USER MOD reduce.3.24.130724 H: found=0, std=0, add=1216, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1210 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 122 HIS : no HD1:sc= -0.887 K(o=-0.92,f=-2.4!) USER MOD Set 1.2: A 123 GLN : amide:sc= -0.2 K(o=-0.92,f=-2.1) USER MOD Set 1.3: A 127 HIS : no HE2:sc= 0.17 K(o=-0.92,f=-3.3) USER MOD Set 2.1: A 110 SER OG : rot 50:sc= 0.768 USER MOD Set 2.2: A 118 LYS NZ :NH3+ -120:sc= 0.781 (180deg=-0.492) USER MOD Set 3.1: A 50 THR OG1 : rot -102:sc= 0.23 USER MOD Set 3.2: A 54 THR OG1 : rot -69:sc= 1.4 USER MOD Set 4.1: A 24 ASN : amide:sc= 0.0605 K(o=-0.032,f=-0.86) USER MOD Set 4.2: A 34 CYS SG : rot 167:sc= -0.0925 USER MOD Single : A 1 ALA N :NH3+ -138:sc= 0.673 (180deg=-0.455) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.282 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -47:sc= 0.252 USER MOD Single : A 21 ASN : amide:sc= 0.269 K(o=0.27,f=-5.8!) USER MOD Single : A 25 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.21) USER MOD Single : A 28 GLN : amide:sc= -0.321 K(o=-0.32,f=-4.1!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= -0.0313 (180deg=-0.0313) USER MOD Single : A 43 GLN : amide:sc= -0.0277 X(o=-0.028,f=0) USER MOD Single : A 47 ASN : amide:sc= -0.132 K(o=-0.13,f=-1.9!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 124:sc= 1.05 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot -23:sc= -0.619 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -0.202 K(o=-0.2,f=-2.7!) USER MOD Single : A 72 ASN : amide:sc= 0.165 K(o=0.17,f=-2.7!) USER MOD Single : A 74 ASN : amide:sc= -0.154 K(o=-0.15,f=-2.2!) USER MOD Single : A 75 ASN : amide:sc= -0.216 K(o=-0.22,f=-2.1!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.202 USER MOD Single : A 77 SER OG : rot -100:sc= 1.06 USER MOD Single : A 89 TYR OH : rot -30:sc= -0.927 USER MOD Single : A 97 ASN : amide:sc= -1.17 X(o=-1.2,f=-1.4) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 130:sc= -0.609 USER MOD Single : A 124 SER OG : rot -141:sc= 0.068 USER MOD Single : A 126 SER OG : rot 72:sc= 1.08 USER MOD Single : A 132 MET CE :methyl 172:sc= -1.08 (180deg=-1.16) USER MOD Single : A 134 THR OG1 : rot -71:sc= 0.965 USER MOD Single : A 135 THR OG1 : rot -71:sc= 0.855 USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 TYR OH : rot 23:sc= 0.678 USER MOD Single : A 143 CYS SG : rot 100:sc= -0.494 USER MOD Single : A 146 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0108) USER MOD Single : A 147 THR OG1 : rot 180:sc= 0.0447 USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 THR OG1 : rot 180:sc= 0.00251 USER MOD Single : A 157 GLN : amide:sc= -0.278 X(o=-0.28,f=0) USER MOD Single : A 158 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 8.379 5.247 -16.194 1.00 4.82 N ATOM 2 CA ALA A 1 8.752 6.580 -15.697 1.00 4.01 C ATOM 3 C ALA A 1 8.182 6.809 -14.298 1.00 3.02 C ATOM 4 O ALA A 1 7.037 7.240 -14.175 1.00 3.49 O ATOM 5 CB ALA A 1 8.273 7.667 -16.666 1.00 5.51 C ATOM 0 H1 ALA A 1 9.196 4.812 -16.668 1.00 4.82 H new ATOM 0 H2 ALA A 1 8.083 4.649 -15.396 1.00 4.82 H new ATOM 0 H3 ALA A 1 7.594 5.336 -16.870 1.00 4.82 H new ATOM 0 HA ALA A 1 9.839 6.635 -15.634 1.00 4.01 H new ATOM 0 HB1 ALA A 1 8.557 8.647 -16.283 1.00 5.51 H new ATOM 0 HB2 ALA A 1 8.732 7.512 -17.642 1.00 5.51 H new ATOM 0 HB3 ALA A 1 7.189 7.616 -16.763 1.00 5.51 H new ATOM 11 N PRO A 2 8.950 6.525 -13.239 1.00 1.92 N ATOM 12 CA PRO A 2 8.569 6.889 -11.889 1.00 1.20 C ATOM 13 C PRO A 2 8.714 8.397 -11.703 1.00 0.91 C ATOM 14 O PRO A 2 9.631 9.011 -12.243 1.00 1.08 O ATOM 15 CB PRO A 2 9.499 6.085 -10.977 1.00 0.93 C ATOM 16 CG PRO A 2 10.768 5.930 -11.815 1.00 1.33 C ATOM 17 CD PRO A 2 10.258 5.894 -13.258 1.00 1.90 C ATOM 0 HA PRO A 2 7.528 6.661 -11.658 1.00 1.20 H new ATOM 0 HB2 PRO A 2 9.696 6.609 -10.042 1.00 0.93 H new ATOM 0 HB3 PRO A 2 9.069 5.118 -10.716 1.00 0.93 H new ATOM 0 HG2 PRO A 2 11.455 6.761 -11.655 1.00 1.33 H new ATOM 0 HG3 PRO A 2 11.306 5.017 -11.559 1.00 1.33 H new ATOM 0 HD2 PRO A 2 10.937 6.425 -13.925 1.00 1.90 H new ATOM 0 HD3 PRO A 2 10.191 4.869 -13.622 1.00 1.90 H new ATOM 25 N ALA A 3 7.785 8.994 -10.957 1.00 0.84 N ATOM 26 CA ALA A 3 7.792 10.404 -10.603 1.00 0.84 C ATOM 27 C ALA A 3 6.901 10.566 -9.377 1.00 0.89 C ATOM 28 O ALA A 3 5.928 9.823 -9.238 1.00 1.00 O ATOM 29 CB ALA A 3 7.243 11.243 -11.761 1.00 0.99 C ATOM 0 H ALA A 3 6.985 8.491 -10.573 1.00 0.84 H new ATOM 0 HA ALA A 3 8.807 10.742 -10.394 1.00 0.84 H new ATOM 0 HB1 ALA A 3 7.253 12.297 -11.484 1.00 0.99 H new ATOM 0 HB2 ALA A 3 7.864 11.094 -12.644 1.00 0.99 H new ATOM 0 HB3 ALA A 3 6.220 10.936 -11.980 1.00 0.99 H new ATOM 35 N TYR A 4 7.224 11.518 -8.503 1.00 0.98 N ATOM 36 CA TYR A 4 6.543 11.701 -7.229 1.00 1.13 C ATOM 37 C TYR A 4 5.307 12.567 -7.458 1.00 0.99 C ATOM 38 O TYR A 4 5.396 13.586 -8.138 1.00 1.07 O ATOM 39 CB TYR A 4 7.492 12.393 -6.234 1.00 1.38 C ATOM 40 CG TYR A 4 8.954 12.009 -6.380 1.00 1.55 C ATOM 41 CD1 TYR A 4 9.360 10.684 -6.140 1.00 1.54 C ATOM 42 CD2 TYR A 4 9.895 12.965 -6.810 1.00 2.50 C ATOM 43 CE1 TYR A 4 10.702 10.306 -6.336 1.00 2.21 C ATOM 44 CE2 TYR A 4 11.237 12.596 -7.006 1.00 3.05 C ATOM 45 CZ TYR A 4 11.646 11.262 -6.775 1.00 2.82 C ATOM 46 OH TYR A 4 12.946 10.914 -6.994 1.00 3.58 O ATOM 0 H TYR A 4 7.975 12.190 -8.664 1.00 0.98 H new ATOM 0 HA TYR A 4 6.246 10.736 -6.819 1.00 1.13 H new ATOM 0 HB2 TYR A 4 7.400 13.472 -6.356 1.00 1.38 H new ATOM 0 HB3 TYR A 4 7.168 12.158 -5.220 1.00 1.38 H new ATOM 0 HD1 TYR A 4 8.639 9.953 -5.804 1.00 1.54 H new ATOM 0 HD2 TYR A 4 9.585 13.984 -6.989 1.00 2.50 H new ATOM 0 HE1 TYR A 4 11.010 9.287 -6.151 1.00 2.21 H new ATOM 0 HE2 TYR A 4 11.957 13.332 -7.333 1.00 3.05 H new ATOM 0 HH TYR A 4 13.449 11.700 -7.293 1.00 3.58 H new ATOM 56 N THR A 5 4.153 12.193 -6.902 1.00 0.83 N ATOM 57 CA THR A 5 2.924 12.960 -7.067 1.00 0.79 C ATOM 58 C THR A 5 2.022 12.733 -5.857 1.00 0.69 C ATOM 59 O THR A 5 2.293 11.848 -5.049 1.00 0.66 O ATOM 60 CB THR A 5 2.193 12.567 -8.365 1.00 0.83 C ATOM 61 OG1 THR A 5 2.358 11.202 -8.694 1.00 1.14 O ATOM 62 CG2 THR A 5 2.622 13.419 -9.559 1.00 1.62 C ATOM 0 H THR A 5 4.048 11.356 -6.329 1.00 0.83 H new ATOM 0 HA THR A 5 3.177 14.018 -7.139 1.00 0.79 H new ATOM 0 HB THR A 5 1.139 12.752 -8.158 1.00 0.83 H new ATOM 0 HG1 THR A 5 1.874 11.005 -9.523 1.00 1.14 H new ATOM 0 HG21 THR A 5 2.077 13.101 -10.448 1.00 1.62 H new ATOM 0 HG22 THR A 5 2.403 14.467 -9.355 1.00 1.62 H new ATOM 0 HG23 THR A 5 3.692 13.298 -9.727 1.00 1.62 H new ATOM 70 N VAL A 6 0.947 13.519 -5.746 1.00 0.69 N ATOM 71 CA VAL A 6 -0.028 13.455 -4.669 1.00 0.67 C ATOM 72 C VAL A 6 -1.430 13.532 -5.250 1.00 0.63 C ATOM 73 O VAL A 6 -1.653 14.246 -6.230 1.00 0.64 O ATOM 74 CB VAL A 6 0.210 14.598 -3.666 1.00 0.77 C ATOM 75 CG1 VAL A 6 -0.674 14.444 -2.433 1.00 2.02 C ATOM 76 CG2 VAL A 6 1.658 14.644 -3.194 1.00 2.34 C ATOM 0 H VAL A 6 0.730 14.242 -6.432 1.00 0.69 H new ATOM 0 HA VAL A 6 0.082 12.510 -4.137 1.00 0.67 H new ATOM 0 HB VAL A 6 -0.035 15.519 -4.195 1.00 0.77 H new ATOM 0 HG11 VAL A 6 -0.483 15.266 -1.743 1.00 2.02 H new ATOM 0 HG12 VAL A 6 -1.722 14.458 -2.733 1.00 2.02 H new ATOM 0 HG13 VAL A 6 -0.450 13.498 -1.940 1.00 2.02 H new ATOM 0 HG21 VAL A 6 1.784 15.464 -2.487 1.00 2.34 H new ATOM 0 HG22 VAL A 6 1.912 13.703 -2.706 1.00 2.34 H new ATOM 0 HG23 VAL A 6 2.315 14.798 -4.050 1.00 2.34 H new ATOM 86 N LYS A 7 -2.374 12.813 -4.637 1.00 0.67 N ATOM 87 CA LYS A 7 -3.775 12.851 -5.009 1.00 0.70 C ATOM 88 C LYS A 7 -4.624 12.860 -3.732 1.00 0.84 C ATOM 89 O LYS A 7 -4.432 12.009 -2.865 1.00 0.94 O ATOM 90 CB LYS A 7 -4.059 11.605 -5.856 1.00 0.78 C ATOM 91 CG LYS A 7 -5.237 11.817 -6.815 1.00 1.14 C ATOM 92 CD LYS A 7 -4.809 11.980 -8.285 1.00 1.17 C ATOM 93 CE LYS A 7 -5.166 13.370 -8.819 1.00 2.29 C ATOM 94 NZ LYS A 7 -4.920 13.466 -10.274 1.00 2.64 N ATOM 0 H LYS A 7 -2.176 12.183 -3.860 1.00 0.67 H new ATOM 0 HA LYS A 7 -4.019 13.744 -5.584 1.00 0.70 H new ATOM 0 HB2 LYS A 7 -3.168 11.345 -6.428 1.00 0.78 H new ATOM 0 HB3 LYS A 7 -4.273 10.762 -5.199 1.00 0.78 H new ATOM 0 HG2 LYS A 7 -5.918 10.970 -6.735 1.00 1.14 H new ATOM 0 HG3 LYS A 7 -5.792 12.703 -6.506 1.00 1.14 H new ATOM 0 HD2 LYS A 7 -3.734 11.820 -8.373 1.00 1.17 H new ATOM 0 HD3 LYS A 7 -5.296 11.218 -8.894 1.00 1.17 H new ATOM 0 HE2 LYS A 7 -6.214 13.584 -8.610 1.00 2.29 H new ATOM 0 HE3 LYS A 7 -4.577 14.125 -8.298 1.00 2.29 H new ATOM 0 HZ1 LYS A 7 -5.171 14.419 -10.606 1.00 2.64 H new ATOM 0 HZ2 LYS A 7 -3.915 13.285 -10.469 1.00 2.64 H new ATOM 0 HZ3 LYS A 7 -5.501 12.761 -10.772 1.00 2.64 H new ATOM 108 N ARG A 8 -5.566 13.801 -3.599 1.00 0.94 N ATOM 109 CA ARG A 8 -6.504 13.818 -2.482 1.00 0.96 C ATOM 110 C ARG A 8 -7.753 13.042 -2.886 1.00 0.89 C ATOM 111 O ARG A 8 -8.597 13.592 -3.590 1.00 1.03 O ATOM 112 CB ARG A 8 -6.874 15.271 -2.146 1.00 1.18 C ATOM 113 CG ARG A 8 -7.727 15.334 -0.871 1.00 1.73 C ATOM 114 CD ARG A 8 -8.624 16.573 -0.876 1.00 2.27 C ATOM 115 NE ARG A 8 -9.650 16.511 -1.931 1.00 2.90 N ATOM 116 CZ ARG A 8 -10.758 15.753 -1.929 1.00 4.45 C ATOM 117 NH1 ARG A 8 -11.600 15.800 -2.961 1.00 5.30 N ATOM 118 NH2 ARG A 8 -11.038 14.959 -0.894 1.00 5.75 N ATOM 0 H ARG A 8 -5.695 14.566 -4.261 1.00 0.94 H new ATOM 0 HA ARG A 8 -6.053 13.358 -1.603 1.00 0.96 H new ATOM 0 HB2 ARG A 8 -5.967 15.861 -2.012 1.00 1.18 H new ATOM 0 HB3 ARG A 8 -7.422 15.714 -2.978 1.00 1.18 H new ATOM 0 HG2 ARG A 8 -8.340 14.436 -0.794 1.00 1.73 H new ATOM 0 HG3 ARG A 8 -7.078 15.353 0.005 1.00 1.73 H new ATOM 0 HD2 ARG A 8 -9.109 16.673 0.095 1.00 2.27 H new ATOM 0 HD3 ARG A 8 -8.011 17.463 -1.019 1.00 2.27 H new ATOM 0 HE ARG A 8 -9.504 17.105 -2.747 1.00 2.90 H new ATOM 0 HH11 ARG A 8 -11.403 16.412 -3.753 1.00 5.30 H new ATOM 0 HH12 ARG A 8 -12.442 15.224 -2.959 1.00 5.30 H new ATOM 0 HH21 ARG A 8 -10.407 14.924 -0.093 1.00 5.75 H new ATOM 0 HH22 ARG A 8 -11.883 14.388 -0.904 1.00 5.75 H new ATOM 132 N ALA A 9 -7.888 11.797 -2.430 1.00 0.80 N ATOM 133 CA ALA A 9 -9.011 10.918 -2.742 1.00 0.80 C ATOM 134 C ALA A 9 -8.771 9.572 -2.067 1.00 0.74 C ATOM 135 O ALA A 9 -7.622 9.165 -1.907 1.00 0.81 O ATOM 136 CB ALA A 9 -9.126 10.679 -4.255 1.00 0.84 C ATOM 0 H ALA A 9 -7.199 11.361 -1.817 1.00 0.80 H new ATOM 0 HA ALA A 9 -9.929 11.388 -2.388 1.00 0.80 H new ATOM 0 HB1 ALA A 9 -9.971 10.021 -4.456 1.00 0.84 H new ATOM 0 HB2 ALA A 9 -9.279 11.631 -4.763 1.00 0.84 H new ATOM 0 HB3 ALA A 9 -8.210 10.215 -4.621 1.00 0.84 H new ATOM 142 N ASP A 10 -9.845 8.860 -1.726 1.00 0.83 N ATOM 143 CA ASP A 10 -9.742 7.522 -1.170 1.00 0.84 C ATOM 144 C ASP A 10 -9.142 6.561 -2.192 1.00 0.68 C ATOM 145 O ASP A 10 -9.472 6.594 -3.381 1.00 0.77 O ATOM 146 CB ASP A 10 -11.124 7.007 -0.757 1.00 1.13 C ATOM 147 CG ASP A 10 -11.703 7.846 0.374 1.00 2.35 C ATOM 148 OD1 ASP A 10 -11.568 7.408 1.538 1.00 3.13 O ATOM 149 OD2 ASP A 10 -12.251 8.920 0.039 1.00 3.42 O ATOM 0 H ASP A 10 -10.802 9.197 -1.829 1.00 0.83 H new ATOM 0 HA ASP A 10 -9.094 7.572 -0.295 1.00 0.84 H new ATOM 0 HB2 ASP A 10 -11.797 7.032 -1.614 1.00 1.13 H new ATOM 0 HB3 ASP A 10 -11.049 5.966 -0.441 1.00 1.13 H new ATOM 154 N ILE A 11 -8.297 5.646 -1.713 1.00 0.63 N ATOM 155 CA ILE A 11 -7.807 4.541 -2.518 1.00 0.76 C ATOM 156 C ILE A 11 -8.998 3.633 -2.849 1.00 1.16 C ATOM 157 O ILE A 11 -9.433 2.810 -2.050 1.00 1.82 O ATOM 158 CB ILE A 11 -6.597 3.878 -1.813 1.00 0.82 C ATOM 159 CG1 ILE A 11 -5.311 4.352 -2.507 1.00 1.07 C ATOM 160 CG2 ILE A 11 -6.601 2.346 -1.713 1.00 1.50 C ATOM 161 CD1 ILE A 11 -5.049 3.638 -3.831 1.00 0.75 C ATOM 0 H ILE A 11 -7.938 5.656 -0.758 1.00 0.63 H new ATOM 0 HA ILE A 11 -7.403 4.855 -3.480 1.00 0.76 H new ATOM 0 HB ILE A 11 -6.663 4.201 -0.774 1.00 0.82 H new ATOM 0 HG12 ILE A 11 -5.376 5.425 -2.686 1.00 1.07 H new ATOM 0 HG13 ILE A 11 -4.464 4.191 -1.840 1.00 1.07 H new ATOM 0 HG21 ILE A 11 -5.700 2.013 -1.199 1.00 1.50 H new ATOM 0 HG22 ILE A 11 -7.479 2.020 -1.155 1.00 1.50 H new ATOM 0 HG23 ILE A 11 -6.627 1.916 -2.714 1.00 1.50 H new ATOM 0 HD11 ILE A 11 -4.127 4.016 -4.272 1.00 0.75 H new ATOM 0 HD12 ILE A 11 -4.954 2.567 -3.654 1.00 0.75 H new ATOM 0 HD13 ILE A 11 -5.879 3.820 -4.513 1.00 0.75 H new ATOM 173 N ALA A 12 -9.563 3.851 -4.036 1.00 0.88 N ATOM 174 CA ALA A 12 -10.659 3.110 -4.644 1.00 1.24 C ATOM 175 C ALA A 12 -10.721 3.445 -6.126 1.00 1.01 C ATOM 176 O ALA A 12 -10.779 2.558 -6.971 1.00 1.21 O ATOM 177 CB ALA A 12 -11.993 3.500 -4.002 1.00 1.67 C ATOM 0 H ALA A 12 -9.240 4.607 -4.640 1.00 0.88 H new ATOM 0 HA ALA A 12 -10.486 2.044 -4.495 1.00 1.24 H new ATOM 0 HB1 ALA A 12 -12.800 2.936 -4.469 1.00 1.67 H new ATOM 0 HB2 ALA A 12 -11.963 3.275 -2.936 1.00 1.67 H new ATOM 0 HB3 ALA A 12 -12.167 4.567 -4.143 1.00 1.67 H new ATOM 183 N THR A 13 -10.755 4.738 -6.447 1.00 0.95 N ATOM 184 CA THR A 13 -10.986 5.200 -7.806 1.00 1.04 C ATOM 185 C THR A 13 -9.710 5.826 -8.354 1.00 0.95 C ATOM 186 O THR A 13 -9.744 6.873 -8.992 1.00 1.29 O ATOM 187 CB THR A 13 -12.215 6.120 -7.818 1.00 1.32 C ATOM 188 OG1 THR A 13 -12.561 6.455 -9.139 1.00 1.85 O ATOM 189 CG2 THR A 13 -12.075 7.390 -6.975 1.00 1.37 C ATOM 0 H THR A 13 -10.623 5.490 -5.770 1.00 0.95 H new ATOM 0 HA THR A 13 -11.219 4.376 -8.481 1.00 1.04 H new ATOM 0 HB THR A 13 -13.011 5.542 -7.348 1.00 1.32 H new ATOM 0 HG1 THR A 13 -11.758 6.733 -9.627 1.00 1.85 H new ATOM 0 HG21 THR A 13 -12.991 7.976 -7.045 1.00 1.37 H new ATOM 0 HG22 THR A 13 -11.897 7.118 -5.935 1.00 1.37 H new ATOM 0 HG23 THR A 13 -11.237 7.981 -7.344 1.00 1.37 H new ATOM 197 N ALA A 14 -8.585 5.144 -8.129 1.00 0.68 N ATOM 198 CA ALA A 14 -7.277 5.594 -8.574 1.00 0.71 C ATOM 199 C ALA A 14 -7.185 5.699 -10.095 1.00 0.94 C ATOM 200 O ALA A 14 -6.355 6.451 -10.584 1.00 2.67 O ATOM 201 CB ALA A 14 -6.212 4.630 -8.056 1.00 0.67 C ATOM 0 H ALA A 14 -8.563 4.256 -7.627 1.00 0.68 H new ATOM 0 HA ALA A 14 -7.114 6.594 -8.172 1.00 0.71 H new ATOM 0 HB1 ALA A 14 -5.228 4.963 -8.387 1.00 0.67 H new ATOM 0 HB2 ALA A 14 -6.240 4.608 -6.967 1.00 0.67 H new ATOM 0 HB3 ALA A 14 -6.406 3.630 -8.444 1.00 0.67 H new ATOM 207 N ILE A 15 -7.991 4.916 -10.828 1.00 1.08 N ATOM 208 CA ILE A 15 -8.000 4.793 -12.291 1.00 1.13 C ATOM 209 C ILE A 15 -6.605 4.624 -12.908 1.00 0.91 C ATOM 210 O ILE A 15 -6.417 4.864 -14.099 1.00 1.09 O ATOM 211 CB ILE A 15 -8.850 5.907 -12.948 1.00 1.59 C ATOM 212 CG1 ILE A 15 -8.396 7.358 -12.692 1.00 1.85 C ATOM 213 CG2 ILE A 15 -10.297 5.781 -12.449 1.00 1.91 C ATOM 214 CD1 ILE A 15 -7.111 7.770 -13.419 1.00 1.91 C ATOM 0 H ILE A 15 -8.693 4.319 -10.390 1.00 1.08 H new ATOM 0 HA ILE A 15 -8.497 3.851 -12.522 1.00 1.13 H new ATOM 0 HB ILE A 15 -8.735 5.744 -14.020 1.00 1.59 H new ATOM 0 HG12 ILE A 15 -9.198 8.032 -12.992 1.00 1.85 H new ATOM 0 HG13 ILE A 15 -8.249 7.494 -11.620 1.00 1.85 H new ATOM 0 HG21 ILE A 15 -10.908 6.560 -12.904 1.00 1.91 H new ATOM 0 HG22 ILE A 15 -10.693 4.803 -12.723 1.00 1.91 H new ATOM 0 HG23 ILE A 15 -10.319 5.890 -11.365 1.00 1.91 H new ATOM 0 HD11 ILE A 15 -6.872 8.806 -13.177 1.00 1.91 H new ATOM 0 HD12 ILE A 15 -6.291 7.125 -13.102 1.00 1.91 H new ATOM 0 HD13 ILE A 15 -7.255 7.672 -14.495 1.00 1.91 H new ATOM 226 N GLU A 16 -5.639 4.164 -12.115 1.00 0.65 N ATOM 227 CA GLU A 16 -4.287 3.900 -12.578 1.00 0.60 C ATOM 228 C GLU A 16 -4.228 2.463 -13.127 1.00 0.57 C ATOM 229 O GLU A 16 -5.143 1.677 -12.885 1.00 0.62 O ATOM 230 CB GLU A 16 -3.309 4.120 -11.407 1.00 0.56 C ATOM 231 CG GLU A 16 -2.456 5.397 -11.525 1.00 0.62 C ATOM 232 CD GLU A 16 -3.068 6.700 -10.983 1.00 1.03 C ATOM 233 OE1 GLU A 16 -3.177 6.839 -9.739 1.00 1.85 O ATOM 234 OE2 GLU A 16 -3.262 7.620 -11.808 1.00 2.32 O ATOM 0 H GLU A 16 -5.779 3.964 -11.125 1.00 0.65 H new ATOM 0 HA GLU A 16 -4.000 4.578 -13.382 1.00 0.60 H new ATOM 0 HB2 GLU A 16 -3.877 4.161 -10.478 1.00 0.56 H new ATOM 0 HB3 GLU A 16 -2.645 3.259 -11.337 1.00 0.56 H new ATOM 0 HG2 GLU A 16 -1.514 5.224 -11.005 1.00 0.62 H new ATOM 0 HG3 GLU A 16 -2.216 5.548 -12.578 1.00 0.62 H new ATOM 241 N ASP A 17 -3.148 2.101 -13.837 1.00 0.64 N ATOM 242 CA ASP A 17 -2.947 0.748 -14.384 1.00 0.69 C ATOM 243 C ASP A 17 -3.032 -0.294 -13.273 1.00 0.66 C ATOM 244 O ASP A 17 -3.502 -1.416 -13.473 1.00 0.79 O ATOM 245 CB ASP A 17 -1.547 0.613 -15.001 1.00 0.80 C ATOM 246 CG ASP A 17 -1.422 0.915 -16.482 1.00 1.00 C ATOM 247 OD1 ASP A 17 -2.459 1.078 -17.160 1.00 1.81 O ATOM 248 OD2 ASP A 17 -0.242 0.969 -16.899 1.00 1.87 O ATOM 0 H ASP A 17 -2.384 2.742 -14.050 1.00 0.64 H new ATOM 0 HA ASP A 17 -3.721 0.589 -15.135 1.00 0.69 H new ATOM 0 HB2 ASP A 17 -0.872 1.276 -14.461 1.00 0.80 H new ATOM 0 HB3 ASP A 17 -1.197 -0.405 -14.831 1.00 0.80 H new ATOM 253 N ALA A 18 -2.504 0.067 -12.105 1.00 0.62 N ATOM 254 CA ALA A 18 -2.561 -0.763 -10.927 1.00 0.53 C ATOM 255 C ALA A 18 -2.833 0.106 -9.718 1.00 0.44 C ATOM 256 O ALA A 18 -2.648 1.323 -9.730 1.00 0.43 O ATOM 257 CB ALA A 18 -1.240 -1.505 -10.754 1.00 0.50 C ATOM 0 H ALA A 18 -2.022 0.954 -11.960 1.00 0.62 H new ATOM 0 HA ALA A 18 -3.362 -1.495 -11.032 1.00 0.53 H new ATOM 0 HB1 ALA A 18 -1.288 -2.131 -9.863 1.00 0.50 H new ATOM 0 HB2 ALA A 18 -1.057 -2.131 -11.627 1.00 0.50 H new ATOM 0 HB3 ALA A 18 -0.429 -0.784 -10.648 1.00 0.50 H new ATOM 263 N VAL A 19 -3.240 -0.537 -8.635 1.00 0.43 N ATOM 264 CA VAL A 19 -3.503 0.155 -7.397 1.00 0.49 C ATOM 265 C VAL A 19 -3.202 -0.832 -6.277 1.00 0.30 C ATOM 266 O VAL A 19 -3.434 -2.031 -6.428 1.00 0.52 O ATOM 267 CB VAL A 19 -4.935 0.716 -7.441 1.00 1.05 C ATOM 268 CG1 VAL A 19 -5.994 -0.290 -7.903 1.00 2.10 C ATOM 269 CG2 VAL A 19 -5.325 1.319 -6.098 1.00 2.33 C ATOM 0 H VAL A 19 -3.394 -1.544 -8.595 1.00 0.43 H new ATOM 0 HA VAL A 19 -2.873 1.028 -7.224 1.00 0.49 H new ATOM 0 HB VAL A 19 -4.914 1.497 -8.201 1.00 1.05 H new ATOM 0 HG11 VAL A 19 -6.974 0.188 -7.905 1.00 2.10 H new ATOM 0 HG12 VAL A 19 -5.756 -0.633 -8.910 1.00 2.10 H new ATOM 0 HG13 VAL A 19 -6.007 -1.142 -7.224 1.00 2.10 H new ATOM 0 HG21 VAL A 19 -6.341 1.709 -6.155 1.00 2.33 H new ATOM 0 HG22 VAL A 19 -5.274 0.551 -5.326 1.00 2.33 H new ATOM 0 HG23 VAL A 19 -4.639 2.129 -5.850 1.00 2.33 H new ATOM 279 N VAL A 20 -2.628 -0.352 -5.178 1.00 0.25 N ATOM 280 CA VAL A 20 -2.259 -1.204 -4.055 1.00 0.44 C ATOM 281 C VAL A 20 -3.090 -0.799 -2.842 1.00 0.37 C ATOM 282 O VAL A 20 -3.540 0.341 -2.738 1.00 0.36 O ATOM 283 CB VAL A 20 -0.739 -1.134 -3.816 1.00 0.65 C ATOM 284 CG1 VAL A 20 -0.285 0.315 -3.782 1.00 2.01 C ATOM 285 CG2 VAL A 20 -0.257 -1.801 -2.519 1.00 2.68 C ATOM 0 H VAL A 20 -2.407 0.634 -5.042 1.00 0.25 H new ATOM 0 HA VAL A 20 -2.480 -2.251 -4.265 1.00 0.44 H new ATOM 0 HB VAL A 20 -0.302 -1.688 -4.647 1.00 0.65 H new ATOM 0 HG11 VAL A 20 0.791 0.355 -3.613 1.00 2.01 H new ATOM 0 HG12 VAL A 20 -0.521 0.793 -4.733 1.00 2.01 H new ATOM 0 HG13 VAL A 20 -0.799 0.839 -2.976 1.00 2.01 H new ATOM 0 HG21 VAL A 20 0.825 -1.700 -2.439 1.00 2.68 H new ATOM 0 HG22 VAL A 20 -0.731 -1.319 -1.664 1.00 2.68 H new ATOM 0 HG23 VAL A 20 -0.523 -2.858 -2.533 1.00 2.68 H new ATOM 295 N ASN A 21 -3.265 -1.724 -1.899 1.00 0.39 N ATOM 296 CA ASN A 21 -3.950 -1.461 -0.646 1.00 0.37 C ATOM 297 C ASN A 21 -2.997 -1.705 0.509 1.00 0.35 C ATOM 298 O ASN A 21 -2.112 -2.558 0.420 1.00 0.42 O ATOM 299 CB ASN A 21 -5.187 -2.356 -0.512 1.00 0.53 C ATOM 300 CG ASN A 21 -6.375 -1.718 -1.203 1.00 1.48 C ATOM 301 OD1 ASN A 21 -6.718 -2.078 -2.317 1.00 3.00 O ATOM 302 ND2 ASN A 21 -7.014 -0.751 -0.557 1.00 2.41 N ATOM 0 H ASN A 21 -2.930 -2.683 -1.990 1.00 0.39 H new ATOM 0 HA ASN A 21 -4.279 -0.422 -0.630 1.00 0.37 H new ATOM 0 HB2 ASN A 21 -4.986 -3.334 -0.949 1.00 0.53 H new ATOM 0 HB3 ASN A 21 -5.414 -2.518 0.542 1.00 0.53 H new ATOM 0 HD21 ASN A 21 -7.813 -0.289 -0.991 1.00 2.41 H new ATOM 0 HD22 ASN A 21 -6.706 -0.470 0.374 1.00 2.41 H new ATOM 309 N ALA A 22 -3.226 -0.981 1.608 1.00 0.38 N ATOM 310 CA ALA A 22 -2.602 -1.237 2.893 1.00 0.38 C ATOM 311 C ALA A 22 -3.267 -2.472 3.493 1.00 0.40 C ATOM 312 O ALA A 22 -4.084 -2.369 4.403 1.00 0.72 O ATOM 313 CB ALA A 22 -2.788 -0.008 3.791 1.00 0.44 C ATOM 0 H ALA A 22 -3.865 -0.186 1.621 1.00 0.38 H new ATOM 0 HA ALA A 22 -1.532 -1.419 2.792 1.00 0.38 H new ATOM 0 HB1 ALA A 22 -2.322 -0.191 4.759 1.00 0.44 H new ATOM 0 HB2 ALA A 22 -2.322 0.859 3.322 1.00 0.44 H new ATOM 0 HB3 ALA A 22 -3.852 0.183 3.931 1.00 0.44 H new ATOM 319 N ALA A 23 -2.960 -3.638 2.930 1.00 0.36 N ATOM 320 CA ALA A 23 -3.614 -4.875 3.289 1.00 0.41 C ATOM 321 C ALA A 23 -3.281 -5.222 4.734 1.00 0.53 C ATOM 322 O ALA A 23 -2.137 -5.107 5.165 1.00 0.86 O ATOM 323 CB ALA A 23 -3.173 -5.969 2.320 1.00 0.45 C ATOM 0 H ALA A 23 -2.246 -3.742 2.209 1.00 0.36 H new ATOM 0 HA ALA A 23 -4.697 -4.776 3.215 1.00 0.41 H new ATOM 0 HB1 ALA A 23 -3.662 -6.907 2.583 1.00 0.45 H new ATOM 0 HB2 ALA A 23 -3.450 -5.688 1.304 1.00 0.45 H new ATOM 0 HB3 ALA A 23 -2.092 -6.094 2.380 1.00 0.45 H new ATOM 329 N ASN A 24 -4.288 -5.650 5.492 1.00 0.74 N ATOM 330 CA ASN A 24 -4.141 -5.850 6.923 1.00 0.96 C ATOM 331 C ASN A 24 -3.062 -6.885 7.249 1.00 1.02 C ATOM 332 O ASN A 24 -2.142 -6.581 7.997 1.00 2.38 O ATOM 333 CB ASN A 24 -5.485 -6.274 7.516 1.00 1.15 C ATOM 334 CG ASN A 24 -6.511 -5.149 7.472 1.00 2.09 C ATOM 335 OD1 ASN A 24 -7.027 -4.824 6.412 1.00 3.45 O ATOM 336 ND2 ASN A 24 -6.834 -4.539 8.606 1.00 2.26 N ATOM 0 H ASN A 24 -5.218 -5.865 5.132 1.00 0.74 H new ATOM 0 HA ASN A 24 -3.823 -4.907 7.367 1.00 0.96 H new ATOM 0 HB2 ASN A 24 -5.868 -7.135 6.967 1.00 1.15 H new ATOM 0 HB3 ASN A 24 -5.341 -6.593 8.548 1.00 1.15 H new ATOM 0 HD21 ASN A 24 -7.522 -3.786 8.602 1.00 2.26 H new ATOM 0 HD22 ASN A 24 -6.394 -4.823 9.481 1.00 2.26 H new ATOM 343 N HIS A 25 -3.219 -8.111 6.740 1.00 0.94 N ATOM 344 CA HIS A 25 -2.433 -9.314 7.043 1.00 0.77 C ATOM 345 C HIS A 25 -3.356 -10.510 6.844 1.00 0.74 C ATOM 346 O HIS A 25 -4.535 -10.423 7.170 1.00 2.44 O ATOM 347 CB HIS A 25 -1.855 -9.296 8.473 1.00 1.01 C ATOM 348 CG HIS A 25 -1.513 -10.653 9.033 1.00 1.11 C ATOM 349 ND1 HIS A 25 -2.148 -11.258 10.094 1.00 1.67 N ATOM 350 CD2 HIS A 25 -0.554 -11.515 8.570 1.00 1.26 C ATOM 351 CE1 HIS A 25 -1.578 -12.463 10.269 1.00 1.86 C ATOM 352 NE2 HIS A 25 -0.616 -12.671 9.354 1.00 1.59 N ATOM 0 H HIS A 25 -3.951 -8.304 6.056 1.00 0.94 H new ATOM 0 HA HIS A 25 -1.570 -9.366 6.379 1.00 0.77 H new ATOM 0 HB2 HIS A 25 -0.957 -8.679 8.479 1.00 1.01 H new ATOM 0 HB3 HIS A 25 -2.576 -8.816 9.135 1.00 1.01 H new ATOM 0 HD2 HIS A 25 0.125 -11.335 7.750 1.00 1.26 H new ATOM 0 HE1 HIS A 25 -1.855 -13.167 11.039 1.00 1.86 H new ATOM 0 HE2 HIS A 25 -0.043 -13.509 9.251 1.00 1.59 H new ATOM 360 N ARG A 26 -2.849 -11.628 6.312 1.00 1.92 N ATOM 361 CA ARG A 26 -3.637 -12.853 6.157 1.00 2.33 C ATOM 362 C ARG A 26 -4.932 -12.659 5.353 1.00 2.32 C ATOM 363 O ARG A 26 -5.844 -13.472 5.463 1.00 3.69 O ATOM 364 CB ARG A 26 -3.920 -13.469 7.545 1.00 3.07 C ATOM 365 CG ARG A 26 -3.301 -14.863 7.664 1.00 3.58 C ATOM 366 CD ARG A 26 -3.806 -15.556 8.933 1.00 4.10 C ATOM 367 NE ARG A 26 -3.357 -16.957 8.982 1.00 4.61 N ATOM 368 CZ ARG A 26 -3.981 -17.953 9.624 1.00 5.21 C ATOM 369 NH1 ARG A 26 -3.536 -19.205 9.505 1.00 5.83 N ATOM 370 NH2 ARG A 26 -5.049 -17.701 10.382 1.00 5.49 N ATOM 0 H ARG A 26 -1.888 -11.708 5.979 1.00 1.92 H new ATOM 0 HA ARG A 26 -3.038 -13.545 5.566 1.00 2.33 H new ATOM 0 HB2 ARG A 26 -3.517 -12.821 8.323 1.00 3.07 H new ATOM 0 HB3 ARG A 26 -4.996 -13.530 7.707 1.00 3.07 H new ATOM 0 HG2 ARG A 26 -3.557 -15.459 6.788 1.00 3.58 H new ATOM 0 HG3 ARG A 26 -2.214 -14.786 7.690 1.00 3.58 H new ATOM 0 HD2 ARG A 26 -3.443 -15.023 9.812 1.00 4.10 H new ATOM 0 HD3 ARG A 26 -4.895 -15.518 8.964 1.00 4.10 H new ATOM 0 HE ARG A 26 -2.497 -17.189 8.485 1.00 4.61 H new ATOM 0 HH11 ARG A 26 -2.721 -19.404 8.925 1.00 5.83 H new ATOM 0 HH12 ARG A 26 -4.011 -19.964 9.994 1.00 5.83 H new ATOM 0 HH21 ARG A 26 -5.394 -16.746 10.475 1.00 5.49 H new ATOM 0 HH22 ARG A 26 -5.520 -18.463 10.869 1.00 5.49 H new ATOM 384 N GLY A 27 -5.015 -11.635 4.500 1.00 1.34 N ATOM 385 CA GLY A 27 -6.210 -11.407 3.698 1.00 1.35 C ATOM 386 C GLY A 27 -7.389 -10.946 4.555 1.00 1.62 C ATOM 387 O GLY A 27 -8.535 -11.057 4.133 1.00 1.94 O ATOM 0 H GLY A 27 -4.269 -10.955 4.350 1.00 1.34 H new ATOM 0 HA2 GLY A 27 -5.999 -10.656 2.936 1.00 1.35 H new ATOM 0 HA3 GLY A 27 -6.478 -12.325 3.175 1.00 1.35 H new ATOM 391 N GLN A 28 -7.113 -10.421 5.753 1.00 2.18 N ATOM 392 CA GLN A 28 -8.117 -9.836 6.625 1.00 2.78 C ATOM 393 C GLN A 28 -8.824 -8.692 5.913 1.00 2.28 C ATOM 394 O GLN A 28 -8.215 -7.969 5.125 1.00 2.55 O ATOM 395 CB GLN A 28 -7.460 -9.326 7.919 1.00 3.75 C ATOM 396 CG GLN A 28 -7.418 -10.405 9.002 1.00 4.56 C ATOM 397 CD GLN A 28 -8.800 -10.622 9.613 1.00 4.43 C ATOM 398 OE1 GLN A 28 -9.813 -10.229 9.044 1.00 4.03 O ATOM 399 NE2 GLN A 28 -8.865 -11.236 10.786 1.00 5.54 N ATOM 0 H GLN A 28 -6.171 -10.394 6.143 1.00 2.18 H new ATOM 0 HA GLN A 28 -8.851 -10.600 6.880 1.00 2.78 H new ATOM 0 HB2 GLN A 28 -6.446 -8.989 7.703 1.00 3.75 H new ATOM 0 HB3 GLN A 28 -8.011 -8.461 8.289 1.00 3.75 H new ATOM 0 HG2 GLN A 28 -7.055 -11.340 8.575 1.00 4.56 H new ATOM 0 HG3 GLN A 28 -6.713 -10.115 9.782 1.00 4.56 H new ATOM 0 HE21 GLN A 28 -8.011 -11.555 11.243 1.00 5.54 H new ATOM 0 HE22 GLN A 28 -9.769 -11.389 11.232 1.00 5.54 H new ATOM 408 N VAL A 29 -10.105 -8.510 6.234 1.00 2.37 N ATOM 409 CA VAL A 29 -10.937 -7.487 5.627 1.00 2.10 C ATOM 410 C VAL A 29 -11.627 -6.750 6.766 1.00 1.98 C ATOM 411 O VAL A 29 -12.670 -7.178 7.249 1.00 2.37 O ATOM 412 CB VAL A 29 -11.927 -8.113 4.628 1.00 2.53 C ATOM 413 CG1 VAL A 29 -12.638 -7.015 3.827 1.00 2.64 C ATOM 414 CG2 VAL A 29 -11.196 -9.048 3.657 1.00 3.85 C ATOM 0 H VAL A 29 -10.592 -9.076 6.929 1.00 2.37 H new ATOM 0 HA VAL A 29 -10.347 -6.780 5.044 1.00 2.10 H new ATOM 0 HB VAL A 29 -12.661 -8.686 5.194 1.00 2.53 H new ATOM 0 HG11 VAL A 29 -13.335 -7.471 3.124 1.00 2.64 H new ATOM 0 HG12 VAL A 29 -13.184 -6.363 4.509 1.00 2.64 H new ATOM 0 HG13 VAL A 29 -11.900 -6.430 3.278 1.00 2.64 H new ATOM 0 HG21 VAL A 29 -11.913 -9.480 2.959 1.00 3.85 H new ATOM 0 HG22 VAL A 29 -10.446 -8.483 3.103 1.00 3.85 H new ATOM 0 HG23 VAL A 29 -10.709 -9.846 4.217 1.00 3.85 H new ATOM 424 N GLY A 30 -11.009 -5.660 7.218 1.00 2.12 N ATOM 425 CA GLY A 30 -11.551 -4.837 8.282 1.00 2.38 C ATOM 426 C GLY A 30 -12.095 -3.542 7.694 1.00 2.10 C ATOM 427 O GLY A 30 -12.580 -3.518 6.562 1.00 2.61 O ATOM 0 H GLY A 30 -10.117 -5.328 6.852 1.00 2.12 H new ATOM 0 HA2 GLY A 30 -12.344 -5.373 8.804 1.00 2.38 H new ATOM 0 HA3 GLY A 30 -10.777 -4.618 9.017 1.00 2.38 H new ATOM 431 N ASP A 31 -12.001 -2.461 8.465 1.00 2.38 N ATOM 432 CA ASP A 31 -12.356 -1.130 7.998 1.00 2.91 C ATOM 433 C ASP A 31 -11.068 -0.377 7.651 1.00 2.32 C ATOM 434 O ASP A 31 -9.972 -0.900 7.867 1.00 2.38 O ATOM 435 CB ASP A 31 -13.188 -0.418 9.069 1.00 4.46 C ATOM 436 CG ASP A 31 -13.940 0.748 8.438 1.00 5.62 C ATOM 437 OD1 ASP A 31 -13.384 1.868 8.460 1.00 6.14 O ATOM 438 OD2 ASP A 31 -15.010 0.478 7.851 1.00 6.57 O ATOM 0 H ASP A 31 -11.676 -2.487 9.431 1.00 2.38 H new ATOM 0 HA ASP A 31 -12.970 -1.177 7.099 1.00 2.91 H new ATOM 0 HB2 ASP A 31 -13.892 -1.116 9.521 1.00 4.46 H new ATOM 0 HB3 ASP A 31 -12.540 -0.057 9.867 1.00 4.46 H new ATOM 443 N GLY A 32 -11.168 0.831 7.096 1.00 2.62 N ATOM 444 CA GLY A 32 -10.016 1.615 6.692 1.00 2.37 C ATOM 445 C GLY A 32 -9.798 1.512 5.186 1.00 1.90 C ATOM 446 O GLY A 32 -10.727 1.230 4.428 1.00 2.36 O ATOM 0 H GLY A 32 -12.061 1.291 6.916 1.00 2.62 H new ATOM 0 HA2 GLY A 32 -10.162 2.658 6.973 1.00 2.37 H new ATOM 0 HA3 GLY A 32 -9.128 1.265 7.218 1.00 2.37 H new ATOM 450 N VAL A 33 -8.566 1.768 4.736 1.00 1.74 N ATOM 451 CA VAL A 33 -8.236 1.904 3.321 1.00 1.79 C ATOM 452 C VAL A 33 -7.954 0.520 2.718 1.00 1.95 C ATOM 453 O VAL A 33 -6.859 0.208 2.250 1.00 3.17 O ATOM 454 CB VAL A 33 -7.087 2.918 3.162 1.00 2.19 C ATOM 455 CG1 VAL A 33 -6.826 3.249 1.690 1.00 2.71 C ATOM 456 CG2 VAL A 33 -7.454 4.239 3.860 1.00 2.50 C ATOM 0 H VAL A 33 -7.763 1.887 5.354 1.00 1.74 H new ATOM 0 HA VAL A 33 -9.076 2.306 2.755 1.00 1.79 H new ATOM 0 HB VAL A 33 -6.200 2.464 3.603 1.00 2.19 H new ATOM 0 HG11 VAL A 33 -6.009 3.967 1.618 1.00 2.71 H new ATOM 0 HG12 VAL A 33 -6.557 2.338 1.154 1.00 2.71 H new ATOM 0 HG13 VAL A 33 -7.726 3.677 1.248 1.00 2.71 H new ATOM 0 HG21 VAL A 33 -6.637 4.951 3.744 1.00 2.50 H new ATOM 0 HG22 VAL A 33 -8.359 4.648 3.411 1.00 2.50 H new ATOM 0 HG23 VAL A 33 -7.626 4.055 4.920 1.00 2.50 H new ATOM 466 N CYS A 34 -9.002 -0.301 2.701 1.00 1.48 N ATOM 467 CA CYS A 34 -9.037 -1.651 2.168 1.00 1.95 C ATOM 468 C CYS A 34 -10.390 -1.828 1.498 1.00 1.66 C ATOM 469 O CYS A 34 -10.474 -1.981 0.281 1.00 1.50 O ATOM 470 CB CYS A 34 -8.831 -2.668 3.299 1.00 2.57 C ATOM 471 SG CYS A 34 -7.129 -3.286 3.240 1.00 3.65 S ATOM 0 H CYS A 34 -9.904 -0.018 3.085 1.00 1.48 H new ATOM 0 HA CYS A 34 -8.239 -1.816 1.444 1.00 1.95 H new ATOM 0 HB2 CYS A 34 -9.028 -2.202 4.264 1.00 2.57 H new ATOM 0 HB3 CYS A 34 -9.535 -3.494 3.194 1.00 2.57 H new ATOM 0 HG CYS A 34 -6.862 -3.928 4.338 1.00 3.65 H new ATOM 477 N ARG A 35 -11.461 -1.758 2.293 1.00 1.72 N ATOM 478 CA ARG A 35 -12.819 -1.983 1.812 1.00 1.62 C ATOM 479 C ARG A 35 -13.200 -1.031 0.677 1.00 1.23 C ATOM 480 O ARG A 35 -14.043 -1.380 -0.144 1.00 1.10 O ATOM 481 CB ARG A 35 -13.791 -1.921 2.994 1.00 1.99 C ATOM 482 CG ARG A 35 -15.185 -2.445 2.628 1.00 2.73 C ATOM 483 CD ARG A 35 -15.942 -2.721 3.930 1.00 3.16 C ATOM 484 NE ARG A 35 -17.352 -3.061 3.695 1.00 4.12 N ATOM 485 CZ ARG A 35 -18.233 -3.297 4.677 1.00 4.72 C ATOM 486 NH1 ARG A 35 -19.514 -3.535 4.389 1.00 5.81 N ATOM 487 NH2 ARG A 35 -17.828 -3.290 5.947 1.00 4.73 N ATOM 0 H ARG A 35 -11.407 -1.543 3.289 1.00 1.72 H new ATOM 0 HA ARG A 35 -12.877 -2.979 1.374 1.00 1.62 H new ATOM 0 HB2 ARG A 35 -13.391 -2.506 3.822 1.00 1.99 H new ATOM 0 HB3 ARG A 35 -13.872 -0.891 3.342 1.00 1.99 H new ATOM 0 HG2 ARG A 35 -15.721 -1.713 2.023 1.00 2.73 H new ATOM 0 HG3 ARG A 35 -15.106 -3.355 2.032 1.00 2.73 H new ATOM 0 HD2 ARG A 35 -15.457 -3.539 4.463 1.00 3.16 H new ATOM 0 HD3 ARG A 35 -15.885 -1.843 4.574 1.00 3.16 H new ATOM 0 HE ARG A 35 -17.679 -3.121 2.731 1.00 4.12 H new ATOM 0 HH11 ARG A 35 -19.826 -3.538 3.418 1.00 5.81 H new ATOM 0 HH12 ARG A 35 -20.181 -3.714 5.140 1.00 5.81 H new ATOM 0 HH21 ARG A 35 -16.850 -3.105 6.169 1.00 4.73 H new ATOM 0 HH22 ARG A 35 -18.496 -3.469 6.696 1.00 4.73 H new ATOM 501 N ALA A 36 -12.574 0.146 0.612 1.00 1.17 N ATOM 502 CA ALA A 36 -12.715 1.092 -0.484 1.00 0.99 C ATOM 503 C ALA A 36 -12.463 0.406 -1.832 1.00 0.73 C ATOM 504 O ALA A 36 -13.366 0.335 -2.666 1.00 0.75 O ATOM 505 CB ALA A 36 -11.773 2.275 -0.232 1.00 1.10 C ATOM 0 H ALA A 36 -11.940 0.471 1.342 1.00 1.17 H new ATOM 0 HA ALA A 36 -13.736 1.472 -0.529 1.00 0.99 H new ATOM 0 HB1 ALA A 36 -11.867 2.994 -1.046 1.00 1.10 H new ATOM 0 HB2 ALA A 36 -12.037 2.756 0.710 1.00 1.10 H new ATOM 0 HB3 ALA A 36 -10.745 1.917 -0.181 1.00 1.10 H new ATOM 511 N VAL A 37 -11.261 -0.129 -2.066 1.00 0.76 N ATOM 512 CA VAL A 37 -11.024 -0.876 -3.296 1.00 0.87 C ATOM 513 C VAL A 37 -11.868 -2.142 -3.313 1.00 0.88 C ATOM 514 O VAL A 37 -12.404 -2.483 -4.361 1.00 0.93 O ATOM 515 CB VAL A 37 -9.547 -1.225 -3.507 1.00 1.30 C ATOM 516 CG1 VAL A 37 -9.425 -2.118 -4.739 1.00 1.60 C ATOM 517 CG2 VAL A 37 -8.712 0.023 -3.793 1.00 1.50 C ATOM 0 H VAL A 37 -10.460 -0.060 -1.438 1.00 0.76 H new ATOM 0 HA VAL A 37 -11.317 -0.226 -4.120 1.00 0.87 H new ATOM 0 HB VAL A 37 -9.189 -1.712 -2.600 1.00 1.30 H new ATOM 0 HG11 VAL A 37 -8.378 -2.374 -4.901 1.00 1.60 H new ATOM 0 HG12 VAL A 37 -10.002 -3.030 -4.586 1.00 1.60 H new ATOM 0 HG13 VAL A 37 -9.808 -1.589 -5.611 1.00 1.60 H new ATOM 0 HG21 VAL A 37 -7.670 -0.262 -3.937 1.00 1.50 H new ATOM 0 HG22 VAL A 37 -9.083 0.510 -4.694 1.00 1.50 H new ATOM 0 HG23 VAL A 37 -8.787 0.712 -2.951 1.00 1.50 H new ATOM 527 N ALA A 38 -12.010 -2.851 -2.189 1.00 0.98 N ATOM 528 CA ALA A 38 -12.763 -4.099 -2.181 1.00 1.15 C ATOM 529 C ALA A 38 -14.195 -3.906 -2.692 1.00 1.19 C ATOM 530 O ALA A 38 -14.788 -4.841 -3.211 1.00 1.89 O ATOM 531 CB ALA A 38 -12.770 -4.725 -0.787 1.00 1.31 C ATOM 0 H ALA A 38 -11.618 -2.583 -1.286 1.00 0.98 H new ATOM 0 HA ALA A 38 -12.259 -4.782 -2.865 1.00 1.15 H new ATOM 0 HB1 ALA A 38 -13.338 -5.655 -0.809 1.00 1.31 H new ATOM 0 HB2 ALA A 38 -11.746 -4.933 -0.476 1.00 1.31 H new ATOM 0 HB3 ALA A 38 -13.231 -4.035 -0.080 1.00 1.31 H new ATOM 537 N ARG A 39 -14.776 -2.710 -2.569 1.00 0.91 N ATOM 538 CA ARG A 39 -16.082 -2.429 -3.156 1.00 1.01 C ATOM 539 C ARG A 39 -16.032 -2.481 -4.682 1.00 1.08 C ATOM 540 O ARG A 39 -16.976 -2.968 -5.292 1.00 1.48 O ATOM 541 CB ARG A 39 -16.595 -1.073 -2.665 1.00 1.10 C ATOM 542 CG ARG A 39 -17.296 -1.198 -1.307 1.00 1.35 C ATOM 543 CD ARG A 39 -18.661 -1.888 -1.462 1.00 2.49 C ATOM 544 NE ARG A 39 -19.726 -1.183 -0.729 1.00 2.28 N ATOM 545 CZ ARG A 39 -20.252 0.001 -1.078 1.00 2.55 C ATOM 546 NH1 ARG A 39 -21.193 0.567 -0.322 1.00 2.45 N ATOM 547 NH2 ARG A 39 -19.831 0.621 -2.180 1.00 3.59 N ATOM 0 H ARG A 39 -14.361 -1.924 -2.069 1.00 0.91 H new ATOM 0 HA ARG A 39 -16.778 -3.203 -2.832 1.00 1.01 H new ATOM 0 HB2 ARG A 39 -15.762 -0.375 -2.583 1.00 1.10 H new ATOM 0 HB3 ARG A 39 -17.288 -0.658 -3.397 1.00 1.10 H new ATOM 0 HG2 ARG A 39 -16.670 -1.768 -0.620 1.00 1.35 H new ATOM 0 HG3 ARG A 39 -17.430 -0.209 -0.869 1.00 1.35 H new ATOM 0 HD2 ARG A 39 -18.922 -1.940 -2.519 1.00 2.49 H new ATOM 0 HD3 ARG A 39 -18.591 -2.914 -1.100 1.00 2.49 H new ATOM 0 HE ARG A 39 -20.093 -1.630 0.111 1.00 2.28 H new ATOM 0 HH11 ARG A 39 -21.516 0.100 0.525 1.00 2.45 H new ATOM 0 HH12 ARG A 39 -21.590 1.467 -0.591 1.00 2.45 H new ATOM 0 HH21 ARG A 39 -19.108 0.196 -2.760 1.00 3.59 H new ATOM 0 HH22 ARG A 39 -20.232 1.521 -2.444 1.00 3.59 H new ATOM 561 N LYS A 40 -14.978 -1.951 -5.310 1.00 0.94 N ATOM 562 CA LYS A 40 -14.807 -2.072 -6.757 1.00 1.02 C ATOM 563 C LYS A 40 -14.532 -3.531 -7.135 1.00 0.87 C ATOM 564 O LYS A 40 -15.155 -4.053 -8.055 1.00 1.10 O ATOM 565 CB LYS A 40 -13.664 -1.172 -7.271 1.00 1.21 C ATOM 566 CG LYS A 40 -14.123 0.157 -7.888 1.00 1.59 C ATOM 567 CD LYS A 40 -14.120 1.351 -6.930 1.00 1.56 C ATOM 568 CE LYS A 40 -14.297 2.610 -7.792 1.00 2.44 C ATOM 569 NZ LYS A 40 -14.944 3.727 -7.070 1.00 2.92 N ATOM 0 H LYS A 40 -14.234 -1.436 -4.839 1.00 0.94 H new ATOM 0 HA LYS A 40 -15.732 -1.742 -7.229 1.00 1.02 H new ATOM 0 HB2 LYS A 40 -12.988 -0.958 -6.443 1.00 1.21 H new ATOM 0 HB3 LYS A 40 -13.092 -1.725 -8.016 1.00 1.21 H new ATOM 0 HG2 LYS A 40 -13.478 0.389 -8.735 1.00 1.59 H new ATOM 0 HG3 LYS A 40 -15.131 0.029 -8.281 1.00 1.59 H new ATOM 0 HD2 LYS A 40 -14.926 1.264 -6.201 1.00 1.56 H new ATOM 0 HD3 LYS A 40 -13.187 1.394 -6.369 1.00 1.56 H new ATOM 0 HE2 LYS A 40 -13.321 2.936 -8.152 1.00 2.44 H new ATOM 0 HE3 LYS A 40 -14.893 2.360 -8.670 1.00 2.44 H new ATOM 0 HZ1 LYS A 40 -15.034 4.545 -7.706 1.00 2.92 H new ATOM 0 HZ2 LYS A 40 -15.888 3.432 -6.749 1.00 2.92 H new ATOM 0 HZ3 LYS A 40 -14.365 3.990 -6.247 1.00 2.92 H new ATOM 583 N TRP A 41 -13.573 -4.175 -6.469 1.00 0.84 N ATOM 584 CA TRP A 41 -13.022 -5.456 -6.886 1.00 0.91 C ATOM 585 C TRP A 41 -12.843 -6.380 -5.681 1.00 0.74 C ATOM 586 O TRP A 41 -11.716 -6.687 -5.289 1.00 0.87 O ATOM 587 CB TRP A 41 -11.681 -5.200 -7.587 1.00 1.32 C ATOM 588 CG TRP A 41 -11.759 -4.399 -8.851 1.00 1.51 C ATOM 589 CD1 TRP A 41 -12.482 -4.719 -9.947 1.00 1.86 C ATOM 590 CD2 TRP A 41 -11.152 -3.104 -9.140 1.00 1.52 C ATOM 591 NE1 TRP A 41 -12.369 -3.715 -10.889 1.00 2.05 N ATOM 592 CE2 TRP A 41 -11.591 -2.673 -10.425 1.00 1.80 C ATOM 593 CE3 TRP A 41 -10.313 -2.230 -8.422 1.00 1.58 C ATOM 594 CZ2 TRP A 41 -11.231 -1.426 -10.959 1.00 1.90 C ATOM 595 CZ3 TRP A 41 -9.972 -0.962 -8.927 1.00 1.69 C ATOM 596 CH2 TRP A 41 -10.425 -0.563 -10.196 1.00 1.76 C ATOM 0 H TRP A 41 -13.154 -3.812 -5.613 1.00 0.84 H new ATOM 0 HA TRP A 41 -13.706 -5.950 -7.576 1.00 0.91 H new ATOM 0 HB2 TRP A 41 -11.019 -4.685 -6.891 1.00 1.32 H new ATOM 0 HB3 TRP A 41 -11.220 -6.161 -7.814 1.00 1.32 H new ATOM 0 HD1 TRP A 41 -13.061 -5.623 -10.068 1.00 1.86 H new ATOM 0 HE1 TRP A 41 -12.805 -3.740 -11.811 1.00 2.05 H new ATOM 0 HE3 TRP A 41 -9.923 -2.540 -7.464 1.00 1.58 H new ATOM 0 HZ2 TRP A 41 -11.568 -1.133 -11.942 1.00 1.90 H new ATOM 0 HZ3 TRP A 41 -9.361 -0.294 -8.338 1.00 1.69 H new ATOM 0 HH2 TRP A 41 -10.154 0.407 -10.585 1.00 1.76 H new ATOM 607 N PRO A 42 -13.938 -6.882 -5.095 1.00 0.65 N ATOM 608 CA PRO A 42 -13.856 -7.726 -3.915 1.00 0.76 C ATOM 609 C PRO A 42 -13.189 -9.058 -4.248 1.00 0.69 C ATOM 610 O PRO A 42 -12.570 -9.676 -3.386 1.00 0.74 O ATOM 611 CB PRO A 42 -15.291 -7.901 -3.413 1.00 0.99 C ATOM 612 CG PRO A 42 -16.166 -7.578 -4.627 1.00 0.99 C ATOM 613 CD PRO A 42 -15.314 -6.661 -5.506 1.00 0.76 C ATOM 0 HA PRO A 42 -13.239 -7.276 -3.137 1.00 0.76 H new ATOM 0 HB2 PRO A 42 -15.466 -8.916 -3.057 1.00 0.99 H new ATOM 0 HB3 PRO A 42 -15.504 -7.230 -2.581 1.00 0.99 H new ATOM 0 HG2 PRO A 42 -16.447 -8.485 -5.162 1.00 0.99 H new ATOM 0 HG3 PRO A 42 -17.091 -7.086 -4.326 1.00 0.99 H new ATOM 0 HD2 PRO A 42 -15.449 -6.896 -6.562 1.00 0.76 H new ATOM 0 HD3 PRO A 42 -15.599 -5.617 -5.373 1.00 0.76 H new ATOM 621 N GLN A 43 -13.281 -9.500 -5.504 1.00 0.65 N ATOM 622 CA GLN A 43 -12.676 -10.750 -5.932 1.00 0.68 C ATOM 623 C GLN A 43 -11.166 -10.756 -5.682 1.00 0.60 C ATOM 624 O GLN A 43 -10.604 -11.810 -5.403 1.00 0.64 O ATOM 625 CB GLN A 43 -12.992 -11.023 -7.406 1.00 0.85 C ATOM 626 CG GLN A 43 -13.380 -12.489 -7.609 1.00 0.95 C ATOM 627 CD GLN A 43 -13.523 -12.814 -9.091 1.00 1.38 C ATOM 628 OE1 GLN A 43 -14.621 -13.053 -9.575 1.00 2.02 O ATOM 629 NE2 GLN A 43 -12.420 -12.818 -9.828 1.00 2.42 N ATOM 0 H GLN A 43 -13.775 -9.001 -6.244 1.00 0.65 H new ATOM 0 HA GLN A 43 -13.107 -11.553 -5.335 1.00 0.68 H new ATOM 0 HB2 GLN A 43 -13.806 -10.377 -7.735 1.00 0.85 H new ATOM 0 HB3 GLN A 43 -12.125 -10.782 -8.021 1.00 0.85 H new ATOM 0 HG2 GLN A 43 -12.624 -13.135 -7.162 1.00 0.95 H new ATOM 0 HG3 GLN A 43 -14.319 -12.695 -7.095 1.00 0.95 H new ATOM 0 HE21 GLN A 43 -11.518 -12.615 -9.397 1.00 2.42 H new ATOM 0 HE22 GLN A 43 -12.474 -13.024 -10.826 1.00 2.42 H new ATOM 638 N ALA A 44 -10.492 -9.603 -5.759 1.00 0.56 N ATOM 639 CA ALA A 44 -9.062 -9.544 -5.481 1.00 0.56 C ATOM 640 C ALA A 44 -8.760 -9.904 -4.025 1.00 0.63 C ATOM 641 O ALA A 44 -7.711 -10.460 -3.717 1.00 0.79 O ATOM 642 CB ALA A 44 -8.527 -8.152 -5.813 1.00 0.57 C ATOM 0 H ALA A 44 -10.913 -8.709 -6.010 1.00 0.56 H new ATOM 0 HA ALA A 44 -8.561 -10.279 -6.110 1.00 0.56 H new ATOM 0 HB1 ALA A 44 -7.458 -8.114 -5.603 1.00 0.57 H new ATOM 0 HB2 ALA A 44 -8.698 -7.939 -6.868 1.00 0.57 H new ATOM 0 HB3 ALA A 44 -9.043 -7.409 -5.205 1.00 0.57 H new ATOM 648 N PHE A 45 -9.663 -9.571 -3.103 1.00 0.67 N ATOM 649 CA PHE A 45 -9.503 -9.881 -1.687 1.00 0.83 C ATOM 650 C PHE A 45 -9.832 -11.356 -1.409 1.00 0.78 C ATOM 651 O PHE A 45 -9.556 -11.858 -0.319 1.00 0.98 O ATOM 652 CB PHE A 45 -10.372 -8.924 -0.851 1.00 1.29 C ATOM 653 CG PHE A 45 -9.846 -7.497 -0.700 1.00 0.88 C ATOM 654 CD1 PHE A 45 -9.398 -6.739 -1.803 1.00 0.84 C ATOM 655 CD2 PHE A 45 -9.812 -6.911 0.579 1.00 0.91 C ATOM 656 CE1 PHE A 45 -8.895 -5.438 -1.619 1.00 1.01 C ATOM 657 CE2 PHE A 45 -9.316 -5.609 0.764 1.00 1.01 C ATOM 658 CZ PHE A 45 -8.851 -4.870 -0.337 1.00 1.13 C ATOM 0 H PHE A 45 -10.528 -9.077 -3.320 1.00 0.67 H new ATOM 0 HA PHE A 45 -8.462 -9.734 -1.398 1.00 0.83 H new ATOM 0 HB2 PHE A 45 -11.363 -8.878 -1.302 1.00 1.29 H new ATOM 0 HB3 PHE A 45 -10.494 -9.352 0.144 1.00 1.29 H new ATOM 0 HD1 PHE A 45 -9.442 -7.161 -2.796 1.00 0.84 H new ATOM 0 HD2 PHE A 45 -10.172 -7.470 1.430 1.00 0.91 H new ATOM 0 HE1 PHE A 45 -8.541 -4.874 -2.469 1.00 1.01 H new ATOM 0 HE2 PHE A 45 -9.292 -5.176 1.753 1.00 1.01 H new ATOM 0 HZ PHE A 45 -8.463 -3.872 -0.197 1.00 1.13 H new ATOM 668 N ARG A 46 -10.402 -12.079 -2.379 1.00 0.77 N ATOM 669 CA ARG A 46 -10.778 -13.472 -2.229 1.00 1.11 C ATOM 670 C ARG A 46 -9.508 -14.293 -2.051 1.00 1.28 C ATOM 671 O ARG A 46 -8.817 -14.601 -3.017 1.00 2.22 O ATOM 672 CB ARG A 46 -11.573 -13.935 -3.460 1.00 1.28 C ATOM 673 CG ARG A 46 -12.302 -15.258 -3.206 1.00 1.79 C ATOM 674 CD ARG A 46 -12.698 -15.887 -4.545 1.00 2.66 C ATOM 675 NE ARG A 46 -13.661 -16.984 -4.371 1.00 2.98 N ATOM 676 CZ ARG A 46 -14.099 -17.784 -5.353 1.00 3.99 C ATOM 677 NH1 ARG A 46 -15.040 -18.695 -5.104 1.00 4.27 N ATOM 678 NH2 ARG A 46 -13.597 -17.667 -6.583 1.00 5.11 N ATOM 0 H ARG A 46 -10.615 -11.699 -3.301 1.00 0.77 H new ATOM 0 HA ARG A 46 -11.417 -13.605 -1.356 1.00 1.11 H new ATOM 0 HB2 ARG A 46 -12.298 -13.168 -3.733 1.00 1.28 H new ATOM 0 HB3 ARG A 46 -10.896 -14.050 -4.307 1.00 1.28 H new ATOM 0 HG2 ARG A 46 -11.659 -15.939 -2.648 1.00 1.79 H new ATOM 0 HG3 ARG A 46 -13.189 -15.086 -2.596 1.00 1.79 H new ATOM 0 HD2 ARG A 46 -13.130 -15.123 -5.191 1.00 2.66 H new ATOM 0 HD3 ARG A 46 -11.807 -16.262 -5.048 1.00 2.66 H new ATOM 0 HE ARG A 46 -14.023 -17.149 -3.432 1.00 2.98 H new ATOM 0 HH11 ARG A 46 -15.428 -18.784 -4.165 1.00 4.27 H new ATOM 0 HH12 ARG A 46 -15.372 -19.303 -5.853 1.00 4.27 H new ATOM 0 HH21 ARG A 46 -12.879 -16.968 -6.777 1.00 5.11 H new ATOM 0 HH22 ARG A 46 -13.931 -18.276 -7.330 1.00 5.11 H new ATOM 692 N ASN A 47 -9.237 -14.682 -0.810 1.00 1.46 N ATOM 693 CA ASN A 47 -8.145 -15.565 -0.437 1.00 1.63 C ATOM 694 C ASN A 47 -6.781 -14.908 -0.655 1.00 1.43 C ATOM 695 O ASN A 47 -5.843 -15.519 -1.169 1.00 1.75 O ATOM 696 CB ASN A 47 -8.275 -16.917 -1.158 1.00 2.17 C ATOM 697 CG ASN A 47 -7.441 -17.992 -0.479 1.00 3.11 C ATOM 698 OD1 ASN A 47 -7.109 -17.882 0.695 1.00 3.77 O ATOM 699 ND2 ASN A 47 -7.122 -19.065 -1.190 1.00 3.83 N ATOM 0 H ASN A 47 -9.793 -14.379 -0.010 1.00 1.46 H new ATOM 0 HA ASN A 47 -8.214 -15.760 0.633 1.00 1.63 H new ATOM 0 HB2 ASN A 47 -9.321 -17.223 -1.175 1.00 2.17 H new ATOM 0 HB3 ASN A 47 -7.958 -16.810 -2.195 1.00 2.17 H new ATOM 0 HD21 ASN A 47 -6.589 -19.821 -0.761 1.00 3.83 H new ATOM 0 HD22 ASN A 47 -7.410 -19.134 -2.166 1.00 3.83 H new ATOM 706 N ALA A 48 -6.641 -13.652 -0.226 1.00 1.07 N ATOM 707 CA ALA A 48 -5.434 -12.882 -0.480 1.00 1.11 C ATOM 708 C ALA A 48 -4.575 -12.815 0.776 1.00 1.07 C ATOM 709 O ALA A 48 -4.159 -11.747 1.221 1.00 1.78 O ATOM 710 CB ALA A 48 -5.806 -11.494 -0.976 1.00 1.08 C ATOM 0 H ALA A 48 -7.355 -13.150 0.301 1.00 1.07 H new ATOM 0 HA ALA A 48 -4.846 -13.374 -1.255 1.00 1.11 H new ATOM 0 HB1 ALA A 48 -4.899 -10.920 -1.165 1.00 1.08 H new ATOM 0 HB2 ALA A 48 -6.381 -11.579 -1.898 1.00 1.08 H new ATOM 0 HB3 ALA A 48 -6.406 -10.986 -0.221 1.00 1.08 H new ATOM 716 N ALA A 49 -4.307 -13.982 1.348 1.00 1.13 N ATOM 717 CA ALA A 49 -3.529 -14.086 2.562 1.00 1.11 C ATOM 718 C ALA A 49 -2.036 -14.094 2.244 1.00 0.92 C ATOM 719 O ALA A 49 -1.594 -14.811 1.349 1.00 0.98 O ATOM 720 CB ALA A 49 -3.979 -15.332 3.321 1.00 1.34 C ATOM 0 H ALA A 49 -4.625 -14.878 0.979 1.00 1.13 H new ATOM 0 HA ALA A 49 -3.697 -13.218 3.200 1.00 1.11 H new ATOM 0 HB1 ALA A 49 -3.402 -15.426 4.241 1.00 1.34 H new ATOM 0 HB2 ALA A 49 -5.038 -15.247 3.564 1.00 1.34 H new ATOM 0 HB3 ALA A 49 -3.819 -16.214 2.700 1.00 1.34 H new ATOM 726 N THR A 50 -1.269 -13.287 2.982 1.00 0.75 N ATOM 727 CA THR A 50 0.182 -13.212 2.894 1.00 0.64 C ATOM 728 C THR A 50 0.692 -12.665 4.240 1.00 0.52 C ATOM 729 O THR A 50 -0.080 -12.002 4.947 1.00 0.57 O ATOM 730 CB THR A 50 0.552 -12.354 1.666 1.00 0.70 C ATOM 731 OG1 THR A 50 1.780 -12.761 1.113 1.00 1.33 O ATOM 732 CG2 THR A 50 0.547 -10.841 1.896 1.00 0.62 C ATOM 0 H THR A 50 -1.658 -12.650 3.677 1.00 0.75 H new ATOM 0 HA THR A 50 0.661 -14.179 2.738 1.00 0.64 H new ATOM 0 HB THR A 50 -0.255 -12.538 0.957 1.00 0.70 H new ATOM 0 HG1 THR A 50 2.484 -12.135 1.383 1.00 1.33 H new ATOM 0 HG21 THR A 50 0.820 -10.332 0.972 1.00 0.62 H new ATOM 0 HG22 THR A 50 -0.449 -10.523 2.205 1.00 0.62 H new ATOM 0 HG23 THR A 50 1.266 -10.589 2.675 1.00 0.62 H new ATOM 740 N PRO A 51 1.938 -12.968 4.643 1.00 0.58 N ATOM 741 CA PRO A 51 2.521 -12.456 5.876 1.00 0.64 C ATOM 742 C PRO A 51 2.888 -10.978 5.729 1.00 0.55 C ATOM 743 O PRO A 51 2.818 -10.416 4.636 1.00 0.55 O ATOM 744 CB PRO A 51 3.760 -13.319 6.131 1.00 0.89 C ATOM 745 CG PRO A 51 4.182 -13.767 4.735 1.00 0.94 C ATOM 746 CD PRO A 51 2.863 -13.865 3.970 1.00 0.78 C ATOM 0 HA PRO A 51 1.823 -12.511 6.711 1.00 0.64 H new ATOM 0 HB2 PRO A 51 4.549 -12.751 6.625 1.00 0.89 H new ATOM 0 HB3 PRO A 51 3.530 -14.170 6.772 1.00 0.89 H new ATOM 0 HG2 PRO A 51 4.860 -13.050 4.273 1.00 0.94 H new ATOM 0 HG3 PRO A 51 4.701 -14.725 4.762 1.00 0.94 H new ATOM 0 HD2 PRO A 51 2.995 -13.577 2.927 1.00 0.78 H new ATOM 0 HD3 PRO A 51 2.486 -14.888 3.973 1.00 0.78 H new ATOM 754 N VAL A 52 3.294 -10.338 6.827 1.00 0.55 N ATOM 755 CA VAL A 52 3.794 -8.972 6.759 1.00 0.47 C ATOM 756 C VAL A 52 5.063 -8.935 5.914 1.00 0.39 C ATOM 757 O VAL A 52 5.713 -9.955 5.694 1.00 0.43 O ATOM 758 CB VAL A 52 4.030 -8.382 8.162 1.00 0.73 C ATOM 759 CG1 VAL A 52 2.749 -8.380 9.005 1.00 2.41 C ATOM 760 CG2 VAL A 52 5.122 -9.140 8.916 1.00 2.17 C ATOM 0 H VAL A 52 3.285 -10.742 7.763 1.00 0.55 H new ATOM 0 HA VAL A 52 3.038 -8.347 6.284 1.00 0.47 H new ATOM 0 HB VAL A 52 4.352 -7.352 8.007 1.00 0.73 H new ATOM 0 HG11 VAL A 52 2.960 -7.956 9.987 1.00 2.41 H new ATOM 0 HG12 VAL A 52 1.987 -7.781 8.507 1.00 2.41 H new ATOM 0 HG13 VAL A 52 2.388 -9.402 9.121 1.00 2.41 H new ATOM 0 HG21 VAL A 52 5.260 -8.695 9.901 1.00 2.17 H new ATOM 0 HG22 VAL A 52 4.830 -10.184 9.027 1.00 2.17 H new ATOM 0 HG23 VAL A 52 6.056 -9.083 8.358 1.00 2.17 H new ATOM 770 N GLY A 53 5.408 -7.747 5.431 1.00 0.35 N ATOM 771 CA GLY A 53 6.617 -7.542 4.662 1.00 0.28 C ATOM 772 C GLY A 53 6.556 -8.200 3.294 1.00 0.32 C ATOM 773 O GLY A 53 7.598 -8.447 2.693 1.00 0.37 O ATOM 0 H GLY A 53 4.853 -6.902 5.565 1.00 0.35 H new ATOM 0 HA2 GLY A 53 6.789 -6.473 4.540 1.00 0.28 H new ATOM 0 HA3 GLY A 53 7.467 -7.940 5.215 1.00 0.28 H new ATOM 777 N THR A 54 5.356 -8.443 2.762 1.00 0.34 N ATOM 778 CA THR A 54 5.234 -8.974 1.419 1.00 0.39 C ATOM 779 C THR A 54 4.130 -8.228 0.679 1.00 0.29 C ATOM 780 O THR A 54 3.452 -7.366 1.247 1.00 0.28 O ATOM 781 CB THR A 54 5.000 -10.492 1.462 1.00 0.55 C ATOM 782 OG1 THR A 54 3.723 -10.786 1.972 1.00 0.79 O ATOM 783 CG2 THR A 54 6.023 -11.225 2.329 1.00 0.69 C ATOM 0 H THR A 54 4.470 -8.280 3.240 1.00 0.34 H new ATOM 0 HA THR A 54 6.162 -8.819 0.869 1.00 0.39 H new ATOM 0 HB THR A 54 5.099 -10.834 0.432 1.00 0.55 H new ATOM 0 HG1 THR A 54 3.691 -10.559 2.925 1.00 0.79 H new ATOM 0 HG21 THR A 54 5.807 -12.293 2.321 1.00 0.69 H new ATOM 0 HG22 THR A 54 7.024 -11.054 1.934 1.00 0.69 H new ATOM 0 HG23 THR A 54 5.968 -10.851 3.351 1.00 0.69 H new ATOM 791 N ALA A 55 3.959 -8.569 -0.597 1.00 0.27 N ATOM 792 CA ALA A 55 2.941 -8.027 -1.466 1.00 0.24 C ATOM 793 C ALA A 55 2.326 -9.214 -2.190 1.00 0.28 C ATOM 794 O ALA A 55 3.058 -10.088 -2.648 1.00 0.46 O ATOM 795 CB ALA A 55 3.579 -7.049 -2.453 1.00 0.32 C ATOM 0 H ALA A 55 4.552 -9.256 -1.062 1.00 0.27 H new ATOM 0 HA ALA A 55 2.178 -7.478 -0.913 1.00 0.24 H new ATOM 0 HB1 ALA A 55 2.810 -6.640 -3.109 1.00 0.32 H new ATOM 0 HB2 ALA A 55 4.057 -6.238 -1.904 1.00 0.32 H new ATOM 0 HB3 ALA A 55 4.326 -7.571 -3.051 1.00 0.32 H new ATOM 801 N LYS A 56 0.998 -9.263 -2.289 1.00 0.28 N ATOM 802 CA LYS A 56 0.307 -10.346 -2.967 1.00 0.34 C ATOM 803 C LYS A 56 -0.610 -9.727 -4.006 1.00 0.33 C ATOM 804 O LYS A 56 -1.581 -9.066 -3.648 1.00 0.41 O ATOM 805 CB LYS A 56 -0.448 -11.191 -1.935 1.00 0.48 C ATOM 806 CG LYS A 56 -1.163 -12.381 -2.586 1.00 0.73 C ATOM 807 CD LYS A 56 -1.773 -13.268 -1.498 1.00 0.97 C ATOM 808 CE LYS A 56 -2.585 -14.426 -2.085 1.00 1.57 C ATOM 809 NZ LYS A 56 -1.715 -15.446 -2.704 1.00 1.90 N ATOM 0 H LYS A 56 0.377 -8.553 -1.901 1.00 0.28 H new ATOM 0 HA LYS A 56 0.999 -11.017 -3.475 1.00 0.34 H new ATOM 0 HB2 LYS A 56 0.251 -11.555 -1.182 1.00 0.48 H new ATOM 0 HB3 LYS A 56 -1.177 -10.567 -1.418 1.00 0.48 H new ATOM 0 HG2 LYS A 56 -1.943 -12.026 -3.260 1.00 0.73 H new ATOM 0 HG3 LYS A 56 -0.460 -12.957 -3.187 1.00 0.73 H new ATOM 0 HD2 LYS A 56 -0.978 -13.667 -0.868 1.00 0.97 H new ATOM 0 HD3 LYS A 56 -2.415 -12.664 -0.857 1.00 0.97 H new ATOM 0 HE2 LYS A 56 -3.183 -14.887 -1.298 1.00 1.57 H new ATOM 0 HE3 LYS A 56 -3.281 -14.041 -2.830 1.00 1.57 H new ATOM 0 HZ1 LYS A 56 -2.301 -16.214 -3.090 1.00 1.90 H new ATOM 0 HZ2 LYS A 56 -1.163 -15.012 -3.471 1.00 1.90 H new ATOM 0 HZ3 LYS A 56 -1.068 -15.831 -1.987 1.00 1.90 H new ATOM 823 N THR A 57 -0.291 -9.901 -5.284 1.00 0.32 N ATOM 824 CA THR A 57 -1.145 -9.419 -6.352 1.00 0.31 C ATOM 825 C THR A 57 -2.257 -10.432 -6.587 1.00 0.35 C ATOM 826 O THR A 57 -1.996 -11.635 -6.602 1.00 0.45 O ATOM 827 CB THR A 57 -0.294 -9.214 -7.606 1.00 0.39 C ATOM 828 OG1 THR A 57 0.714 -8.290 -7.278 1.00 0.55 O ATOM 829 CG2 THR A 57 -1.091 -8.666 -8.793 1.00 0.54 C ATOM 0 H THR A 57 0.555 -10.374 -5.601 1.00 0.32 H new ATOM 0 HA THR A 57 -1.603 -8.465 -6.090 1.00 0.31 H new ATOM 0 HB THR A 57 0.102 -10.182 -7.912 1.00 0.39 H new ATOM 0 HG1 THR A 57 1.592 -8.681 -7.471 1.00 0.55 H new ATOM 0 HG21 THR A 57 -0.429 -8.544 -9.650 1.00 0.54 H new ATOM 0 HG22 THR A 57 -1.890 -9.363 -9.048 1.00 0.54 H new ATOM 0 HG23 THR A 57 -1.523 -7.701 -8.527 1.00 0.54 H new ATOM 837 N VAL A 58 -3.489 -9.964 -6.803 1.00 0.36 N ATOM 838 CA VAL A 58 -4.601 -10.829 -7.174 1.00 0.45 C ATOM 839 C VAL A 58 -5.402 -10.108 -8.248 1.00 0.56 C ATOM 840 O VAL A 58 -6.137 -9.169 -7.959 1.00 1.15 O ATOM 841 CB VAL A 58 -5.474 -11.170 -5.953 1.00 0.56 C ATOM 842 CG1 VAL A 58 -6.527 -12.217 -6.341 1.00 1.20 C ATOM 843 CG2 VAL A 58 -4.633 -11.743 -4.809 1.00 1.27 C ATOM 0 H VAL A 58 -3.738 -8.978 -6.725 1.00 0.36 H new ATOM 0 HA VAL A 58 -4.230 -11.779 -7.558 1.00 0.45 H new ATOM 0 HB VAL A 58 -5.950 -10.247 -5.622 1.00 0.56 H new ATOM 0 HG11 VAL A 58 -7.142 -12.454 -5.473 1.00 1.20 H new ATOM 0 HG12 VAL A 58 -7.159 -11.820 -7.135 1.00 1.20 H new ATOM 0 HG13 VAL A 58 -6.029 -13.121 -6.691 1.00 1.20 H new ATOM 0 HG21 VAL A 58 -5.279 -11.973 -3.962 1.00 1.27 H new ATOM 0 HG22 VAL A 58 -4.135 -12.653 -5.144 1.00 1.27 H new ATOM 0 HG23 VAL A 58 -3.885 -11.011 -4.506 1.00 1.27 H new ATOM 853 N LYS A 59 -5.249 -10.511 -9.508 1.00 0.44 N ATOM 854 CA LYS A 59 -5.978 -9.843 -10.579 1.00 0.46 C ATOM 855 C LYS A 59 -7.466 -10.128 -10.406 1.00 0.48 C ATOM 856 O LYS A 59 -7.848 -11.286 -10.262 1.00 0.60 O ATOM 857 CB LYS A 59 -5.471 -10.294 -11.953 1.00 0.56 C ATOM 858 CG LYS A 59 -4.032 -9.807 -12.182 1.00 1.00 C ATOM 859 CD LYS A 59 -3.035 -10.953 -12.377 1.00 1.85 C ATOM 860 CE LYS A 59 -3.254 -11.620 -13.740 1.00 1.80 C ATOM 861 NZ LYS A 59 -2.211 -12.628 -14.035 1.00 2.64 N ATOM 0 H LYS A 59 -4.643 -11.276 -9.806 1.00 0.44 H new ATOM 0 HA LYS A 59 -5.812 -8.767 -10.524 1.00 0.46 H new ATOM 0 HB2 LYS A 59 -5.509 -11.381 -12.022 1.00 0.56 H new ATOM 0 HB3 LYS A 59 -6.122 -9.902 -12.734 1.00 0.56 H new ATOM 0 HG2 LYS A 59 -4.009 -9.160 -13.059 1.00 1.00 H new ATOM 0 HG3 LYS A 59 -3.719 -9.202 -11.331 1.00 1.00 H new ATOM 0 HD2 LYS A 59 -2.016 -10.573 -12.310 1.00 1.85 H new ATOM 0 HD3 LYS A 59 -3.155 -11.688 -11.581 1.00 1.85 H new ATOM 0 HE2 LYS A 59 -4.234 -12.096 -13.758 1.00 1.80 H new ATOM 0 HE3 LYS A 59 -3.255 -10.859 -14.521 1.00 1.80 H new ATOM 0 HZ1 LYS A 59 -2.395 -13.056 -14.965 1.00 2.64 H new ATOM 0 HZ2 LYS A 59 -1.278 -12.170 -14.043 1.00 2.64 H new ATOM 0 HZ3 LYS A 59 -2.227 -13.368 -13.304 1.00 2.64 H new ATOM 875 N CYS A 60 -8.301 -9.085 -10.389 1.00 0.46 N ATOM 876 CA CYS A 60 -9.733 -9.291 -10.195 1.00 0.57 C ATOM 877 C CYS A 60 -10.348 -9.843 -11.476 1.00 0.89 C ATOM 878 O CYS A 60 -11.005 -10.879 -11.460 1.00 1.81 O ATOM 879 CB CYS A 60 -10.416 -7.980 -9.789 1.00 0.62 C ATOM 880 SG CYS A 60 -12.147 -8.304 -9.343 1.00 1.12 S ATOM 0 H CYS A 60 -8.016 -8.112 -10.505 1.00 0.46 H new ATOM 0 HA CYS A 60 -9.883 -10.011 -9.391 1.00 0.57 H new ATOM 0 HB2 CYS A 60 -9.891 -7.531 -8.946 1.00 0.62 H new ATOM 0 HB3 CYS A 60 -10.370 -7.265 -10.610 1.00 0.62 H new ATOM 0 HG CYS A 60 -12.544 -9.403 -9.913 1.00 1.12 H new ATOM 886 N ASP A 61 -10.152 -9.102 -12.565 1.00 0.78 N ATOM 887 CA ASP A 61 -10.650 -9.414 -13.896 1.00 0.90 C ATOM 888 C ASP A 61 -9.475 -9.148 -14.826 1.00 0.90 C ATOM 889 O ASP A 61 -8.771 -10.068 -15.230 1.00 1.02 O ATOM 890 CB ASP A 61 -11.876 -8.537 -14.239 1.00 0.97 C ATOM 891 CG ASP A 61 -13.172 -9.331 -14.388 1.00 1.45 C ATOM 892 OD1 ASP A 61 -14.229 -8.732 -14.091 1.00 1.63 O ATOM 893 OD2 ASP A 61 -13.094 -10.503 -14.815 1.00 3.05 O ATOM 0 H ASP A 61 -9.619 -8.233 -12.539 1.00 0.78 H new ATOM 0 HA ASP A 61 -10.996 -10.444 -13.984 1.00 0.90 H new ATOM 0 HB2 ASP A 61 -12.006 -7.788 -13.458 1.00 0.97 H new ATOM 0 HB3 ASP A 61 -11.680 -8.000 -15.167 1.00 0.97 H new ATOM 898 N GLU A 62 -9.188 -7.869 -15.073 1.00 0.84 N ATOM 899 CA GLU A 62 -8.119 -7.463 -15.974 1.00 0.89 C ATOM 900 C GLU A 62 -7.376 -6.269 -15.365 1.00 0.82 C ATOM 901 O GLU A 62 -6.934 -5.367 -16.067 1.00 1.23 O ATOM 902 CB GLU A 62 -8.731 -7.161 -17.353 1.00 1.10 C ATOM 903 CG GLU A 62 -7.770 -7.563 -18.478 1.00 1.85 C ATOM 904 CD GLU A 62 -8.403 -7.355 -19.856 1.00 2.02 C ATOM 905 OE1 GLU A 62 -8.578 -8.372 -20.566 1.00 3.18 O ATOM 906 OE2 GLU A 62 -8.698 -6.187 -20.187 1.00 1.92 O ATOM 0 H GLU A 62 -9.692 -7.089 -14.652 1.00 0.84 H new ATOM 0 HA GLU A 62 -7.383 -8.255 -16.111 1.00 0.89 H new ATOM 0 HB2 GLU A 62 -9.672 -7.700 -17.463 1.00 1.10 H new ATOM 0 HB3 GLU A 62 -8.961 -6.098 -17.428 1.00 1.10 H new ATOM 0 HG2 GLU A 62 -6.855 -6.975 -18.404 1.00 1.85 H new ATOM 0 HG3 GLU A 62 -7.487 -8.609 -18.360 1.00 1.85 H new ATOM 913 N THR A 63 -7.233 -6.261 -14.036 1.00 0.75 N ATOM 914 CA THR A 63 -6.571 -5.184 -13.315 1.00 0.60 C ATOM 915 C THR A 63 -5.551 -5.800 -12.374 1.00 0.43 C ATOM 916 O THR A 63 -5.817 -6.836 -11.761 1.00 0.49 O ATOM 917 CB THR A 63 -7.602 -4.306 -12.584 1.00 0.77 C ATOM 918 OG1 THR A 63 -7.050 -3.048 -12.260 1.00 0.86 O ATOM 919 CG2 THR A 63 -8.156 -4.937 -11.301 1.00 0.94 C ATOM 0 H THR A 63 -7.577 -7.008 -13.433 1.00 0.75 H new ATOM 0 HA THR A 63 -6.049 -4.521 -14.005 1.00 0.60 H new ATOM 0 HB THR A 63 -8.431 -4.199 -13.284 1.00 0.77 H new ATOM 0 HG1 THR A 63 -7.722 -2.505 -11.798 1.00 0.86 H new ATOM 0 HG21 THR A 63 -8.876 -4.259 -10.843 1.00 0.94 H new ATOM 0 HG22 THR A 63 -8.648 -5.879 -11.542 1.00 0.94 H new ATOM 0 HG23 THR A 63 -7.338 -5.122 -10.604 1.00 0.94 H new ATOM 927 N TYR A 64 -4.391 -5.159 -12.246 1.00 0.44 N ATOM 928 CA TYR A 64 -3.345 -5.605 -11.354 1.00 0.34 C ATOM 929 C TYR A 64 -3.508 -4.850 -10.040 1.00 0.39 C ATOM 930 O TYR A 64 -3.227 -3.656 -9.974 1.00 0.81 O ATOM 931 CB TYR A 64 -1.993 -5.316 -12.013 1.00 0.43 C ATOM 932 CG TYR A 64 -1.890 -5.852 -13.427 1.00 0.48 C ATOM 933 CD1 TYR A 64 -1.900 -7.239 -13.653 1.00 0.55 C ATOM 934 CD2 TYR A 64 -1.845 -4.963 -14.521 1.00 0.62 C ATOM 935 CE1 TYR A 64 -1.859 -7.743 -14.966 1.00 0.67 C ATOM 936 CE2 TYR A 64 -1.796 -5.459 -15.835 1.00 0.75 C ATOM 937 CZ TYR A 64 -1.802 -6.855 -16.062 1.00 0.74 C ATOM 938 OH TYR A 64 -1.761 -7.362 -17.325 1.00 0.92 O ATOM 0 H TYR A 64 -4.158 -4.312 -12.765 1.00 0.44 H new ATOM 0 HA TYR A 64 -3.401 -6.675 -11.154 1.00 0.34 H new ATOM 0 HB2 TYR A 64 -1.826 -4.239 -12.027 1.00 0.43 H new ATOM 0 HB3 TYR A 64 -1.200 -5.754 -11.407 1.00 0.43 H new ATOM 0 HD1 TYR A 64 -1.939 -7.920 -12.816 1.00 0.55 H new ATOM 0 HD2 TYR A 64 -1.848 -3.897 -14.348 1.00 0.62 H new ATOM 0 HE1 TYR A 64 -1.871 -8.810 -15.135 1.00 0.67 H new ATOM 0 HE2 TYR A 64 -1.754 -4.775 -16.670 1.00 0.75 H new ATOM 0 HH TYR A 64 -1.725 -6.627 -17.972 1.00 0.92 H new ATOM 948 N ILE A 65 -3.972 -5.523 -8.988 1.00 0.37 N ATOM 949 CA ILE A 65 -4.046 -4.927 -7.673 1.00 0.36 C ATOM 950 C ILE A 65 -3.107 -5.679 -6.751 1.00 0.32 C ATOM 951 O ILE A 65 -3.061 -6.909 -6.777 1.00 0.36 O ATOM 952 CB ILE A 65 -5.488 -4.899 -7.163 1.00 0.39 C ATOM 953 CG1 ILE A 65 -5.478 -4.658 -5.645 1.00 0.46 C ATOM 954 CG2 ILE A 65 -6.252 -6.192 -7.456 1.00 0.40 C ATOM 955 CD1 ILE A 65 -6.752 -3.959 -5.236 1.00 0.58 C ATOM 0 H ILE A 65 -4.302 -6.487 -9.031 1.00 0.37 H new ATOM 0 HA ILE A 65 -3.728 -3.885 -7.711 1.00 0.36 H new ATOM 0 HB ILE A 65 -6.000 -4.094 -7.690 1.00 0.39 H new ATOM 0 HG12 ILE A 65 -5.386 -5.607 -5.116 1.00 0.46 H new ATOM 0 HG13 ILE A 65 -4.614 -4.053 -5.368 1.00 0.46 H new ATOM 0 HG21 ILE A 65 -7.268 -6.110 -7.070 1.00 0.40 H new ATOM 0 HG22 ILE A 65 -6.285 -6.359 -8.533 1.00 0.40 H new ATOM 0 HG23 ILE A 65 -5.748 -7.030 -6.975 1.00 0.40 H new ATOM 0 HD11 ILE A 65 -6.744 -3.789 -4.159 1.00 0.58 H new ATOM 0 HD12 ILE A 65 -6.825 -3.003 -5.754 1.00 0.58 H new ATOM 0 HD13 ILE A 65 -7.608 -4.580 -5.499 1.00 0.58 H new ATOM 967 N ILE A 66 -2.371 -4.917 -5.946 1.00 0.30 N ATOM 968 CA ILE A 66 -1.326 -5.408 -5.072 1.00 0.24 C ATOM 969 C ILE A 66 -1.823 -5.259 -3.634 1.00 0.26 C ATOM 970 O ILE A 66 -2.396 -4.230 -3.286 1.00 0.47 O ATOM 971 CB ILE A 66 -0.037 -4.584 -5.275 1.00 0.33 C ATOM 972 CG1 ILE A 66 0.179 -3.951 -6.667 1.00 0.87 C ATOM 973 CG2 ILE A 66 1.151 -5.454 -4.875 1.00 0.40 C ATOM 974 CD1 ILE A 66 0.505 -4.961 -7.765 1.00 1.17 C ATOM 0 H ILE A 66 -2.496 -3.906 -5.887 1.00 0.30 H new ATOM 0 HA ILE A 66 -1.099 -6.451 -5.293 1.00 0.24 H new ATOM 0 HB ILE A 66 -0.142 -3.708 -4.635 1.00 0.33 H new ATOM 0 HG12 ILE A 66 -0.719 -3.401 -6.948 1.00 0.87 H new ATOM 0 HG13 ILE A 66 0.990 -3.225 -6.603 1.00 0.87 H new ATOM 0 HG21 ILE A 66 2.075 -4.892 -5.010 1.00 0.40 H new ATOM 0 HG22 ILE A 66 1.053 -5.745 -3.829 1.00 0.40 H new ATOM 0 HG23 ILE A 66 1.175 -6.347 -5.500 1.00 0.40 H new ATOM 0 HD11 ILE A 66 0.642 -4.438 -8.711 1.00 1.17 H new ATOM 0 HD12 ILE A 66 1.421 -5.494 -7.509 1.00 1.17 H new ATOM 0 HD13 ILE A 66 -0.315 -5.673 -7.860 1.00 1.17 H new ATOM 986 N HIS A 67 -1.587 -6.239 -2.767 1.00 0.25 N ATOM 987 CA HIS A 67 -1.957 -6.153 -1.362 1.00 0.28 C ATOM 988 C HIS A 67 -0.676 -6.156 -0.538 1.00 0.28 C ATOM 989 O HIS A 67 -0.052 -7.203 -0.390 1.00 0.38 O ATOM 990 CB HIS A 67 -2.864 -7.336 -1.011 1.00 0.35 C ATOM 991 CG HIS A 67 -4.242 -7.276 -1.625 1.00 0.95 C ATOM 992 ND1 HIS A 67 -5.169 -8.286 -1.558 1.00 1.99 N ATOM 993 CD2 HIS A 67 -4.806 -6.252 -2.342 1.00 2.07 C ATOM 994 CE1 HIS A 67 -6.249 -7.893 -2.253 1.00 2.39 C ATOM 995 NE2 HIS A 67 -6.080 -6.658 -2.741 1.00 2.48 N ATOM 0 H HIS A 67 -1.133 -7.116 -3.021 1.00 0.25 H new ATOM 0 HA HIS A 67 -2.509 -5.238 -1.148 1.00 0.28 H new ATOM 0 HB2 HIS A 67 -2.378 -8.257 -1.332 1.00 0.35 H new ATOM 0 HB3 HIS A 67 -2.966 -7.390 0.073 1.00 0.35 H new ATOM 0 HD2 HIS A 67 -4.345 -5.300 -2.559 1.00 2.07 H new ATOM 0 HE1 HIS A 67 -7.135 -8.493 -2.399 1.00 2.39 H new ATOM 0 HE2 HIS A 67 -6.748 -6.121 -3.294 1.00 2.48 H new ATOM 1003 N ALA A 68 -0.264 -4.987 -0.039 1.00 0.26 N ATOM 1004 CA ALA A 68 0.965 -4.827 0.721 1.00 0.26 C ATOM 1005 C ALA A 68 0.645 -4.942 2.201 1.00 0.28 C ATOM 1006 O ALA A 68 -0.172 -4.168 2.697 1.00 0.39 O ATOM 1007 CB ALA A 68 1.537 -3.438 0.437 1.00 0.28 C ATOM 0 H ALA A 68 -0.786 -4.118 -0.157 1.00 0.26 H new ATOM 0 HA ALA A 68 1.688 -5.593 0.439 1.00 0.26 H new ATOM 0 HB1 ALA A 68 2.460 -3.302 1.000 1.00 0.28 H new ATOM 0 HB2 ALA A 68 1.745 -3.341 -0.629 1.00 0.28 H new ATOM 0 HB3 ALA A 68 0.814 -2.679 0.736 1.00 0.28 H new ATOM 1013 N VAL A 69 1.275 -5.875 2.913 1.00 0.34 N ATOM 1014 CA VAL A 69 0.948 -6.087 4.316 1.00 0.36 C ATOM 1015 C VAL A 69 1.966 -5.371 5.195 1.00 0.37 C ATOM 1016 O VAL A 69 3.136 -5.755 5.244 1.00 0.41 O ATOM 1017 CB VAL A 69 0.848 -7.585 4.616 1.00 0.38 C ATOM 1018 CG1 VAL A 69 0.550 -7.824 6.095 1.00 0.80 C ATOM 1019 CG2 VAL A 69 -0.309 -8.207 3.830 1.00 0.67 C ATOM 0 H VAL A 69 2.004 -6.487 2.546 1.00 0.34 H new ATOM 0 HA VAL A 69 -0.029 -5.659 4.541 1.00 0.36 H new ATOM 0 HB VAL A 69 1.802 -8.033 4.337 1.00 0.38 H new ATOM 0 HG11 VAL A 69 0.483 -8.895 6.284 1.00 0.80 H new ATOM 0 HG12 VAL A 69 1.349 -7.397 6.701 1.00 0.80 H new ATOM 0 HG13 VAL A 69 -0.396 -7.350 6.357 1.00 0.80 H new ATOM 0 HG21 VAL A 69 -0.369 -9.272 4.053 1.00 0.67 H new ATOM 0 HG22 VAL A 69 -1.244 -7.724 4.115 1.00 0.67 H new ATOM 0 HG23 VAL A 69 -0.140 -8.068 2.762 1.00 0.67 H new ATOM 1029 N GLY A 70 1.507 -4.343 5.912 1.00 0.42 N ATOM 1030 CA GLY A 70 2.344 -3.583 6.824 1.00 0.47 C ATOM 1031 C GLY A 70 2.488 -4.316 8.156 1.00 0.44 C ATOM 1032 O GLY A 70 1.554 -4.982 8.598 1.00 0.45 O ATOM 0 H GLY A 70 0.541 -4.019 5.872 1.00 0.42 H new ATOM 0 HA2 GLY A 70 3.327 -3.427 6.380 1.00 0.47 H new ATOM 0 HA3 GLY A 70 1.909 -2.597 6.990 1.00 0.47 H new ATOM 1036 N PRO A 71 3.647 -4.207 8.813 1.00 0.44 N ATOM 1037 CA PRO A 71 3.892 -4.843 10.091 1.00 0.46 C ATOM 1038 C PRO A 71 3.261 -4.061 11.233 1.00 0.49 C ATOM 1039 O PRO A 71 2.950 -2.874 11.133 1.00 0.56 O ATOM 1040 CB PRO A 71 5.406 -4.868 10.246 1.00 0.50 C ATOM 1041 CG PRO A 71 5.827 -3.607 9.499 1.00 0.47 C ATOM 1042 CD PRO A 71 4.827 -3.507 8.351 1.00 0.45 C ATOM 0 HA PRO A 71 3.455 -5.841 10.123 1.00 0.46 H new ATOM 0 HB2 PRO A 71 5.709 -4.841 11.293 1.00 0.50 H new ATOM 0 HB3 PRO A 71 5.845 -5.765 9.810 1.00 0.50 H new ATOM 0 HG2 PRO A 71 5.785 -2.729 10.143 1.00 0.47 H new ATOM 0 HG3 PRO A 71 6.850 -3.684 9.131 1.00 0.47 H new ATOM 0 HD2 PRO A 71 4.601 -2.467 8.115 1.00 0.45 H new ATOM 0 HD3 PRO A 71 5.224 -3.961 7.443 1.00 0.45 H new ATOM 1050 N ASN A 72 3.114 -4.744 12.361 1.00 0.56 N ATOM 1051 CA ASN A 72 2.516 -4.204 13.562 1.00 0.64 C ATOM 1052 C ASN A 72 3.615 -3.721 14.499 1.00 0.53 C ATOM 1053 O ASN A 72 4.019 -4.435 15.407 1.00 0.60 O ATOM 1054 CB ASN A 72 1.601 -5.254 14.221 1.00 0.89 C ATOM 1055 CG ASN A 72 2.204 -6.657 14.336 1.00 1.86 C ATOM 1056 OD1 ASN A 72 3.386 -6.885 14.112 1.00 2.82 O ATOM 1057 ND2 ASN A 72 1.380 -7.652 14.631 1.00 2.48 N ATOM 0 H ASN A 72 3.417 -5.713 12.462 1.00 0.56 H new ATOM 0 HA ASN A 72 1.888 -3.348 13.315 1.00 0.64 H new ATOM 0 HB2 ASN A 72 1.335 -4.906 15.219 1.00 0.89 H new ATOM 0 HB3 ASN A 72 0.676 -5.318 13.648 1.00 0.89 H new ATOM 0 HD21 ASN A 72 1.730 -8.609 14.672 1.00 2.48 H new ATOM 0 HD22 ASN A 72 0.396 -7.461 14.817 1.00 2.48 H new ATOM 1064 N PHE A 73 4.055 -2.470 14.335 1.00 0.57 N ATOM 1065 CA PHE A 73 5.047 -1.848 15.215 1.00 0.67 C ATOM 1066 C PHE A 73 4.636 -1.979 16.693 1.00 0.74 C ATOM 1067 O PHE A 73 5.482 -2.154 17.561 1.00 0.92 O ATOM 1068 CB PHE A 73 5.311 -0.401 14.768 1.00 0.87 C ATOM 1069 CG PHE A 73 6.565 0.257 15.336 1.00 1.53 C ATOM 1070 CD1 PHE A 73 7.654 0.541 14.485 1.00 1.54 C ATOM 1071 CD2 PHE A 73 6.643 0.632 16.692 1.00 3.47 C ATOM 1072 CE1 PHE A 73 8.793 1.202 14.977 1.00 2.25 C ATOM 1073 CE2 PHE A 73 7.785 1.286 17.188 1.00 4.58 C ATOM 1074 CZ PHE A 73 8.860 1.576 16.331 1.00 3.75 C ATOM 0 H PHE A 73 3.732 -1.859 13.585 1.00 0.57 H new ATOM 0 HA PHE A 73 5.996 -2.378 15.131 1.00 0.67 H new ATOM 0 HB2 PHE A 73 5.377 -0.384 13.680 1.00 0.87 H new ATOM 0 HB3 PHE A 73 4.449 0.206 15.044 1.00 0.87 H new ATOM 0 HD1 PHE A 73 7.612 0.248 13.446 1.00 1.54 H new ATOM 0 HD2 PHE A 73 5.819 0.415 17.356 1.00 3.47 H new ATOM 0 HE1 PHE A 73 9.617 1.423 14.315 1.00 2.25 H new ATOM 0 HE2 PHE A 73 7.836 1.566 18.230 1.00 4.58 H new ATOM 0 HZ PHE A 73 9.734 2.084 16.711 1.00 3.75 H new ATOM 1084 N ASN A 74 3.330 -1.945 16.992 1.00 0.73 N ATOM 1085 CA ASN A 74 2.811 -1.996 18.365 1.00 0.88 C ATOM 1086 C ASN A 74 3.055 -3.351 19.020 1.00 0.92 C ATOM 1087 O ASN A 74 2.963 -3.486 20.235 1.00 1.15 O ATOM 1088 CB ASN A 74 1.291 -1.730 18.399 1.00 0.91 C ATOM 1089 CG ASN A 74 0.873 -0.940 19.636 1.00 2.07 C ATOM 1090 OD1 ASN A 74 1.684 -0.320 20.309 1.00 3.35 O ATOM 1091 ND2 ASN A 74 -0.420 -0.891 19.926 1.00 2.65 N ATOM 0 H ASN A 74 2.600 -1.881 16.283 1.00 0.73 H new ATOM 0 HA ASN A 74 3.347 -1.222 18.914 1.00 0.88 H new ATOM 0 HB2 ASN A 74 1.000 -1.181 17.504 1.00 0.91 H new ATOM 0 HB3 ASN A 74 0.757 -2.680 18.379 1.00 0.91 H new ATOM 0 HD21 ASN A 74 -0.745 -0.333 20.716 1.00 2.65 H new ATOM 0 HD22 ASN A 74 -1.090 -1.411 19.359 1.00 2.65 H new ATOM 1098 N ASN A 75 3.267 -4.370 18.193 1.00 0.78 N ATOM 1099 CA ASN A 75 3.372 -5.762 18.581 1.00 0.88 C ATOM 1100 C ASN A 75 4.689 -6.342 18.063 1.00 0.79 C ATOM 1101 O ASN A 75 4.848 -7.561 18.055 1.00 0.85 O ATOM 1102 CB ASN A 75 2.164 -6.522 18.001 1.00 0.99 C ATOM 1103 CG ASN A 75 1.578 -7.551 18.958 1.00 1.15 C ATOM 1104 OD1 ASN A 75 2.031 -7.731 20.081 1.00 1.79 O ATOM 1105 ND2 ASN A 75 0.508 -8.217 18.543 1.00 1.83 N ATOM 0 H ASN A 75 3.375 -4.235 17.188 1.00 0.78 H new ATOM 0 HA ASN A 75 3.367 -5.859 19.667 1.00 0.88 H new ATOM 0 HB2 ASN A 75 1.389 -5.805 17.732 1.00 0.99 H new ATOM 0 HB3 ASN A 75 2.467 -7.023 17.082 1.00 0.99 H new ATOM 0 HD21 ASN A 75 0.053 -8.888 19.162 1.00 1.83 H new ATOM 0 HD22 ASN A 75 0.140 -8.058 17.605 1.00 1.83 H new ATOM 1112 N THR A 76 5.634 -5.500 17.623 1.00 0.70 N ATOM 1113 CA THR A 76 6.944 -6.002 17.209 1.00 0.68 C ATOM 1114 C THR A 76 8.043 -5.049 17.682 1.00 0.75 C ATOM 1115 O THR A 76 7.831 -4.270 18.610 1.00 1.22 O ATOM 1116 CB THR A 76 6.948 -6.289 15.694 1.00 0.64 C ATOM 1117 OG1 THR A 76 8.048 -7.110 15.361 1.00 0.76 O ATOM 1118 CG2 THR A 76 7.043 -5.027 14.833 1.00 0.60 C ATOM 0 H THR A 76 5.517 -4.490 17.547 1.00 0.70 H new ATOM 0 HA THR A 76 7.158 -6.958 17.687 1.00 0.68 H new ATOM 0 HB THR A 76 5.996 -6.777 15.485 1.00 0.64 H new ATOM 0 HG1 THR A 76 8.043 -7.289 14.398 1.00 0.76 H new ATOM 0 HG21 THR A 76 7.041 -5.305 13.779 1.00 0.60 H new ATOM 0 HG22 THR A 76 6.190 -4.380 15.040 1.00 0.60 H new ATOM 0 HG23 THR A 76 7.966 -4.496 15.066 1.00 0.60 H new ATOM 1126 N SER A 77 9.229 -5.130 17.082 1.00 0.77 N ATOM 1127 CA SER A 77 10.347 -4.260 17.394 1.00 0.82 C ATOM 1128 C SER A 77 10.458 -3.191 16.310 1.00 0.70 C ATOM 1129 O SER A 77 9.894 -3.337 15.230 1.00 0.67 O ATOM 1130 CB SER A 77 11.614 -5.119 17.477 1.00 1.00 C ATOM 1131 OG SER A 77 11.816 -5.863 16.286 1.00 2.93 O ATOM 0 H SER A 77 9.437 -5.815 16.355 1.00 0.77 H new ATOM 0 HA SER A 77 10.206 -3.755 18.350 1.00 0.82 H new ATOM 0 HB2 SER A 77 12.478 -4.479 17.659 1.00 1.00 H new ATOM 0 HB3 SER A 77 11.538 -5.800 18.325 1.00 1.00 H new ATOM 0 HG SER A 77 11.513 -6.785 16.421 1.00 2.93 H new ATOM 1137 N GLU A 78 11.218 -2.121 16.550 1.00 0.80 N ATOM 1138 CA GLU A 78 11.569 -1.191 15.496 1.00 0.80 C ATOM 1139 C GLU A 78 12.403 -1.904 14.431 1.00 0.75 C ATOM 1140 O GLU A 78 12.230 -1.650 13.252 1.00 0.74 O ATOM 1141 CB GLU A 78 12.323 -0.026 16.130 1.00 1.00 C ATOM 1142 CG GLU A 78 12.622 1.089 15.129 1.00 2.54 C ATOM 1143 CD GLU A 78 14.124 1.371 15.038 1.00 3.43 C ATOM 1144 OE1 GLU A 78 14.865 0.416 14.714 1.00 4.19 O ATOM 1145 OE2 GLU A 78 14.516 2.519 15.345 1.00 4.13 O ATOM 0 H GLU A 78 11.598 -1.884 17.467 1.00 0.80 H new ATOM 0 HA GLU A 78 10.679 -0.806 14.998 1.00 0.80 H new ATOM 0 HB2 GLU A 78 11.735 0.378 16.954 1.00 1.00 H new ATOM 0 HB3 GLU A 78 13.259 -0.390 16.554 1.00 1.00 H new ATOM 0 HG2 GLU A 78 12.243 0.809 14.146 1.00 2.54 H new ATOM 0 HG3 GLU A 78 12.097 1.997 15.426 1.00 2.54 H new ATOM 1152 N ALA A 79 13.269 -2.840 14.822 1.00 0.79 N ATOM 1153 CA ALA A 79 14.104 -3.566 13.875 1.00 0.82 C ATOM 1154 C ALA A 79 13.257 -4.315 12.846 1.00 0.70 C ATOM 1155 O ALA A 79 13.382 -4.104 11.640 1.00 0.70 O ATOM 1156 CB ALA A 79 14.988 -4.547 14.647 1.00 0.95 C ATOM 0 H ALA A 79 13.408 -3.112 15.795 1.00 0.79 H new ATOM 0 HA ALA A 79 14.724 -2.853 13.332 1.00 0.82 H new ATOM 0 HB1 ALA A 79 15.618 -5.097 13.948 1.00 0.95 H new ATOM 0 HB2 ALA A 79 15.617 -3.997 15.347 1.00 0.95 H new ATOM 0 HB3 ALA A 79 14.360 -5.248 15.197 1.00 0.95 H new ATOM 1162 N GLU A 80 12.420 -5.234 13.322 1.00 0.65 N ATOM 1163 CA GLU A 80 11.559 -6.034 12.463 1.00 0.60 C ATOM 1164 C GLU A 80 10.470 -5.162 11.850 1.00 0.49 C ATOM 1165 O GLU A 80 9.993 -5.449 10.761 1.00 0.50 O ATOM 1166 CB GLU A 80 10.933 -7.169 13.275 1.00 0.68 C ATOM 1167 CG GLU A 80 12.016 -8.160 13.707 1.00 0.88 C ATOM 1168 CD GLU A 80 11.482 -9.118 14.769 1.00 1.00 C ATOM 1169 OE1 GLU A 80 11.363 -10.323 14.459 1.00 2.15 O ATOM 1170 OE2 GLU A 80 11.226 -8.617 15.890 1.00 2.20 O ATOM 0 H GLU A 80 12.322 -5.443 14.316 1.00 0.65 H new ATOM 0 HA GLU A 80 12.156 -6.460 11.657 1.00 0.60 H new ATOM 0 HB2 GLU A 80 10.428 -6.764 14.152 1.00 0.68 H new ATOM 0 HB3 GLU A 80 10.177 -7.680 12.679 1.00 0.68 H new ATOM 0 HG2 GLU A 80 12.363 -8.726 12.842 1.00 0.88 H new ATOM 0 HG3 GLU A 80 12.876 -7.617 14.100 1.00 0.88 H new ATOM 1177 N GLY A 81 10.083 -4.093 12.539 1.00 0.47 N ATOM 1178 CA GLY A 81 9.000 -3.224 12.118 1.00 0.41 C ATOM 1179 C GLY A 81 9.413 -2.465 10.869 1.00 0.41 C ATOM 1180 O GLY A 81 8.764 -2.553 9.834 1.00 0.48 O ATOM 0 H GLY A 81 10.520 -3.806 13.415 1.00 0.47 H new ATOM 0 HA2 GLY A 81 8.104 -3.812 11.919 1.00 0.41 H new ATOM 0 HA3 GLY A 81 8.751 -2.524 12.916 1.00 0.41 H new ATOM 1184 N ASP A 82 10.510 -1.725 10.948 1.00 0.45 N ATOM 1185 CA ASP A 82 11.039 -0.985 9.809 1.00 0.47 C ATOM 1186 C ASP A 82 11.418 -1.941 8.683 1.00 0.47 C ATOM 1187 O ASP A 82 11.154 -1.646 7.518 1.00 0.47 O ATOM 1188 CB ASP A 82 12.235 -0.111 10.207 1.00 0.60 C ATOM 1189 CG ASP A 82 11.803 1.331 10.483 1.00 0.95 C ATOM 1190 OD1 ASP A 82 12.558 2.240 10.068 1.00 1.78 O ATOM 1191 OD2 ASP A 82 10.707 1.502 11.062 1.00 2.29 O ATOM 0 H ASP A 82 11.058 -1.620 11.802 1.00 0.45 H new ATOM 0 HA ASP A 82 10.254 -0.319 9.452 1.00 0.47 H new ATOM 0 HB2 ASP A 82 12.712 -0.526 11.095 1.00 0.60 H new ATOM 0 HB3 ASP A 82 12.979 -0.124 9.410 1.00 0.60 H new ATOM 1196 N ARG A 83 12.024 -3.091 8.998 1.00 0.51 N ATOM 1197 CA ARG A 83 12.356 -4.067 7.962 1.00 0.57 C ATOM 1198 C ARG A 83 11.116 -4.482 7.195 1.00 0.52 C ATOM 1199 O ARG A 83 11.101 -4.375 5.977 1.00 0.53 O ATOM 1200 CB ARG A 83 13.062 -5.297 8.540 1.00 0.71 C ATOM 1201 CG ARG A 83 14.567 -5.107 8.377 1.00 0.85 C ATOM 1202 CD ARG A 83 15.337 -6.262 9.012 1.00 1.41 C ATOM 1203 NE ARG A 83 16.774 -6.132 8.737 1.00 2.12 N ATOM 1204 CZ ARG A 83 17.744 -6.823 9.345 1.00 2.91 C ATOM 1205 NH1 ARG A 83 19.020 -6.596 9.031 1.00 3.79 N ATOM 1206 NH2 ARG A 83 17.434 -7.740 10.263 1.00 3.29 N ATOM 0 H ARG A 83 12.289 -3.363 9.945 1.00 0.51 H new ATOM 0 HA ARG A 83 13.049 -3.582 7.274 1.00 0.57 H new ATOM 0 HB2 ARG A 83 12.807 -5.421 9.592 1.00 0.71 H new ATOM 0 HB3 ARG A 83 12.735 -6.200 8.024 1.00 0.71 H new ATOM 0 HG2 ARG A 83 14.816 -5.038 7.318 1.00 0.85 H new ATOM 0 HG3 ARG A 83 14.870 -4.167 8.837 1.00 0.85 H new ATOM 0 HD2 ARG A 83 15.166 -6.273 10.088 1.00 1.41 H new ATOM 0 HD3 ARG A 83 14.970 -7.211 8.621 1.00 1.41 H new ATOM 0 HE ARG A 83 17.055 -5.459 8.024 1.00 2.12 H new ATOM 0 HH11 ARG A 83 19.255 -5.896 8.328 1.00 3.79 H new ATOM 0 HH12 ARG A 83 19.761 -7.123 9.494 1.00 3.79 H new ATOM 0 HH21 ARG A 83 16.457 -7.914 10.501 1.00 3.29 H new ATOM 0 HH22 ARG A 83 18.174 -8.267 10.727 1.00 3.29 H new ATOM 1220 N ASP A 84 10.099 -4.976 7.886 1.00 0.50 N ATOM 1221 CA ASP A 84 8.907 -5.509 7.248 1.00 0.50 C ATOM 1222 C ASP A 84 8.135 -4.394 6.552 1.00 0.46 C ATOM 1223 O ASP A 84 7.478 -4.630 5.547 1.00 0.51 O ATOM 1224 CB ASP A 84 8.026 -6.253 8.259 1.00 0.51 C ATOM 1225 CG ASP A 84 8.554 -7.646 8.597 1.00 0.51 C ATOM 1226 OD1 ASP A 84 9.396 -8.153 7.822 1.00 1.68 O ATOM 1227 OD2 ASP A 84 8.068 -8.206 9.604 1.00 2.03 O ATOM 0 H ASP A 84 10.078 -5.018 8.905 1.00 0.50 H new ATOM 0 HA ASP A 84 9.214 -6.231 6.492 1.00 0.50 H new ATOM 0 HB2 ASP A 84 7.956 -5.665 9.174 1.00 0.51 H new ATOM 0 HB3 ASP A 84 7.016 -6.340 7.858 1.00 0.51 H new ATOM 1232 N LEU A 85 8.210 -3.156 7.034 1.00 0.38 N ATOM 1233 CA LEU A 85 7.575 -2.027 6.383 1.00 0.37 C ATOM 1234 C LEU A 85 8.247 -1.778 5.033 1.00 0.37 C ATOM 1235 O LEU A 85 7.585 -1.659 4.003 1.00 0.39 O ATOM 1236 CB LEU A 85 7.669 -0.835 7.343 1.00 0.37 C ATOM 1237 CG LEU A 85 6.940 0.429 6.883 1.00 0.45 C ATOM 1238 CD1 LEU A 85 5.522 0.114 6.401 1.00 0.46 C ATOM 1239 CD2 LEU A 85 6.857 1.375 8.082 1.00 0.60 C ATOM 0 H LEU A 85 8.714 -2.913 7.887 1.00 0.38 H new ATOM 0 HA LEU A 85 6.522 -2.208 6.168 1.00 0.37 H new ATOM 0 HB2 LEU A 85 7.267 -1.135 8.311 1.00 0.37 H new ATOM 0 HB3 LEU A 85 8.721 -0.594 7.496 1.00 0.37 H new ATOM 0 HG LEU A 85 7.485 0.876 6.051 1.00 0.45 H new ATOM 0 HD11 LEU A 85 5.033 1.035 6.082 1.00 0.46 H new ATOM 0 HD12 LEU A 85 5.569 -0.582 5.563 1.00 0.46 H new ATOM 0 HD13 LEU A 85 4.953 -0.336 7.214 1.00 0.46 H new ATOM 0 HD21 LEU A 85 6.341 2.290 7.789 1.00 0.60 H new ATOM 0 HD22 LEU A 85 6.307 0.891 8.890 1.00 0.60 H new ATOM 0 HD23 LEU A 85 7.863 1.619 8.423 1.00 0.60 H new ATOM 1251 N ALA A 86 9.580 -1.747 5.024 1.00 0.36 N ATOM 1252 CA ALA A 86 10.362 -1.552 3.817 1.00 0.36 C ATOM 1253 C ALA A 86 10.204 -2.745 2.877 1.00 0.32 C ATOM 1254 O ALA A 86 10.250 -2.586 1.661 1.00 0.30 O ATOM 1255 CB ALA A 86 11.831 -1.336 4.190 1.00 0.37 C ATOM 0 H ALA A 86 10.146 -1.858 5.865 1.00 0.36 H new ATOM 0 HA ALA A 86 10.000 -0.668 3.292 1.00 0.36 H new ATOM 0 HB1 ALA A 86 12.419 -1.190 3.284 1.00 0.37 H new ATOM 0 HB2 ALA A 86 11.919 -0.455 4.826 1.00 0.37 H new ATOM 0 HB3 ALA A 86 12.202 -2.209 4.726 1.00 0.37 H new ATOM 1261 N ALA A 87 10.028 -3.941 3.434 1.00 0.36 N ATOM 1262 CA ALA A 87 9.867 -5.178 2.698 1.00 0.32 C ATOM 1263 C ALA A 87 8.522 -5.182 1.992 1.00 0.31 C ATOM 1264 O ALA A 87 8.449 -5.568 0.833 1.00 0.33 O ATOM 1265 CB ALA A 87 9.962 -6.360 3.659 1.00 0.29 C ATOM 0 H ALA A 87 9.993 -4.073 4.445 1.00 0.36 H new ATOM 0 HA ALA A 87 10.657 -5.263 1.952 1.00 0.32 H new ATOM 0 HB1 ALA A 87 9.841 -7.290 3.104 1.00 0.29 H new ATOM 0 HB2 ALA A 87 10.936 -6.354 4.148 1.00 0.29 H new ATOM 0 HB3 ALA A 87 9.177 -6.281 4.411 1.00 0.29 H new ATOM 1271 N ALA A 88 7.464 -4.730 2.668 1.00 0.31 N ATOM 1272 CA ALA A 88 6.142 -4.609 2.085 1.00 0.31 C ATOM 1273 C ALA A 88 6.245 -3.711 0.859 1.00 0.30 C ATOM 1274 O ALA A 88 5.848 -4.100 -0.238 1.00 0.31 O ATOM 1275 CB ALA A 88 5.159 -4.054 3.122 1.00 0.33 C ATOM 0 H ALA A 88 7.509 -4.437 3.644 1.00 0.31 H new ATOM 0 HA ALA A 88 5.762 -5.584 1.778 1.00 0.31 H new ATOM 0 HB1 ALA A 88 4.169 -3.967 2.675 1.00 0.33 H new ATOM 0 HB2 ALA A 88 5.113 -4.729 3.977 1.00 0.33 H new ATOM 0 HB3 ALA A 88 5.495 -3.071 3.453 1.00 0.33 H new ATOM 1281 N TYR A 89 6.825 -2.520 1.022 1.00 0.29 N ATOM 1282 CA TYR A 89 6.983 -1.609 -0.094 1.00 0.29 C ATOM 1283 C TYR A 89 7.806 -2.213 -1.230 1.00 0.32 C ATOM 1284 O TYR A 89 7.442 -2.091 -2.396 1.00 0.37 O ATOM 1285 CB TYR A 89 7.639 -0.333 0.415 1.00 0.28 C ATOM 1286 CG TYR A 89 6.822 0.446 1.430 1.00 0.36 C ATOM 1287 CD1 TYR A 89 5.433 0.631 1.269 1.00 0.61 C ATOM 1288 CD2 TYR A 89 7.472 1.023 2.532 1.00 0.42 C ATOM 1289 CE1 TYR A 89 4.715 1.427 2.175 1.00 0.84 C ATOM 1290 CE2 TYR A 89 6.754 1.789 3.462 1.00 0.62 C ATOM 1291 CZ TYR A 89 5.375 2.003 3.279 1.00 0.83 C ATOM 1292 OH TYR A 89 4.678 2.759 4.167 1.00 1.14 O ATOM 0 H TYR A 89 7.187 -2.174 1.910 1.00 0.29 H new ATOM 0 HA TYR A 89 5.997 -1.396 -0.507 1.00 0.29 H new ATOM 0 HB2 TYR A 89 8.599 -0.589 0.863 1.00 0.28 H new ATOM 0 HB3 TYR A 89 7.847 0.315 -0.436 1.00 0.28 H new ATOM 0 HD1 TYR A 89 4.920 0.158 0.445 1.00 0.61 H new ATOM 0 HD2 TYR A 89 8.534 0.876 2.665 1.00 0.42 H new ATOM 0 HE1 TYR A 89 3.659 1.598 2.026 1.00 0.84 H new ATOM 0 HE2 TYR A 89 7.258 2.214 4.317 1.00 0.62 H new ATOM 0 HH TYR A 89 3.932 3.198 3.708 1.00 1.14 H new ATOM 1302 N ARG A 90 8.935 -2.842 -0.918 1.00 0.30 N ATOM 1303 CA ARG A 90 9.842 -3.398 -1.914 1.00 0.30 C ATOM 1304 C ARG A 90 9.230 -4.603 -2.618 1.00 0.24 C ATOM 1305 O ARG A 90 9.544 -4.863 -3.776 1.00 0.34 O ATOM 1306 CB ARG A 90 11.172 -3.693 -1.222 1.00 0.43 C ATOM 1307 CG ARG A 90 12.278 -4.135 -2.181 1.00 0.44 C ATOM 1308 CD ARG A 90 13.612 -3.878 -1.473 1.00 1.04 C ATOM 1309 NE ARG A 90 14.689 -4.747 -1.964 1.00 1.23 N ATOM 1310 CZ ARG A 90 15.859 -4.908 -1.332 1.00 1.73 C ATOM 1311 NH1 ARG A 90 16.728 -5.826 -1.752 1.00 2.20 N ATOM 1312 NH2 ARG A 90 16.150 -4.152 -0.272 1.00 2.31 N ATOM 0 H ARG A 90 9.248 -2.981 0.043 1.00 0.30 H new ATOM 0 HA ARG A 90 10.025 -2.682 -2.715 1.00 0.30 H new ATOM 0 HB2 ARG A 90 11.500 -2.801 -0.689 1.00 0.43 H new ATOM 0 HB3 ARG A 90 11.018 -4.472 -0.475 1.00 0.43 H new ATOM 0 HG2 ARG A 90 12.172 -5.190 -2.433 1.00 0.44 H new ATOM 0 HG3 ARG A 90 12.224 -3.577 -3.116 1.00 0.44 H new ATOM 0 HD2 ARG A 90 13.899 -2.836 -1.613 1.00 1.04 H new ATOM 0 HD3 ARG A 90 13.486 -4.032 -0.401 1.00 1.04 H new ATOM 0 HE ARG A 90 14.538 -5.256 -2.835 1.00 1.23 H new ATOM 0 HH11 ARG A 90 16.504 -6.410 -2.558 1.00 2.20 H new ATOM 0 HH12 ARG A 90 17.618 -5.945 -1.268 1.00 2.20 H new ATOM 0 HH21 ARG A 90 15.482 -3.454 0.055 1.00 2.31 H new ATOM 0 HH22 ARG A 90 17.040 -4.272 0.211 1.00 2.31 H new ATOM 1326 N ALA A 91 8.331 -5.319 -1.952 1.00 0.23 N ATOM 1327 CA ALA A 91 7.578 -6.390 -2.565 1.00 0.25 C ATOM 1328 C ALA A 91 6.620 -5.788 -3.589 1.00 0.28 C ATOM 1329 O ALA A 91 6.563 -6.264 -4.718 1.00 0.32 O ATOM 1330 CB ALA A 91 6.857 -7.199 -1.485 1.00 0.25 C ATOM 0 H ALA A 91 8.108 -5.167 -0.968 1.00 0.23 H new ATOM 0 HA ALA A 91 8.238 -7.082 -3.089 1.00 0.25 H new ATOM 0 HB1 ALA A 91 6.291 -8.005 -1.951 1.00 0.25 H new ATOM 0 HB2 ALA A 91 7.589 -7.621 -0.797 1.00 0.25 H new ATOM 0 HB3 ALA A 91 6.177 -6.548 -0.936 1.00 0.25 H new ATOM 1336 N VAL A 92 5.900 -4.717 -3.234 1.00 0.31 N ATOM 1337 CA VAL A 92 5.024 -4.038 -4.186 1.00 0.36 C ATOM 1338 C VAL A 92 5.835 -3.623 -5.403 1.00 0.36 C ATOM 1339 O VAL A 92 5.429 -3.890 -6.529 1.00 0.34 O ATOM 1340 CB VAL A 92 4.338 -2.817 -3.554 1.00 0.41 C ATOM 1341 CG1 VAL A 92 3.521 -2.038 -4.590 1.00 0.73 C ATOM 1342 CG2 VAL A 92 3.391 -3.227 -2.434 1.00 0.63 C ATOM 0 H VAL A 92 5.909 -4.307 -2.300 1.00 0.31 H new ATOM 0 HA VAL A 92 4.237 -4.729 -4.487 1.00 0.36 H new ATOM 0 HB VAL A 92 5.137 -2.191 -3.157 1.00 0.41 H new ATOM 0 HG11 VAL A 92 3.049 -1.181 -4.111 1.00 0.73 H new ATOM 0 HG12 VAL A 92 4.179 -1.691 -5.387 1.00 0.73 H new ATOM 0 HG13 VAL A 92 2.753 -2.687 -5.011 1.00 0.73 H new ATOM 0 HG21 VAL A 92 2.923 -2.339 -2.010 1.00 0.63 H new ATOM 0 HG22 VAL A 92 2.621 -3.888 -2.832 1.00 0.63 H new ATOM 0 HG23 VAL A 92 3.950 -3.749 -1.657 1.00 0.63 H new ATOM 1352 N ALA A 93 6.979 -2.978 -5.171 1.00 0.42 N ATOM 1353 CA ALA A 93 7.879 -2.519 -6.209 1.00 0.42 C ATOM 1354 C ALA A 93 8.187 -3.656 -7.185 1.00 0.42 C ATOM 1355 O ALA A 93 8.060 -3.481 -8.396 1.00 0.48 O ATOM 1356 CB ALA A 93 9.150 -1.949 -5.578 1.00 0.47 C ATOM 0 H ALA A 93 7.306 -2.759 -4.230 1.00 0.42 H new ATOM 0 HA ALA A 93 7.402 -1.722 -6.779 1.00 0.42 H new ATOM 0 HB1 ALA A 93 9.823 -1.605 -6.363 1.00 0.47 H new ATOM 0 HB2 ALA A 93 8.891 -1.112 -4.930 1.00 0.47 H new ATOM 0 HB3 ALA A 93 9.643 -2.723 -4.990 1.00 0.47 H new ATOM 1362 N ALA A 94 8.542 -4.833 -6.665 1.00 0.42 N ATOM 1363 CA ALA A 94 8.767 -5.994 -7.509 1.00 0.43 C ATOM 1364 C ALA A 94 7.542 -6.261 -8.381 1.00 0.43 C ATOM 1365 O ALA A 94 7.668 -6.409 -9.594 1.00 0.51 O ATOM 1366 CB ALA A 94 9.113 -7.218 -6.661 1.00 0.44 C ATOM 0 H ALA A 94 8.678 -5.001 -5.668 1.00 0.42 H new ATOM 0 HA ALA A 94 9.614 -5.789 -8.164 1.00 0.43 H new ATOM 0 HB1 ALA A 94 9.278 -8.077 -7.312 1.00 0.44 H new ATOM 0 HB2 ALA A 94 10.018 -7.019 -6.087 1.00 0.44 H new ATOM 0 HB3 ALA A 94 8.290 -7.432 -5.979 1.00 0.44 H new ATOM 1372 N GLU A 95 6.348 -6.313 -7.785 1.00 0.38 N ATOM 1373 CA GLU A 95 5.124 -6.570 -8.514 1.00 0.39 C ATOM 1374 C GLU A 95 4.912 -5.563 -9.653 1.00 0.38 C ATOM 1375 O GLU A 95 4.353 -5.924 -10.683 1.00 0.39 O ATOM 1376 CB GLU A 95 3.916 -6.660 -7.573 1.00 0.37 C ATOM 1377 CG GLU A 95 4.031 -7.822 -6.575 1.00 0.73 C ATOM 1378 CD GLU A 95 4.144 -9.172 -7.286 1.00 0.92 C ATOM 1379 OE1 GLU A 95 5.243 -9.763 -7.245 1.00 2.47 O ATOM 1380 OE2 GLU A 95 3.132 -9.583 -7.901 1.00 2.33 O ATOM 0 H GLU A 95 6.213 -6.177 -6.783 1.00 0.38 H new ATOM 0 HA GLU A 95 5.225 -7.547 -8.987 1.00 0.39 H new ATOM 0 HB2 GLU A 95 3.817 -5.723 -7.025 1.00 0.37 H new ATOM 0 HB3 GLU A 95 3.008 -6.782 -8.164 1.00 0.37 H new ATOM 0 HG2 GLU A 95 4.904 -7.671 -5.940 1.00 0.73 H new ATOM 0 HG3 GLU A 95 3.159 -7.827 -5.921 1.00 0.73 H new ATOM 1387 N ILE A 96 5.393 -4.322 -9.536 1.00 0.41 N ATOM 1388 CA ILE A 96 5.274 -3.333 -10.596 1.00 0.44 C ATOM 1389 C ILE A 96 6.013 -3.809 -11.838 1.00 0.44 C ATOM 1390 O ILE A 96 5.457 -3.803 -12.937 1.00 0.43 O ATOM 1391 CB ILE A 96 5.856 -1.991 -10.141 1.00 0.47 C ATOM 1392 CG1 ILE A 96 5.377 -1.567 -8.756 1.00 0.52 C ATOM 1393 CG2 ILE A 96 5.543 -0.888 -11.139 1.00 0.48 C ATOM 1394 CD1 ILE A 96 3.893 -1.756 -8.451 1.00 1.96 C ATOM 0 H ILE A 96 5.874 -3.981 -8.703 1.00 0.41 H new ATOM 0 HA ILE A 96 4.217 -3.203 -10.830 1.00 0.44 H new ATOM 0 HB ILE A 96 6.934 -2.144 -10.086 1.00 0.47 H new ATOM 0 HG12 ILE A 96 5.949 -2.123 -8.014 1.00 0.52 H new ATOM 0 HG13 ILE A 96 5.620 -0.513 -8.621 1.00 0.52 H new ATOM 0 HG21 ILE A 96 5.969 0.052 -10.788 1.00 0.48 H new ATOM 0 HG22 ILE A 96 5.972 -1.142 -12.108 1.00 0.48 H new ATOM 0 HG23 ILE A 96 4.463 -0.782 -11.237 1.00 0.48 H new ATOM 0 HD11 ILE A 96 3.684 -1.416 -7.437 1.00 1.96 H new ATOM 0 HD12 ILE A 96 3.300 -1.176 -9.157 1.00 1.96 H new ATOM 0 HD13 ILE A 96 3.635 -2.811 -8.541 1.00 1.96 H new ATOM 1406 N ASN A 97 7.280 -4.206 -11.681 1.00 0.47 N ATOM 1407 CA ASN A 97 8.037 -4.723 -12.815 1.00 0.54 C ATOM 1408 C ASN A 97 7.573 -6.132 -13.184 1.00 0.55 C ATOM 1409 O ASN A 97 7.922 -6.629 -14.250 1.00 0.74 O ATOM 1410 CB ASN A 97 9.552 -4.691 -12.553 1.00 0.63 C ATOM 1411 CG ASN A 97 10.007 -5.645 -11.455 1.00 2.26 C ATOM 1412 OD1 ASN A 97 10.385 -5.215 -10.374 1.00 3.92 O ATOM 1413 ND2 ASN A 97 10.002 -6.947 -11.707 1.00 2.79 N ATOM 0 H ASN A 97 7.790 -4.179 -10.798 1.00 0.47 H new ATOM 0 HA ASN A 97 7.842 -4.067 -13.663 1.00 0.54 H new ATOM 0 HB2 ASN A 97 10.076 -4.938 -13.476 1.00 0.63 H new ATOM 0 HB3 ASN A 97 9.843 -3.676 -12.283 1.00 0.63 H new ATOM 0 HD21 ASN A 97 10.316 -7.606 -10.994 1.00 2.79 H new ATOM 0 HD22 ASN A 97 9.684 -7.290 -12.613 1.00 2.79 H new ATOM 1420 N ARG A 98 6.851 -6.813 -12.293 1.00 0.50 N ATOM 1421 CA ARG A 98 6.442 -8.197 -12.500 1.00 0.55 C ATOM 1422 C ARG A 98 5.219 -8.262 -13.408 1.00 0.56 C ATOM 1423 O ARG A 98 5.115 -9.164 -14.233 1.00 0.72 O ATOM 1424 CB ARG A 98 6.175 -8.827 -11.131 1.00 0.55 C ATOM 1425 CG ARG A 98 5.988 -10.345 -11.162 1.00 0.90 C ATOM 1426 CD ARG A 98 6.514 -10.950 -9.851 1.00 1.17 C ATOM 1427 NE ARG A 98 7.883 -11.469 -10.003 1.00 1.86 N ATOM 1428 CZ ARG A 98 8.198 -12.629 -10.593 1.00 2.36 C ATOM 1429 NH1 ARG A 98 9.473 -12.999 -10.712 1.00 3.21 N ATOM 1430 NH2 ARG A 98 7.231 -13.415 -11.068 1.00 3.17 N ATOM 0 H ARG A 98 6.535 -6.417 -11.408 1.00 0.50 H new ATOM 0 HA ARG A 98 7.231 -8.758 -13.000 1.00 0.55 H new ATOM 0 HB2 ARG A 98 7.005 -8.588 -10.466 1.00 0.55 H new ATOM 0 HB3 ARG A 98 5.282 -8.371 -10.702 1.00 0.55 H new ATOM 0 HG2 ARG A 98 4.934 -10.590 -11.292 1.00 0.90 H new ATOM 0 HG3 ARG A 98 6.521 -10.771 -12.012 1.00 0.90 H new ATOM 0 HD2 ARG A 98 6.497 -10.192 -9.068 1.00 1.17 H new ATOM 0 HD3 ARG A 98 5.853 -11.755 -9.530 1.00 1.17 H new ATOM 0 HE ARG A 98 8.647 -10.904 -9.632 1.00 1.86 H new ATOM 0 HH11 ARG A 98 10.214 -12.397 -10.353 1.00 3.21 H new ATOM 0 HH12 ARG A 98 9.707 -13.884 -11.162 1.00 3.21 H new ATOM 0 HH21 ARG A 98 6.255 -13.132 -10.981 1.00 3.17 H new ATOM 0 HH22 ARG A 98 7.467 -14.299 -11.518 1.00 3.17 H new ATOM 1444 N LEU A 99 4.286 -7.324 -13.244 1.00 0.46 N ATOM 1445 CA LEU A 99 3.099 -7.204 -14.080 1.00 0.49 C ATOM 1446 C LEU A 99 3.370 -6.250 -15.243 1.00 0.50 C ATOM 1447 O LEU A 99 2.731 -6.364 -16.282 1.00 0.58 O ATOM 1448 CB LEU A 99 1.897 -6.721 -13.248 1.00 0.52 C ATOM 1449 CG LEU A 99 1.260 -7.783 -12.333 1.00 0.66 C ATOM 1450 CD1 LEU A 99 0.966 -9.084 -13.082 1.00 1.87 C ATOM 1451 CD2 LEU A 99 2.080 -8.100 -11.083 1.00 1.49 C ATOM 0 H LEU A 99 4.338 -6.615 -12.512 1.00 0.46 H new ATOM 0 HA LEU A 99 2.856 -8.186 -14.486 1.00 0.49 H new ATOM 0 HB2 LEU A 99 2.217 -5.880 -12.633 1.00 0.52 H new ATOM 0 HB3 LEU A 99 1.133 -6.346 -13.928 1.00 0.52 H new ATOM 0 HG LEU A 99 0.325 -7.329 -12.005 1.00 0.66 H new ATOM 0 HD11 LEU A 99 0.517 -9.804 -12.398 1.00 1.87 H new ATOM 0 HD12 LEU A 99 0.276 -8.884 -13.902 1.00 1.87 H new ATOM 0 HD13 LEU A 99 1.895 -9.492 -13.481 1.00 1.87 H new ATOM 0 HD21 LEU A 99 1.564 -8.856 -10.492 1.00 1.49 H new ATOM 0 HD22 LEU A 99 3.060 -8.475 -11.376 1.00 1.49 H new ATOM 0 HD23 LEU A 99 2.201 -7.195 -10.488 1.00 1.49 H new ATOM 1463 N SER A 100 4.329 -5.335 -15.079 1.00 0.49 N ATOM 1464 CA SER A 100 4.743 -4.364 -16.080 1.00 0.54 C ATOM 1465 C SER A 100 3.687 -3.266 -16.198 1.00 0.56 C ATOM 1466 O SER A 100 2.889 -3.220 -17.131 1.00 0.86 O ATOM 1467 CB SER A 100 5.088 -5.059 -17.407 1.00 0.69 C ATOM 1468 OG SER A 100 6.308 -4.555 -17.914 1.00 1.74 O ATOM 0 H SER A 100 4.855 -5.252 -14.209 1.00 0.49 H new ATOM 0 HA SER A 100 5.665 -3.872 -15.770 1.00 0.54 H new ATOM 0 HB2 SER A 100 5.165 -6.135 -17.254 1.00 0.69 H new ATOM 0 HB3 SER A 100 4.289 -4.897 -18.131 1.00 0.69 H new ATOM 0 HG SER A 100 6.522 -5.004 -18.759 1.00 1.74 H new ATOM 1474 N ILE A 101 3.679 -2.377 -15.208 1.00 0.51 N ATOM 1475 CA ILE A 101 2.714 -1.301 -15.076 1.00 0.70 C ATOM 1476 C ILE A 101 3.362 0.014 -15.485 1.00 0.57 C ATOM 1477 O ILE A 101 4.564 0.200 -15.312 1.00 0.57 O ATOM 1478 CB ILE A 101 2.273 -1.297 -13.607 1.00 1.07 C ATOM 1479 CG1 ILE A 101 1.152 -2.323 -13.436 1.00 1.11 C ATOM 1480 CG2 ILE A 101 1.785 0.047 -13.074 1.00 2.79 C ATOM 1481 CD1 ILE A 101 1.363 -3.055 -12.116 1.00 0.76 C ATOM 0 H ILE A 101 4.367 -2.390 -14.455 1.00 0.51 H new ATOM 0 HA ILE A 101 1.847 -1.436 -15.722 1.00 0.70 H new ATOM 0 HB ILE A 101 3.165 -1.538 -13.028 1.00 1.07 H new ATOM 0 HG12 ILE A 101 0.181 -1.828 -13.443 1.00 1.11 H new ATOM 0 HG13 ILE A 101 1.156 -3.030 -14.266 1.00 1.11 H new ATOM 0 HG21 ILE A 101 1.498 -0.059 -12.028 1.00 2.79 H new ATOM 0 HG22 ILE A 101 2.584 0.784 -13.158 1.00 2.79 H new ATOM 0 HG23 ILE A 101 0.924 0.378 -13.655 1.00 2.79 H new ATOM 0 HD11 ILE A 101 0.571 -3.791 -11.978 1.00 0.76 H new ATOM 0 HD12 ILE A 101 2.329 -3.559 -12.130 1.00 0.76 H new ATOM 0 HD13 ILE A 101 1.339 -2.339 -11.295 1.00 0.76 H new ATOM 1493 N SER A 102 2.543 0.948 -15.965 1.00 0.56 N ATOM 1494 CA SER A 102 2.986 2.299 -16.284 1.00 0.59 C ATOM 1495 C SER A 102 2.638 3.285 -15.171 1.00 0.50 C ATOM 1496 O SER A 102 3.368 4.260 -14.985 1.00 0.59 O ATOM 1497 CB SER A 102 2.401 2.756 -17.623 1.00 0.78 C ATOM 1498 OG SER A 102 3.023 2.062 -18.686 1.00 1.02 O ATOM 0 H SER A 102 1.552 0.786 -16.143 1.00 0.56 H new ATOM 0 HA SER A 102 4.072 2.279 -16.371 1.00 0.59 H new ATOM 0 HB2 SER A 102 1.326 2.575 -17.640 1.00 0.78 H new ATOM 0 HB3 SER A 102 2.546 3.829 -17.745 1.00 0.78 H new ATOM 0 HG SER A 102 2.642 2.359 -19.538 1.00 1.02 H new ATOM 1504 N SER A 103 1.562 3.070 -14.410 1.00 0.47 N ATOM 1505 CA SER A 103 1.183 4.013 -13.367 1.00 0.48 C ATOM 1506 C SER A 103 0.481 3.290 -12.224 1.00 0.53 C ATOM 1507 O SER A 103 -0.332 2.397 -12.456 1.00 0.67 O ATOM 1508 CB SER A 103 0.290 5.096 -13.979 1.00 0.63 C ATOM 1509 OG SER A 103 -0.805 4.520 -14.666 1.00 1.28 O ATOM 0 H SER A 103 0.948 2.261 -14.498 1.00 0.47 H new ATOM 0 HA SER A 103 2.074 4.484 -12.951 1.00 0.48 H new ATOM 0 HB2 SER A 103 -0.076 5.758 -13.194 1.00 0.63 H new ATOM 0 HB3 SER A 103 0.874 5.709 -14.666 1.00 0.63 H new ATOM 0 HG SER A 103 -1.362 5.230 -15.047 1.00 1.28 H new ATOM 1515 N VAL A 104 0.791 3.651 -10.979 1.00 0.46 N ATOM 1516 CA VAL A 104 0.151 2.998 -9.854 1.00 0.48 C ATOM 1517 C VAL A 104 -0.043 3.979 -8.711 1.00 0.49 C ATOM 1518 O VAL A 104 0.794 4.845 -8.447 1.00 0.50 O ATOM 1519 CB VAL A 104 0.921 1.724 -9.471 1.00 0.46 C ATOM 1520 CG1 VAL A 104 2.438 1.927 -9.469 1.00 0.37 C ATOM 1521 CG2 VAL A 104 0.482 1.127 -8.128 1.00 0.54 C ATOM 0 H VAL A 104 1.466 4.375 -10.734 1.00 0.46 H new ATOM 0 HA VAL A 104 -0.850 2.669 -10.132 1.00 0.48 H new ATOM 0 HB VAL A 104 0.666 1.010 -10.254 1.00 0.46 H new ATOM 0 HG11 VAL A 104 2.929 0.995 -9.191 1.00 0.37 H new ATOM 0 HG12 VAL A 104 2.766 2.228 -10.464 1.00 0.37 H new ATOM 0 HG13 VAL A 104 2.700 2.703 -8.750 1.00 0.37 H new ATOM 0 HG21 VAL A 104 1.066 0.231 -7.920 1.00 0.54 H new ATOM 0 HG22 VAL A 104 0.643 1.857 -7.335 1.00 0.54 H new ATOM 0 HG23 VAL A 104 -0.576 0.868 -8.173 1.00 0.54 H new ATOM 1531 N ALA A 105 -1.184 3.827 -8.040 1.00 0.52 N ATOM 1532 CA ALA A 105 -1.510 4.585 -6.852 1.00 0.52 C ATOM 1533 C ALA A 105 -1.114 3.767 -5.636 1.00 0.50 C ATOM 1534 O ALA A 105 -1.422 2.575 -5.571 1.00 0.66 O ATOM 1535 CB ALA A 105 -3.007 4.848 -6.836 1.00 0.70 C ATOM 0 H ALA A 105 -1.910 3.165 -8.316 1.00 0.52 H new ATOM 0 HA ALA A 105 -0.977 5.536 -6.842 1.00 0.52 H new ATOM 0 HB1 ALA A 105 -3.267 5.419 -5.945 1.00 0.70 H new ATOM 0 HB2 ALA A 105 -3.286 5.415 -7.724 1.00 0.70 H new ATOM 0 HB3 ALA A 105 -3.543 3.899 -6.828 1.00 0.70 H new ATOM 1541 N ILE A 106 -0.447 4.409 -4.676 1.00 0.38 N ATOM 1542 CA ILE A 106 0.165 3.738 -3.552 1.00 0.35 C ATOM 1543 C ILE A 106 -0.160 4.488 -2.259 1.00 0.30 C ATOM 1544 O ILE A 106 0.187 5.662 -2.121 1.00 0.29 O ATOM 1545 CB ILE A 106 1.659 3.541 -3.847 1.00 0.34 C ATOM 1546 CG1 ILE A 106 2.306 2.658 -2.769 1.00 0.64 C ATOM 1547 CG2 ILE A 106 2.441 4.849 -4.025 1.00 0.39 C ATOM 1548 CD1 ILE A 106 3.078 1.516 -3.427 1.00 1.20 C ATOM 0 H ILE A 106 -0.321 5.421 -4.666 1.00 0.38 H new ATOM 0 HA ILE A 106 -0.243 2.738 -3.401 1.00 0.35 H new ATOM 0 HB ILE A 106 1.711 3.037 -4.812 1.00 0.34 H new ATOM 0 HG12 ILE A 106 2.978 3.255 -2.153 1.00 0.64 H new ATOM 0 HG13 ILE A 106 1.539 2.256 -2.107 1.00 0.64 H new ATOM 0 HG21 ILE A 106 3.487 4.622 -4.230 1.00 0.39 H new ATOM 0 HG22 ILE A 106 2.022 5.413 -4.858 1.00 0.39 H new ATOM 0 HG23 ILE A 106 2.370 5.442 -3.113 1.00 0.39 H new ATOM 0 HD11 ILE A 106 3.534 0.894 -2.657 1.00 1.20 H new ATOM 0 HD12 ILE A 106 2.395 0.912 -4.024 1.00 1.20 H new ATOM 0 HD13 ILE A 106 3.856 1.926 -4.070 1.00 1.20 H new ATOM 1560 N PRO A 107 -0.889 3.856 -1.326 1.00 0.32 N ATOM 1561 CA PRO A 107 -1.278 4.516 -0.106 1.00 0.33 C ATOM 1562 C PRO A 107 -0.130 4.537 0.892 1.00 0.34 C ATOM 1563 O PRO A 107 0.643 3.582 0.998 1.00 0.43 O ATOM 1564 CB PRO A 107 -2.479 3.749 0.439 1.00 0.38 C ATOM 1565 CG PRO A 107 -2.279 2.338 -0.112 1.00 0.43 C ATOM 1566 CD PRO A 107 -1.515 2.550 -1.419 1.00 0.39 C ATOM 0 HA PRO A 107 -1.539 5.558 -0.289 1.00 0.33 H new ATOM 0 HB2 PRO A 107 -2.499 3.756 1.529 1.00 0.38 H new ATOM 0 HB3 PRO A 107 -3.420 4.183 0.100 1.00 0.38 H new ATOM 0 HG2 PRO A 107 -1.715 1.716 0.583 1.00 0.43 H new ATOM 0 HG3 PRO A 107 -3.233 1.839 -0.285 1.00 0.43 H new ATOM 0 HD2 PRO A 107 -0.766 1.771 -1.561 1.00 0.39 H new ATOM 0 HD3 PRO A 107 -2.189 2.504 -2.274 1.00 0.39 H new ATOM 1574 N LEU A 108 -0.041 5.614 1.672 1.00 0.33 N ATOM 1575 CA LEU A 108 0.914 5.687 2.753 1.00 0.33 C ATOM 1576 C LEU A 108 0.487 4.717 3.858 1.00 0.41 C ATOM 1577 O LEU A 108 -0.356 5.051 4.694 1.00 0.57 O ATOM 1578 CB LEU A 108 1.013 7.149 3.228 1.00 0.36 C ATOM 1579 CG LEU A 108 2.259 7.424 4.083 1.00 0.39 C ATOM 1580 CD1 LEU A 108 2.158 6.724 5.433 1.00 0.66 C ATOM 1581 CD2 LEU A 108 3.509 7.031 3.299 1.00 0.65 C ATOM 0 H LEU A 108 -0.624 6.444 1.567 1.00 0.33 H new ATOM 0 HA LEU A 108 1.911 5.385 2.432 1.00 0.33 H new ATOM 0 HB2 LEU A 108 1.024 7.807 2.359 1.00 0.36 H new ATOM 0 HB3 LEU A 108 0.122 7.398 3.805 1.00 0.36 H new ATOM 0 HG LEU A 108 2.329 8.489 4.302 1.00 0.39 H new ATOM 0 HD11 LEU A 108 3.052 6.934 6.020 1.00 0.66 H new ATOM 0 HD12 LEU A 108 1.280 7.088 5.967 1.00 0.66 H new ATOM 0 HD13 LEU A 108 2.069 5.649 5.279 1.00 0.66 H new ATOM 0 HD21 LEU A 108 4.394 7.226 3.904 1.00 0.65 H new ATOM 0 HD22 LEU A 108 3.465 5.970 3.051 1.00 0.65 H new ATOM 0 HD23 LEU A 108 3.562 7.616 2.381 1.00 0.65 H new ATOM 1593 N LEU A 109 1.083 3.519 3.880 1.00 0.45 N ATOM 1594 CA LEU A 109 0.827 2.519 4.909 1.00 0.56 C ATOM 1595 C LEU A 109 1.044 3.130 6.293 1.00 0.78 C ATOM 1596 O LEU A 109 2.170 3.392 6.721 1.00 0.90 O ATOM 1597 CB LEU A 109 1.697 1.267 4.722 1.00 0.59 C ATOM 1598 CG LEU A 109 0.997 0.143 3.949 1.00 0.70 C ATOM 1599 CD1 LEU A 109 0.683 0.529 2.502 1.00 1.20 C ATOM 1600 CD2 LEU A 109 1.903 -1.086 3.968 1.00 1.30 C ATOM 0 H LEU A 109 1.760 3.220 3.178 1.00 0.45 H new ATOM 0 HA LEU A 109 -0.212 2.201 4.818 1.00 0.56 H new ATOM 0 HB2 LEU A 109 2.610 1.545 4.196 1.00 0.59 H new ATOM 0 HB3 LEU A 109 1.995 0.892 5.701 1.00 0.59 H new ATOM 0 HG LEU A 109 0.042 -0.061 4.434 1.00 0.70 H new ATOM 0 HD11 LEU A 109 0.188 -0.304 2.002 1.00 1.20 H new ATOM 0 HD12 LEU A 109 0.027 1.400 2.492 1.00 1.20 H new ATOM 0 HD13 LEU A 109 1.610 0.767 1.980 1.00 1.20 H new ATOM 0 HD21 LEU A 109 1.424 -1.899 3.423 1.00 1.30 H new ATOM 0 HD22 LEU A 109 2.855 -0.844 3.496 1.00 1.30 H new ATOM 0 HD23 LEU A 109 2.078 -1.393 4.999 1.00 1.30 H new ATOM 1612 N SER A 110 -0.083 3.358 6.963 1.00 1.67 N ATOM 1613 CA SER A 110 -0.207 3.710 8.365 1.00 1.92 C ATOM 1614 C SER A 110 -1.698 3.770 8.689 1.00 2.16 C ATOM 1615 O SER A 110 -2.305 4.835 8.754 1.00 3.03 O ATOM 1616 CB SER A 110 0.508 5.024 8.669 1.00 2.86 C ATOM 1617 OG SER A 110 0.135 6.066 7.785 1.00 4.52 O ATOM 0 H SER A 110 -0.992 3.296 6.505 1.00 1.67 H new ATOM 0 HA SER A 110 0.274 2.962 8.996 1.00 1.92 H new ATOM 0 HB2 SER A 110 0.287 5.325 9.693 1.00 2.86 H new ATOM 0 HB3 SER A 110 1.585 4.869 8.608 1.00 2.86 H new ATOM 0 HG SER A 110 -0.842 6.118 7.735 1.00 4.52 H new ATOM 1623 N THR A 111 -2.302 2.595 8.838 1.00 1.77 N ATOM 1624 CA THR A 111 -3.682 2.435 9.266 1.00 2.51 C ATOM 1625 C THR A 111 -3.709 1.200 10.170 1.00 2.45 C ATOM 1626 O THR A 111 -2.640 0.765 10.608 1.00 2.49 O ATOM 1627 CB THR A 111 -4.604 2.307 8.041 1.00 3.38 C ATOM 1628 OG1 THR A 111 -4.113 1.320 7.163 1.00 4.43 O ATOM 1629 CG2 THR A 111 -4.748 3.620 7.266 1.00 2.84 C ATOM 0 H THR A 111 -1.831 1.708 8.659 1.00 1.77 H new ATOM 0 HA THR A 111 -4.050 3.299 9.820 1.00 2.51 H new ATOM 0 HB THR A 111 -5.586 2.031 8.424 1.00 3.38 H new ATOM 0 HG1 THR A 111 -4.708 1.246 6.388 1.00 4.43 H new ATOM 0 HG21 THR A 111 -5.410 3.468 6.413 1.00 2.84 H new ATOM 0 HG22 THR A 111 -5.168 4.384 7.920 1.00 2.84 H new ATOM 0 HG23 THR A 111 -3.769 3.943 6.913 1.00 2.84 H new ATOM 1637 N GLY A 112 -4.890 0.636 10.450 1.00 3.35 N ATOM 1638 CA GLY A 112 -5.033 -0.632 11.150 1.00 3.85 C ATOM 1639 C GLY A 112 -4.254 -0.642 12.460 1.00 2.80 C ATOM 1640 O GLY A 112 -4.530 0.158 13.350 1.00 2.69 O ATOM 0 H GLY A 112 -5.781 1.059 10.190 1.00 3.35 H new ATOM 0 HA2 GLY A 112 -6.088 -0.820 11.352 1.00 3.85 H new ATOM 0 HA3 GLY A 112 -4.682 -1.442 10.511 1.00 3.85 H new ATOM 1644 N ILE A 113 -3.267 -1.534 12.572 1.00 2.69 N ATOM 1645 CA ILE A 113 -2.430 -1.668 13.760 1.00 2.30 C ATOM 1646 C ILE A 113 -0.960 -1.535 13.342 1.00 1.87 C ATOM 1647 O ILE A 113 -0.056 -2.138 13.915 1.00 2.40 O ATOM 1648 CB ILE A 113 -2.822 -2.963 14.503 1.00 3.32 C ATOM 1649 CG1 ILE A 113 -2.011 -3.157 15.797 1.00 4.90 C ATOM 1650 CG2 ILE A 113 -2.722 -4.206 13.604 1.00 3.98 C ATOM 1651 CD1 ILE A 113 -2.788 -3.958 16.844 1.00 6.01 C ATOM 0 H ILE A 113 -3.026 -2.190 11.829 1.00 2.69 H new ATOM 0 HA ILE A 113 -2.587 -0.873 14.489 1.00 2.30 H new ATOM 0 HB ILE A 113 -3.869 -2.845 14.782 1.00 3.32 H new ATOM 0 HG12 ILE A 113 -1.078 -3.671 15.567 1.00 4.90 H new ATOM 0 HG13 ILE A 113 -1.746 -2.183 16.209 1.00 4.90 H new ATOM 0 HG21 ILE A 113 -3.008 -5.091 14.173 1.00 3.98 H new ATOM 0 HG22 ILE A 113 -3.390 -4.092 12.750 1.00 3.98 H new ATOM 0 HG23 ILE A 113 -1.697 -4.318 13.250 1.00 3.98 H new ATOM 0 HD11 ILE A 113 -2.179 -4.071 17.741 1.00 6.01 H new ATOM 0 HD12 ILE A 113 -3.709 -3.432 17.095 1.00 6.01 H new ATOM 0 HD13 ILE A 113 -3.030 -4.942 16.443 1.00 6.01 H new ATOM 1663 N PHE A 114 -0.720 -0.683 12.343 1.00 1.28 N ATOM 1664 CA PHE A 114 0.563 -0.522 11.666 1.00 1.26 C ATOM 1665 C PHE A 114 1.049 0.916 11.832 1.00 1.23 C ATOM 1666 O PHE A 114 1.779 1.436 10.994 1.00 2.14 O ATOM 1667 CB PHE A 114 0.392 -0.881 10.181 1.00 1.44 C ATOM 1668 CG PHE A 114 -0.566 -2.031 9.931 1.00 1.52 C ATOM 1669 CD1 PHE A 114 -1.709 -1.841 9.131 1.00 2.36 C ATOM 1670 CD2 PHE A 114 -0.358 -3.267 10.568 1.00 2.56 C ATOM 1671 CE1 PHE A 114 -2.652 -2.872 8.993 1.00 3.07 C ATOM 1672 CE2 PHE A 114 -1.297 -4.300 10.424 1.00 3.69 C ATOM 1673 CZ PHE A 114 -2.452 -4.095 9.655 1.00 3.64 C ATOM 0 H PHE A 114 -1.442 -0.065 11.972 1.00 1.28 H new ATOM 0 HA PHE A 114 1.309 -1.186 12.103 1.00 1.26 H new ATOM 0 HB2 PHE A 114 0.036 -0.002 9.644 1.00 1.44 H new ATOM 0 HB3 PHE A 114 1.367 -1.136 9.765 1.00 1.44 H new ATOM 0 HD1 PHE A 114 -1.861 -0.900 8.623 1.00 2.36 H new ATOM 0 HD2 PHE A 114 0.526 -3.422 11.169 1.00 2.56 H new ATOM 0 HE1 PHE A 114 -3.529 -2.725 8.380 1.00 3.07 H new ATOM 0 HE2 PHE A 114 -1.130 -5.252 10.905 1.00 3.69 H new ATOM 0 HZ PHE A 114 -3.190 -4.879 9.572 1.00 3.64 H new ATOM 1683 N SER A 115 0.607 1.585 12.902 1.00 0.94 N ATOM 1684 CA SER A 115 0.859 3.003 13.110 1.00 1.24 C ATOM 1685 C SER A 115 1.191 3.295 14.571 1.00 1.52 C ATOM 1686 O SER A 115 0.792 4.330 15.097 1.00 2.97 O ATOM 1687 CB SER A 115 -0.379 3.795 12.681 1.00 1.48 C ATOM 1688 OG SER A 115 -0.774 3.421 11.378 1.00 2.01 O ATOM 0 H SER A 115 0.063 1.151 13.647 1.00 0.94 H new ATOM 0 HA SER A 115 1.718 3.302 12.510 1.00 1.24 H new ATOM 0 HB2 SER A 115 -1.195 3.615 13.381 1.00 1.48 H new ATOM 0 HB3 SER A 115 -0.164 4.863 12.710 1.00 1.48 H new ATOM 0 HG SER A 115 -1.732 3.215 11.373 1.00 2.01 H new ATOM 1694 N ALA A 116 1.900 2.378 15.236 1.00 0.94 N ATOM 1695 CA ALA A 116 2.139 2.441 16.672 1.00 0.91 C ATOM 1696 C ALA A 116 3.084 3.592 17.014 1.00 1.25 C ATOM 1697 O ALA A 116 4.291 3.398 17.109 1.00 2.03 O ATOM 1698 CB ALA A 116 2.702 1.097 17.141 1.00 0.80 C ATOM 0 H ALA A 116 2.325 1.568 14.786 1.00 0.94 H new ATOM 0 HA ALA A 116 1.200 2.633 17.192 1.00 0.91 H new ATOM 0 HB1 ALA A 116 2.884 1.134 18.215 1.00 0.80 H new ATOM 0 HB2 ALA A 116 1.985 0.306 16.922 1.00 0.80 H new ATOM 0 HB3 ALA A 116 3.638 0.893 16.621 1.00 0.80 H new ATOM 1704 N GLY A 117 2.539 4.800 17.169 1.00 1.43 N ATOM 1705 CA GLY A 117 3.344 5.999 17.340 1.00 1.83 C ATOM 1706 C GLY A 117 4.291 6.190 16.157 1.00 1.48 C ATOM 1707 O GLY A 117 5.432 6.603 16.340 1.00 1.90 O ATOM 0 H GLY A 117 1.533 4.969 17.179 1.00 1.43 H new ATOM 0 HA2 GLY A 117 2.694 6.869 17.435 1.00 1.83 H new ATOM 0 HA3 GLY A 117 3.918 5.928 18.264 1.00 1.83 H new ATOM 1711 N LYS A 118 3.829 5.889 14.938 1.00 1.37 N ATOM 1712 CA LYS A 118 4.663 6.053 13.755 1.00 1.19 C ATOM 1713 C LYS A 118 4.968 7.534 13.560 1.00 1.77 C ATOM 1714 O LYS A 118 4.113 8.369 13.849 1.00 2.76 O ATOM 1715 CB LYS A 118 3.990 5.420 12.526 1.00 2.25 C ATOM 1716 CG LYS A 118 2.631 6.029 12.136 1.00 4.30 C ATOM 1717 CD LYS A 118 2.731 7.178 11.128 1.00 6.04 C ATOM 1718 CE LYS A 118 1.307 7.629 10.784 1.00 8.22 C ATOM 1719 NZ LYS A 118 1.173 8.034 9.368 1.00 9.85 N ATOM 0 H LYS A 118 2.891 5.534 14.752 1.00 1.37 H new ATOM 0 HA LYS A 118 5.610 5.530 13.890 1.00 1.19 H new ATOM 0 HB2 LYS A 118 4.667 5.508 11.676 1.00 2.25 H new ATOM 0 HB3 LYS A 118 3.852 4.355 12.715 1.00 2.25 H new ATOM 0 HG2 LYS A 118 2.000 5.245 11.717 1.00 4.30 H new ATOM 0 HG3 LYS A 118 2.135 6.391 13.036 1.00 4.30 H new ATOM 0 HD2 LYS A 118 3.302 8.006 11.549 1.00 6.04 H new ATOM 0 HD3 LYS A 118 3.256 6.853 10.230 1.00 6.04 H new ATOM 0 HE2 LYS A 118 0.610 6.818 10.995 1.00 8.22 H new ATOM 0 HE3 LYS A 118 1.028 8.464 11.426 1.00 8.22 H new ATOM 0 HZ1 LYS A 118 0.870 9.028 9.318 1.00 9.85 H new ATOM 0 HZ2 LYS A 118 2.090 7.927 8.888 1.00 9.85 H new ATOM 0 HZ3 LYS A 118 0.465 7.432 8.900 1.00 9.85 H new ATOM 1733 N ASP A 119 6.150 7.843 13.024 1.00 2.78 N ATOM 1734 CA ASP A 119 6.620 9.211 12.827 1.00 4.14 C ATOM 1735 C ASP A 119 5.666 9.997 11.938 1.00 2.78 C ATOM 1736 O ASP A 119 4.876 10.824 12.399 1.00 3.02 O ATOM 1737 CB ASP A 119 8.022 9.201 12.201 1.00 6.28 C ATOM 1738 CG ASP A 119 9.094 8.959 13.250 1.00 7.94 C ATOM 1739 OD1 ASP A 119 9.238 9.846 14.118 1.00 8.74 O ATOM 1740 OD2 ASP A 119 9.724 7.885 13.167 1.00 8.84 O ATOM 0 H ASP A 119 6.816 7.137 12.710 1.00 2.78 H new ATOM 0 HA ASP A 119 6.660 9.697 13.802 1.00 4.14 H new ATOM 0 HB2 ASP A 119 8.076 8.425 11.437 1.00 6.28 H new ATOM 0 HB3 ASP A 119 8.207 10.152 11.702 1.00 6.28 H new ATOM 1745 N ARG A 120 5.757 9.790 10.624 1.00 1.94 N ATOM 1746 CA ARG A 120 4.974 10.582 9.698 1.00 0.91 C ATOM 1747 C ARG A 120 4.860 9.866 8.370 1.00 0.59 C ATOM 1748 O ARG A 120 5.527 8.866 8.118 1.00 0.54 O ATOM 1749 CB ARG A 120 5.638 11.957 9.493 1.00 1.91 C ATOM 1750 CG ARG A 120 4.611 13.090 9.625 1.00 2.69 C ATOM 1751 CD ARG A 120 4.607 13.685 11.042 1.00 3.18 C ATOM 1752 NE ARG A 120 3.270 13.687 11.653 1.00 3.93 N ATOM 1753 CZ ARG A 120 2.221 14.402 11.232 1.00 5.61 C ATOM 1754 NH1 ARG A 120 1.061 14.341 11.889 1.00 6.58 N ATOM 1755 NH2 ARG A 120 2.332 15.169 10.145 1.00 6.84 N ATOM 0 H ARG A 120 6.358 9.090 10.189 1.00 1.94 H new ATOM 0 HA ARG A 120 3.976 10.724 10.112 1.00 0.91 H new ATOM 0 HB2 ARG A 120 6.432 12.094 10.227 1.00 1.91 H new ATOM 0 HB3 ARG A 120 6.104 11.997 8.508 1.00 1.91 H new ATOM 0 HG2 ARG A 120 4.837 13.873 8.901 1.00 2.69 H new ATOM 0 HG3 ARG A 120 3.617 12.711 9.386 1.00 2.69 H new ATOM 0 HD2 ARG A 120 5.289 13.115 11.673 1.00 3.18 H new ATOM 0 HD3 ARG A 120 4.986 14.706 11.004 1.00 3.18 H new ATOM 0 HE ARG A 120 3.130 13.091 12.469 1.00 3.93 H new ATOM 0 HH11 ARG A 120 0.973 13.748 12.714 1.00 6.58 H new ATOM 0 HH12 ARG A 120 0.263 14.887 11.566 1.00 6.58 H new ATOM 0 HH21 ARG A 120 3.216 15.209 9.637 1.00 6.84 H new ATOM 0 HH22 ARG A 120 1.533 15.715 9.822 1.00 6.84 H new ATOM 1769 N VAL A 121 4.067 10.452 7.479 1.00 0.47 N ATOM 1770 CA VAL A 121 4.019 10.035 6.091 1.00 0.39 C ATOM 1771 C VAL A 121 5.403 10.077 5.482 1.00 0.43 C ATOM 1772 O VAL A 121 5.759 9.171 4.753 1.00 0.52 O ATOM 1773 CB VAL A 121 3.021 10.882 5.300 1.00 0.39 C ATOM 1774 CG1 VAL A 121 1.673 10.808 6.014 1.00 0.40 C ATOM 1775 CG2 VAL A 121 3.489 12.324 5.177 1.00 0.41 C ATOM 0 H VAL A 121 3.443 11.227 7.703 1.00 0.47 H new ATOM 0 HA VAL A 121 3.668 9.004 6.047 1.00 0.39 H new ATOM 0 HB VAL A 121 2.934 10.494 4.285 1.00 0.39 H new ATOM 0 HG11 VAL A 121 0.940 11.404 5.471 1.00 0.40 H new ATOM 0 HG12 VAL A 121 1.339 9.771 6.054 1.00 0.40 H new ATOM 0 HG13 VAL A 121 1.776 11.195 7.028 1.00 0.40 H new ATOM 0 HG21 VAL A 121 2.756 12.897 4.609 1.00 0.41 H new ATOM 0 HG22 VAL A 121 3.597 12.757 6.171 1.00 0.41 H new ATOM 0 HG23 VAL A 121 4.449 12.352 4.662 1.00 0.41 H new ATOM 1785 N HIS A 122 6.208 11.093 5.792 1.00 0.48 N ATOM 1786 CA HIS A 122 7.540 11.173 5.209 1.00 0.66 C ATOM 1787 C HIS A 122 8.361 9.938 5.550 1.00 0.64 C ATOM 1788 O HIS A 122 9.261 9.584 4.798 1.00 0.74 O ATOM 1789 CB HIS A 122 8.302 12.446 5.629 1.00 0.88 C ATOM 1790 CG HIS A 122 9.119 12.339 6.896 1.00 1.27 C ATOM 1791 ND1 HIS A 122 10.225 11.533 7.095 1.00 2.24 N ATOM 1792 CD2 HIS A 122 8.914 13.046 8.048 1.00 2.62 C ATOM 1793 CE1 HIS A 122 10.641 11.721 8.360 1.00 3.16 C ATOM 1794 NE2 HIS A 122 9.878 12.642 8.973 1.00 3.49 N ATOM 0 H HIS A 122 5.967 11.853 6.428 1.00 0.48 H new ATOM 0 HA HIS A 122 7.397 11.222 4.130 1.00 0.66 H new ATOM 0 HB2 HIS A 122 8.967 12.734 4.814 1.00 0.88 H new ATOM 0 HB3 HIS A 122 7.581 13.254 5.752 1.00 0.88 H new ATOM 0 HD2 HIS A 122 8.144 13.785 8.213 1.00 2.62 H new ATOM 0 HE1 HIS A 122 11.471 11.205 8.819 1.00 3.16 H new ATOM 0 HE2 HIS A 122 9.983 12.980 9.929 1.00 3.49 H new ATOM 1802 N GLN A 123 8.121 9.327 6.710 1.00 0.55 N ATOM 1803 CA GLN A 123 8.926 8.202 7.141 1.00 0.55 C ATOM 1804 C GLN A 123 8.467 6.997 6.348 1.00 0.39 C ATOM 1805 O GLN A 123 9.279 6.310 5.730 1.00 0.44 O ATOM 1806 CB GLN A 123 8.786 7.977 8.652 1.00 0.72 C ATOM 1807 CG GLN A 123 9.764 6.907 9.161 1.00 1.05 C ATOM 1808 CD GLN A 123 11.223 7.285 8.909 1.00 2.68 C ATOM 1809 OE1 GLN A 123 11.564 8.463 8.826 1.00 4.04 O ATOM 1810 NE2 GLN A 123 12.100 6.305 8.742 1.00 3.41 N ATOM 0 H GLN A 123 7.380 9.595 7.358 1.00 0.55 H new ATOM 0 HA GLN A 123 9.985 8.387 6.959 1.00 0.55 H new ATOM 0 HB2 GLN A 123 8.967 8.915 9.178 1.00 0.72 H new ATOM 0 HB3 GLN A 123 7.764 7.675 8.882 1.00 0.72 H new ATOM 0 HG2 GLN A 123 9.610 6.756 10.229 1.00 1.05 H new ATOM 0 HG3 GLN A 123 9.547 5.958 8.671 1.00 1.05 H new ATOM 0 HE21 GLN A 123 11.799 5.333 8.815 1.00 3.41 H new ATOM 0 HE22 GLN A 123 13.076 6.523 8.541 1.00 3.41 H new ATOM 1819 N SER A 124 7.152 6.769 6.307 1.00 0.36 N ATOM 1820 CA SER A 124 6.638 5.612 5.600 1.00 0.45 C ATOM 1821 C SER A 124 7.062 5.689 4.130 1.00 0.43 C ATOM 1822 O SER A 124 7.557 4.717 3.568 1.00 0.59 O ATOM 1823 CB SER A 124 5.125 5.587 5.779 1.00 0.60 C ATOM 1824 OG SER A 124 4.777 5.253 7.108 1.00 1.19 O ATOM 0 H SER A 124 6.445 7.359 6.746 1.00 0.36 H new ATOM 0 HA SER A 124 7.043 4.681 5.997 1.00 0.45 H new ATOM 0 HB2 SER A 124 4.709 6.562 5.525 1.00 0.60 H new ATOM 0 HB3 SER A 124 4.686 4.864 5.092 1.00 0.60 H new ATOM 0 HG SER A 124 3.991 4.667 7.103 1.00 1.19 H new ATOM 1830 N LEU A 125 6.921 6.867 3.519 1.00 0.41 N ATOM 1831 CA LEU A 125 7.253 7.114 2.129 1.00 0.56 C ATOM 1832 C LEU A 125 8.749 7.261 1.901 1.00 0.45 C ATOM 1833 O LEU A 125 9.169 7.217 0.757 1.00 0.50 O ATOM 1834 CB LEU A 125 6.469 8.301 1.545 1.00 0.92 C ATOM 1835 CG LEU A 125 7.034 9.693 1.820 1.00 1.00 C ATOM 1836 CD1 LEU A 125 8.025 10.203 0.772 1.00 2.40 C ATOM 1837 CD2 LEU A 125 5.855 10.673 1.829 1.00 1.62 C ATOM 0 H LEU A 125 6.562 7.693 3.997 1.00 0.41 H new ATOM 0 HA LEU A 125 6.941 6.224 1.583 1.00 0.56 H new ATOM 0 HB2 LEU A 125 6.402 8.167 0.465 1.00 0.92 H new ATOM 0 HB3 LEU A 125 5.452 8.263 1.935 1.00 0.92 H new ATOM 0 HG LEU A 125 7.574 9.626 2.764 1.00 1.00 H new ATOM 0 HD11 LEU A 125 8.371 11.198 1.052 1.00 2.40 H new ATOM 0 HD12 LEU A 125 8.876 9.525 0.716 1.00 2.40 H new ATOM 0 HD13 LEU A 125 7.534 10.250 -0.200 1.00 2.40 H new ATOM 0 HD21 LEU A 125 6.221 11.681 2.023 1.00 1.62 H new ATOM 0 HD22 LEU A 125 5.354 10.649 0.861 1.00 1.62 H new ATOM 0 HD23 LEU A 125 5.150 10.387 2.609 1.00 1.62 H new ATOM 1849 N SER A 126 9.581 7.407 2.930 1.00 0.39 N ATOM 1850 CA SER A 126 11.008 7.222 2.688 1.00 0.42 C ATOM 1851 C SER A 126 11.243 5.775 2.271 1.00 0.35 C ATOM 1852 O SER A 126 11.930 5.518 1.284 1.00 0.40 O ATOM 1853 CB SER A 126 11.847 7.599 3.909 1.00 0.48 C ATOM 1854 OG SER A 126 11.878 9.005 4.021 1.00 0.81 O ATOM 0 H SER A 126 9.313 7.639 3.886 1.00 0.39 H new ATOM 0 HA SER A 126 11.327 7.889 1.887 1.00 0.42 H new ATOM 0 HB2 SER A 126 11.422 7.158 4.810 1.00 0.48 H new ATOM 0 HB3 SER A 126 12.859 7.206 3.808 1.00 0.48 H new ATOM 0 HG SER A 126 10.999 9.330 4.308 1.00 0.81 H new ATOM 1860 N HIS A 127 10.654 4.820 2.992 1.00 0.31 N ATOM 1861 CA HIS A 127 10.851 3.422 2.646 1.00 0.32 C ATOM 1862 C HIS A 127 10.111 3.094 1.348 1.00 0.34 C ATOM 1863 O HIS A 127 10.635 2.354 0.518 1.00 0.43 O ATOM 1864 CB HIS A 127 10.437 2.528 3.817 1.00 0.36 C ATOM 1865 CG HIS A 127 11.149 2.913 5.091 1.00 0.52 C ATOM 1866 ND1 HIS A 127 12.500 2.793 5.339 1.00 0.77 N ATOM 1867 CD2 HIS A 127 10.589 3.560 6.159 1.00 0.82 C ATOM 1868 CE1 HIS A 127 12.738 3.347 6.543 1.00 0.89 C ATOM 1869 NE2 HIS A 127 11.607 3.842 7.071 1.00 0.97 N ATOM 0 H HIS A 127 10.052 4.987 3.798 1.00 0.31 H new ATOM 0 HA HIS A 127 11.908 3.228 2.462 1.00 0.32 H new ATOM 0 HB2 HIS A 127 9.360 2.599 3.966 1.00 0.36 H new ATOM 0 HB3 HIS A 127 10.657 1.488 3.577 1.00 0.36 H new ATOM 0 HD1 HIS A 127 13.191 2.364 4.724 1.00 0.77 H new ATOM 0 HD2 HIS A 127 9.544 3.808 6.275 1.00 0.82 H new ATOM 0 HE1 HIS A 127 13.707 3.388 7.019 1.00 0.89 H new ATOM 1877 N LEU A 128 8.905 3.643 1.151 1.00 0.34 N ATOM 1878 CA LEU A 128 8.173 3.401 -0.082 1.00 0.42 C ATOM 1879 C LEU A 128 8.925 3.986 -1.260 1.00 0.48 C ATOM 1880 O LEU A 128 9.256 3.245 -2.167 1.00 0.60 O ATOM 1881 CB LEU A 128 6.723 3.894 -0.031 1.00 0.66 C ATOM 1882 CG LEU A 128 5.872 3.513 -1.259 1.00 1.00 C ATOM 1883 CD1 LEU A 128 5.959 4.556 -2.377 1.00 1.95 C ATOM 1884 CD2 LEU A 128 6.179 2.136 -1.861 1.00 2.12 C ATOM 0 H LEU A 128 8.429 4.246 1.822 1.00 0.34 H new ATOM 0 HA LEU A 128 8.107 2.321 -0.210 1.00 0.42 H new ATOM 0 HB2 LEU A 128 6.247 3.491 0.863 1.00 0.66 H new ATOM 0 HB3 LEU A 128 6.725 4.979 0.070 1.00 0.66 H new ATOM 0 HG LEU A 128 4.862 3.475 -0.852 1.00 1.00 H new ATOM 0 HD11 LEU A 128 5.342 4.240 -3.218 1.00 1.95 H new ATOM 0 HD12 LEU A 128 5.603 5.517 -2.006 1.00 1.95 H new ATOM 0 HD13 LEU A 128 6.994 4.654 -2.703 1.00 1.95 H new ATOM 0 HD21 LEU A 128 5.529 1.961 -2.719 1.00 2.12 H new ATOM 0 HD22 LEU A 128 7.220 2.103 -2.182 1.00 2.12 H new ATOM 0 HD23 LEU A 128 6.006 1.364 -1.111 1.00 2.12 H new ATOM 1896 N LEU A 129 9.190 5.289 -1.304 1.00 0.55 N ATOM 1897 CA LEU A 129 9.886 5.868 -2.447 1.00 0.61 C ATOM 1898 C LEU A 129 11.186 5.120 -2.727 1.00 0.57 C ATOM 1899 O LEU A 129 11.433 4.798 -3.878 1.00 0.62 O ATOM 1900 CB LEU A 129 10.139 7.373 -2.290 1.00 0.73 C ATOM 1901 CG LEU A 129 8.870 8.240 -2.350 1.00 0.77 C ATOM 1902 CD1 LEU A 129 9.290 9.710 -2.419 1.00 1.28 C ATOM 1903 CD2 LEU A 129 7.998 7.926 -3.569 1.00 1.54 C ATOM 0 H LEU A 129 8.938 5.954 -0.573 1.00 0.55 H new ATOM 0 HA LEU A 129 9.226 5.753 -3.307 1.00 0.61 H new ATOM 0 HB2 LEU A 129 10.639 7.548 -1.337 1.00 0.73 H new ATOM 0 HB3 LEU A 129 10.824 7.698 -3.074 1.00 0.73 H new ATOM 0 HG LEU A 129 8.281 8.027 -1.458 1.00 0.77 H new ATOM 0 HD11 LEU A 129 8.402 10.340 -2.462 1.00 1.28 H new ATOM 0 HD12 LEU A 129 9.873 9.964 -1.533 1.00 1.28 H new ATOM 0 HD13 LEU A 129 9.895 9.874 -3.311 1.00 1.28 H new ATOM 0 HD21 LEU A 129 7.116 8.567 -3.561 1.00 1.54 H new ATOM 0 HD22 LEU A 129 8.568 8.105 -4.480 1.00 1.54 H new ATOM 0 HD23 LEU A 129 7.688 6.882 -3.535 1.00 1.54 H new ATOM 1915 N ALA A 130 11.992 4.786 -1.717 1.00 0.53 N ATOM 1916 CA ALA A 130 13.224 4.035 -1.952 1.00 0.55 C ATOM 1917 C ALA A 130 12.980 2.698 -2.672 1.00 0.50 C ATOM 1918 O ALA A 130 13.839 2.225 -3.411 1.00 0.58 O ATOM 1919 CB ALA A 130 13.947 3.813 -0.623 1.00 0.59 C ATOM 0 H ALA A 130 11.816 5.021 -0.740 1.00 0.53 H new ATOM 0 HA ALA A 130 13.851 4.629 -2.618 1.00 0.55 H new ATOM 0 HB1 ALA A 130 14.866 3.253 -0.798 1.00 0.59 H new ATOM 0 HB2 ALA A 130 14.189 4.777 -0.175 1.00 0.59 H new ATOM 0 HB3 ALA A 130 13.302 3.251 0.052 1.00 0.59 H new ATOM 1925 N ALA A 131 11.832 2.065 -2.437 1.00 0.44 N ATOM 1926 CA ALA A 131 11.410 0.829 -3.067 1.00 0.47 C ATOM 1927 C ALA A 131 10.825 1.069 -4.459 1.00 0.43 C ATOM 1928 O ALA A 131 11.289 0.492 -5.430 1.00 0.39 O ATOM 1929 CB ALA A 131 10.364 0.155 -2.180 1.00 0.53 C ATOM 0 H ALA A 131 11.145 2.421 -1.772 1.00 0.44 H new ATOM 0 HA ALA A 131 12.284 0.189 -3.185 1.00 0.47 H new ATOM 0 HB1 ALA A 131 10.039 -0.776 -2.644 1.00 0.53 H new ATOM 0 HB2 ALA A 131 10.798 -0.059 -1.203 1.00 0.53 H new ATOM 0 HB3 ALA A 131 9.508 0.818 -2.059 1.00 0.53 H new ATOM 1935 N MET A 132 9.758 1.851 -4.589 1.00 0.52 N ATOM 1936 CA MET A 132 9.067 2.031 -5.855 1.00 0.60 C ATOM 1937 C MET A 132 9.914 2.814 -6.859 1.00 0.60 C ATOM 1938 O MET A 132 9.676 2.727 -8.059 1.00 0.62 O ATOM 1939 CB MET A 132 7.722 2.708 -5.615 1.00 0.87 C ATOM 1940 CG MET A 132 6.809 2.543 -6.832 1.00 1.91 C ATOM 1941 SD MET A 132 5.079 2.969 -6.508 1.00 3.29 S ATOM 1942 CE MET A 132 4.345 1.322 -6.598 1.00 4.74 C ATOM 0 H MET A 132 9.350 2.377 -3.817 1.00 0.52 H new ATOM 0 HA MET A 132 8.893 1.049 -6.294 1.00 0.60 H new ATOM 0 HB2 MET A 132 7.244 2.278 -4.735 1.00 0.87 H new ATOM 0 HB3 MET A 132 7.874 3.768 -5.409 1.00 0.87 H new ATOM 0 HG2 MET A 132 7.182 3.169 -7.643 1.00 1.91 H new ATOM 0 HG3 MET A 132 6.861 1.510 -7.177 1.00 1.91 H new ATOM 0 HE1 MET A 132 3.303 1.370 -6.283 1.00 4.74 H new ATOM 0 HE2 MET A 132 4.397 0.956 -7.623 1.00 4.74 H new ATOM 0 HE3 MET A 132 4.891 0.644 -5.942 1.00 4.74 H new ATOM 1952 N ASP A 133 10.931 3.539 -6.395 1.00 0.63 N ATOM 1953 CA ASP A 133 11.938 4.152 -7.256 1.00 0.69 C ATOM 1954 C ASP A 133 12.610 3.085 -8.117 1.00 0.65 C ATOM 1955 O ASP A 133 12.958 3.339 -9.264 1.00 0.80 O ATOM 1956 CB ASP A 133 12.968 4.896 -6.403 1.00 0.76 C ATOM 1957 CG ASP A 133 14.078 5.514 -7.247 1.00 0.89 C ATOM 1958 OD1 ASP A 133 13.824 6.616 -7.785 1.00 1.81 O ATOM 1959 OD2 ASP A 133 15.168 4.904 -7.297 1.00 1.63 O ATOM 0 H ASP A 133 11.079 3.718 -5.402 1.00 0.63 H new ATOM 0 HA ASP A 133 11.457 4.871 -7.919 1.00 0.69 H new ATOM 0 HB2 ASP A 133 12.468 5.680 -5.834 1.00 0.76 H new ATOM 0 HB3 ASP A 133 13.405 4.207 -5.680 1.00 0.76 H new ATOM 1964 N THR A 134 12.732 1.859 -7.596 1.00 0.51 N ATOM 1965 CA THR A 134 13.388 0.782 -8.326 1.00 0.49 C ATOM 1966 C THR A 134 12.537 0.255 -9.497 1.00 0.46 C ATOM 1967 O THR A 134 12.983 -0.637 -10.215 1.00 0.73 O ATOM 1968 CB THR A 134 13.832 -0.349 -7.372 1.00 0.54 C ATOM 1969 OG1 THR A 134 12.789 -1.241 -7.044 1.00 0.53 O ATOM 1970 CG2 THR A 134 14.445 0.178 -6.064 1.00 0.60 C ATOM 0 H THR A 134 12.385 1.594 -6.674 1.00 0.51 H new ATOM 0 HA THR A 134 14.287 1.203 -8.776 1.00 0.49 H new ATOM 0 HB THR A 134 14.594 -0.886 -7.937 1.00 0.54 H new ATOM 0 HG1 THR A 134 12.153 -0.795 -6.447 1.00 0.53 H new ATOM 0 HG21 THR A 134 14.738 -0.663 -5.435 1.00 0.60 H new ATOM 0 HG22 THR A 134 15.322 0.784 -6.291 1.00 0.60 H new ATOM 0 HG23 THR A 134 13.710 0.787 -5.537 1.00 0.60 H new ATOM 1978 N THR A 135 11.311 0.763 -9.695 1.00 0.44 N ATOM 1979 CA THR A 135 10.415 0.269 -10.733 1.00 0.55 C ATOM 1980 C THR A 135 10.511 1.150 -11.978 1.00 0.71 C ATOM 1981 O THR A 135 11.462 1.908 -12.146 1.00 1.01 O ATOM 1982 CB THR A 135 8.974 0.188 -10.206 1.00 0.56 C ATOM 1983 OG1 THR A 135 8.313 1.439 -10.212 1.00 0.58 O ATOM 1984 CG2 THR A 135 8.928 -0.416 -8.805 1.00 0.58 C ATOM 0 H THR A 135 10.921 1.524 -9.139 1.00 0.44 H new ATOM 0 HA THR A 135 10.719 -0.739 -11.014 1.00 0.55 H new ATOM 0 HB THR A 135 8.441 -0.466 -10.896 1.00 0.56 H new ATOM 0 HG1 THR A 135 8.693 2.013 -9.515 1.00 0.58 H new ATOM 0 HG21 THR A 135 7.895 -0.459 -8.461 1.00 0.58 H new ATOM 0 HG22 THR A 135 9.345 -1.423 -8.829 1.00 0.58 H new ATOM 0 HG23 THR A 135 9.512 0.202 -8.123 1.00 0.58 H new ATOM 1992 N GLU A 136 9.502 1.089 -12.851 1.00 0.73 N ATOM 1993 CA GLU A 136 9.441 1.958 -14.011 1.00 0.89 C ATOM 1994 C GLU A 136 8.036 2.561 -14.147 1.00 0.76 C ATOM 1995 O GLU A 136 7.625 2.930 -15.244 1.00 1.06 O ATOM 1996 CB GLU A 136 9.906 1.175 -15.249 1.00 1.24 C ATOM 1997 CG GLU A 136 10.449 2.122 -16.325 1.00 1.91 C ATOM 1998 CD GLU A 136 11.001 1.352 -17.525 1.00 2.28 C ATOM 1999 OE1 GLU A 136 10.214 1.145 -18.474 1.00 3.53 O ATOM 2000 OE2 GLU A 136 12.202 1.009 -17.483 1.00 2.18 O ATOM 0 H GLU A 136 8.718 0.442 -12.769 1.00 0.73 H new ATOM 0 HA GLU A 136 10.117 2.806 -13.899 1.00 0.89 H new ATOM 0 HB2 GLU A 136 10.679 0.462 -14.963 1.00 1.24 H new ATOM 0 HB3 GLU A 136 9.074 0.599 -15.653 1.00 1.24 H new ATOM 0 HG2 GLU A 136 9.655 2.792 -16.656 1.00 1.91 H new ATOM 0 HG3 GLU A 136 11.235 2.745 -15.899 1.00 1.91 H new ATOM 2007 N ALA A 137 7.305 2.748 -13.041 1.00 0.45 N ATOM 2008 CA ALA A 137 5.931 3.243 -13.088 1.00 0.48 C ATOM 2009 C ALA A 137 5.771 4.504 -12.247 1.00 0.58 C ATOM 2010 O ALA A 137 6.480 4.669 -11.257 1.00 0.78 O ATOM 2011 CB ALA A 137 4.987 2.166 -12.563 1.00 0.49 C ATOM 0 H ALA A 137 7.649 2.561 -12.099 1.00 0.45 H new ATOM 0 HA ALA A 137 5.690 3.485 -14.123 1.00 0.48 H new ATOM 0 HB1 ALA A 137 3.961 2.533 -12.597 1.00 0.49 H new ATOM 0 HB2 ALA A 137 5.074 1.273 -13.182 1.00 0.49 H new ATOM 0 HB3 ALA A 137 5.251 1.921 -11.534 1.00 0.49 H new ATOM 2017 N ARG A 138 4.828 5.377 -12.622 1.00 0.57 N ATOM 2018 CA ARG A 138 4.511 6.585 -11.861 1.00 0.63 C ATOM 2019 C ARG A 138 4.172 6.232 -10.419 1.00 0.62 C ATOM 2020 O ARG A 138 3.610 5.168 -10.160 1.00 0.62 O ATOM 2021 CB ARG A 138 3.333 7.344 -12.486 1.00 0.73 C ATOM 2022 CG ARG A 138 3.807 8.503 -13.362 1.00 1.24 C ATOM 2023 CD ARG A 138 2.581 9.324 -13.765 1.00 1.40 C ATOM 2024 NE ARG A 138 2.935 10.428 -14.666 1.00 1.75 N ATOM 2025 CZ ARG A 138 2.049 11.280 -15.198 1.00 2.14 C ATOM 2026 NH1 ARG A 138 2.457 12.220 -16.050 1.00 2.60 N ATOM 2027 NH2 ARG A 138 0.758 11.184 -14.879 1.00 2.79 N ATOM 0 H ARG A 138 4.264 5.263 -13.464 1.00 0.57 H new ATOM 0 HA ARG A 138 5.392 7.226 -11.883 1.00 0.63 H new ATOM 0 HB2 ARG A 138 2.734 6.657 -13.084 1.00 0.73 H new ATOM 0 HB3 ARG A 138 2.686 7.726 -11.696 1.00 0.73 H new ATOM 0 HG2 ARG A 138 4.520 9.124 -12.819 1.00 1.24 H new ATOM 0 HG3 ARG A 138 4.321 8.127 -14.246 1.00 1.24 H new ATOM 0 HD2 ARG A 138 1.854 8.675 -14.254 1.00 1.40 H new ATOM 0 HD3 ARG A 138 2.102 9.724 -12.871 1.00 1.40 H new ATOM 0 HE ARG A 138 3.919 10.554 -14.902 1.00 1.75 H new ATOM 0 HH11 ARG A 138 3.444 12.291 -16.297 1.00 2.60 H new ATOM 0 HH12 ARG A 138 1.782 12.869 -16.455 1.00 2.60 H new ATOM 0 HH21 ARG A 138 0.445 10.462 -14.230 1.00 2.79 H new ATOM 0 HH22 ARG A 138 0.083 11.833 -15.284 1.00 2.79 H new ATOM 2041 N VAL A 139 4.455 7.164 -9.504 1.00 0.68 N ATOM 2042 CA VAL A 139 4.336 6.943 -8.077 1.00 0.68 C ATOM 2043 C VAL A 139 3.404 8.011 -7.529 1.00 0.69 C ATOM 2044 O VAL A 139 3.814 9.119 -7.169 1.00 0.92 O ATOM 2045 CB VAL A 139 5.726 6.945 -7.426 1.00 0.72 C ATOM 2046 CG1 VAL A 139 5.607 6.566 -5.949 1.00 0.87 C ATOM 2047 CG2 VAL A 139 6.628 5.942 -8.154 1.00 0.81 C ATOM 0 H VAL A 139 4.776 8.101 -9.746 1.00 0.68 H new ATOM 0 HA VAL A 139 3.909 5.966 -7.849 1.00 0.68 H new ATOM 0 HB VAL A 139 6.162 7.941 -7.499 1.00 0.72 H new ATOM 0 HG11 VAL A 139 6.596 6.569 -5.492 1.00 0.87 H new ATOM 0 HG12 VAL A 139 4.969 7.288 -5.438 1.00 0.87 H new ATOM 0 HG13 VAL A 139 5.170 5.571 -5.863 1.00 0.87 H new ATOM 0 HG21 VAL A 139 7.616 5.941 -7.694 1.00 0.81 H new ATOM 0 HG22 VAL A 139 6.194 4.945 -8.084 1.00 0.81 H new ATOM 0 HG23 VAL A 139 6.716 6.226 -9.203 1.00 0.81 H new ATOM 2057 N THR A 140 2.121 7.673 -7.498 1.00 0.52 N ATOM 2058 CA THR A 140 1.090 8.600 -7.098 1.00 0.52 C ATOM 2059 C THR A 140 0.722 8.265 -5.662 1.00 0.47 C ATOM 2060 O THR A 140 0.136 7.216 -5.412 1.00 0.45 O ATOM 2061 CB THR A 140 -0.100 8.446 -8.051 1.00 0.57 C ATOM 2062 OG1 THR A 140 0.310 8.157 -9.372 1.00 0.66 O ATOM 2063 CG2 THR A 140 -0.893 9.747 -8.071 1.00 0.69 C ATOM 0 H THR A 140 1.774 6.748 -7.751 1.00 0.52 H new ATOM 0 HA THR A 140 1.418 9.638 -7.147 1.00 0.52 H new ATOM 0 HB THR A 140 -0.706 7.615 -7.690 1.00 0.57 H new ATOM 0 HG1 THR A 140 -0.479 8.065 -9.947 1.00 0.66 H new ATOM 0 HG21 THR A 140 -1.742 9.645 -8.747 1.00 0.69 H new ATOM 0 HG22 THR A 140 -1.254 9.969 -7.067 1.00 0.69 H new ATOM 0 HG23 THR A 140 -0.251 10.559 -8.414 1.00 0.69 H new ATOM 2071 N ILE A 141 1.088 9.114 -4.701 1.00 0.45 N ATOM 2072 CA ILE A 141 0.818 8.825 -3.305 1.00 0.41 C ATOM 2073 C ILE A 141 -0.630 9.234 -3.014 1.00 0.45 C ATOM 2074 O ILE A 141 -1.078 10.308 -3.428 1.00 0.61 O ATOM 2075 CB ILE A 141 1.865 9.537 -2.418 1.00 0.44 C ATOM 2076 CG1 ILE A 141 2.173 8.749 -1.132 1.00 0.45 C ATOM 2077 CG2 ILE A 141 1.469 10.950 -2.019 1.00 0.53 C ATOM 2078 CD1 ILE A 141 3.414 7.875 -1.310 1.00 0.60 C ATOM 0 H ILE A 141 1.568 9.998 -4.868 1.00 0.45 H new ATOM 0 HA ILE A 141 0.911 7.763 -3.078 1.00 0.41 H new ATOM 0 HB ILE A 141 2.753 9.589 -3.049 1.00 0.44 H new ATOM 0 HG12 ILE A 141 2.327 9.442 -0.305 1.00 0.45 H new ATOM 0 HG13 ILE A 141 1.319 8.125 -0.870 1.00 0.45 H new ATOM 0 HG21 ILE A 141 2.252 11.386 -1.398 1.00 0.53 H new ATOM 0 HG22 ILE A 141 1.336 11.557 -2.914 1.00 0.53 H new ATOM 0 HG23 ILE A 141 0.535 10.921 -1.458 1.00 0.53 H new ATOM 0 HD11 ILE A 141 3.610 7.329 -0.387 1.00 0.60 H new ATOM 0 HD12 ILE A 141 3.247 7.167 -2.122 1.00 0.60 H new ATOM 0 HD13 ILE A 141 4.271 8.505 -1.548 1.00 0.60 H new ATOM 2090 N TYR A 142 -1.365 8.382 -2.302 1.00 0.37 N ATOM 2091 CA TYR A 142 -2.727 8.654 -1.865 1.00 0.43 C ATOM 2092 C TYR A 142 -2.702 8.501 -0.342 1.00 0.49 C ATOM 2093 O TYR A 142 -2.083 7.573 0.175 1.00 0.52 O ATOM 2094 CB TYR A 142 -3.714 7.675 -2.531 1.00 0.49 C ATOM 2095 CG TYR A 142 -4.074 7.927 -3.997 1.00 0.55 C ATOM 2096 CD1 TYR A 142 -3.093 7.837 -5.001 1.00 0.69 C ATOM 2097 CD2 TYR A 142 -5.413 8.157 -4.377 1.00 0.58 C ATOM 2098 CE1 TYR A 142 -3.437 7.963 -6.360 1.00 0.73 C ATOM 2099 CE2 TYR A 142 -5.766 8.279 -5.736 1.00 0.67 C ATOM 2100 CZ TYR A 142 -4.778 8.167 -6.742 1.00 0.69 C ATOM 2101 OH TYR A 142 -5.121 8.240 -8.060 1.00 0.78 O ATOM 0 H TYR A 142 -1.022 7.467 -2.009 1.00 0.37 H new ATOM 0 HA TYR A 142 -3.064 9.651 -2.149 1.00 0.43 H new ATOM 0 HB2 TYR A 142 -3.296 6.671 -2.454 1.00 0.49 H new ATOM 0 HB3 TYR A 142 -4.637 7.681 -1.952 1.00 0.49 H new ATOM 0 HD1 TYR A 142 -2.062 7.669 -4.726 1.00 0.69 H new ATOM 0 HD2 TYR A 142 -6.176 8.241 -3.618 1.00 0.58 H new ATOM 0 HE1 TYR A 142 -2.668 7.903 -7.116 1.00 0.73 H new ATOM 0 HE2 TYR A 142 -6.795 8.459 -6.010 1.00 0.67 H new ATOM 0 HH TYR A 142 -4.446 7.778 -8.600 1.00 0.78 H new ATOM 2111 N CYS A 143 -3.310 9.417 0.410 1.00 0.85 N ATOM 2112 CA CYS A 143 -3.401 9.260 1.859 1.00 1.07 C ATOM 2113 C CYS A 143 -4.832 8.850 2.206 1.00 1.19 C ATOM 2114 O CYS A 143 -5.431 8.065 1.475 1.00 2.04 O ATOM 2115 CB CYS A 143 -2.895 10.529 2.562 1.00 1.19 C ATOM 2116 SG CYS A 143 -3.904 11.978 2.145 1.00 2.88 S ATOM 0 H CYS A 143 -3.742 10.266 0.045 1.00 0.85 H new ATOM 0 HA CYS A 143 -2.751 8.466 2.226 1.00 1.07 H new ATOM 0 HB2 CYS A 143 -2.907 10.376 3.641 1.00 1.19 H new ATOM 0 HB3 CYS A 143 -1.859 10.713 2.278 1.00 1.19 H new ATOM 0 HG CYS A 143 -4.746 12.212 3.108 1.00 2.88 H new ATOM 2122 N ARG A 144 -5.389 9.368 3.304 1.00 1.70 N ATOM 2123 CA ARG A 144 -6.834 9.455 3.411 1.00 1.73 C ATOM 2124 C ARG A 144 -7.271 10.558 2.450 1.00 1.50 C ATOM 2125 O ARG A 144 -7.454 10.322 1.260 1.00 2.54 O ATOM 2126 CB ARG A 144 -7.276 9.749 4.857 1.00 2.12 C ATOM 2127 CG ARG A 144 -7.381 8.493 5.724 1.00 2.84 C ATOM 2128 CD ARG A 144 -7.974 8.905 7.078 1.00 3.16 C ATOM 2129 NE ARG A 144 -8.242 7.754 7.954 1.00 3.84 N ATOM 2130 CZ ARG A 144 -9.322 6.960 7.895 1.00 3.49 C ATOM 2131 NH1 ARG A 144 -9.494 6.001 8.806 1.00 4.63 N ATOM 2132 NH2 ARG A 144 -10.231 7.127 6.933 1.00 2.97 N ATOM 0 H ARG A 144 -4.871 9.723 4.108 1.00 1.70 H new ATOM 0 HA ARG A 144 -7.303 8.507 3.149 1.00 1.73 H new ATOM 0 HB2 ARG A 144 -6.566 10.439 5.313 1.00 2.12 H new ATOM 0 HB3 ARG A 144 -8.243 10.252 4.839 1.00 2.12 H new ATOM 0 HG2 ARG A 144 -8.013 7.748 5.241 1.00 2.84 H new ATOM 0 HG3 ARG A 144 -6.399 8.039 5.859 1.00 2.84 H new ATOM 0 HD2 ARG A 144 -7.286 9.586 7.579 1.00 3.16 H new ATOM 0 HD3 ARG A 144 -8.901 9.454 6.912 1.00 3.16 H new ATOM 0 HE ARG A 144 -7.546 7.541 8.669 1.00 3.84 H new ATOM 0 HH11 ARG A 144 -8.805 5.872 9.547 1.00 4.63 H new ATOM 0 HH12 ARG A 144 -10.315 5.397 8.762 1.00 4.63 H new ATOM 0 HH21 ARG A 144 -10.107 7.862 6.236 1.00 2.97 H new ATOM 0 HH22 ARG A 144 -11.050 6.520 6.894 1.00 2.97 H new ATOM 2146 N ASP A 145 -7.439 11.775 2.956 1.00 2.04 N ATOM 2147 CA ASP A 145 -8.113 12.827 2.229 1.00 1.70 C ATOM 2148 C ASP A 145 -7.895 14.158 2.955 1.00 1.92 C ATOM 2149 O ASP A 145 -7.055 14.270 3.848 1.00 3.68 O ATOM 2150 CB ASP A 145 -9.615 12.492 2.130 1.00 2.10 C ATOM 2151 CG ASP A 145 -10.363 12.663 3.457 1.00 2.82 C ATOM 2152 OD1 ASP A 145 -9.767 12.371 4.519 1.00 4.24 O ATOM 2153 OD2 ASP A 145 -11.509 13.153 3.384 1.00 3.02 O ATOM 0 H ASP A 145 -7.110 12.053 3.881 1.00 2.04 H new ATOM 0 HA ASP A 145 -7.709 12.911 1.220 1.00 1.70 H new ATOM 0 HB2 ASP A 145 -10.074 13.132 1.377 1.00 2.10 H new ATOM 0 HB3 ASP A 145 -9.729 11.464 1.786 1.00 2.10 H new ATOM 2158 N LYS A 146 -8.681 15.165 2.570 1.00 1.40 N ATOM 2159 CA LYS A 146 -8.719 16.490 3.193 1.00 2.11 C ATOM 2160 C LYS A 146 -7.324 17.123 3.214 1.00 1.67 C ATOM 2161 O LYS A 146 -6.444 16.746 2.444 1.00 1.43 O ATOM 2162 CB LYS A 146 -9.362 16.384 4.596 1.00 3.06 C ATOM 2163 CG LYS A 146 -10.785 15.803 4.532 1.00 3.28 C ATOM 2164 CD LYS A 146 -11.881 16.684 5.149 1.00 3.90 C ATOM 2165 CE LYS A 146 -12.386 16.133 6.488 1.00 4.07 C ATOM 2166 NZ LYS A 146 -11.311 16.004 7.494 1.00 4.77 N ATOM 0 H LYS A 146 -9.331 15.078 1.789 1.00 1.40 H new ATOM 0 HA LYS A 146 -9.342 17.160 2.600 1.00 2.11 H new ATOM 0 HB2 LYS A 146 -8.741 15.754 5.233 1.00 3.06 H new ATOM 0 HB3 LYS A 146 -9.393 17.371 5.057 1.00 3.06 H new ATOM 0 HG2 LYS A 146 -11.037 15.616 3.488 1.00 3.28 H new ATOM 0 HG3 LYS A 146 -10.789 14.838 5.039 1.00 3.28 H new ATOM 0 HD2 LYS A 146 -11.493 17.692 5.296 1.00 3.90 H new ATOM 0 HD3 LYS A 146 -12.716 16.762 4.453 1.00 3.90 H new ATOM 0 HE2 LYS A 146 -13.164 16.790 6.876 1.00 4.07 H new ATOM 0 HE3 LYS A 146 -12.844 15.158 6.325 1.00 4.07 H new ATOM 0 HZ1 LYS A 146 -11.718 15.692 8.399 1.00 4.77 H new ATOM 0 HZ2 LYS A 146 -10.613 15.305 7.169 1.00 4.77 H new ATOM 0 HZ3 LYS A 146 -10.844 16.924 7.623 1.00 4.77 H new ATOM 2180 N THR A 147 -7.115 18.098 4.098 1.00 1.82 N ATOM 2181 CA THR A 147 -5.842 18.769 4.313 1.00 1.68 C ATOM 2182 C THR A 147 -4.725 17.796 4.697 1.00 1.42 C ATOM 2183 O THR A 147 -3.549 18.139 4.597 1.00 1.21 O ATOM 2184 CB THR A 147 -6.059 19.826 5.400 1.00 2.16 C ATOM 2185 OG1 THR A 147 -7.243 20.533 5.093 1.00 2.72 O ATOM 2186 CG2 THR A 147 -4.880 20.789 5.496 1.00 2.81 C ATOM 0 H THR A 147 -7.856 18.452 4.703 1.00 1.82 H new ATOM 0 HA THR A 147 -5.514 19.234 3.383 1.00 1.68 H new ATOM 0 HB THR A 147 -6.145 19.331 6.368 1.00 2.16 H new ATOM 0 HG1 THR A 147 -7.403 21.215 5.778 1.00 2.72 H new ATOM 0 HG21 THR A 147 -5.073 21.523 6.278 1.00 2.81 H new ATOM 0 HG22 THR A 147 -3.974 20.232 5.736 1.00 2.81 H new ATOM 0 HG23 THR A 147 -4.750 21.301 4.542 1.00 2.81 H new ATOM 2194 N TRP A 148 -5.062 16.576 5.121 1.00 1.55 N ATOM 2195 CA TRP A 148 -4.071 15.536 5.337 1.00 1.47 C ATOM 2196 C TRP A 148 -3.204 15.405 4.089 1.00 1.20 C ATOM 2197 O TRP A 148 -1.984 15.438 4.207 1.00 1.16 O ATOM 2198 CB TRP A 148 -4.733 14.209 5.727 1.00 1.80 C ATOM 2199 CG TRP A 148 -4.010 13.423 6.774 1.00 1.50 C ATOM 2200 CD1 TRP A 148 -2.672 13.260 6.861 1.00 2.06 C ATOM 2201 CD2 TRP A 148 -4.579 12.704 7.909 1.00 1.73 C ATOM 2202 NE1 TRP A 148 -2.371 12.511 7.983 1.00 2.21 N ATOM 2203 CE2 TRP A 148 -3.512 12.153 8.675 1.00 1.83 C ATOM 2204 CE3 TRP A 148 -5.892 12.472 8.372 1.00 2.70 C ATOM 2205 CZ2 TRP A 148 -3.735 11.427 9.855 1.00 2.33 C ATOM 2206 CZ3 TRP A 148 -6.129 11.743 9.552 1.00 3.35 C ATOM 2207 CH2 TRP A 148 -5.054 11.226 10.296 1.00 3.00 C ATOM 0 H TRP A 148 -6.020 16.290 5.321 1.00 1.55 H new ATOM 0 HA TRP A 148 -3.430 15.813 6.174 1.00 1.47 H new ATOM 0 HB2 TRP A 148 -5.743 14.415 6.082 1.00 1.80 H new ATOM 0 HB3 TRP A 148 -4.829 13.592 4.833 1.00 1.80 H new ATOM 0 HD1 TRP A 148 -1.949 13.654 6.162 1.00 2.06 H new ATOM 0 HE1 TRP A 148 -1.425 12.255 8.265 1.00 2.21 H new ATOM 0 HE3 TRP A 148 -6.729 12.861 7.811 1.00 2.70 H new ATOM 0 HZ2 TRP A 148 -2.904 11.028 10.417 1.00 2.33 H new ATOM 0 HZ3 TRP A 148 -7.142 11.580 9.888 1.00 3.35 H new ATOM 0 HH2 TRP A 148 -5.242 10.675 11.206 1.00 3.00 H new ATOM 2218 N GLU A 149 -3.825 15.341 2.905 1.00 1.11 N ATOM 2219 CA GLU A 149 -3.145 15.338 1.614 1.00 0.99 C ATOM 2220 C GLU A 149 -2.075 16.414 1.549 1.00 0.82 C ATOM 2221 O GLU A 149 -0.941 16.136 1.165 1.00 0.83 O ATOM 2222 CB GLU A 149 -4.159 15.499 0.472 1.00 1.17 C ATOM 2223 CG GLU A 149 -3.466 15.318 -0.887 1.00 2.23 C ATOM 2224 CD GLU A 149 -3.206 16.615 -1.682 1.00 3.33 C ATOM 2225 OE1 GLU A 149 -2.773 17.621 -1.078 1.00 4.21 O ATOM 2226 OE2 GLU A 149 -3.416 16.589 -2.918 1.00 4.13 O ATOM 0 H GLU A 149 -4.840 15.289 2.821 1.00 1.11 H new ATOM 0 HA GLU A 149 -2.647 14.375 1.498 1.00 0.99 H new ATOM 0 HB2 GLU A 149 -4.958 14.766 0.581 1.00 1.17 H new ATOM 0 HB3 GLU A 149 -4.621 16.485 0.524 1.00 1.17 H new ATOM 0 HG2 GLU A 149 -2.512 14.816 -0.724 1.00 2.23 H new ATOM 0 HG3 GLU A 149 -4.076 14.654 -1.500 1.00 2.23 H new ATOM 2233 N GLN A 150 -2.414 17.631 1.966 1.00 0.90 N ATOM 2234 CA GLN A 150 -1.500 18.751 1.888 1.00 0.91 C ATOM 2235 C GLN A 150 -0.241 18.479 2.707 1.00 0.79 C ATOM 2236 O GLN A 150 0.845 18.871 2.295 1.00 0.80 O ATOM 2237 CB GLN A 150 -2.208 20.033 2.330 1.00 1.18 C ATOM 2238 CG GLN A 150 -1.377 21.271 1.982 1.00 2.01 C ATOM 2239 CD GLN A 150 -2.182 22.541 2.231 1.00 2.13 C ATOM 2240 OE1 GLN A 150 -1.974 23.239 3.214 1.00 2.73 O ATOM 2241 NE2 GLN A 150 -3.130 22.848 1.355 1.00 2.43 N ATOM 0 H GLN A 150 -3.325 17.861 2.364 1.00 0.90 H new ATOM 0 HA GLN A 150 -1.183 18.885 0.854 1.00 0.91 H new ATOM 0 HB2 GLN A 150 -3.183 20.098 1.847 1.00 1.18 H new ATOM 0 HB3 GLN A 150 -2.386 20.001 3.405 1.00 1.18 H new ATOM 0 HG2 GLN A 150 -0.467 21.286 2.582 1.00 2.01 H new ATOM 0 HG3 GLN A 150 -1.069 21.228 0.937 1.00 2.01 H new ATOM 0 HE21 GLN A 150 -3.286 22.252 0.542 1.00 2.43 H new ATOM 0 HE22 GLN A 150 -3.703 23.680 1.494 1.00 2.43 H new ATOM 2250 N LYS A 151 -0.356 17.789 3.847 1.00 0.79 N ATOM 2251 CA LYS A 151 0.817 17.420 4.635 1.00 0.84 C ATOM 2252 C LYS A 151 1.694 16.450 3.852 1.00 0.77 C ATOM 2253 O LYS A 151 2.912 16.496 3.978 1.00 0.96 O ATOM 2254 CB LYS A 151 0.407 16.867 6.009 1.00 1.05 C ATOM 2255 CG LYS A 151 -0.083 18.029 6.881 1.00 1.57 C ATOM 2256 CD LYS A 151 -0.737 17.574 8.191 1.00 1.54 C ATOM 2257 CE LYS A 151 -1.172 18.834 8.951 1.00 2.14 C ATOM 2258 NZ LYS A 151 -1.586 18.559 10.347 1.00 2.67 N ATOM 0 H LYS A 151 -1.245 17.478 4.240 1.00 0.79 H new ATOM 0 HA LYS A 151 1.411 18.314 4.826 1.00 0.84 H new ATOM 0 HB2 LYS A 151 -0.380 16.121 5.897 1.00 1.05 H new ATOM 0 HB3 LYS A 151 1.253 16.369 6.483 1.00 1.05 H new ATOM 0 HG2 LYS A 151 0.760 18.681 7.112 1.00 1.57 H new ATOM 0 HG3 LYS A 151 -0.799 18.623 6.313 1.00 1.57 H new ATOM 0 HD2 LYS A 151 -1.595 16.933 7.989 1.00 1.54 H new ATOM 0 HD3 LYS A 151 -0.036 16.990 8.787 1.00 1.54 H new ATOM 0 HE2 LYS A 151 -0.349 19.549 8.957 1.00 2.14 H new ATOM 0 HE3 LYS A 151 -1.999 19.304 8.419 1.00 2.14 H new ATOM 0 HZ1 LYS A 151 -1.868 19.448 10.807 1.00 2.67 H new ATOM 0 HZ2 LYS A 151 -2.390 17.899 10.347 1.00 2.67 H new ATOM 0 HZ3 LYS A 151 -0.791 18.137 10.868 1.00 2.67 H new ATOM 2272 N ILE A 152 1.114 15.569 3.038 1.00 0.67 N ATOM 2273 CA ILE A 152 1.930 14.728 2.178 1.00 0.64 C ATOM 2274 C ILE A 152 2.587 15.591 1.093 1.00 0.69 C ATOM 2275 O ILE A 152 3.744 15.366 0.757 1.00 0.83 O ATOM 2276 CB ILE A 152 1.138 13.556 1.569 1.00 0.59 C ATOM 2277 CG1 ILE A 152 0.552 12.543 2.570 1.00 0.73 C ATOM 2278 CG2 ILE A 152 2.121 12.738 0.725 1.00 0.85 C ATOM 2279 CD1 ILE A 152 -0.497 13.053 3.545 1.00 1.95 C ATOM 0 H ILE A 152 0.107 15.424 2.959 1.00 0.67 H new ATOM 0 HA ILE A 152 2.707 14.272 2.791 1.00 0.64 H new ATOM 0 HB ILE A 152 0.306 14.018 1.038 1.00 0.59 H new ATOM 0 HG12 ILE A 152 0.114 11.722 2.002 1.00 0.73 H new ATOM 0 HG13 ILE A 152 1.376 12.126 3.149 1.00 0.73 H new ATOM 0 HG21 ILE A 152 1.599 11.894 0.274 1.00 0.85 H new ATOM 0 HG22 ILE A 152 2.539 13.368 -0.060 1.00 0.85 H new ATOM 0 HG23 ILE A 152 2.926 12.368 1.360 1.00 0.85 H new ATOM 0 HD11 ILE A 152 -0.822 12.236 4.190 1.00 1.95 H new ATOM 0 HD12 ILE A 152 -0.070 13.849 4.155 1.00 1.95 H new ATOM 0 HD13 ILE A 152 -1.352 13.440 2.990 1.00 1.95 H new ATOM 2291 N LYS A 153 1.881 16.569 0.518 1.00 0.66 N ATOM 2292 CA LYS A 153 2.419 17.396 -0.559 1.00 0.73 C ATOM 2293 C LYS A 153 3.636 18.190 -0.095 1.00 0.76 C ATOM 2294 O LYS A 153 4.669 18.174 -0.761 1.00 0.82 O ATOM 2295 CB LYS A 153 1.301 18.282 -1.126 1.00 0.79 C ATOM 2296 CG LYS A 153 1.754 19.063 -2.366 1.00 0.91 C ATOM 2297 CD LYS A 153 0.555 19.758 -3.028 1.00 1.42 C ATOM 2298 CE LYS A 153 -0.082 18.835 -4.075 1.00 3.06 C ATOM 2299 NZ LYS A 153 -1.396 19.335 -4.532 1.00 3.84 N ATOM 0 H LYS A 153 0.926 16.807 0.786 1.00 0.66 H new ATOM 0 HA LYS A 153 2.778 16.758 -1.366 1.00 0.73 H new ATOM 0 HB2 LYS A 153 0.443 17.661 -1.383 1.00 0.79 H new ATOM 0 HB3 LYS A 153 0.970 18.982 -0.359 1.00 0.79 H new ATOM 0 HG2 LYS A 153 2.502 19.804 -2.084 1.00 0.91 H new ATOM 0 HG3 LYS A 153 2.228 18.386 -3.077 1.00 0.91 H new ATOM 0 HD2 LYS A 153 -0.183 20.025 -2.271 1.00 1.42 H new ATOM 0 HD3 LYS A 153 0.878 20.686 -3.500 1.00 1.42 H new ATOM 0 HE2 LYS A 153 0.587 18.742 -4.930 1.00 3.06 H new ATOM 0 HE3 LYS A 153 -0.201 17.837 -3.653 1.00 3.06 H new ATOM 0 HZ1 LYS A 153 -1.790 18.681 -5.238 1.00 3.84 H new ATOM 0 HZ2 LYS A 153 -2.044 19.400 -3.721 1.00 3.84 H new ATOM 0 HZ3 LYS A 153 -1.280 20.276 -4.959 1.00 3.84 H new ATOM 2313 N THR A 154 3.539 18.877 1.040 1.00 0.77 N ATOM 2314 CA THR A 154 4.656 19.630 1.584 1.00 0.87 C ATOM 2315 C THR A 154 5.815 18.688 1.904 1.00 0.95 C ATOM 2316 O THR A 154 6.970 19.020 1.655 1.00 1.07 O ATOM 2317 CB THR A 154 4.195 20.407 2.820 1.00 0.94 C ATOM 2318 OG1 THR A 154 3.560 19.530 3.724 1.00 2.03 O ATOM 2319 CG2 THR A 154 3.194 21.499 2.436 1.00 1.71 C ATOM 0 H THR A 154 2.689 18.925 1.602 1.00 0.77 H new ATOM 0 HA THR A 154 5.013 20.350 0.847 1.00 0.87 H new ATOM 0 HB THR A 154 5.074 20.862 3.277 1.00 0.94 H new ATOM 0 HG1 THR A 154 3.268 20.030 4.514 1.00 2.03 H new ATOM 0 HG21 THR A 154 2.881 22.037 3.331 1.00 1.71 H new ATOM 0 HG22 THR A 154 3.663 22.194 1.740 1.00 1.71 H new ATOM 0 HG23 THR A 154 2.323 21.045 1.963 1.00 1.71 H new ATOM 2327 N VAL A 155 5.524 17.494 2.424 1.00 0.96 N ATOM 2328 CA VAL A 155 6.553 16.508 2.715 1.00 1.12 C ATOM 2329 C VAL A 155 7.315 16.135 1.452 1.00 1.15 C ATOM 2330 O VAL A 155 8.540 16.117 1.464 1.00 1.36 O ATOM 2331 CB VAL A 155 5.922 15.281 3.374 1.00 1.16 C ATOM 2332 CG1 VAL A 155 6.809 14.046 3.248 1.00 1.19 C ATOM 2333 CG2 VAL A 155 5.710 15.596 4.850 1.00 1.90 C ATOM 0 H VAL A 155 4.577 17.190 2.651 1.00 0.96 H new ATOM 0 HA VAL A 155 7.273 16.938 3.412 1.00 1.12 H new ATOM 0 HB VAL A 155 4.980 15.061 2.873 1.00 1.16 H new ATOM 0 HG11 VAL A 155 6.322 13.198 3.730 1.00 1.19 H new ATOM 0 HG12 VAL A 155 6.971 13.821 2.194 1.00 1.19 H new ATOM 0 HG13 VAL A 155 7.768 14.236 3.730 1.00 1.19 H new ATOM 0 HG21 VAL A 155 5.260 14.735 5.345 1.00 1.90 H new ATOM 0 HG22 VAL A 155 6.670 15.821 5.315 1.00 1.90 H new ATOM 0 HG23 VAL A 155 5.049 16.457 4.947 1.00 1.90 H new ATOM 2343 N LEU A 156 6.603 15.801 0.380 1.00 1.02 N ATOM 2344 CA LEU A 156 7.227 15.427 -0.882 1.00 1.14 C ATOM 2345 C LEU A 156 8.152 16.546 -1.348 1.00 1.36 C ATOM 2346 O LEU A 156 9.276 16.274 -1.749 1.00 1.82 O ATOM 2347 CB LEU A 156 6.178 15.109 -1.957 1.00 1.06 C ATOM 2348 CG LEU A 156 5.631 13.668 -1.957 1.00 0.89 C ATOM 2349 CD1 LEU A 156 4.896 13.439 -3.277 1.00 1.11 C ATOM 2350 CD2 LEU A 156 6.713 12.593 -1.844 1.00 1.32 C ATOM 0 H LEU A 156 5.583 15.782 0.362 1.00 1.02 H new ATOM 0 HA LEU A 156 7.811 14.521 -0.721 1.00 1.14 H new ATOM 0 HB2 LEU A 156 5.340 15.795 -1.834 1.00 1.06 H new ATOM 0 HB3 LEU A 156 6.615 15.311 -2.935 1.00 1.06 H new ATOM 0 HG LEU A 156 4.987 13.577 -1.082 1.00 0.89 H new ATOM 0 HD11 LEU A 156 4.499 12.424 -3.301 1.00 1.11 H new ATOM 0 HD12 LEU A 156 4.076 14.152 -3.365 1.00 1.11 H new ATOM 0 HD13 LEU A 156 5.588 13.578 -4.108 1.00 1.11 H new ATOM 0 HD21 LEU A 156 6.248 11.607 -1.851 1.00 1.32 H new ATOM 0 HD22 LEU A 156 7.399 12.677 -2.687 1.00 1.32 H new ATOM 0 HD23 LEU A 156 7.264 12.728 -0.913 1.00 1.32 H new ATOM 2362 N GLN A 157 7.705 17.799 -1.273 1.00 1.12 N ATOM 2363 CA GLN A 157 8.555 18.939 -1.596 1.00 1.30 C ATOM 2364 C GLN A 157 9.792 19.018 -0.700 1.00 1.46 C ATOM 2365 O GLN A 157 10.831 19.484 -1.157 1.00 1.65 O ATOM 2366 CB GLN A 157 7.741 20.235 -1.497 1.00 1.25 C ATOM 2367 CG GLN A 157 7.084 20.576 -2.836 1.00 1.29 C ATOM 2368 CD GLN A 157 7.918 21.559 -3.659 1.00 1.92 C ATOM 2369 OE1 GLN A 157 7.418 22.590 -4.088 1.00 2.44 O ATOM 2370 NE2 GLN A 157 9.196 21.281 -3.893 1.00 3.15 N ATOM 0 H GLN A 157 6.757 18.048 -0.991 1.00 1.12 H new ATOM 0 HA GLN A 157 8.912 18.804 -2.617 1.00 1.30 H new ATOM 0 HB2 GLN A 157 6.975 20.129 -0.729 1.00 1.25 H new ATOM 0 HB3 GLN A 157 8.391 21.054 -1.188 1.00 1.25 H new ATOM 0 HG2 GLN A 157 6.936 19.661 -3.409 1.00 1.29 H new ATOM 0 HG3 GLN A 157 6.097 21.003 -2.656 1.00 1.29 H new ATOM 0 HE21 GLN A 157 9.605 20.419 -3.532 1.00 3.15 H new ATOM 0 HE22 GLN A 157 9.768 21.929 -4.434 1.00 3.15 H new ATOM 2379 N ASN A 158 9.671 18.616 0.566 1.00 1.41 N ATOM 2380 CA ASN A 158 10.771 18.642 1.526 1.00 1.63 C ATOM 2381 C ASN A 158 11.702 17.432 1.388 1.00 1.78 C ATOM 2382 O ASN A 158 12.789 17.442 1.965 1.00 2.16 O ATOM 2383 CB ASN A 158 10.225 18.662 2.963 1.00 1.63 C ATOM 2384 CG ASN A 158 9.614 19.997 3.367 1.00 1.83 C ATOM 2385 OD1 ASN A 158 9.675 20.983 2.646 1.00 2.04 O ATOM 2386 ND2 ASN A 158 9.041 20.061 4.563 1.00 2.52 N ATOM 0 H ASN A 158 8.798 18.260 0.956 1.00 1.41 H new ATOM 0 HA ASN A 158 11.341 19.546 1.313 1.00 1.63 H new ATOM 0 HB2 ASN A 158 9.471 17.881 3.067 1.00 1.63 H new ATOM 0 HB3 ASN A 158 11.033 18.419 3.653 1.00 1.63 H new ATOM 0 HD21 ASN A 158 8.644 20.941 4.892 1.00 2.52 H new ATOM 0 HD22 ASN A 158 8.998 19.230 5.153 1.00 2.52 H new ATOM 2393 N ARG A 159 11.254 16.350 0.748 1.00 1.57 N ATOM 2394 CA ARG A 159 11.991 15.098 0.680 1.00 1.72 C ATOM 2395 C ARG A 159 12.974 15.083 -0.482 1.00 1.87 C ATOM 2396 O ARG A 159 13.693 14.059 -0.534 1.00 2.36 O ATOM 2397 CB ARG A 159 10.992 13.943 0.551 1.00 1.67 C ATOM 2398 CG ARG A 159 10.462 13.503 1.917 1.00 3.21 C ATOM 2399 CD ARG A 159 11.338 12.411 2.543 1.00 4.60 C ATOM 2400 NE ARG A 159 12.404 12.926 3.420 1.00 6.01 N ATOM 2401 CZ ARG A 159 13.700 13.075 3.109 1.00 6.36 C ATOM 2402 NH1 ARG A 159 14.579 13.346 4.074 1.00 7.70 N ATOM 2403 NH2 ARG A 159 14.133 12.968 1.857 1.00 5.69 N ATOM 0 H ARG A 159 10.359 16.324 0.259 1.00 1.57 H new ATOM 0 HA ARG A 159 12.576 14.987 1.593 1.00 1.72 H new ATOM 0 HB2 ARG A 159 10.159 14.250 -0.082 1.00 1.67 H new ATOM 0 HB3 ARG A 159 11.473 13.099 0.057 1.00 1.67 H new ATOM 0 HG2 ARG A 159 10.421 14.363 2.585 1.00 3.21 H new ATOM 0 HG3 ARG A 159 9.442 13.134 1.809 1.00 3.21 H new ATOM 0 HD2 ARG A 159 10.704 11.736 3.118 1.00 4.60 H new ATOM 0 HD3 ARG A 159 11.791 11.822 1.746 1.00 4.60 H new ATOM 0 HE ARG A 159 12.127 13.198 4.363 1.00 6.01 H new ATOM 0 HH11 ARG A 159 14.264 13.438 5.040 1.00 7.70 H new ATOM 0 HH12 ARG A 159 15.567 13.461 3.847 1.00 7.70 H new ATOM 0 HH21 ARG A 159 13.474 12.768 1.105 1.00 5.69 H new ATOM 0 HH22 ARG A 159 15.124 13.086 1.648 1.00 5.69 H new TER 2417 ARG A 159