ASP A 53 7.776 -5.210 0.715 1.00 0.00 N ATOM 565 CA ASP A 53 7.676 -6.542 1.283 1.00 0.00 C ATOM 566 C ASP A 53 6.470 -7.271 0.711 1.00 0.00 C ATOM 567 O ASP A 53 6.461 -8.498 0.628 1.00 0.00 O ATOM 568 CB ASP A 53 7.595 -6.480 2.803 1.00 0.00 C ATOM 569 CG ASP A 53 8.244 -7.679 3.464 1.00 0.00 C ATOM 570 OD1 ASP A 53 9.096 -8.330 2.816 1.00 0.00 O ATOM 571 OD2 ASP A 53 7.939 -7.940 4.642 1.00 0.00 O ATOM 0 H ASP A 53 7.460 -4.457 1.326 1.00 0.00 H new ATOM 0 HA ASP A 53 8.576 -7.097 1.016 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.079 -5.569 3.153 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.550 -6.422 3.107 1.00 0.00 H new ATOM 576 N ALA A 54 5.471 -6.502 0.289 1.00 0.00 N ATOM 577 CA ALA A 54 4.275 -7.063 -0.325 1.00 0.00 C ATOM 578 C ALA A 54 4.577 -7.581 -1.726 1.00 0.00 C ATOM 579 O ALA A 54 3.957 -8.533 -2.197 1.00 0.00 O ATOM 580 CB ALA A 54 3.174 -6.018 -0.378 1.00 0.00 C ATOM 0 H ALA A 54 5.468 -5.485 0.362 1.00 0.00 H new ATOM 0 HA ALA A 54 3.938 -7.902 0.284 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.285 -6.449 -0.839 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.935 -5.689 0.634 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.510 -5.165 -0.967 1.00 0.00 H new ATOM 586 N GLY A 55 5.534 -6.941 -2.389 1.00 0.00 N ATOM 587 CA GLY A 55 5.916 -7.356 -3.725 1.00 0.00 C ATOM 588 C GLY A 55 5.233 -6.536 -4.799 1.00 0.00 C ATOM 589 O GLY A 55 5.376 -6.813 -5.990 1.00 0.00 O ATOM 0 H GLY A 55 6.052 -6.142 -2.024 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.997 -7.267 -3.835 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.667 -8.408 -3.861 1.00 0.00 H new ATOM 593 N VAL A 56 4.482 -5.528 -4.380 1.00 0.00 N ATOM 594 CA VAL A 56 3.798 -4.650 -5.319 1.00 0.00 C ATOM 595 C VAL A 56 4.748 -3.568 -5.802 1.00 0.00 C ATOM 596 O VAL A 56 4.899 -3.339 -7.001 1.00 0.00 O ATOM 597 CB VAL A 56 2.561 -3.987 -4.685 1.00 0.00 C ATOM 598 CG1 VAL A 56 1.796 -3.181 -5.723 1.00 0.00 C ATOM 599 CG2 VAL A 56 1.665 -5.034 -4.048 1.00 0.00 C ATOM 0 H VAL A 56 4.331 -5.298 -3.398 1.00 0.00 H new ATOM 0 HA VAL A 56 3.467 -5.263 -6.157 1.00 0.00 H new ATOM 0 HB VAL A 56 2.897 -3.304 -3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.925 -2.720 -5.256 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.443 -2.404 -6.130 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.470 -3.840 -6.528 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.796 -4.548 -3.605 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.336 -5.743 -4.808 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.219 -5.564 -3.273 1.00 0.00 H new ATOM 609 N LEU A 57 5.389 -2.909 -4.856 1.00 0.00 N ATOM 610 CA LEU A 57 6.376 -1.898 -5.169 1.00 0.00 C ATOM 611 C LEU A 57 7.750 -2.463 -4.855 1.00 0.00 C ATOM 612 O LEU A 57 8.203 -2.407 -3.721 1.00 0.00 O ATOM 613 CB LEU A 57 6.090 -0.624 -4.358 1.00 0.00 C ATOM 614 CG LEU A 57 6.839 0.651 -4.782 1.00 0.00 C ATOM 615 CD1 LEU A 57 6.116 1.881 -4.253 1.00 0.00 C ATOM 616 CD2 LEU A 57 8.271 0.649 -4.272 1.00 0.00 C ATOM 0 H LEU A 57 5.241 -3.058 -3.858 1.00 0.00 H new ATOM 0 HA LEU A 57 6.335 -1.629 -6.225 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.020 -0.422 -4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.327 -0.826 -3.313 1.00 0.00 H new ATOM 0 HG LEU A 57 6.862 0.676 -5.871 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.654 2.779 -4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.104 1.910 -4.656 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.072 1.837 -3.165 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.772 1.564 -4.589 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.269 0.595 -3.183 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.800 -0.213 -4.677 1.00 0.00 H new ATOM 628 N ASP A 58 8.379 -3.057 -5.852 1.00 0.00 N ATOM 629 CA ASP A 58 9.677 -3.693 -5.660 1.00 0.00 C ATOM 630 C ASP A 58 10.803 -2.670 -5.616 1.00 0.00 C ATOM 631 O ASP A 58 11.785 -2.860 -4.901 1.00 0.00 O ATOM 632 CB ASP A 58 9.942 -4.723 -6.765 1.00 0.00 C ATOM 633 CG ASP A 58 9.704 -4.170 -8.157 1.00 0.00 C ATOM 634 OD1 ASP A 58 10.582 -3.456 -8.683 1.00 0.00 O ATOM 635 OD2 ASP A 58 8.633 -4.445 -8.726 1.00 0.00 O ATOM 0 H ASP A 58 8.016 -3.114 -6.803 1.00 0.00 H new ATOM 0 HA ASP A 58 9.651 -4.204 -4.697 1.00 0.00 H new ATOM 0 HB2 ASP A 58 10.972 -5.072 -6.690 1.00 0.00 H new ATOM 0 HB3 ASP A 58 9.299 -5.589 -6.609 1.00 0.00 H new ATOM 640 N ASN A 59 10.653 -1.590 -6.386 1.00 0.00 N ATOM 641 CA ASN A 59 11.677 -0.541 -6.484 1.00 0.00 C ATOM 642 C ASN A 59 12.974 -1.146 -7.028 1.00 0.00 C ATOM 643 O ASN A 59 14.079 -0.666 -6.777 1.00 0.00 O ATOM 644 CB ASN A 59 11.887 0.119 -5.112 1.00 0.00 C ATOM 645 CG ASN A 59 12.607 1.454 -5.187 1.00 0.00 C ATOM 646 OD1 ASN A 59 13.824 1.533 -5.032 1.00 0.00 O ATOM 647 ND2 ASN A 59 11.852 2.519 -5.413 1.00 0.00 N ATOM 0 H ASN A 59 9.825 -1.416 -6.956 1.00 0.00 H new ATOM 0 HA ASN A 59 11.349 0.236 -7.175 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.918 0.264 -4.635 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.457 -0.557 -4.476 1.00 0.00 H new ATOM 0 HD21 ASN A 59 12.278 3.445 -5.463 1.00 0.00 H new ATOM 0 HD22 ASN A 59 10.845 2.413 -5.537 1.00 0.00 H new ATOM 654 N LYS A 60 12.797 -2.193 -7.815 1.00 0.00 N ATOM 655 CA LYS A 60 13.894 -2.982 -8.342 1.00 0.00 C ATOM 656 C LYS A 60 13.816 -3.000 -9.861 1.00 0.00 C ATOM 657 O LYS A 60 14.804 -2.773 -10.561 1.00 0.00 O ATOM 658 CB LYS A 60 13.776 -4.402 -7.791 1.00 0.00 C ATOM 659 CG LYS A 60 14.919 -5.332 -8.161 1.00 0.00 C ATOM 660 CD LYS A 60 14.663 -6.720 -7.601 1.00 0.00 C ATOM 661 CE LYS A 60 15.746 -7.714 -7.973 1.00 0.00 C ATOM 662 NZ LYS A 60 15.423 -9.070 -7.454 1.00 0.00 N ATOM 0 H LYS A 60 11.877 -2.522 -8.109 1.00 0.00 H new ATOM 0 HA LYS A 60 14.851 -2.552 -8.045 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.708 -4.349 -6.704 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.843 -4.838 -8.148 1.00 0.00 H new ATOM 0 HG2 LYS A 60 15.022 -5.382 -9.245 1.00 0.00 H new ATOM 0 HG3 LYS A 60 15.858 -4.941 -7.770 1.00 0.00 H new ATOM 0 HD2 LYS A 60 14.589 -6.660 -6.515 1.00 0.00 H new ATOM 0 HD3 LYS A 60 13.702 -7.083 -7.967 1.00 0.00 H new ATOM 0 HE2 LYS A 60 15.854 -7.751 -9.057 1.00 0.00 H new ATOM 0 HE3 LYS A 60 16.703 -7.384 -7.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 16.178 -9.733 -7.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 15.343 -9.035 -6.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 14.521 -9.391 -7.860 1.00 0.00 H new ATOM 676 N ALA A 61 12.621 -3.286 -10.349 1.00 0.00 N ATOM 677 CA ALA A 61 12.337 -3.286 -11.778 1.00 0.00 C ATOM 678 C ALA A 61 11.207 -2.317 -12.097 1.00 0.00 C ATOM 679 O ALA A 61 11.029 -1.904 -13.245 1.00 0.00 O ATOM 680 CB ALA A 61 11.962 -4.684 -12.236 1.00 0.00 C ATOM 0 H ALA A 61 11.818 -3.525 -9.767 1.00 0.00 H new ATOM 0 HA ALA A 61 13.234 -2.965 -12.308 1.00 0.00 H new ATOM 0 HB1 ALA A 61 11.752 -4.672 -13.305 1.00 0.00 H new ATOM 0 HB2 ALA A 61 12.788 -5.366 -12.036 1.00 0.00 H new ATOM 0 HB3 ALA A 61 11.076 -5.019 -11.696 1.00 0.00 H new ATOM 686 N ILE A 62 10.434 -1.976 -11.070 1.00 0.00 N ATOM 687 CA ILE A 62 9.314 -1.055 -11.210 1.00 0.00 C ATOM 688 C ILE A 62 9.814 0.343 -11.596 1.00 0.00 C ATOM 689 O ILE A 62 11.006 0.634 -11.476 1.00 0.00 O ATOM 690 CB ILE A 62 8.502 -0.985 -9.893 1.00 0.00 C ATOM 691 CG1 ILE A 62 7.101 -0.446 -10.157 1.00 0.00 C ATOM 692 CG2 ILE A 62 9.215 -0.118 -8.864 1.00 0.00 C ATOM 693 CD1 ILE A 62 6.205 -0.438 -8.936 1.00 0.00 C ATOM 0 H ILE A 62 10.566 -2.329 -10.122 1.00 0.00 H new ATOM 0 HA ILE A 62 8.663 -1.425 -12.002 1.00 0.00 H new ATOM 0 HB ILE A 62 8.418 -1.995 -9.493 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.180 0.570 -10.544 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.632 -1.048 -10.936 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.627 -0.083 -7.947 1.00 0.00 H new ATOM 0 HG22 ILE A 62 10.196 -0.541 -8.649 1.00 0.00 H new ATOM 0 HG23 ILE A 62 9.333 0.891 -9.258 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.226 -0.041 -9.205 1.00 0.00 H new ATOM 0 HD12 ILE A 62 6.093 -1.455 -8.560 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.650 0.188 -8.162 1.00 0.00 H new ATOM 705 N THR A 63 8.915 1.205 -12.056 1.00 0.00 N ATOM 706 CA THR A 63 9.307 2.535 -12.496 1.00 0.00 C ATOM 707 C THR A 63 9.618 3.444 -11.313 1.00 0.00 C ATOM 708 O THR A 63 9.088 3.262 -10.217 1.00 0.00 O ATOM 709 CB THR A 63 8.213 3.208 -13.349 1.00 0.00 C ATOM 710 OG1 THR A 63 7.044 3.440 -12.554 1.00 0.00 O ATOM 711 CG2 THR A 63 7.855 2.356 -14.555 1.00 0.00 C ATOM 0 H THR A 63 7.917 1.008 -12.133 1.00 0.00 H new ATOM 0 HA THR A 63 10.202 2.398 -13.103 1.00 0.00 H new ATOM 0 HB THR A 63 8.603 4.161 -13.708 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.302 2.901 -12.899 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.081 2.856 -15.137 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.740 2.213 -15.175 1.00 0.00 H new ATOM 0 HG23 THR A 63 7.487 1.387 -14.219 1.00 0.00 H new ATOM 719 N GLY A 64 10.483 4.419 -11.538 1.00 0.00 N ATOM 720 CA GLY A 64 10.723 5.436 -10.537 1.00 0.00 C ATOM 721 C GLY A 64 9.741 6.579 -10.692 1.00 0.00 C ATOM 722 O GLY A 64 9.462 7.316 -9.745 1.00 0.00 O ATOM 0 H GLY A 64 11.024 4.525 -12.396 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.631 5.003 -9.541 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.743 5.810 -10.628 1.00 0.00 H new ATOM 726 N THR A 65 9.208 6.697 -11.904 1.00 0.00 N ATOM 727 CA THR A 65 8.245 7.731 -12.245 1.00 0.00 C ATOM 728 C THR A 65 6.978 7.605 -11.401 1.00 0.00 C ATOM 729 O THR A 65 6.616 8.523 -10.664 1.00 0.00 O ATOM 730 CB THR A 65 7.881 7.649 -13.744 1.00 0.00 C ATOM 731 OG1 THR A 65 9.081 7.645 -14.532 1.00 0.00 O ATOM 732 CG2 THR A 65 7.005 8.819 -14.161 1.00 0.00 C ATOM 0 H THR A 65 9.435 6.074 -12.679 1.00 0.00 H new ATOM 0 HA THR A 65 8.704 8.697 -12.036 1.00 0.00 H new ATOM 0 HB THR A 65 7.324 6.727 -13.909 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.848 7.591 -15.482 1.00 0.00 H new ATOM 0 HG21 THR A 65 6.765 8.734 -15.221 1.00 0.00 H new ATOM 0 HG22 THR A 65 6.084 8.810 -13.578 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.537 9.753 -13.983 1.00 0.00 H new ATOM 740 N MET A 66 6.322 6.456 -11.494 1.00 0.00 N ATOM 741 CA MET A 66 5.068 6.230 -10.784 1.00 0.00 C ATOM 742 C MET A 66 5.286 6.194 -9.279 1.00 0.00 C ATOM 743 O MET A 66 4.560 6.838 -8.527 1.00 0.00 O ATOM 744 CB MET A 66 4.407 4.925 -11.243 1.00 0.00 C ATOM 745 CG MET A 66 3.662 5.033 -12.567 1.00 0.00 C ATOM 746 SD MET A 66 4.701 5.581 -13.938 1.00 0.00 S ATOM 747 CE MET A 66 3.527 5.505 -15.288 1.00 0.00 C ATOM 0 H MET A 66 6.637 5.664 -12.055 1.00 0.00 H new ATOM 0 HA MET A 66 4.406 7.063 -11.019 1.00 0.00 H new ATOM 0 HB2 MET A 66 5.173 4.155 -11.332 1.00 0.00 H new ATOM 0 HB3 MET A 66 3.710 4.594 -10.473 1.00 0.00 H new ATOM 0 HG2 MET A 66 3.233 4.062 -12.813 1.00 0.00 H new ATOM 0 HG3 MET A 66 2.831 5.729 -12.451 1.00 0.00 H new ATOM 0 HE1 MET A 66 4.015 5.815 -16.212 1.00 0.00 H new ATOM 0 HE2 MET A 66 3.162 4.484 -15.395 1.00 0.00 H new ATOM 0 HE3 MET A 66 2.689 6.170 -15.079 1.00 0.00 H new ATOM 757 N THR A 67 6.299 5.455 -8.850 1.00 0.00 N ATOM 758 CA THR A 67 6.541 5.235 -7.432 1.00 0.00 C ATOM 759 C THR A 67 6.957 6.522 -6.712 1.00 0.00 C ATOM 760 O THR A 67 6.365 6.889 -5.693 1.00 0.00 O ATOM 761 CB THR A 67 7.616 4.149 -7.226 1.00 0.00 C ATOM 762 OG1 THR A 67 8.831 4.523 -7.890 1.00 0.00 O ATOM 763 CG2 THR A 67 7.139 2.814 -7.775 1.00 0.00 C ATOM 0 H THR A 67 6.969 4.996 -9.467 1.00 0.00 H new ATOM 0 HA THR A 67 5.600 4.899 -6.997 1.00 0.00 H new ATOM 0 HB THR A 67 7.799 4.052 -6.156 1.00 0.00 H new ATOM 0 HG1 THR A 67 8.963 3.953 -8.676 1.00 0.00 H new ATOM 0 HG21 THR A 67 7.911 2.060 -7.620 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.228 2.512 -7.257 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.935 2.911 -8.841 1.00 0.00 H new ATOM 771 N GLY A 68 7.959 7.209 -7.254 1.00 0.00 N ATOM 772 CA GLY A 68 8.480 8.408 -6.621 1.00 0.00 C ATOM 773 C GLY A 68 7.451 9.517 -6.532 1.00 0.00 C ATOM 774 O GLY A 68 7.264 10.120 -5.471 1.00 0.00 O ATOM 0 H GLY A 68 8.422 6.954 -8.126 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.830 8.162 -5.619 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.344 8.764 -7.182 1.00 0.00 H new ATOM 778 N ILE A 69 6.770 9.779 -7.642 1.00 0.00 N ATOM 779 CA ILE A 69 5.772 10.838 -7.690 1.00 0.00 C ATOM 780 C ILE A 69 4.579 10.494 -6.798 1.00 0.00 C ATOM 781 O ILE A 69 3.951 11.383 -6.224 1.00 0.00 O ATOM 782 CB ILE A 69 5.303 11.110 -9.140 1.00 0.00 C ATOM 783 CG1 ILE A 69 6.491 11.575 -9.995 1.00 0.00 C ATOM 784 CG2 ILE A 69 4.186 12.148 -9.165 1.00 0.00 C ATOM 785 CD1 ILE A 69 6.146 11.809 -11.451 1.00 0.00 C ATOM 0 H ILE A 69 6.891 9.273 -8.519 1.00 0.00 H new ATOM 0 HA ILE A 69 6.239 11.749 -7.314 1.00 0.00 H new ATOM 0 HB ILE A 69 4.908 10.183 -9.557 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.890 12.498 -9.574 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.283 10.829 -9.935 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.874 12.322 -10.195 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.338 11.784 -8.585 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.547 13.081 -8.733 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.037 12.135 -11.988 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.776 10.883 -11.891 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.377 12.578 -11.524 1.00 0.00 H new ATOM 797 N ALA A 70 4.290 9.201 -6.663 1.00 0.00 N ATOM 798 CA ALA A 70 3.221 8.746 -5.781 1.00 0.00 C ATOM 799 C ALA A 70 3.453 9.244 -4.360 1.00 0.00 C ATOM 800 O ALA A 70 2.621 9.961 -3.806 1.00 0.00 O ATOM 801 CB ALA A 70 3.113 7.229 -5.797 1.00 0.00 C ATOM 0 H ALA A 70 4.781 8.453 -7.153 1.00 0.00 H new ATOM 0 HA ALA A 70 2.282 9.160 -6.147 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.309 6.914 -5.132 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.899 6.890 -6.811 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.054 6.794 -5.460 1.00 0.00 H new ATOM 807 N PHE A 71 4.602 8.889 -3.789 1.00 0.00 N ATOM 808 CA PHE A 71 4.956 9.315 -2.435 1.00 0.00 C ATOM 809 C PHE A 71 4.999 10.837 -2.336 1.00 0.00 C ATOM 810 O PHE A 71 4.495 11.425 -1.379 1.00 0.00 O ATOM 811 CB PHE A 71 6.306 8.729 -2.011 1.00 0.00 C ATOM 812 CG PHE A 71 6.302 7.233 -1.872 1.00 0.00 C ATOM 813 CD1 PHE A 71 5.511 6.617 -0.916 1.00 0.00 C ATOM 814 CD2 PHE A 71 7.090 6.445 -2.694 1.00 0.00 C ATOM 815 CE1 PHE A 71 5.505 5.242 -0.784 1.00 0.00 C ATOM 816 CE2 PHE A 71 7.089 5.071 -2.566 1.00 0.00 C ATOM 817 CZ PHE A 71 6.296 4.468 -1.609 1.00 0.00 C ATOM 0 H PHE A 71 5.305 8.306 -4.243 1.00 0.00 H new ATOM 0 HA PHE A 71 4.185 8.941 -1.761 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.061 9.014 -2.743 1.00 0.00 H new ATOM 0 HB3 PHE A 71 6.601 9.172 -1.060 1.00 0.00 H new ATOM 0 HD1 PHE A 71 4.892 7.218 -0.267 1.00 0.00 H new ATOM 0 HD2 PHE A 71 7.712 6.911 -3.444 1.00 0.00 H new ATOM 0 HE1 PHE A 71 4.882 4.773 -0.036 1.00 0.00 H new ATOM 0 HE2 PHE A 71 7.708 4.468 -3.214 1.00 0.00 H new ATOM 0 HZ PHE A 71 6.295 3.393 -1.506 1.00 0.00 H new ATOM 827 N SER A 72 5.604 11.464 -3.337 1.00 0.00 N ATOM 828 CA SER A 72 5.737 12.915 -3.381 1.00 0.00 C ATOM 829 C SER A 72 4.369 13.603 -3.373 1.00 0.00 C ATOM 830 O SER A 72 4.244 14.746 -2.930 1.00 0.00 O ATOM 831 CB SER A 72 6.530 13.328 -4.627 1.00 0.00 C ATOM 832 OG SER A 72 6.771 14.727 -4.653 1.00 0.00 O ATOM 0 H SER A 72 6.015 10.984 -4.138 1.00 0.00 H new ATOM 0 HA SER A 72 6.274 13.233 -2.488 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.480 12.794 -4.648 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.981 13.036 -5.522 1.00 0.00 H new ATOM 0 HG SER A 72 7.280 14.956 -5.459 1.00 0.00 H new ATOM 838 N LYS A 73 3.351 12.912 -3.873 1.00 0.00 N ATOM 839 CA LYS A 73 2.019 13.489 -3.978 1.00 0.00 C ATOM 840 C LYS A 73 1.161 13.148 -2.759 1.00 0.00 C ATOM 841 O LYS A 73 0.517 14.024 -2.180 1.00 0.00 O ATOM 842 CB LYS A 73 1.333 12.993 -5.256 1.00 0.00 C ATOM 843 CG LYS A 73 0.125 13.823 -5.670 1.00 0.00 C ATOM 844 CD LYS A 73 0.507 15.278 -5.890 1.00 0.00 C ATOM 845 CE LYS A 73 1.622 15.415 -6.917 1.00 0.00 C ATOM 846 NZ LYS A 73 2.194 16.784 -6.934 1.00 0.00 N ATOM 0 H LYS A 73 3.424 11.953 -4.211 1.00 0.00 H new ATOM 0 HA LYS A 73 2.126 14.573 -4.019 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.058 12.994 -6.070 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.019 11.960 -5.110 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.304 13.415 -6.585 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.645 13.759 -4.901 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.367 15.838 -6.224 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.826 15.718 -4.945 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.410 14.695 -6.695 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.236 15.171 -7.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.950 16.836 -7.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.448 17.469 -7.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.586 17.008 -5.997 1.00 0.00 H new ATOM 860 N VAL A 74 1.155 11.874 -2.375 1.00 0.00 N ATOM 861 CA VAL A 74 0.303 11.398 -1.293 1.00 0.00 C ATOM 862 C VAL A 74 0.721 11.975 0.065 1.00 0.00 C ATOM 863 O VAL A 74 -0.061 12.665 0.709 1.00 0.00 O ATOM 864 CB VAL A 74 0.267 9.851 -1.256 1.00 0.00 C ATOM 865 CG1 VAL A 74 -0.297 9.324 -2.564 1.00 0.00 C ATOM 866 CG2 VAL A 74 1.638 9.241 -0.994 1.00 0.00 C ATOM 0 H VAL A 74 1.735 11.151 -2.801 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.706 11.757 -1.495 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.376 9.558 -0.426 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.322 8.235 -2.537 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.308 9.707 -2.705 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.333 9.652 -3.390 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.556 8.154 -0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.327 9.541 -1.784 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.014 9.590 -0.032 1.00 0.00 H new ATOM 876 N THR A 75 1.950 11.740 0.487 1.00 0.00 N ATOM 877 CA THR A 75 2.373 12.183 1.799 1.00 0.00 C ATOM 878 C THR A 75 2.935 13.594 1.744 1.00 0.00 C ATOM 879 O THR A 75 2.458 14.487 2.444 1.00 0.00 O ATOM 880 CB THR A 75 3.419 11.231 2.411 1.00 0.00 C ATOM 881 OG1 THR A 75 4.515 11.051 1.507 1.00 0.00 O ATOM 882 CG2 THR A 75 2.801 9.880 2.736 1.00 0.00 C ATOM 0 H THR A 75 2.664 11.251 -0.053 1.00 0.00 H new ATOM 0 HA THR A 75 1.489 12.177 2.436 1.00 0.00 H new ATOM 0 HB THR A 75 3.782 11.681 3.335 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.173 10.446 1.908 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.560 9.227 3.167 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.989 10.014 3.451 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.410 9.430 1.824 1.00 0.00 H new ATOM 890 N GLY A 76 3.924 13.794 0.883 1.00 0.00 N ATOM 891 CA GLY A 76 4.641 15.051 0.853 1.00 0.00 C ATOM 892 C GLY A 76 5.950 14.933 1.604 1.00 0.00 C ATOM 893 O GLY A 76 6.985 14.626 1.004 1.00 0.00 O ATOM 0 H GLY A 76 4.243 13.104 0.203 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.832 15.343 -0.180 1.00 0.00 H new ATOM 0 HA3 GLY A 76 4.029 15.836 1.298 1.00 0.00 H new ATOM 987 N THR A 82 -2.621 9.910 5.609 1.00 0.00 N ATOM 988 CA THR A 82 -3.849 9.292 6.098 1.00 0.00 C ATOM 989 C THR A 82 -4.600 8.602 4.949 1.00 0.00 C ATOM 990 O THR A 82 -4.039 8.418 3.866 1.00 0.00 O ATOM 991 CB THR A 82 -4.755 10.322 6.828 1.00 0.00 C ATOM 992 OG1 THR A 82 -5.839 9.656 7.493 1.00 0.00 O ATOM 993 CG2 THR A 82 -5.314 11.362 5.873 1.00 0.00 C ATOM 0 HA THR A 82 -3.574 8.532 6.829 1.00 0.00 H new ATOM 0 HB THR A 82 -4.131 10.832 7.562 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.201 10.239 8.193 1.00 0.00 H new ATOM 0 HG21 THR A 82 -5.942 12.062 6.424 1.00 0.00 H new ATOM 0 HG22 THR A 82 -4.493 11.903 5.403 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.910 10.868 5.105 1.00 0.00 H new ATOM 1001 N PHE A 83 -5.856 8.228 5.205 1.00 0.00 N ATOM 1002 CA PHE A 83 -6.658 7.378 4.314 1.00 0.00 C ATOM 1003 C PHE A 83 -6.557 7.758 2.836 1.00 0.00 C ATOM 1004 O PHE A 83 -6.130 6.944 2.018 1.00 0.00 O ATOM 1005 CB PHE A 83 -8.124 7.414 4.753 1.00 0.00 C ATOM 1006 CG PHE A 83 -9.057 6.652 3.850 1.00 0.00 C ATOM 1007 CD1 PHE A 83 -9.155 5.275 3.935 1.00 0.00 C ATOM 1008 CD2 PHE A 83 -9.842 7.318 2.920 1.00 0.00 C ATOM 1009 CE1 PHE A 83 -10.014 4.575 3.110 1.00 0.00 C ATOM 1010 CE2 PHE A 83 -10.700 6.622 2.092 1.00 0.00 C ATOM 1011 CZ PHE A 83 -10.788 5.250 2.188 1.00 0.00 C ATOM 0 H PHE A 83 -6.354 8.510 6.049 1.00 0.00 H new ATOM 0 HA PHE A 83 -6.249 6.372 4.401 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -8.200 7.008 5.762 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -8.452 8.452 4.802 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -8.553 4.741 4.655 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -9.781 8.394 2.843 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -10.080 3.500 3.187 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -11.302 7.153 1.369 1.00 0.00 H new ATOM 0 HZ PHE A 83 -11.461 4.704 1.543 1.00 0.00 H new ATOM 1021 N ASP A 84 -6.962 8.977 2.495 1.00 0.00 N ATOM 1022 CA ASP A 84 -7.042 9.392 1.093 1.00 0.00 C ATOM 1023 C ASP A 84 -5.689 9.279 0.402 1.00 0.00 C ATOM 1024 O ASP A 84 -5.565 8.641 -0.641 1.00 0.00 O ATOM 1025 CB ASP A 84 -7.579 10.818 0.984 1.00 0.00 C ATOM 1026 CG ASP A 84 -7.582 11.333 -0.441 1.00 0.00 C ATOM 1027 OD1 ASP A 84 -7.983 10.582 -1.351 1.00 0.00 O ATOM 1028 OD2 ASP A 84 -7.181 12.495 -0.655 1.00 0.00 O ATOM 0 H ASP A 84 -7.240 9.694 3.165 1.00 0.00 H new ATOM 0 HA ASP A 84 -7.734 8.718 0.587 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.594 10.851 1.380 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -6.973 11.479 1.604 1.00 0.00 H new ATOM 1033 N GLU A 85 -4.678 9.882 1.001 1.00 0.00 N ATOM 1034 CA GLU A 85 -3.313 9.796 0.496 1.00 0.00 C ATOM 1035 C GLU A 85 -2.870 8.334 0.356 1.00 0.00 C ATOM 1036 O GLU A 85 -2.187 7.971 -0.600 1.00 0.00 O ATOM 1037 CB GLU A 85 -2.371 10.546 1.433 1.00 0.00 C ATOM 1038 CG GLU A 85 -2.771 11.999 1.663 1.00 0.00 C ATOM 1039 CD GLU A 85 -3.736 12.178 2.817 1.00 0.00 C ATOM 1040 OE1 GLU A 85 -4.954 11.974 2.624 1.00 0.00 O ATOM 1041 OE2 GLU A 85 -3.278 12.534 3.918 1.00 0.00 O ATOM 0 H GLU A 85 -4.775 10.443 1.847 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.279 10.254 -0.493 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -2.339 10.030 2.393 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.362 10.516 1.021 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.875 12.590 1.852 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.226 12.392 0.754 1.00 0.00 H new ATOM 1048 N THR A 86 -3.287 7.493 1.296 1.00 0.00 N ATOM 1049 CA THR A 86 -2.925 6.081 1.269 1.00 0.00 C ATOM 1050 C THR A 86 -3.592 5.359 0.094 1.00 0.00 C ATOM 1051 O THR A 86 -2.954 4.560 -0.593 1.00 0.00 O ATOM 1052 CB THR A 86 -3.297 5.373 2.589 1.00 0.00 C ATOM 1053 OG1 THR A 86 -2.742 6.091 3.698 1.00 0.00 O ATOM 1054 CG2 THR A 86 -2.778 3.941 2.608 1.00 0.00 C ATOM 0 H THR A 86 -3.875 7.764 2.084 1.00 0.00 H new ATOM 0 HA THR A 86 -1.843 6.036 1.144 1.00 0.00 H new ATOM 0 HB THR A 86 -4.384 5.351 2.666 1.00 0.00 H new ATOM 0 HG1 THR A 86 -3.127 6.991 3.731 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.054 3.466 3.549 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.215 3.385 1.779 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.692 3.946 2.509 1.00 0.00 H new ATOM 1062 N LYS A 87 -4.867 5.646 -0.154 1.00 0.00 N ATOM 1063 CA LYS A 87 -5.568 4.994 -1.255 1.00 0.00 C ATOM 1064 C LYS A 87 -5.071 5.527 -2.596 1.00 0.00 C ATOM 1065 O LYS A 87 -5.110 4.821 -3.603 1.00 0.00 O ATOM 1066 CB LYS A 87 -7.094 5.140 -1.140 1.00 0.00 C ATOM 1067 CG LYS A 87 -7.627 6.551 -1.329 1.00 0.00 C ATOM 1068 CD LYS A 87 -9.146 6.555 -1.378 1.00 0.00 C ATOM 1069 CE LYS A 87 -9.714 7.961 -1.515 1.00 0.00 C ATOM 1070 NZ LYS A 87 -9.232 8.653 -2.741 1.00 0.00 N ATOM 0 H LYS A 87 -5.426 6.311 0.380 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.345 3.929 -1.196 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.562 4.490 -1.880 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.404 4.780 -0.159 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.284 7.186 -0.512 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.228 6.974 -2.251 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.482 5.946 -2.217 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.538 6.093 -0.472 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.803 7.909 -1.535 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.439 8.548 -0.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.544 9.387 -2.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.777 7.963 -3.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.037 9.093 -3.231 1.00 0.00 H new ATOM 1084 N LYS A 88 -4.585 6.767 -2.601 1.00 0.00 N ATOM 1085 CA LYS A 88 -3.992 7.349 -3.795 1.00 0.00 C ATOM 1086 C LYS A 88 -2.760 6.561 -4.218 1.00 0.00 C ATOM 1087 O LYS A 88 -2.680 6.073 -5.346 1.00 0.00 O ATOM 1088 CB LYS A 88 -3.584 8.802 -3.553 1.00 0.00 C ATOM 1089 CG LYS A 88 -4.736 9.778 -3.410 1.00 0.00 C ATOM 1090 CD LYS A 88 -4.216 11.197 -3.239 1.00 0.00 C ATOM 1091 CE LYS A 88 -5.337 12.192 -2.990 1.00 0.00 C ATOM 1092 NZ LYS A 88 -6.308 12.252 -4.113 1.00 0.00 N ATOM 0 H LYS A 88 -4.592 7.385 -1.790 1.00 0.00 H new ATOM 0 HA LYS A 88 -4.744 7.312 -4.584 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.976 8.847 -2.650 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.952 9.128 -4.379 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -5.378 9.723 -4.290 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -5.348 9.503 -2.551 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -3.514 11.227 -2.406 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -3.664 11.490 -4.132 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.862 11.920 -2.075 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.910 13.182 -2.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -6.993 13.015 -3.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -5.800 12.438 -5.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -6.812 11.345 -4.185 1.00 0.00 H new ATOM 1106 N VAL A 89 -1.807 6.435 -3.298 1.00 0.00 N ATOM 1107 CA VAL A 89 -0.528 5.808 -3.602 1.00 0.00 C ATOM 1108 C VAL A 89 -0.702 4.332 -3.954 1.00 0.00 C ATOM 1109 O VAL A 89 -0.082 3.844 -4.897 1.00 0.00 O ATOM 1110 CB VAL A 89 0.490 5.976 -2.443 1.00 0.00 C ATOM 1111 CG1 VAL A 89 -0.037 5.389 -1.147 1.00 0.00 C ATOM 1112 CG2 VAL A 89 1.835 5.358 -2.807 1.00 0.00 C ATOM 0 H VAL A 89 -1.899 6.760 -2.335 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.124 6.322 -4.474 1.00 0.00 H new ATOM 0 HB VAL A 89 0.634 7.045 -2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.703 5.525 -0.358 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.962 5.894 -0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.231 4.325 -1.282 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.531 5.489 -1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 89 1.705 4.295 -3.007 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.232 5.848 -3.696 1.00 0.00 H new ATOM 1122 N LEU A 90 -1.566 3.629 -3.223 1.00 0.00 N ATOM 1123 CA LEU A 90 -1.827 2.224 -3.512 1.00 0.00 C ATOM 1124 C LEU A 90 -2.388 2.069 -4.922 1.00 0.00 C ATOM 1125 O LEU A 90 -2.077 1.105 -5.625 1.00 0.00 O ATOM 1126 CB LEU A 90 -2.792 1.611 -2.486 1.00 0.00 C ATOM 1127 CG LEU A 90 -2.255 1.496 -1.055 1.00 0.00 C ATOM 1128 CD1 LEU A 90 -3.213 0.693 -0.190 1.00 0.00 C ATOM 1129 CD2 LEU A 90 -0.870 0.866 -1.051 1.00 0.00 C ATOM 0 H LEU A 90 -2.091 4.007 -2.434 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.881 1.688 -3.445 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.701 2.211 -2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.074 0.616 -2.830 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.174 2.499 -0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.816 0.621 0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.183 1.189 -0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.328 -0.308 -0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.506 0.793 -0.026 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.922 -0.131 -1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.188 1.484 -1.635 1.00 0.00 H new ATOM 1141 N ALA A 91 -3.197 3.038 -5.337 1.00 0.00 N ATOM 1142 CA ALA A 91 -3.759 3.040 -6.677 1.00 0.00 C ATOM 1143 C ALA A 91 -2.680 3.315 -7.717 1.00 0.00 C ATOM 1144 O ALA A 91 -2.621 2.644 -8.742 1.00 0.00 O ATOM 1145 CB ALA A 91 -4.879 4.063 -6.787 1.00 0.00 C ATOM 0 H ALA A 91 -3.477 3.832 -4.761 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.175 2.051 -6.871 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.287 4.049 -7.798 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.667 3.818 -6.075 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.487 5.056 -6.567 1.00 0.00 H new ATOM 1151 N PHE A 92 -1.821 4.297 -7.444 1.00 0.00 N ATOM 1152 CA PHE A 92 -0.744 4.653 -8.368 1.00 0.00 C ATOM 1153 C PHE A 92 0.222 3.490 -8.565 1.00 0.00 C ATOM 1154 O PHE A 92 0.599 3.171 -9.692 1.00 0.00 O ATOM 1155 CB PHE A 92 0.028 5.883 -7.875 1.00 0.00 C ATOM 1156 CG PHE A 92 -0.744 7.173 -7.956 1.00 0.00 C ATOM 1157 CD1 PHE A 92 -1.379 7.547 -9.131 1.00 0.00 C ATOM 1158 CD2 PHE A 92 -0.830 8.012 -6.857 1.00 0.00 C ATOM 1159 CE1 PHE A 92 -2.084 8.734 -9.207 1.00 0.00 C ATOM 1160 CE2 PHE A 92 -1.533 9.201 -6.928 1.00 0.00 C ATOM 1161 CZ PHE A 92 -2.161 9.562 -8.103 1.00 0.00 C ATOM 0 H PHE A 92 -1.850 4.859 -6.593 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.209 4.890 -9.325 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.329 5.718 -6.841 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.942 5.983 -8.461 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.322 6.904 -9.997 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.342 7.734 -5.934 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.574 9.014 -10.128 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.591 9.847 -6.064 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.711 10.490 -8.160 1.00 0.00 H new ATOM 1171 N VAL A 93 0.613 2.856 -7.466 1.00 0.00 N ATOM 1172 CA VAL A 93 1.548 1.736 -7.521 1.00 0.00 C ATOM 1173 C VAL A 93 0.944 0.559 -8.285 1.00 0.00 C ATOM 1174 O VAL A 93 1.612 -0.065 -9.108 1.00 0.00 O ATOM 1175 CB VAL A 93 1.982 1.274 -6.113 1.00 0.00 C ATOM 1176 CG1 VAL A 93 2.979 0.128 -6.202 1.00 0.00 C ATOM 1177 CG2 VAL A 93 2.583 2.432 -5.331 1.00 0.00 C ATOM 0 H VAL A 93 0.298 3.097 -6.526 1.00 0.00 H new ATOM 0 HA VAL A 93 2.433 2.091 -8.048 1.00 0.00 H new ATOM 0 HB VAL A 93 1.095 0.920 -5.587 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.270 -0.180 -5.198 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.521 -0.714 -6.721 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.862 0.456 -6.751 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.883 2.086 -4.342 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.455 2.815 -5.861 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.843 3.225 -5.229 1.00 0.00 H new ATOM 1187 N ALA A 94 -0.319 0.252 -7.998 1.00 0.00 N ATOM 1188 CA ALA A 94 -1.019 -0.819 -8.698 1.00 0.00 C ATOM 1189 C ALA A 94 -1.174 -0.484 -10.177 1.00 0.00 C ATOM 1190 O ALA A 94 -0.967 -1.335 -11.043 1.00 0.00 O ATOM 1191 CB ALA A 94 -2.383 -1.071 -8.068 1.00 0.00 C ATOM 0 H ALA A 94 -0.876 0.728 -7.288 1.00 0.00 H new ATOM 0 HA ALA A 94 -0.423 -1.728 -8.610 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.889 -1.873 -8.605 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -2.254 -1.357 -7.024 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.983 -0.163 -8.124 1.00 0.00 H new ATOM 1197 N GLU A 95 -1.521 0.769 -10.455 1.00 0.00 N ATOM 1198 CA GLU A 95 -1.738 1.230 -11.820 1.00 0.00 C ATOM 1199 C GLU A 95 -0.468 1.106 -12.654 1.00 0.00 C ATOM 1200 O GLU A 95 -0.543 0.781 -13.837 1.00 0.00 O ATOM 1201 CB GLU A 95 -2.234 2.680 -11.828 1.00 0.00 C ATOM 1202 CG GLU A 95 -2.491 3.227 -13.223 1.00 0.00 C ATOM 1203 CD GLU A 95 -3.159 4.584 -13.214 1.00 0.00 C ATOM 1204 OE1 GLU A 95 -2.494 5.584 -12.872 1.00 0.00 O ATOM 1205 OE2 GLU A 95 -4.356 4.662 -13.569 1.00 0.00 O ATOM 0 H GLU A 95 -1.659 1.488 -9.745 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.502 0.594 -12.266 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.154 2.744 -11.246 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.497 3.310 -11.330 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.545 3.298 -13.759 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -3.117 2.524 -13.773 1.00 0.00 H new ATOM 1212 N ASP A 96 0.681 1.356 -12.019 1.00 0.00 N ATOM 1213 CA ASP A 96 1.991 1.335 -12.687 1.00 0.00 C ATOM 1214 C ASP A 96 2.089 0.242 -13.746 1.00 0.00 C ATOM 1215 O ASP A 96 2.199 0.535 -14.933 1.00 0.00 O ATOM 1216 CB ASP A 96 3.110 1.148 -11.656 1.00 0.00 C ATOM 1217 CG ASP A 96 4.449 0.811 -12.295 1.00 0.00 C ATOM 1218 OD1 ASP A 96 5.131 1.735 -12.785 1.00 0.00 O ATOM 1219 OD2 ASP A 96 4.818 -0.382 -12.308 1.00 0.00 O ATOM 0 H ASP A 96 0.732 1.579 -11.025 1.00 0.00 H new ATOM 0 HA ASP A 96 2.103 2.295 -13.191 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.212 2.060 -11.068 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.832 0.353 -10.965 1.00 0.00 H new ATOM 1224 N ARG A 97 2.023 -1.012 -13.324 1.00 0.00 N ATOM 1225 CA ARG A 97 2.188 -2.123 -14.249 1.00 0.00 C ATOM 1226 C ARG A 97 0.854 -2.658 -14.760 1.00 0.00 C ATOM 1227 O ARG A 97 0.779 -3.162 -15.883 1.00 0.00 O ATOM 1228 CB ARG A 97 3.014 -3.238 -13.605 1.00 0.00 C ATOM 1229 CG ARG A 97 4.504 -3.087 -13.866 1.00 0.00 C ATOM 1230 CD ARG A 97 5.329 -4.075 -13.062 1.00 0.00 C ATOM 1231 NE ARG A 97 5.298 -3.778 -11.633 1.00 0.00 N ATOM 1232 CZ ARG A 97 6.269 -4.116 -10.786 1.00 0.00 C ATOM 1233 NH1 ARG A 97 7.364 -4.718 -11.223 1.00 0.00 N ATOM 1234 NH2 ARG A 97 6.162 -3.842 -9.497 1.00 0.00 N ATOM 0 H ARG A 97 1.858 -1.284 -12.355 1.00 0.00 H new ATOM 0 HA ARG A 97 2.727 -1.743 -15.117 1.00 0.00 H new ATOM 0 HB2 ARG A 97 2.836 -3.242 -12.530 1.00 0.00 H new ATOM 0 HB3 ARG A 97 2.678 -4.202 -13.988 1.00 0.00 H new ATOM 0 HG2 ARG A 97 4.702 -3.231 -14.928 1.00 0.00 H new ATOM 0 HG3 ARG A 97 4.814 -2.072 -13.619 1.00 0.00 H new ATOM 0 HD2 ARG A 97 4.952 -5.084 -13.231 1.00 0.00 H new ATOM 0 HD3 ARG A 97 6.361 -4.057 -13.414 1.00 0.00 H new ATOM 0 HE ARG A 97 4.487 -3.284 -11.262 1.00 0.00 H new ATOM 0 HH11 ARG A 97 7.470 -4.927 -12.216 1.00 0.00 H new ATOM 0 HH12 ARG A 97 8.102 -4.973 -10.567 1.00 0.00 H new ATOM 0 HH21 ARG A 97 5.331 -3.368 -9.144 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.911 -4.105 -8.856 1.00 0.00 H new ATOM 1248 N ALA A 98 -0.200 -2.543 -13.958 1.00 0.00 N ATOM 1249 CA ALA A 98 -1.518 -3.005 -14.380 1.00 0.00 C ATOM 1250 C ALA A 98 -2.000 -2.249 -15.615 1.00 0.00 C ATOM 1251 O ALA A 98 -2.495 -2.850 -16.567 1.00 0.00 O ATOM 1252 CB ALA A 98 -2.526 -2.852 -13.255 1.00 0.00 C ATOM 0 H ALA A 98 -0.169 -2.138 -13.022 1.00 0.00 H new ATOM 0 HA ALA A 98 -1.430 -4.061 -14.636 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -3.502 -3.202 -13.591 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -2.205 -3.441 -12.396 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -2.596 -1.802 -12.969 1.00 0.00 H new ATOM 1258 N ARG A 99 -1.821 -0.935 -15.601 1.00 0.00 N ATOM 1259 CA ARG A 99 -2.341 -0.067 -16.653 1.00 0.00 C ATOM 1260 C ARG A 99 -1.535 -0.201 -17.945 1.00 0.00 C ATOM 1261 O ARG A 99 -2.046 0.068 -19.031 1.00 0.00 O ATOM 1262 CB ARG A 99 -2.358 1.386 -16.163 1.00 0.00 C ATOM 1263 CG ARG A 99 -3.068 2.366 -17.086 1.00 0.00 C ATOM 1264 CD ARG A 99 -2.087 3.273 -17.812 1.00 0.00 C ATOM 1265 NE ARG A 99 -1.947 2.928 -19.228 1.00 0.00 N ATOM 1266 CZ ARG A 99 -1.798 3.835 -20.194 1.00 0.00 C ATOM 1267 NH1 ARG A 99 -1.789 5.126 -19.895 1.00 0.00 N ATOM 1268 NH2 ARG A 99 -1.674 3.459 -21.460 1.00 0.00 N ATOM 0 H ARG A 99 -1.315 -0.442 -14.866 1.00 0.00 H new ATOM 0 HA ARG A 99 -3.361 -0.377 -16.881 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -2.838 1.418 -15.185 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -1.329 1.720 -16.025 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -3.660 1.814 -17.816 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -3.763 2.973 -16.506 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -2.420 4.307 -17.725 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -1.112 3.210 -17.328 1.00 0.00 H new ATOM 0 HE ARG A 99 -1.964 1.942 -19.489 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -1.896 5.426 -18.926 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -1.675 5.820 -20.634 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -1.692 2.468 -21.702 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -1.561 4.161 -22.192 1.00 0.00 H new ATOM 1282 N GLN A 100 -0.273 -0.599 -17.827 1.00 0.00 N ATOM 1283 CA GLN A 100 0.583 -0.771 -19.000 1.00 0.00 C ATOM 1284 C GLN A 100 0.072 -1.894 -19.898 1.00 0.00 C ATOM 1285 O GLN A 100 -0.041 -1.730 -21.111 1.00 0.00 O ATOM 1286 CB GLN A 100 2.025 -1.075 -18.588 1.00 0.00 C ATOM 1287 CG GLN A 100 2.702 0.049 -17.827 1.00 0.00 C ATOM 1288 CD GLN A 100 4.142 -0.273 -17.470 1.00 0.00 C ATOM 1289 OE1 GLN A 100 4.834 -0.982 -18.202 1.00 0.00 O ATOM 1290 NE2 GLN A 100 4.593 0.221 -16.330 1.00 0.00 N ATOM 0 H GLN A 100 0.180 -0.808 -16.937 1.00 0.00 H new ATOM 0 HA GLN A 100 0.558 0.167 -19.555 1.00 0.00 H new ATOM 0 HB2 GLN A 100 2.033 -1.974 -17.971 1.00 0.00 H new ATOM 0 HB3 GLN A 100 2.608 -1.297 -19.482 1.00 0.00 H new ATOM 0 HG2 GLN A 100 2.675 0.958 -18.428 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.142 0.254 -16.914 1.00 0.00 H new ATOM 0 HE21 GLN A 100 3.988 0.804 -15.752 1.00 0.00 H new ATOM 0 HE22 GLN A 100 5.546 0.019 -16.028 1.00 0.00 H new ATOM 1299 N SER A 101 -0.235 -3.032 -19.298 1.00 0.00 N ATOM 1300 CA SER A 101 -0.630 -4.203 -20.064 1.00 0.00 C ATOM 1301 C SER A 101 -2.149 -4.348 -20.132 1.00 0.00 C ATOM 1302 O SER A 101 -2.727 -4.405 -21.218 1.00 0.00 O ATOM 1303 CB SER A 101 -0.007 -5.452 -19.446 1.00 0.00 C ATOM 1304 OG SER A 101 1.394 -5.290 -19.289 1.00 0.00 O ATOM 0 H SER A 101 -0.219 -3.170 -18.288 1.00 0.00 H new ATOM 0 HA SER A 101 -0.268 -4.079 -21.085 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.466 -5.652 -18.478 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.209 -6.316 -20.079 1.00 0.00 H new ATOM 0 HG SER A 101 1.774 -6.100 -18.890 1.00 0.00 H new ATOM 1310 N LYS A 102 -2.794 -4.383 -18.973 1.00 0.00 N ATOM 1311 CA LYS A 102 -4.223 -4.662 -18.909 1.00 0.00 C ATOM 1312 C LYS A 102 -5.029 -3.366 -18.975 1.00 0.00 C ATOM 1313 O LYS A 102 -5.998 -3.282 -19.730 1.00 0.00 O ATOM 1314 CB LYS A 102 -4.540 -5.431 -17.627 1.00 0.00 C ATOM 1315 CG LYS A 102 -5.834 -6.225 -17.683 1.00 0.00 C ATOM 1316 CD LYS A 102 -5.977 -7.115 -16.459 1.00 0.00 C ATOM 1317 CE LYS A 102 -7.116 -8.109 -16.612 1.00 0.00 C ATOM 1318 NZ LYS A 102 -7.182 -9.053 -15.464 1.00 0.00 N ATOM 0 H LYS A 102 -2.352 -4.222 -18.068 1.00 0.00 H new ATOM 0 HA LYS A 102 -4.503 -5.274 -19.766 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -3.717 -6.113 -17.412 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.595 -4.726 -16.797 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -6.682 -5.543 -17.743 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -5.852 -6.836 -18.586 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -5.045 -7.654 -16.291 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -6.151 -6.496 -15.578 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -8.060 -7.570 -16.695 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -6.987 -8.670 -17.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -7.536 -9.974 -15.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -6.232 -9.171 -15.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -7.824 -8.674 -14.739 1.00 0.00 H new ATOM 1332 N LYS A 103 -4.602 -2.383 -18.159 1.00 0.00 N ATOM 1333 CA LYS A 103 -5.157 -1.009 -18.093 1.00 0.00 C ATOM 1334 C LYS A 103 -6.033 -0.750 -16.846 1.00 0.00 C ATOM 1335 O LYS A 103 -5.791 0.239 -16.148 1.00 0.00 O ATOM 1336 CB LYS A 103 -5.865 -0.565 -19.384 1.00 0.00 C ATOM 1337 CG LYS A 103 -4.916 -0.451 -20.570 1.00 0.00 C ATOM 1338 CD LYS A 103 -5.589 0.148 -21.793 1.00 0.00 C ATOM 1339 CE LYS A 103 -5.901 1.622 -21.593 1.00 0.00 C ATOM 1340 NZ LYS A 103 -6.471 2.241 -22.817 1.00 0.00 N ATOM 0 H LYS A 103 -3.834 -2.525 -17.503 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.276 -0.375 -17.989 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -6.654 -1.278 -19.623 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.346 0.399 -19.216 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -4.061 0.165 -20.290 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -4.529 -1.439 -20.819 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -4.942 0.027 -22.661 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.511 -0.394 -22.004 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.605 1.735 -20.768 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -4.991 2.150 -21.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.669 3.246 -22.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -5.790 2.157 -23.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.354 1.754 -23.073 1.00 0.00 H new ATOM 1354 N PRO A 104 -7.060 -1.581 -16.530 1.00 0.00 N ATOM 1355 CA PRO A 104 -7.844 -1.412 -15.295 1.00 0.00 C ATOM 1356 C PRO A 104 -6.991 -1.555 -14.033 1.00 0.00 C ATOM 1357 O PRO A 104 -6.377 -2.596 -13.796 1.00 0.00 O ATOM 1358 CB PRO A 104 -8.886 -2.535 -15.361 1.00 0.00 C ATOM 1359 CG PRO A 104 -8.957 -2.905 -16.799 1.00 0.00 C ATOM 1360 CD PRO A 104 -7.572 -2.703 -17.334 1.00 0.00 C ATOM 0 HA PRO A 104 -8.279 -0.414 -15.235 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -8.589 -3.386 -14.748 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -9.854 -2.198 -14.991 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -9.278 -3.939 -16.923 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -9.677 -2.282 -17.329 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.960 -3.597 -17.214 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -7.582 -2.464 -18.398 1.00 0.00 H new ATOM 1368 N ILE A 105 -6.972 -0.503 -13.228 1.00 0.00 N ATOM 1369 CA ILE A 105 -6.180 -0.475 -12.001 1.00 0.00 C ATOM 1370 C ILE A 105 -6.811 -1.352 -10.914 1.00 0.00 C ATOM 1371 O ILE A 105 -6.108 -2.051 -10.182 1.00 0.00 O ATOM 1372 CB ILE A 105 -5.979 0.989 -11.505 1.00 0.00 C ATOM 1373 CG1 ILE A 105 -5.165 1.056 -10.198 1.00 0.00 C ATOM 1374 CG2 ILE A 105 -7.311 1.702 -11.344 1.00 0.00 C ATOM 1375 CD1 ILE A 105 -5.973 0.897 -8.918 1.00 0.00 C ATOM 0 H ILE A 105 -7.501 0.352 -13.403 1.00 0.00 H new ATOM 0 HA ILE A 105 -5.197 -0.889 -12.224 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.402 1.504 -12.273 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -4.402 0.278 -10.225 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.644 2.013 -10.163 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -7.139 2.721 -10.997 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -7.828 1.728 -12.303 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -7.923 1.169 -10.616 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -5.307 0.959 -8.057 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.719 1.689 -8.858 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -6.472 -0.072 -8.921 1.00 0.00 H new ATOM 1387 N GLN A 106 -8.139 -1.308 -10.819 1.00 0.00 N ATOM 1388 CA GLN A 106 -8.879 -2.047 -9.793 1.00 0.00 C ATOM 1389 C GLN A 106 -8.535 -3.538 -9.824 1.00 0.00 C ATOM 1390 O GLN A 106 -8.503 -4.194 -8.784 1.00 0.00 O ATOM 1391 CB GLN A 106 -10.385 -1.838 -9.998 1.00 0.00 C ATOM 1392 CG GLN A 106 -11.273 -2.466 -8.931 1.00 0.00 C ATOM 1393 CD GLN A 106 -10.920 -2.021 -7.523 1.00 0.00 C ATOM 1394 OE1 GLN A 106 -11.375 -0.977 -7.052 1.00 0.00 O ATOM 1395 NE2 GLN A 106 -10.153 -2.838 -6.823 1.00 0.00 N ATOM 0 H GLN A 106 -8.731 -0.763 -11.446 1.00 0.00 H new ATOM 0 HA GLN A 106 -8.590 -1.665 -8.814 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -10.587 -0.767 -10.033 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -10.665 -2.247 -10.969 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -12.313 -2.211 -9.136 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -11.193 -3.551 -8.993 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -9.796 -3.693 -7.249 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -9.918 -2.614 -5.856 1.00 0.00 H new ATOM 1404 N ASP A 107 -8.246 -4.049 -11.018 1.00 0.00 N ATOM 1405 CA ASP A 107 -7.892 -5.457 -11.201 1.00 0.00 C ATOM 1406 C ASP A 107 -6.676 -5.834 -10.364 1.00 0.00 C ATOM 1407 O ASP A 107 -6.688 -6.838 -9.646 1.00 0.00 O ATOM 1408 CB ASP A 107 -7.604 -5.739 -12.676 1.00 0.00 C ATOM 1409 CG ASP A 107 -7.189 -7.176 -12.926 1.00 0.00 C ATOM 1410 OD1 ASP A 107 -8.074 -8.025 -13.154 1.00 0.00 O ATOM 1411 OD2 ASP A 107 -5.977 -7.462 -12.924 1.00 0.00 O ATOM 0 H ASP A 107 -8.250 -3.505 -11.881 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.738 -6.060 -10.871 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -8.493 -5.514 -13.265 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -6.815 -5.072 -13.022 1.00 0.00 H new ATOM 1416 N GLU A 108 -5.634 -5.016 -10.444 1.00 0.00 N ATOM 1417 CA GLU A 108 -4.399 -5.294 -9.729 1.00 0.00 C ATOM 1418 C GLU A 108 -4.558 -4.989 -8.245 1.00 0.00 C ATOM 1419 O GLU A 108 -3.944 -5.645 -7.415 1.00 0.00 O ATOM 1420 CB GLU A 108 -3.228 -4.512 -10.338 1.00 0.00 C ATOM 1421 CG GLU A 108 -1.863 -4.810 -9.714 1.00 0.00 C ATOM 1422 CD GLU A 108 -1.593 -6.297 -9.501 1.00 0.00 C ATOM 1423 OE1 GLU A 108 -1.732 -7.080 -10.460 1.00 0.00 O ATOM 1424 OE2 GLU A 108 -1.213 -6.685 -8.369 1.00 0.00 O ATOM 0 H GLU A 108 -5.621 -4.158 -10.995 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.174 -6.356 -9.830 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.179 -4.730 -11.405 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -3.432 -3.446 -10.240 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -1.084 -4.397 -10.354 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -1.793 -4.297 -8.755 1.00 0.00 H new ATOM 1431 N LEU A 109 -5.392 -4.008 -7.898 1.00 0.00 N ATOM 1432 CA LEU A 109 -5.664 -3.747 -6.487 1.00 0.00 C ATOM 1433 C LEU A 109 -6.300 -4.972 -5.849 1.00 0.00 C ATOM 1434 O LEU A 109 -5.874 -5.420 -4.783 1.00 0.00 O ATOM 1435 CB LEU A 109 -6.579 -2.543 -6.268 1.00 0.00 C ATOM 1436 CG LEU A 109 -6.840 -2.244 -4.787 1.00 0.00 C ATOM 1437 CD1 LEU A 109 -5.632 -1.587 -4.145 1.00 0.00 C ATOM 1438 CD2 LEU A 109 -8.076 -1.388 -4.603 1.00 0.00 C ATOM 0 H LEU A 109 -5.878 -3.397 -8.555 1.00 0.00 H new ATOM 0 HA LEU A 109 -4.705 -3.520 -6.022 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -6.132 -1.666 -6.736 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -7.530 -2.722 -6.769 1.00 0.00 H new ATOM 0 HG LEU A 109 -7.018 -3.196 -4.287 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -5.843 -1.385 -3.095 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.772 -2.253 -4.221 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.412 -0.650 -4.657 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -8.231 -1.196 -3.541 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -7.945 -0.442 -5.128 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -8.943 -1.910 -5.007 1.00 0.00 H new ATOM 1450 N ASP A 110 -7.317 -5.517 -6.510 1.00 0.00 N ATOM 1451 CA ASP A 110 -7.954 -6.740 -6.041 1.00 0.00 C ATOM 1452 C ASP A 110 -6.927 -7.849 -5.950 1.00 0.00 C ATOM 1453 O ASP A 110 -6.929 -8.627 -5.002 1.00 0.00 O ATOM 1454 CB ASP A 110 -9.097 -7.171 -6.962 1.00 0.00 C ATOM 1455 CG ASP A 110 -10.404 -6.475 -6.642 1.00 0.00 C ATOM 1456 OD1 ASP A 110 -11.053 -6.850 -5.641 1.00 0.00 O ATOM 1457 OD2 ASP A 110 -10.803 -5.568 -7.402 1.00 0.00 O ATOM 0 H ASP A 110 -7.715 -5.133 -7.367 1.00 0.00 H new ATOM 0 HA ASP A 110 -8.374 -6.541 -5.055 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -8.823 -6.961 -7.996 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -9.236 -8.249 -6.881 1.00 0.00 H new ATOM 1462 N ALA A 111 -6.034 -7.895 -6.931 1.00 0.00 N ATOM 1463 CA ALA A 111 -4.952 -8.864 -6.931 1.00 0.00 C ATOM 1464 C ALA A 111 -4.070 -8.679 -5.702 1.00 0.00 C ATOM 1465 O ALA A 111 -3.830 -9.628 -4.973 1.00 0.00 O ATOM 1466 CB ALA A 111 -4.132 -8.757 -8.208 1.00 0.00 C ATOM 0 H ALA A 111 -6.040 -7.270 -7.737 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.386 -9.863 -6.893 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -3.327 -9.492 -8.186 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -4.773 -8.946 -9.069 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.707 -7.756 -8.285 1.00 0.00 H new ATOM 1472 N ILE A 112 -3.606 -7.452 -5.473 1.00 0.00 N ATOM 1473 CA ILE A 112 -2.793 -7.125 -4.297 1.00 0.00 C ATOM 1474 C ILE A 112 -3.468 -7.601 -3.015 1.00 0.00 C ATOM 1475 O ILE A 112 -2.875 -8.325 -2.210 1.00 0.00 O ATOM 1476 CB ILE A 112 -2.558 -5.601 -4.185 1.00 0.00 C ATOM 1477 CG1 ILE A 112 -1.798 -5.072 -5.399 1.00 0.00 C ATOM 1478 CG2 ILE A 112 -1.810 -5.262 -2.902 1.00 0.00 C ATOM 1479 CD1 ILE A 112 -1.709 -3.560 -5.436 1.00 0.00 C ATOM 0 H ILE A 112 -3.780 -6.659 -6.091 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.838 -7.635 -4.423 1.00 0.00 H new ATOM 0 HB ILE A 112 -3.533 -5.115 -4.155 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.791 -5.489 -5.399 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -2.288 -5.423 -6.307 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -1.656 -4.184 -2.845 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -2.394 -5.591 -2.043 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -0.844 -5.767 -2.900 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -1.157 -3.250 -6.323 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.713 -3.137 -5.467 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -1.193 -3.204 -4.544 1.00 0.00 H new ATOM 1491 N THR A 113 -4.717 -7.191 -2.852 1.00 0.00 N ATOM 1492 CA THR A 113 -5.504 -7.525 -1.680 1.00 0.00 C ATOM 1493 C THR A 113 -5.645 -9.047 -1.543 1.00 0.00 C ATOM 1494 O THR A 113 -5.502 -9.606 -0.454 1.00 0.00 O ATOM 1495 CB THR A 113 -6.896 -6.860 -1.786 1.00 0.00 C ATOM 1496 OG1 THR A 113 -6.755 -5.525 -2.296 1.00 0.00 O ATOM 1497 CG2 THR A 113 -7.590 -6.790 -0.437 1.00 0.00 C ATOM 0 H THR A 113 -5.213 -6.615 -3.533 1.00 0.00 H new ATOM 0 HA THR A 113 -4.996 -7.151 -0.791 1.00 0.00 H new ATOM 0 HB THR A 113 -7.501 -7.469 -2.458 1.00 0.00 H new ATOM 0 HG1 THR A 113 -6.740 -5.549 -3.276 1.00 0.00 H new ATOM 0 HG21 THR A 113 -8.565 -6.316 -0.553 1.00 0.00 H new ATOM 0 HG22 THR A 113 -7.721 -7.798 -0.042 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.983 -6.206 0.255 1.00 0.00 H new ATOM 1505 N GLU A 114 -5.885 -9.704 -2.673 1.00 0.00 N ATOM 1506 CA GLU A 114 -6.038 -11.154 -2.735 1.00 0.00 C ATOM 1507 C GLU A 114 -4.707 -11.867 -2.454 1.00 0.00 C ATOM 1508 O GLU A 114 -4.670 -12.884 -1.758 1.00 0.00 O ATOM 1509 CB GLU A 114 -6.587 -11.525 -4.116 1.00 0.00 C ATOM 1510 CG GLU A 114 -6.887 -12.996 -4.320 1.00 0.00 C ATOM 1511 CD GLU A 114 -7.701 -13.232 -5.578 1.00 0.00 C ATOM 1512 OE1 GLU A 114 -7.254 -12.832 -6.671 1.00 0.00 O ATOM 1513 OE2 GLU A 114 -8.811 -13.796 -5.473 1.00 0.00 O ATOM 0 H GLU A 114 -5.980 -9.243 -3.578 1.00 0.00 H new ATOM 0 HA GLU A 114 -6.736 -11.481 -1.965 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -7.501 -10.957 -4.290 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -5.867 -11.210 -4.872 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -5.952 -13.553 -4.381 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -7.431 -13.380 -3.457 1.00 0.00 H new ATOM 1520 N LYS A 115 -3.622 -11.328 -3.001 1.00 0.00 N ATOM 1521 CA LYS A 115 -2.283 -11.876 -2.788 1.00 0.00 C ATOM 1522 C LYS A 115 -1.909 -11.838 -1.310 1.00 0.00 C ATOM 1523 O LYS A 115 -1.636 -12.873 -0.701 1.00 0.00 O ATOM 1524 CB LYS A 115 -1.246 -11.090 -3.604 1.00 0.00 C ATOM 1525 CG LYS A 115 -1.386 -11.257 -5.110 1.00 0.00 C ATOM 1526 CD LYS A 115 -0.621 -10.178 -5.870 1.00 0.00 C ATOM 1527 CE LYS A 115 -0.834 -10.306 -7.371 1.00 0.00 C ATOM 1528 NZ LYS A 115 -0.243 -9.169 -8.135 1.00 0.00 N ATOM 0 H LYS A 115 -3.643 -10.504 -3.601 1.00 0.00 H new ATOM 0 HA LYS A 115 -2.288 -12.914 -3.121 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -1.331 -10.032 -3.357 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -0.247 -11.408 -3.305 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -1.017 -12.240 -5.403 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -2.440 -11.217 -5.384 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -0.948 -9.193 -5.536 1.00 0.00 H new ATOM 0 HD3 LYS A 115 0.442 -10.254 -5.643 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -0.393 -11.240 -7.718 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -1.903 -10.362 -7.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -0.402 -9.315 -9.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -0.693 -8.280 -7.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 0.779 -9.119 -7.948 1.00 0.00 H new ATOM 1542 N LEU A 116 -1.939 -10.641 -0.731 1.00 0.00 N ATOM 1543 CA LEU A 116 -1.506 -10.439 0.651 1.00 0.00 C ATOM 1544 C LEU A 116 -2.429 -11.135 1.648 1.00 0.00 C ATOM 1545 O LEU A 116 -2.068 -11.315 2.811 1.00 0.00 O ATOM 1546 CB LEU A 116 -1.442 -8.949 0.975 1.00 0.00 C ATOM 1547 CG LEU A 116 -0.440 -8.140 0.153 1.00 0.00 C ATOM 1548 CD1 LEU A 116 -0.492 -6.673 0.547 1.00 0.00 C ATOM 1549 CD2 LEU A 116 0.962 -8.693 0.340 1.00 0.00 C ATOM 0 H LEU A 116 -2.260 -9.793 -1.198 1.00 0.00 H new ATOM 0 HA LEU A 116 -0.514 -10.881 0.743 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.434 -8.521 0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.196 -8.835 2.031 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.707 -8.222 -0.901 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.228 -6.111 -0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.494 -6.283 0.368 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.247 -6.571 1.604 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.666 -8.107 -0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 116 1.238 -8.637 1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.990 -9.732 0.013 1.00 0.00 H new ATOM 1561 N ALA A 117 -3.618 -11.511 1.191 1.00 0.00 N ATOM 1562 CA ALA A 117 -4.567 -12.232 2.028 1.00 0.00 C ATOM 1563 C ALA A 117 -3.975 -13.561 2.488 1.00 0.00 C ATOM 1564 O ALA A 117 -4.192 -13.993 3.620 1.00 0.00 O ATOM 1565 CB ALA A 117 -5.871 -12.460 1.280 1.00 0.00 C ATOM 0 H ALA A 117 -3.947 -11.328 0.243 1.00 0.00 H new ATOM 0 HA ALA A 117 -4.777 -11.626 2.910 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.568 -13.000 1.921 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -6.304 -11.499 1.002 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -5.677 -13.045 0.381 1.00 0.00 H new ATOM 1571 N LYS A 118 -3.230 -14.208 1.599 1.00 0.00 N ATOM 1572 CA LYS A 118 -2.569 -15.461 1.934 1.00 0.00 C ATOM 1573 C LYS A 118 -1.081 -15.230 2.170 1.00 0.00 C ATOM 1574 O LYS A 118 -0.401 -16.062 2.766 1.00 0.00 O ATOM 1575 CB LYS A 118 -2.741 -16.489 0.815 1.00 0.00 C ATOM 1576 CG LYS A 118 -2.413 -17.910 1.251 1.00 0.00 C ATOM 1577 CD LYS A 118 -2.148 -18.819 0.065 1.00 0.00 C ATOM 1578 CE LYS A 118 -0.742 -18.626 -0.484 1.00 0.00 C ATOM 1579 NZ LYS A 118 0.302 -19.070 0.483 1.00 0.00 N ATOM 0 H LYS A 118 -3.070 -13.886 0.644 1.00 0.00 H new ATOM 0 HA LYS A 118 -3.031 -15.844 2.844 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -3.769 -16.455 0.454 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -2.099 -16.216 -0.023 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -1.538 -17.897 1.901 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -3.240 -18.310 1.837 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -2.283 -19.858 0.365 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -2.877 -18.616 -0.720 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -0.636 -19.185 -1.414 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -0.588 -17.574 -0.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 1.188 -19.261 -0.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 0.462 -18.323 1.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -0.015 -19.937 0.963 1.00 0.00 H new ATOM 1593 N LEU A 119 -0.579 -14.090 1.706 1.00 0.00 N ATOM 1594 CA LEU A 119 0.850 -13.797 1.780 1.00 0.00 C ATOM 1595 C LEU A 119 1.196 -13.195 3.141 1.00 0.00 C ATOM 1596 O LEU A 119 2.263 -12.613 3.317 1.00 0.00 O ATOM 1597 CB LEU A 119 1.237 -12.832 0.650 1.00 0.00 C ATOM 1598 CG LEU A 119 2.729 -12.768 0.303 1.00 0.00 C ATOM 1599 CD1 LEU A 119 3.210 -14.116 -0.224 1.00 0.00 C ATOM 1600 CD2 LEU A 119 2.987 -11.664 -0.717 1.00 0.00 C ATOM 0 H LEU A 119 -1.139 -13.354 1.275 1.00 0.00 H new ATOM 0 HA LEU A 119 1.413 -14.723 1.663 1.00 0.00 H new ATOM 0 HB2 LEU A 119 0.687 -13.116 -0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 119 0.905 -11.831 0.924 1.00 0.00 H new ATOM 0 HG LEU A 119 3.290 -12.536 1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 119 4.271 -14.054 -0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 119 3.055 -14.881 0.537 1.00 0.00 H new ATOM 0 HD13 LEU A 119 2.648 -14.378 -1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.050 -11.629 -0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.419 -11.867 -1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 119 2.677 -10.705 -0.302 1.00 0.00 H new ATOM 1612 N GLU A 120 0.281 -13.380 4.096 1.00 0.00 N ATOM 1613 CA GLU A 120 0.435 -12.908 5.471 1.00 0.00 C ATOM 1614 C GLU A 120 0.984 -11.487 5.540 1.00 0.00 C ATOM 1615 O GLU A 120 2.155 -11.277 5.853 1.00 0.00 O ATOM 1616 CB GLU A 120 1.317 -13.861 6.282 1.00 0.00 C ATOM 1617 CG GLU A 120 0.762 -15.276 6.368 1.00 0.00 C ATOM 1618 CD GLU A 120 1.484 -16.129 7.389 1.00 0.00 C ATOM 1619 OE1 GLU A 120 2.635 -16.533 7.135 1.00 0.00 O ATOM 1620 OE2 GLU A 120 0.901 -16.407 8.458 1.00 0.00 O ATOM 0 H GLU A 120 -0.599 -13.869 3.932 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.563 -12.892 5.910 1.00 0.00 H new ATOM 0 HB2 GLU A 120 2.310 -13.895 5.833 1.00 0.00 H new ATOM 0 HB3 GLU A 120 1.436 -13.464 7.290 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -0.297 -15.231 6.623 1.00 0.00 H new ATOM 0 HG3 GLU A 120 0.835 -15.750 5.389 1.00 0.00 H new