USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 817 hydrogens (4 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 NoAdj-H: A 10 SEP H2 : A 10 SEP N : A 9 LEU C :(H bumps) USER MOD Single : A 1 MET CE :methyl 175:sc= -1.35 (180deg=-1.43) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= -3.91! C(o=-3.9!,f=-7.4!) USER MOD Single : A 8 SER OG : rot -110:sc= -3.2! USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 MET CE :methyl -109:sc= -1.97 (180deg=-5.43!) USER MOD Single : A -4 MET N :NH3+ -121:sc= 1.38 (180deg=-0.141) USER MOD Single : A 11 THR OG1 : rot 155:sc= 0.00316 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -23:sc= 0.295 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.262 X(o=0.26,f=-0.16) USER MOD Single : A 27 THR OG1 : rot 132:sc= 0.26 USER MOD Single : A 28 SER OG : rot -36:sc= 0.038 USER MOD Single : A 32 LYS NZ :NH3+ 150:sc= -2.67! (180deg=-3.16!) USER MOD Single : A 33 LYS NZ :NH3+ 172:sc= 0.0448 (180deg=-0.0014) USER MOD Single : A 34 SER OG : rot 110:sc= -0.399 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0397) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.497 X(o=-0.5,f=-0.18) USER MOD Single : A 46 LYS NZ :NH3+ 167:sc= -0.0206 (180deg=-0.209) USER MOD Single : A 47 ASN : amide:sc= 0.787 K(o=0.79,f=-0.033) USER MOD Single : A 50 ASN : amide:sc= -2.68 K(o=-2.7,f=-4.9!) USER MOD Single : A 56 LYS NZ :NH3+ -129:sc= 0.873 (180deg=-0.0653) USER MOD Single : A 58 LYS NZ :NH3+ -173:sc= 1.2 (180deg=1.14) USER MOD Single : A 61 ASN : amide:sc= -0.35 K(o=-0.35,f=-0.86) USER MOD Single : A 62 ASN : amide:sc= -12.1! C(o=-12!,f=-13!) USER MOD Single : A 64 HIS : no HD1:sc= -0.507 K(o=-0.51,f=-6.1!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.886 K(o=0.89,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot -10:sc= 0.25 USER MOD Single : A 81 SER OG : rot 138:sc= 0.927 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.0477 K(o=0.048,f=-0.88) USER MOD Single : A 94 ASN : amide:sc= -1.77! C(o=-1.8!,f=-4.1!) USER MOD Single : A 96 ASN : amide:sc= -4.66! C(o=-4.7!,f=-7.1!) USER MOD Single : A 97 THR OG1 : rot -42:sc= 0.0252 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -4 -24.596 1.595 -0.160 1.00 12.65 N ATOM 2 CA MET A -4 -25.487 2.487 0.615 1.00 12.53 C ATOM 3 C MET A -4 -26.497 3.142 -0.316 1.00 12.44 C ATOM 4 O MET A -4 -26.674 2.700 -1.453 1.00 12.69 O ATOM 5 CB MET A -4 -24.685 3.571 1.345 1.00 12.61 C ATOM 6 CG MET A -4 -23.581 3.045 2.247 1.00 12.98 C ATOM 7 SD MET A -4 -22.098 2.589 1.332 1.00 13.01 S ATOM 8 CE MET A -4 -21.707 4.152 0.544 1.00 13.01 C ATOM 0 H1 MET A -4 -24.671 0.625 0.207 1.00 12.65 H new ATOM 0 H2 MET A -4 -24.877 1.609 -1.161 1.00 12.65 H new ATOM 0 H3 MET A -4 -23.613 1.924 -0.071 1.00 12.65 H new ATOM 0 HA MET A -4 -26.008 1.884 1.359 1.00 12.53 H new ATOM 0 HB2 MET A -4 -24.244 4.238 0.604 1.00 12.61 H new ATOM 0 HB3 MET A -4 -25.371 4.170 1.944 1.00 12.61 H new ATOM 0 HG2 MET A -4 -23.328 3.805 2.986 1.00 12.98 H new ATOM 0 HG3 MET A -4 -23.947 2.177 2.795 1.00 12.98 H new ATOM 0 HE1 MET A -4 -21.908 4.081 -0.525 1.00 13.01 H new ATOM 0 HE2 MET A -4 -22.321 4.942 0.977 1.00 13.01 H new ATOM 0 HE3 MET A -4 -20.654 4.385 0.700 1.00 13.01 H new ATOM 20 N ARG A -3 -27.160 4.191 0.167 1.00 12.29 N ATOM 21 CA ARG A -3 -28.135 4.928 -0.633 1.00 12.43 C ATOM 22 C ARG A -3 -27.494 5.460 -1.915 1.00 12.49 C ATOM 23 O ARG A -3 -28.109 5.456 -2.982 1.00 13.19 O ATOM 24 CB ARG A -3 -28.715 6.085 0.183 1.00 12.66 C ATOM 25 CG ARG A -3 -29.768 6.895 -0.556 1.00 13.08 C ATOM 26 CD ARG A -3 -30.229 8.087 0.266 1.00 13.33 C ATOM 27 NE ARG A -3 -29.117 8.972 0.613 1.00 13.68 N ATOM 28 CZ ARG A -3 -29.206 10.299 0.667 1.00 13.98 C ATOM 29 NH1 ARG A -3 -30.365 10.902 0.424 1.00 13.97 N ATOM 30 NH2 ARG A -3 -28.133 11.020 0.972 1.00 14.46 N ATOM 0 H ARG A -3 -27.038 4.551 1.114 1.00 12.29 H new ATOM 0 HA ARG A -3 -28.940 4.246 -0.909 1.00 12.43 H new ATOM 0 HB2 ARG A -3 -29.153 5.687 1.098 1.00 12.66 H new ATOM 0 HB3 ARG A -3 -27.903 6.749 0.481 1.00 12.66 H new ATOM 0 HG2 ARG A -3 -29.362 7.242 -1.506 1.00 13.08 H new ATOM 0 HG3 ARG A -3 -30.622 6.259 -0.788 1.00 13.08 H new ATOM 0 HD2 ARG A -3 -30.978 8.647 -0.294 1.00 13.33 H new ATOM 0 HD3 ARG A -3 -30.711 7.735 1.178 1.00 13.33 H new ATOM 0 HE ARG A -3 -28.216 8.545 0.827 1.00 13.68 H new ATOM 0 HH11 ARG A -3 -31.190 10.348 0.195 1.00 13.97 H new ATOM 0 HH12 ARG A -3 -30.429 11.919 0.466 1.00 13.97 H new ATOM 0 HH21 ARG A -3 -27.245 10.557 1.164 1.00 14.46 H new ATOM 0 HH22 ARG A -3 -28.197 12.037 1.014 1.00 14.46 H new ATOM 44 N SER A -2 -26.260 5.922 -1.800 1.00 11.93 N ATOM 45 CA SER A -2 -25.505 6.375 -2.952 1.00 12.17 C ATOM 46 C SER A -2 -24.644 5.231 -3.484 1.00 11.88 C ATOM 47 O SER A -2 -23.918 4.586 -2.723 1.00 11.14 O ATOM 48 CB SER A -2 -24.632 7.575 -2.571 1.00 12.01 C ATOM 49 OG SER A -2 -23.892 8.055 -3.681 1.00 11.89 O ATOM 0 H SER A -2 -25.759 5.993 -0.914 1.00 11.93 H new ATOM 0 HA SER A -2 -26.195 6.688 -3.735 1.00 12.17 H new ATOM 0 HB2 SER A -2 -25.262 8.374 -2.180 1.00 12.01 H new ATOM 0 HB3 SER A -2 -23.947 7.289 -1.773 1.00 12.01 H new ATOM 0 HG SER A -2 -23.347 8.821 -3.404 1.00 11.89 H new ATOM 55 N PRO A -1 -24.732 4.951 -4.792 1.00 12.62 N ATOM 56 CA PRO A -1 -24.005 3.849 -5.419 1.00 12.63 C ATOM 57 C PRO A -1 -22.515 4.140 -5.568 1.00 12.19 C ATOM 58 O PRO A -1 -22.101 5.296 -5.680 1.00 12.50 O ATOM 59 CB PRO A -1 -24.658 3.713 -6.804 1.00 13.78 C ATOM 60 CG PRO A -1 -25.839 4.631 -6.795 1.00 14.31 C ATOM 61 CD PRO A -1 -25.547 5.683 -5.767 1.00 13.65 C ATOM 0 HA PRO A -1 -24.063 2.943 -4.816 1.00 12.63 H new ATOM 0 HB2 PRO A -1 -23.958 3.986 -7.594 1.00 13.78 H new ATOM 0 HB3 PRO A -1 -24.965 2.684 -6.991 1.00 13.78 H new ATOM 0 HG2 PRO A -1 -25.991 5.079 -7.777 1.00 14.31 H new ATOM 0 HG3 PRO A -1 -26.751 4.088 -6.548 1.00 14.31 H new ATOM 0 HD2 PRO A -1 -25.008 6.529 -6.193 1.00 13.65 H new ATOM 0 HD3 PRO A -1 -26.459 6.078 -5.319 1.00 13.65 H new ATOM 69 N GLY A 0 -21.716 3.082 -5.547 1.00 11.64 N ATOM 70 CA GLY A 0 -20.291 3.216 -5.768 1.00 11.36 C ATOM 71 C GLY A 0 -19.497 3.218 -4.479 1.00 10.34 C ATOM 72 O GLY A 0 -18.434 2.602 -4.408 1.00 10.25 O ATOM 0 H GLY A 0 -22.033 2.127 -5.380 1.00 11.64 H new ATOM 0 HA2 GLY A 0 -19.947 2.397 -6.400 1.00 11.36 H new ATOM 0 HA3 GLY A 0 -20.097 4.141 -6.311 1.00 11.36 H new ATOM 76 N MET A 1 -20.031 3.898 -3.462 1.00 9.76 N ATOM 77 CA MET A 1 -19.348 4.070 -2.175 1.00 8.91 C ATOM 78 C MET A 1 -18.096 4.927 -2.347 1.00 7.94 C ATOM 79 O MET A 1 -18.108 6.124 -2.068 1.00 7.83 O ATOM 80 CB MET A 1 -18.992 2.713 -1.546 1.00 9.07 C ATOM 81 CG MET A 1 -18.283 2.824 -0.205 1.00 9.23 C ATOM 82 SD MET A 1 -17.765 1.219 0.439 1.00 9.52 S ATOM 83 CE MET A 1 -19.343 0.387 0.596 1.00 10.00 C ATOM 0 H MET A 1 -20.947 4.345 -3.506 1.00 9.76 H new ATOM 0 HA MET A 1 -20.032 4.582 -1.497 1.00 8.91 H new ATOM 0 HB2 MET A 1 -19.905 2.133 -1.416 1.00 9.07 H new ATOM 0 HB3 MET A 1 -18.357 2.158 -2.237 1.00 9.07 H new ATOM 0 HG2 MET A 1 -17.410 3.468 -0.312 1.00 9.23 H new ATOM 0 HG3 MET A 1 -18.947 3.303 0.515 1.00 9.23 H new ATOM 0 HE1 MET A 1 -19.180 -0.647 0.899 1.00 10.00 H new ATOM 0 HE2 MET A 1 -19.949 0.894 1.347 1.00 10.00 H new ATOM 0 HE3 MET A 1 -19.862 0.407 -0.362 1.00 10.00 H new ATOM 93 N ALA A 2 -17.025 4.309 -2.814 1.00 7.42 N ATOM 94 CA ALA A 2 -15.792 5.017 -3.105 1.00 6.49 C ATOM 95 C ALA A 2 -15.424 4.816 -4.565 1.00 5.57 C ATOM 96 O ALA A 2 -15.759 3.787 -5.158 1.00 5.73 O ATOM 97 CB ALA A 2 -14.672 4.541 -2.197 1.00 6.46 C ATOM 0 H ALA A 2 -16.986 3.307 -3.001 1.00 7.42 H new ATOM 0 HA ALA A 2 -15.940 6.081 -2.920 1.00 6.49 H new ATOM 0 HB1 ALA A 2 -13.757 5.085 -2.432 1.00 6.46 H new ATOM 0 HB2 ALA A 2 -14.945 4.722 -1.157 1.00 6.46 H new ATOM 0 HB3 ALA A 2 -14.509 3.474 -2.349 1.00 6.46 H new ATOM 103 N ASP A 3 -14.744 5.788 -5.145 1.00 4.82 N ATOM 104 CA ASP A 3 -14.368 5.703 -6.545 1.00 4.07 C ATOM 105 C ASP A 3 -13.141 4.827 -6.705 1.00 3.42 C ATOM 106 O ASP A 3 -12.247 4.834 -5.864 1.00 3.36 O ATOM 107 CB ASP A 3 -14.096 7.079 -7.127 1.00 3.92 C ATOM 108 CG ASP A 3 -14.029 7.062 -8.637 1.00 3.91 C ATOM 109 OD1 ASP A 3 -12.941 6.778 -9.183 1.00 4.23 O ATOM 110 OD2 ASP A 3 -15.061 7.327 -9.289 1.00 4.05 O ATOM 0 H ASP A 3 -14.442 6.640 -4.673 1.00 4.82 H new ATOM 0 HA ASP A 3 -15.203 5.260 -7.089 1.00 4.07 H new ATOM 0 HB2 ASP A 3 -14.879 7.767 -6.808 1.00 3.92 H new ATOM 0 HB3 ASP A 3 -13.156 7.460 -6.728 1.00 3.92 H new ATOM 115 N GLN A 4 -13.101 4.102 -7.804 1.00 3.34 N ATOM 116 CA GLN A 4 -12.051 3.122 -8.057 1.00 3.48 C ATOM 117 C GLN A 4 -10.709 3.785 -8.359 1.00 2.99 C ATOM 118 O GLN A 4 -9.678 3.115 -8.407 1.00 3.54 O ATOM 119 CB GLN A 4 -12.464 2.213 -9.212 1.00 4.26 C ATOM 120 CG GLN A 4 -12.712 2.953 -10.514 1.00 4.71 C ATOM 121 CD GLN A 4 -13.286 2.055 -11.590 1.00 5.51 C ATOM 122 OE1 GLN A 4 -12.552 1.435 -12.360 1.00 5.74 O ATOM 123 NE2 GLN A 4 -14.605 1.976 -11.648 1.00 6.23 N ATOM 0 H GLN A 4 -13.793 4.171 -8.550 1.00 3.34 H new ATOM 0 HA GLN A 4 -11.922 2.530 -7.151 1.00 3.48 H new ATOM 0 HB2 GLN A 4 -11.686 1.467 -9.371 1.00 4.26 H new ATOM 0 HB3 GLN A 4 -13.369 1.674 -8.933 1.00 4.26 H new ATOM 0 HG2 GLN A 4 -13.397 3.781 -10.333 1.00 4.71 H new ATOM 0 HG3 GLN A 4 -11.776 3.385 -10.867 1.00 4.71 H new ATOM 0 HE21 GLN A 4 -15.177 2.506 -10.991 1.00 6.23 H new ATOM 0 HE22 GLN A 4 -15.050 1.385 -12.350 1.00 6.23 H new ATOM 132 N ARG A 5 -10.730 5.090 -8.584 1.00 2.50 N ATOM 133 CA ARG A 5 -9.511 5.853 -8.807 1.00 2.68 C ATOM 134 C ARG A 5 -8.888 6.296 -7.486 1.00 2.06 C ATOM 135 O ARG A 5 -7.671 6.468 -7.392 1.00 2.58 O ATOM 136 CB ARG A 5 -9.814 7.073 -9.666 1.00 3.25 C ATOM 137 CG ARG A 5 -9.920 6.762 -11.148 1.00 4.11 C ATOM 138 CD ARG A 5 -8.557 6.527 -11.783 1.00 4.98 C ATOM 139 NE ARG A 5 -8.672 6.198 -13.205 1.00 5.72 N ATOM 140 CZ ARG A 5 -7.649 5.829 -13.979 1.00 6.72 C ATOM 141 NH1 ARG A 5 -6.412 5.791 -13.492 1.00 7.07 N ATOM 142 NH2 ARG A 5 -7.863 5.517 -15.251 1.00 7.54 N ATOM 0 H ARG A 5 -11.584 5.646 -8.617 1.00 2.50 H new ATOM 0 HA ARG A 5 -8.798 5.210 -9.323 1.00 2.68 H new ATOM 0 HB2 ARG A 5 -10.749 7.521 -9.330 1.00 3.25 H new ATOM 0 HB3 ARG A 5 -9.032 7.817 -9.514 1.00 3.25 H new ATOM 0 HG2 ARG A 5 -10.542 5.878 -11.289 1.00 4.11 H new ATOM 0 HG3 ARG A 5 -10.419 7.587 -11.656 1.00 4.11 H new ATOM 0 HD2 ARG A 5 -7.942 7.419 -11.664 1.00 4.98 H new ATOM 0 HD3 ARG A 5 -8.048 5.716 -11.262 1.00 4.98 H new ATOM 0 HE ARG A 5 -9.596 6.255 -13.633 1.00 5.72 H new ATOM 0 HH11 ARG A 5 -6.239 6.045 -12.519 1.00 7.07 H new ATOM 0 HH12 ARG A 5 -5.637 5.508 -14.091 1.00 7.07 H new ATOM 0 HH21 ARG A 5 -8.807 5.560 -15.635 1.00 7.54 H new ATOM 0 HH22 ARG A 5 -7.083 5.235 -15.845 1.00 7.54 H new ATOM 156 N GLN A 6 -9.746 6.464 -6.474 1.00 1.28 N ATOM 157 CA GLN A 6 -9.348 6.947 -5.144 1.00 0.78 C ATOM 158 C GLN A 6 -8.924 8.417 -5.205 1.00 0.83 C ATOM 159 O GLN A 6 -8.328 8.869 -6.183 1.00 1.14 O ATOM 160 CB GLN A 6 -8.246 6.093 -4.538 1.00 0.87 C ATOM 161 CG GLN A 6 -8.515 4.599 -4.625 1.00 0.82 C ATOM 162 CD GLN A 6 -9.855 4.129 -4.074 1.00 1.10 C ATOM 163 OE1 GLN A 6 -10.458 4.758 -3.211 1.00 1.97 O ATOM 164 NE2 GLN A 6 -10.302 2.973 -4.559 1.00 1.15 N ATOM 0 H GLN A 6 -10.744 6.268 -6.554 1.00 1.28 H new ATOM 0 HA GLN A 6 -10.219 6.864 -4.494 1.00 0.78 H new ATOM 0 HB2 GLN A 6 -7.306 6.314 -5.044 1.00 0.87 H new ATOM 0 HB3 GLN A 6 -8.117 6.370 -3.492 1.00 0.87 H new ATOM 0 HG2 GLN A 6 -8.449 4.298 -5.671 1.00 0.82 H new ATOM 0 HG3 GLN A 6 -7.721 4.075 -4.092 1.00 0.82 H new ATOM 0 HE21 GLN A 6 -9.770 2.481 -5.277 1.00 1.15 H new ATOM 0 HE22 GLN A 6 -11.177 2.579 -4.213 1.00 1.15 H new ATOM 173 N ARG A 7 -9.233 9.160 -4.157 1.00 0.84 N ATOM 174 CA ARG A 7 -9.064 10.613 -4.173 1.00 1.03 C ATOM 175 C ARG A 7 -7.625 11.057 -3.884 1.00 0.98 C ATOM 176 O ARG A 7 -7.249 12.186 -4.194 1.00 1.17 O ATOM 177 CB ARG A 7 -10.045 11.263 -3.186 1.00 1.18 C ATOM 178 CG ARG A 7 -10.033 10.656 -1.786 1.00 1.16 C ATOM 179 CD ARG A 7 -8.931 11.244 -0.916 1.00 1.14 C ATOM 180 NE ARG A 7 -9.118 12.676 -0.690 1.00 1.61 N ATOM 181 CZ ARG A 7 -8.122 13.532 -0.463 1.00 1.80 C ATOM 182 NH1 ARG A 7 -6.869 13.100 -0.413 1.00 1.51 N ATOM 183 NH2 ARG A 7 -8.380 14.819 -0.277 1.00 2.67 N ATOM 0 H ARG A 7 -9.602 8.787 -3.282 1.00 0.84 H new ATOM 0 HA ARG A 7 -9.285 10.950 -5.186 1.00 1.03 H new ATOM 0 HB2 ARG A 7 -9.812 12.325 -3.109 1.00 1.18 H new ATOM 0 HB3 ARG A 7 -11.053 11.186 -3.593 1.00 1.18 H new ATOM 0 HG2 ARG A 7 -10.999 10.825 -1.310 1.00 1.16 H new ATOM 0 HG3 ARG A 7 -9.899 9.577 -1.860 1.00 1.16 H new ATOM 0 HD2 ARG A 7 -8.910 10.725 0.042 1.00 1.14 H new ATOM 0 HD3 ARG A 7 -7.965 11.075 -1.391 1.00 1.14 H new ATOM 0 HE ARG A 7 -10.070 13.043 -0.707 1.00 1.61 H new ATOM 0 HH11 ARG A 7 -6.665 12.110 -0.549 1.00 1.51 H new ATOM 0 HH12 ARG A 7 -6.109 13.758 -0.239 1.00 1.51 H new ATOM 0 HH21 ARG A 7 -9.342 15.156 -0.307 1.00 2.67 H new ATOM 0 HH22 ARG A 7 -7.616 15.472 -0.103 1.00 2.67 H new ATOM 197 N SER A 8 -6.830 10.185 -3.282 1.00 0.77 N ATOM 198 CA SER A 8 -5.476 10.518 -2.915 1.00 0.75 C ATOM 199 C SER A 8 -4.447 9.949 -3.893 1.00 0.75 C ATOM 200 O SER A 8 -3.872 10.680 -4.704 1.00 1.06 O ATOM 201 CB SER A 8 -5.245 9.977 -1.524 1.00 0.65 C ATOM 202 OG SER A 8 -6.019 8.811 -1.319 1.00 1.38 O ATOM 0 H SER A 8 -7.110 9.235 -3.039 1.00 0.77 H new ATOM 0 HA SER A 8 -5.348 11.600 -2.945 1.00 0.75 H new ATOM 0 HB2 SER A 8 -4.188 9.750 -1.385 1.00 0.65 H new ATOM 0 HB3 SER A 8 -5.509 10.732 -0.784 1.00 0.65 H new ATOM 0 HG SER A 8 -6.736 9.003 -0.679 1.00 1.38 H new ATOM 208 N LEU A 9 -4.222 8.646 -3.815 1.00 0.54 N ATOM 209 CA LEU A 9 -3.204 7.996 -4.625 1.00 0.53 C ATOM 210 C LEU A 9 -3.827 7.264 -5.818 1.00 0.55 C ATOM 211 O LEU A 9 -5.005 7.450 -6.123 1.00 0.59 O ATOM 212 CB LEU A 9 -2.326 7.050 -3.765 1.00 0.44 C ATOM 213 CG LEU A 9 -3.021 5.975 -2.901 1.00 0.35 C ATOM 214 CD1 LEU A 9 -3.501 6.544 -1.579 1.00 0.66 C ATOM 215 CD2 LEU A 9 -4.177 5.325 -3.632 1.00 0.65 C ATOM 0 H LEU A 9 -4.733 8.016 -3.196 1.00 0.54 H new ATOM 0 HA LEU A 9 -2.551 8.770 -5.027 1.00 0.53 H new ATOM 0 HB2 LEU A 9 -1.635 6.539 -4.436 1.00 0.44 H new ATOM 0 HB3 LEU A 9 -1.725 7.670 -3.100 1.00 0.44 H new ATOM 0 HG LEU A 9 -2.271 5.211 -2.698 1.00 0.35 H new ATOM 0 HD11 LEU A 9 -3.985 5.758 -0.999 1.00 0.66 H new ATOM 0 HD12 LEU A 9 -2.650 6.936 -1.021 1.00 0.66 H new ATOM 0 HD13 LEU A 9 -4.213 7.348 -1.766 1.00 0.66 H new ATOM 0 HD21 LEU A 9 -4.638 4.575 -2.989 1.00 0.65 H new ATOM 0 HD22 LEU A 9 -4.915 6.083 -3.893 1.00 0.65 H new ATOM 0 HD23 LEU A 9 -3.811 4.848 -4.541 1.00 0.65 H new HETATM 227 N SEP A 10 -3.035 6.422 -6.469 1.00 0.56 N HETATM 228 CA SEP A 10 -3.484 5.688 -7.638 1.00 0.60 C HETATM 229 CB SEP A 10 -2.477 5.819 -8.772 1.00 0.74 C HETATM 230 OG SEP A 10 -2.296 7.183 -9.134 1.00 1.08 O HETATM 231 C SEP A 10 -3.662 4.227 -7.287 1.00 0.47 C HETATM 232 O SEP A 10 -2.709 3.555 -6.887 1.00 0.46 O HETATM 233 P SEP A 10 -0.714 7.488 -9.108 1.00 1.55 P HETATM 234 O1P SEP A 10 0.000 6.408 -10.007 1.00 2.41 O HETATM 235 O2P SEP A 10 -0.187 7.221 -7.631 1.00 2.39 O HETATM 236 O3P SEP A 10 -0.525 8.895 -9.563 1.00 2.04 O HETATM 0 HB3 SEP A 10 -1.523 5.389 -8.468 1.00 0.74 H new HETATM 0 HB2 SEP A 10 -2.821 5.251 -9.637 1.00 0.74 H new HETATM 0 HA SEP A 10 -4.437 6.105 -7.964 1.00 0.60 H new HETATM 0 H SEP A 10 -2.150 6.929 -6.494 1.00 0.56 H new ATOM 241 N THR A 11 -4.874 3.739 -7.416 1.00 0.43 N ATOM 242 CA THR A 11 -5.170 2.372 -7.072 1.00 0.36 C ATOM 243 C THR A 11 -4.758 1.395 -8.159 1.00 0.37 C ATOM 244 O THR A 11 -5.513 1.122 -9.095 1.00 0.44 O ATOM 245 CB THR A 11 -6.652 2.211 -6.762 1.00 0.44 C ATOM 246 OG1 THR A 11 -7.366 3.338 -7.282 1.00 0.60 O ATOM 247 CG2 THR A 11 -6.859 2.107 -5.267 1.00 0.54 C ATOM 0 H THR A 11 -5.673 4.273 -7.758 1.00 0.43 H new ATOM 0 HA THR A 11 -4.583 2.136 -6.184 1.00 0.36 H new ATOM 0 HB THR A 11 -7.026 1.299 -7.228 1.00 0.44 H new ATOM 0 HG1 THR A 11 -8.295 3.083 -7.460 1.00 0.60 H new ATOM 0 HG21 THR A 11 -7.922 1.992 -5.054 1.00 0.54 H new ATOM 0 HG22 THR A 11 -6.317 1.243 -4.884 1.00 0.54 H new ATOM 0 HG23 THR A 11 -6.488 3.011 -4.785 1.00 0.54 H new ATOM 255 N SER A 12 -3.544 0.901 -8.039 1.00 0.36 N ATOM 256 CA SER A 12 -3.076 -0.183 -8.870 1.00 0.40 C ATOM 257 C SER A 12 -2.423 -1.247 -7.996 1.00 0.34 C ATOM 258 O SER A 12 -1.199 -1.346 -7.911 1.00 0.41 O ATOM 259 CB SER A 12 -2.105 0.345 -9.932 1.00 0.53 C ATOM 260 OG SER A 12 -1.301 1.395 -9.414 1.00 1.26 O ATOM 0 H SER A 12 -2.858 1.239 -7.365 1.00 0.36 H new ATOM 0 HA SER A 12 -3.919 -0.637 -9.391 1.00 0.40 H new ATOM 0 HB2 SER A 12 -1.467 -0.467 -10.282 1.00 0.53 H new ATOM 0 HB3 SER A 12 -2.666 0.704 -10.795 1.00 0.53 H new ATOM 0 HG SER A 12 -0.689 1.713 -10.111 1.00 1.26 H new ATOM 266 N GLY A 13 -3.263 -2.041 -7.334 1.00 0.28 N ATOM 267 CA GLY A 13 -2.767 -3.095 -6.474 1.00 0.29 C ATOM 268 C GLY A 13 -2.121 -4.212 -7.256 1.00 0.27 C ATOM 269 O GLY A 13 -1.392 -5.031 -6.698 1.00 0.27 O ATOM 0 H GLY A 13 -4.279 -1.970 -7.381 1.00 0.28 H new ATOM 0 HA2 GLY A 13 -2.044 -2.679 -5.773 1.00 0.29 H new ATOM 0 HA3 GLY A 13 -3.590 -3.496 -5.883 1.00 0.29 H new ATOM 273 N GLU A 14 -2.368 -4.232 -8.555 1.00 0.28 N ATOM 274 CA GLU A 14 -1.824 -5.267 -9.423 1.00 0.26 C ATOM 275 C GLU A 14 -0.305 -5.143 -9.550 1.00 0.20 C ATOM 276 O GLU A 14 0.375 -6.074 -9.980 1.00 0.23 O ATOM 277 CB GLU A 14 -2.473 -5.194 -10.805 1.00 0.32 C ATOM 278 CG GLU A 14 -2.338 -3.832 -11.466 1.00 0.35 C ATOM 279 CD GLU A 14 -2.910 -3.803 -12.865 1.00 0.95 C ATOM 280 OE1 GLU A 14 -2.321 -4.435 -13.767 1.00 0.99 O ATOM 281 OE2 GLU A 14 -3.960 -3.165 -13.069 1.00 1.60 O ATOM 0 H GLU A 14 -2.944 -3.541 -9.035 1.00 0.28 H new ATOM 0 HA GLU A 14 -2.049 -6.234 -8.973 1.00 0.26 H new ATOM 0 HB2 GLU A 14 -2.022 -5.948 -11.450 1.00 0.32 H new ATOM 0 HB3 GLU A 14 -3.531 -5.442 -10.715 1.00 0.32 H new ATOM 0 HG2 GLU A 14 -2.844 -3.085 -10.855 1.00 0.35 H new ATOM 0 HG3 GLU A 14 -1.285 -3.553 -11.503 1.00 0.35 H new ATOM 288 N SER A 15 0.223 -3.989 -9.167 1.00 0.21 N ATOM 289 CA SER A 15 1.652 -3.736 -9.245 1.00 0.22 C ATOM 290 C SER A 15 2.350 -4.153 -7.953 1.00 0.19 C ATOM 291 O SER A 15 3.570 -4.182 -7.896 1.00 0.22 O ATOM 292 CB SER A 15 1.912 -2.254 -9.550 1.00 0.31 C ATOM 293 OG SER A 15 3.299 -1.969 -9.638 1.00 0.74 O ATOM 0 H SER A 15 -0.322 -3.210 -8.797 1.00 0.21 H new ATOM 0 HA SER A 15 2.065 -4.335 -10.056 1.00 0.22 H new ATOM 0 HB2 SER A 15 1.426 -1.985 -10.488 1.00 0.31 H new ATOM 0 HB3 SER A 15 1.463 -1.638 -8.770 1.00 0.31 H new ATOM 0 HG SER A 15 3.804 -2.647 -9.143 1.00 0.74 H new ATOM 299 N LEU A 16 1.558 -4.492 -6.931 1.00 0.16 N ATOM 300 CA LEU A 16 2.061 -4.794 -5.580 1.00 0.14 C ATOM 301 C LEU A 16 3.362 -5.592 -5.576 1.00 0.14 C ATOM 302 O LEU A 16 4.350 -5.163 -4.984 1.00 0.16 O ATOM 303 CB LEU A 16 0.997 -5.554 -4.796 1.00 0.16 C ATOM 304 CG LEU A 16 0.347 -4.771 -3.661 1.00 0.16 C ATOM 305 CD1 LEU A 16 0.191 -3.305 -4.034 1.00 0.16 C ATOM 306 CD2 LEU A 16 -1.002 -5.381 -3.329 1.00 0.18 C ATOM 0 H LEU A 16 0.544 -4.566 -7.014 1.00 0.16 H new ATOM 0 HA LEU A 16 2.281 -3.835 -5.110 1.00 0.14 H new ATOM 0 HB2 LEU A 16 0.218 -5.875 -5.488 1.00 0.16 H new ATOM 0 HB3 LEU A 16 1.448 -6.456 -4.383 1.00 0.16 H new ATOM 0 HG LEU A 16 0.991 -4.826 -2.783 1.00 0.16 H new ATOM 0 HD11 LEU A 16 -0.275 -2.767 -3.208 1.00 0.16 H new ATOM 0 HD12 LEU A 16 1.172 -2.876 -4.239 1.00 0.16 H new ATOM 0 HD13 LEU A 16 -0.435 -3.220 -4.922 1.00 0.16 H new ATOM 0 HD21 LEU A 16 -1.465 -4.820 -2.517 1.00 0.18 H new ATOM 0 HD22 LEU A 16 -1.645 -5.344 -4.209 1.00 0.18 H new ATOM 0 HD23 LEU A 16 -0.867 -6.418 -3.022 1.00 0.18 H new ATOM 318 N TYR A 17 3.367 -6.743 -6.235 1.00 0.17 N ATOM 319 CA TYR A 17 4.556 -7.593 -6.257 1.00 0.20 C ATOM 320 C TYR A 17 5.739 -6.883 -6.913 1.00 0.24 C ATOM 321 O TYR A 17 6.882 -7.041 -6.489 1.00 0.34 O ATOM 322 CB TYR A 17 4.275 -8.930 -6.956 1.00 0.25 C ATOM 323 CG TYR A 17 3.772 -8.841 -8.384 1.00 0.63 C ATOM 324 CD1 TYR A 17 4.657 -8.682 -9.443 1.00 1.22 C ATOM 325 CD2 TYR A 17 2.413 -8.879 -8.668 1.00 0.69 C ATOM 326 CE1 TYR A 17 4.202 -8.566 -10.743 1.00 1.66 C ATOM 327 CE2 TYR A 17 1.950 -8.770 -9.965 1.00 1.08 C ATOM 328 CZ TYR A 17 2.854 -8.741 -11.009 1.00 1.53 C ATOM 329 OH TYR A 17 2.390 -8.492 -12.293 1.00 1.99 O ATOM 0 H TYR A 17 2.571 -7.109 -6.757 1.00 0.17 H new ATOM 0 HA TYR A 17 4.821 -7.802 -5.220 1.00 0.20 H new ATOM 0 HB2 TYR A 17 5.192 -9.520 -6.951 1.00 0.25 H new ATOM 0 HB3 TYR A 17 3.540 -9.478 -6.366 1.00 0.25 H new ATOM 0 HD1 TYR A 17 5.719 -8.648 -9.247 1.00 1.22 H new ATOM 0 HD2 TYR A 17 1.706 -8.996 -7.860 1.00 0.69 H new ATOM 0 HE1 TYR A 17 4.891 -8.341 -11.544 1.00 1.66 H new ATOM 0 HE2 TYR A 17 0.890 -8.708 -10.161 1.00 1.08 H new ATOM 0 HH TYR A 17 1.425 -8.658 -12.330 1.00 1.99 H new ATOM 339 N HIS A 18 5.447 -6.074 -7.921 1.00 0.22 N ATOM 340 CA HIS A 18 6.470 -5.344 -8.664 1.00 0.26 C ATOM 341 C HIS A 18 6.975 -4.166 -7.856 1.00 0.23 C ATOM 342 O HIS A 18 8.108 -3.713 -8.024 1.00 0.29 O ATOM 343 CB HIS A 18 5.887 -4.846 -9.994 1.00 0.31 C ATOM 344 CG HIS A 18 6.854 -4.079 -10.845 1.00 0.82 C ATOM 345 ND1 HIS A 18 7.005 -2.709 -10.767 1.00 1.62 N ATOM 346 CD2 HIS A 18 7.711 -4.495 -11.805 1.00 1.37 C ATOM 347 CE1 HIS A 18 7.911 -2.319 -11.642 1.00 1.96 C ATOM 348 NE2 HIS A 18 8.355 -3.382 -12.285 1.00 1.74 N ATOM 0 H HIS A 18 4.496 -5.904 -8.248 1.00 0.22 H new ATOM 0 HA HIS A 18 7.305 -6.017 -8.861 1.00 0.26 H new ATOM 0 HB2 HIS A 18 5.523 -5.703 -10.561 1.00 0.31 H new ATOM 0 HB3 HIS A 18 5.025 -4.213 -9.785 1.00 0.31 H new ATOM 0 HD2 HIS A 18 7.861 -5.513 -12.133 1.00 1.37 H new ATOM 0 HE1 HIS A 18 8.235 -1.302 -11.805 1.00 1.96 H new ATOM 0 HE2 HIS A 18 9.062 -3.377 -13.020 1.00 1.74 H new ATOM 357 N VAL A 19 6.117 -3.689 -6.982 1.00 0.17 N ATOM 358 CA VAL A 19 6.395 -2.525 -6.175 1.00 0.16 C ATOM 359 C VAL A 19 7.659 -2.722 -5.338 1.00 0.17 C ATOM 360 O VAL A 19 8.529 -1.849 -5.288 1.00 0.20 O ATOM 361 CB VAL A 19 5.183 -2.215 -5.267 1.00 0.15 C ATOM 362 CG1 VAL A 19 5.542 -1.218 -4.199 1.00 0.18 C ATOM 363 CG2 VAL A 19 4.022 -1.689 -6.089 1.00 0.19 C ATOM 0 H VAL A 19 5.200 -4.102 -6.811 1.00 0.17 H new ATOM 0 HA VAL A 19 6.568 -1.678 -6.839 1.00 0.16 H new ATOM 0 HB VAL A 19 4.887 -3.146 -4.784 1.00 0.15 H new ATOM 0 HG11 VAL A 19 4.669 -1.021 -3.577 1.00 0.18 H new ATOM 0 HG12 VAL A 19 6.345 -1.620 -3.581 1.00 0.18 H new ATOM 0 HG13 VAL A 19 5.873 -0.290 -4.664 1.00 0.18 H new ATOM 0 HG21 VAL A 19 3.178 -1.476 -5.433 1.00 0.19 H new ATOM 0 HG22 VAL A 19 4.323 -0.775 -6.601 1.00 0.19 H new ATOM 0 HG23 VAL A 19 3.729 -2.437 -6.826 1.00 0.19 H new ATOM 373 N LEU A 20 7.773 -3.885 -4.717 1.00 0.18 N ATOM 374 CA LEU A 20 8.880 -4.147 -3.801 1.00 0.24 C ATOM 375 C LEU A 20 9.697 -5.377 -4.197 1.00 0.27 C ATOM 376 O LEU A 20 10.860 -5.498 -3.814 1.00 0.33 O ATOM 377 CB LEU A 20 8.381 -4.271 -2.357 1.00 0.28 C ATOM 378 CG LEU A 20 6.921 -4.694 -2.182 1.00 0.23 C ATOM 379 CD1 LEU A 20 6.675 -6.072 -2.766 1.00 0.25 C ATOM 380 CD2 LEU A 20 6.543 -4.663 -0.710 1.00 0.28 C ATOM 0 H LEU A 20 7.119 -4.660 -4.827 1.00 0.18 H new ATOM 0 HA LEU A 20 9.548 -3.288 -3.869 1.00 0.24 H new ATOM 0 HB2 LEU A 20 9.012 -4.992 -1.837 1.00 0.28 H new ATOM 0 HB3 LEU A 20 8.521 -3.310 -1.862 1.00 0.28 H new ATOM 0 HG LEU A 20 6.293 -3.987 -2.724 1.00 0.23 H new ATOM 0 HD11 LEU A 20 5.629 -6.345 -2.626 1.00 0.25 H new ATOM 0 HD12 LEU A 20 6.909 -6.063 -3.831 1.00 0.25 H new ATOM 0 HD13 LEU A 20 7.310 -6.800 -2.261 1.00 0.25 H new ATOM 0 HD21 LEU A 20 5.502 -4.966 -0.595 1.00 0.28 H new ATOM 0 HD22 LEU A 20 7.183 -5.349 -0.155 1.00 0.28 H new ATOM 0 HD23 LEU A 20 6.672 -3.652 -0.322 1.00 0.28 H new ATOM 392 N GLY A 21 9.091 -6.283 -4.954 1.00 0.27 N ATOM 393 CA GLY A 21 9.792 -7.485 -5.373 1.00 0.32 C ATOM 394 C GLY A 21 9.476 -8.692 -4.507 1.00 0.34 C ATOM 395 O GLY A 21 10.381 -9.417 -4.093 1.00 0.65 O ATOM 0 H GLY A 21 8.129 -6.209 -5.285 1.00 0.27 H new ATOM 0 HA2 GLY A 21 9.530 -7.709 -6.407 1.00 0.32 H new ATOM 0 HA3 GLY A 21 10.866 -7.299 -5.349 1.00 0.32 H new ATOM 399 N LEU A 22 8.195 -8.913 -4.242 1.00 0.19 N ATOM 400 CA LEU A 22 7.747 -10.059 -3.451 1.00 0.16 C ATOM 401 C LEU A 22 6.235 -10.203 -3.617 1.00 0.17 C ATOM 402 O LEU A 22 5.559 -9.229 -3.942 1.00 0.19 O ATOM 403 CB LEU A 22 8.109 -9.866 -1.965 1.00 0.14 C ATOM 404 CG LEU A 22 8.477 -11.141 -1.172 1.00 0.15 C ATOM 405 CD1 LEU A 22 8.716 -12.321 -2.102 1.00 0.19 C ATOM 406 CD2 LEU A 22 9.719 -10.901 -0.331 1.00 0.18 C ATOM 0 H LEU A 22 7.439 -8.309 -4.565 1.00 0.19 H new ATOM 0 HA LEU A 22 8.245 -10.963 -3.800 1.00 0.16 H new ATOM 0 HB2 LEU A 22 8.949 -9.174 -1.906 1.00 0.14 H new ATOM 0 HB3 LEU A 22 7.265 -9.387 -1.468 1.00 0.14 H new ATOM 0 HG LEU A 22 7.636 -11.377 -0.520 1.00 0.15 H new ATOM 0 HD11 LEU A 22 8.973 -13.202 -1.514 1.00 0.19 H new ATOM 0 HD12 LEU A 22 7.812 -12.520 -2.677 1.00 0.19 H new ATOM 0 HD13 LEU A 22 9.535 -12.088 -2.782 1.00 0.19 H new ATOM 0 HD21 LEU A 22 9.965 -11.808 0.221 1.00 0.18 H new ATOM 0 HD22 LEU A 22 10.552 -10.634 -0.981 1.00 0.18 H new ATOM 0 HD23 LEU A 22 9.532 -10.088 0.371 1.00 0.18 H new ATOM 418 N ASP A 23 5.711 -11.408 -3.413 1.00 0.18 N ATOM 419 CA ASP A 23 4.271 -11.656 -3.521 1.00 0.21 C ATOM 420 C ASP A 23 3.918 -13.061 -3.090 1.00 0.23 C ATOM 421 O ASP A 23 4.209 -14.012 -3.799 1.00 0.26 O ATOM 422 CB ASP A 23 3.749 -11.443 -4.951 1.00 0.29 C ATOM 423 CG ASP A 23 4.466 -12.265 -6.017 1.00 1.05 C ATOM 424 OD1 ASP A 23 5.712 -12.215 -6.072 1.00 1.77 O ATOM 425 OD2 ASP A 23 3.794 -12.985 -6.787 1.00 1.13 O ATOM 0 H ASP A 23 6.261 -12.232 -3.171 1.00 0.18 H new ATOM 0 HA ASP A 23 3.795 -10.934 -2.857 1.00 0.21 H new ATOM 0 HB2 ASP A 23 2.687 -11.687 -4.976 1.00 0.29 H new ATOM 0 HB3 ASP A 23 3.840 -10.387 -5.203 1.00 0.29 H new ATOM 430 N LYS A 24 3.288 -13.161 -1.917 1.00 0.23 N ATOM 431 CA LYS A 24 2.681 -14.401 -1.380 1.00 0.28 C ATOM 432 C LYS A 24 3.555 -15.661 -1.483 1.00 0.28 C ATOM 433 O LYS A 24 3.097 -16.757 -1.165 1.00 0.34 O ATOM 434 CB LYS A 24 1.328 -14.657 -2.054 1.00 0.35 C ATOM 435 CG LYS A 24 1.402 -14.819 -3.564 1.00 0.37 C ATOM 436 CD LYS A 24 1.106 -16.245 -3.994 1.00 0.43 C ATOM 437 CE LYS A 24 2.346 -16.947 -4.518 1.00 0.50 C ATOM 438 NZ LYS A 24 2.035 -18.301 -5.044 1.00 1.42 N ATOM 0 H LYS A 24 3.178 -12.364 -1.290 1.00 0.23 H new ATOM 0 HA LYS A 24 2.563 -14.217 -0.312 1.00 0.28 H new ATOM 0 HB2 LYS A 24 0.886 -15.556 -1.625 1.00 0.35 H new ATOM 0 HB3 LYS A 24 0.657 -13.830 -1.821 1.00 0.35 H new ATOM 0 HG2 LYS A 24 0.691 -14.142 -4.037 1.00 0.37 H new ATOM 0 HG3 LYS A 24 2.395 -14.533 -3.912 1.00 0.37 H new ATOM 0 HD2 LYS A 24 0.703 -16.803 -3.149 1.00 0.43 H new ATOM 0 HD3 LYS A 24 0.338 -16.239 -4.767 1.00 0.43 H new ATOM 0 HE2 LYS A 24 2.797 -16.346 -5.307 1.00 0.50 H new ATOM 0 HE3 LYS A 24 3.082 -17.028 -3.718 1.00 0.50 H new ATOM 0 HZ1 LYS A 24 2.908 -18.747 -5.392 1.00 1.42 H new ATOM 0 HZ2 LYS A 24 1.628 -18.883 -4.285 1.00 1.42 H new ATOM 0 HZ3 LYS A 24 1.352 -18.222 -5.824 1.00 1.42 H new ATOM 452 N ASN A 25 4.795 -15.513 -1.893 1.00 0.25 N ATOM 453 CA ASN A 25 5.717 -16.630 -1.917 1.00 0.28 C ATOM 454 C ASN A 25 6.518 -16.618 -0.637 1.00 0.25 C ATOM 455 O ASN A 25 6.841 -17.658 -0.062 1.00 0.31 O ATOM 456 CB ASN A 25 6.673 -16.563 -3.112 1.00 0.31 C ATOM 457 CG ASN A 25 6.015 -16.908 -4.431 1.00 0.35 C ATOM 458 OD1 ASN A 25 5.943 -18.076 -4.816 1.00 0.40 O ATOM 459 ND2 ASN A 25 5.552 -15.897 -5.139 1.00 0.37 N ATOM 0 H ASN A 25 5.190 -14.629 -2.215 1.00 0.25 H new ATOM 0 HA ASN A 25 5.138 -17.549 -2.011 1.00 0.28 H new ATOM 0 HB2 ASN A 25 7.093 -15.559 -3.176 1.00 0.31 H new ATOM 0 HB3 ASN A 25 7.505 -17.246 -2.940 1.00 0.31 H new ATOM 0 HD21 ASN A 25 5.113 -16.067 -6.044 1.00 0.37 H new ATOM 0 HD22 ASN A 25 5.633 -14.945 -4.782 1.00 0.37 H new ATOM 466 N ALA A 26 6.820 -15.410 -0.199 1.00 0.20 N ATOM 467 CA ALA A 26 7.566 -15.189 1.016 1.00 0.19 C ATOM 468 C ALA A 26 6.646 -15.211 2.209 1.00 0.19 C ATOM 469 O ALA A 26 5.435 -15.010 2.085 1.00 0.24 O ATOM 470 CB ALA A 26 8.287 -13.863 0.947 1.00 0.18 C ATOM 0 H ALA A 26 6.551 -14.553 -0.682 1.00 0.20 H new ATOM 0 HA ALA A 26 8.299 -15.989 1.124 1.00 0.19 H new ATOM 0 HB1 ALA A 26 8.847 -13.705 1.869 1.00 0.18 H new ATOM 0 HB2 ALA A 26 8.974 -13.866 0.101 1.00 0.18 H new ATOM 0 HB3 ALA A 26 7.561 -13.060 0.822 1.00 0.18 H new ATOM 476 N THR A 27 7.229 -15.462 3.349 1.00 0.21 N ATOM 477 CA THR A 27 6.509 -15.463 4.595 1.00 0.24 C ATOM 478 C THR A 27 6.519 -14.054 5.163 1.00 0.21 C ATOM 479 O THR A 27 7.067 -13.140 4.538 1.00 0.21 O ATOM 480 CB THR A 27 7.167 -16.443 5.581 1.00 0.30 C ATOM 481 OG1 THR A 27 8.346 -15.858 6.147 1.00 0.33 O ATOM 482 CG2 THR A 27 7.561 -17.712 4.849 1.00 0.35 C ATOM 0 H THR A 27 8.223 -15.673 3.441 1.00 0.21 H new ATOM 0 HA THR A 27 5.480 -15.783 4.431 1.00 0.24 H new ATOM 0 HB THR A 27 6.454 -16.670 6.374 1.00 0.30 H new ATOM 0 HG1 THR A 27 8.333 -15.973 7.120 1.00 0.33 H new ATOM 0 HG21 THR A 27 8.027 -18.406 5.549 1.00 0.35 H new ATOM 0 HG22 THR A 27 6.673 -18.174 4.417 1.00 0.35 H new ATOM 0 HG23 THR A 27 8.266 -17.469 4.054 1.00 0.35 H new ATOM 490 N SER A 28 5.929 -13.867 6.332 1.00 0.26 N ATOM 491 CA SER A 28 5.971 -12.577 6.998 1.00 0.32 C ATOM 492 C SER A 28 7.418 -12.185 7.288 1.00 0.31 C ATOM 493 O SER A 28 7.716 -11.034 7.590 1.00 0.41 O ATOM 494 CB SER A 28 5.152 -12.611 8.291 1.00 0.40 C ATOM 495 OG SER A 28 5.041 -11.318 8.862 1.00 1.54 O ATOM 0 H SER A 28 5.417 -14.590 6.838 1.00 0.26 H new ATOM 0 HA SER A 28 5.532 -11.829 6.339 1.00 0.32 H new ATOM 0 HB2 SER A 28 4.158 -13.007 8.084 1.00 0.40 H new ATOM 0 HB3 SER A 28 5.622 -13.287 9.005 1.00 0.40 H new ATOM 0 HG SER A 28 5.877 -10.826 8.723 1.00 1.54 H new ATOM 501 N ASP A 29 8.318 -13.147 7.183 1.00 0.27 N ATOM 502 CA ASP A 29 9.728 -12.877 7.362 1.00 0.34 C ATOM 503 C ASP A 29 10.299 -12.159 6.143 1.00 0.32 C ATOM 504 O ASP A 29 10.901 -11.105 6.284 1.00 0.44 O ATOM 505 CB ASP A 29 10.513 -14.161 7.632 1.00 0.38 C ATOM 506 CG ASP A 29 11.990 -13.893 7.850 1.00 0.97 C ATOM 507 OD1 ASP A 29 12.346 -13.278 8.878 1.00 0.96 O ATOM 508 OD2 ASP A 29 12.807 -14.301 7.000 1.00 1.68 O ATOM 0 H ASP A 29 8.095 -14.120 6.975 1.00 0.27 H new ATOM 0 HA ASP A 29 9.829 -12.229 8.232 1.00 0.34 H new ATOM 0 HB2 ASP A 29 10.102 -14.658 8.510 1.00 0.38 H new ATOM 0 HB3 ASP A 29 10.389 -14.844 6.792 1.00 0.38 H new ATOM 513 N ASP A 30 10.088 -12.700 4.942 1.00 0.22 N ATOM 514 CA ASP A 30 10.710 -12.118 3.751 1.00 0.21 C ATOM 515 C ASP A 30 9.895 -10.970 3.154 1.00 0.16 C ATOM 516 O ASP A 30 10.471 -9.949 2.769 1.00 0.17 O ATOM 517 CB ASP A 30 10.996 -13.194 2.701 1.00 0.23 C ATOM 518 CG ASP A 30 12.312 -13.903 2.953 1.00 0.89 C ATOM 519 OD1 ASP A 30 13.364 -13.226 3.014 1.00 1.22 O ATOM 520 OD2 ASP A 30 12.305 -15.144 3.097 1.00 1.81 O ATOM 0 H ASP A 30 9.506 -13.520 4.769 1.00 0.22 H new ATOM 0 HA ASP A 30 11.658 -11.688 4.075 1.00 0.21 H new ATOM 0 HB2 ASP A 30 10.186 -13.924 2.701 1.00 0.23 H new ATOM 0 HB3 ASP A 30 11.014 -12.738 1.711 1.00 0.23 H new ATOM 525 N ILE A 31 8.569 -11.130 3.065 1.00 0.14 N ATOM 526 CA ILE A 31 7.684 -10.072 2.568 1.00 0.14 C ATOM 527 C ILE A 31 8.016 -8.708 3.188 1.00 0.14 C ATOM 528 O ILE A 31 8.120 -7.704 2.482 1.00 0.16 O ATOM 529 CB ILE A 31 6.195 -10.390 2.858 1.00 0.21 C ATOM 530 CG1 ILE A 31 5.767 -11.710 2.209 1.00 0.38 C ATOM 531 CG2 ILE A 31 5.305 -9.255 2.371 1.00 0.16 C ATOM 532 CD1 ILE A 31 5.606 -11.640 0.710 1.00 0.42 C ATOM 0 H ILE A 31 8.084 -11.987 3.332 1.00 0.14 H new ATOM 0 HA ILE A 31 7.847 -10.028 1.491 1.00 0.14 H new ATOM 0 HB ILE A 31 6.083 -10.493 3.937 1.00 0.21 H new ATOM 0 HG12 ILE A 31 6.505 -12.475 2.448 1.00 0.38 H new ATOM 0 HG13 ILE A 31 4.823 -12.029 2.650 1.00 0.38 H new ATOM 0 HG21 ILE A 31 4.263 -9.494 2.582 1.00 0.16 H new ATOM 0 HG22 ILE A 31 5.577 -8.333 2.885 1.00 0.16 H new ATOM 0 HG23 ILE A 31 5.437 -9.124 1.297 1.00 0.16 H new ATOM 0 HD11 ILE A 31 5.302 -12.616 0.331 1.00 0.42 H new ATOM 0 HD12 ILE A 31 4.846 -10.900 0.460 1.00 0.42 H new ATOM 0 HD13 ILE A 31 6.554 -11.354 0.255 1.00 0.42 H new ATOM 544 N LYS A 32 8.196 -8.677 4.506 1.00 0.17 N ATOM 545 CA LYS A 32 8.411 -7.417 5.215 1.00 0.21 C ATOM 546 C LYS A 32 9.759 -6.794 4.863 1.00 0.20 C ATOM 547 O LYS A 32 9.866 -5.577 4.713 1.00 0.21 O ATOM 548 CB LYS A 32 8.310 -7.618 6.725 1.00 0.29 C ATOM 549 CG LYS A 32 7.012 -8.277 7.151 1.00 0.33 C ATOM 550 CD LYS A 32 5.800 -7.512 6.661 1.00 0.35 C ATOM 551 CE LYS A 32 4.588 -8.417 6.580 1.00 0.43 C ATOM 552 NZ LYS A 32 3.345 -7.657 6.293 1.00 0.88 N ATOM 0 H LYS A 32 8.197 -9.504 5.102 1.00 0.17 H new ATOM 0 HA LYS A 32 7.626 -6.731 4.895 1.00 0.21 H new ATOM 0 HB2 LYS A 32 9.148 -8.228 7.061 1.00 0.29 H new ATOM 0 HB3 LYS A 32 8.400 -6.652 7.221 1.00 0.29 H new ATOM 0 HG2 LYS A 32 6.979 -9.296 6.764 1.00 0.33 H new ATOM 0 HG3 LYS A 32 6.981 -8.348 8.238 1.00 0.33 H new ATOM 0 HD2 LYS A 32 5.593 -6.680 7.334 1.00 0.35 H new ATOM 0 HD3 LYS A 32 6.007 -7.085 5.680 1.00 0.35 H new ATOM 0 HE2 LYS A 32 4.744 -9.164 5.801 1.00 0.43 H new ATOM 0 HE3 LYS A 32 4.474 -8.956 7.521 1.00 0.43 H new ATOM 0 HZ1 LYS A 32 2.684 -8.260 5.762 1.00 0.88 H new ATOM 0 HZ2 LYS A 32 2.903 -7.363 7.188 1.00 0.88 H new ATOM 0 HZ3 LYS A 32 3.576 -6.815 5.728 1.00 0.88 H new ATOM 566 N LYS A 33 10.783 -7.629 4.721 1.00 0.21 N ATOM 567 CA LYS A 33 12.120 -7.146 4.374 1.00 0.22 C ATOM 568 C LYS A 33 12.095 -6.526 2.988 1.00 0.19 C ATOM 569 O LYS A 33 12.739 -5.506 2.738 1.00 0.19 O ATOM 570 CB LYS A 33 13.136 -8.289 4.367 1.00 0.28 C ATOM 571 CG LYS A 33 12.996 -9.272 5.515 1.00 0.35 C ATOM 572 CD LYS A 33 13.301 -8.648 6.865 1.00 0.49 C ATOM 573 CE LYS A 33 13.022 -9.632 7.995 1.00 0.62 C ATOM 574 NZ LYS A 33 13.780 -10.903 7.832 1.00 1.41 N ATOM 0 H LYS A 33 10.716 -8.640 4.840 1.00 0.21 H new ATOM 0 HA LYS A 33 12.412 -6.410 5.122 1.00 0.22 H new ATOM 0 HB2 LYS A 33 13.043 -8.834 3.427 1.00 0.28 H new ATOM 0 HB3 LYS A 33 14.140 -7.864 4.391 1.00 0.28 H new ATOM 0 HG2 LYS A 33 11.981 -9.670 5.525 1.00 0.35 H new ATOM 0 HG3 LYS A 33 13.667 -10.115 5.349 1.00 0.35 H new ATOM 0 HD2 LYS A 33 14.345 -8.336 6.898 1.00 0.49 H new ATOM 0 HD3 LYS A 33 12.696 -7.751 7.001 1.00 0.49 H new ATOM 0 HE2 LYS A 33 13.286 -9.173 8.948 1.00 0.62 H new ATOM 0 HE3 LYS A 33 11.954 -9.849 8.030 1.00 0.62 H new ATOM 0 HZ1 LYS A 33 13.667 -11.486 8.686 1.00 1.41 H new ATOM 0 HZ2 LYS A 33 13.415 -11.422 7.008 1.00 1.41 H new ATOM 0 HZ3 LYS A 33 14.788 -10.690 7.689 1.00 1.41 H new ATOM 588 N SER A 34 11.339 -7.158 2.090 1.00 0.18 N ATOM 589 CA SER A 34 11.212 -6.693 0.716 1.00 0.18 C ATOM 590 C SER A 34 10.654 -5.282 0.688 1.00 0.19 C ATOM 591 O SER A 34 10.942 -4.511 -0.221 1.00 0.30 O ATOM 592 CB SER A 34 10.305 -7.626 -0.082 1.00 0.21 C ATOM 593 OG SER A 34 10.424 -7.384 -1.474 1.00 0.26 O ATOM 0 H SER A 34 10.802 -8.001 2.296 1.00 0.18 H new ATOM 0 HA SER A 34 12.202 -6.692 0.260 1.00 0.18 H new ATOM 0 HB2 SER A 34 10.564 -8.663 0.134 1.00 0.21 H new ATOM 0 HB3 SER A 34 9.270 -7.485 0.228 1.00 0.21 H new ATOM 0 HG SER A 34 10.883 -8.139 -1.899 1.00 0.26 H new ATOM 599 N TYR A 35 9.852 -4.955 1.688 1.00 0.17 N ATOM 600 CA TYR A 35 9.369 -3.599 1.851 1.00 0.18 C ATOM 601 C TYR A 35 10.474 -2.725 2.412 1.00 0.18 C ATOM 602 O TYR A 35 10.831 -1.729 1.824 1.00 0.26 O ATOM 603 CB TYR A 35 8.147 -3.542 2.782 1.00 0.22 C ATOM 604 CG TYR A 35 7.964 -2.188 3.449 1.00 0.24 C ATOM 605 CD1 TYR A 35 7.415 -1.119 2.749 1.00 0.33 C ATOM 606 CD2 TYR A 35 8.309 -1.986 4.779 1.00 0.29 C ATOM 607 CE1 TYR A 35 7.213 0.105 3.354 1.00 0.40 C ATOM 608 CE2 TYR A 35 8.117 -0.759 5.390 1.00 0.38 C ATOM 609 CZ TYR A 35 7.691 0.300 4.668 1.00 0.42 C ATOM 610 OH TYR A 35 7.352 1.501 5.277 1.00 0.51 O ATOM 0 H TYR A 35 9.524 -5.611 2.397 1.00 0.17 H new ATOM 0 HA TYR A 35 9.065 -3.232 0.870 1.00 0.18 H new ATOM 0 HB2 TYR A 35 7.251 -3.782 2.210 1.00 0.22 H new ATOM 0 HB3 TYR A 35 8.248 -4.308 3.551 1.00 0.22 H new ATOM 0 HD1 TYR A 35 7.142 -1.249 1.712 1.00 0.33 H new ATOM 0 HD2 TYR A 35 8.735 -2.800 5.346 1.00 0.29 H new ATOM 0 HE1 TYR A 35 6.699 0.899 2.832 1.00 0.40 H new ATOM 0 HE2 TYR A 35 8.308 -0.648 6.447 1.00 0.38 H new ATOM 0 HH TYR A 35 7.732 1.529 6.180 1.00 0.51 H new ATOM 620 N ARG A 36 11.030 -3.142 3.536 1.00 0.16 N ATOM 621 CA ARG A 36 11.924 -2.299 4.323 1.00 0.19 C ATOM 622 C ARG A 36 13.147 -1.838 3.551 1.00 0.21 C ATOM 623 O ARG A 36 13.306 -0.650 3.298 1.00 0.23 O ATOM 624 CB ARG A 36 12.357 -3.020 5.586 1.00 0.25 C ATOM 625 CG ARG A 36 11.239 -3.123 6.595 1.00 0.29 C ATOM 626 CD ARG A 36 11.756 -3.429 7.986 1.00 0.42 C ATOM 627 NE ARG A 36 10.730 -3.214 9.007 1.00 0.83 N ATOM 628 CZ ARG A 36 10.616 -3.941 10.115 1.00 1.30 C ATOM 629 NH1 ARG A 36 11.460 -4.934 10.348 1.00 1.53 N ATOM 630 NH2 ARG A 36 9.658 -3.673 10.993 1.00 1.74 N ATOM 0 H ARG A 36 10.878 -4.070 3.931 1.00 0.16 H new ATOM 0 HA ARG A 36 11.354 -1.406 4.580 1.00 0.19 H new ATOM 0 HB2 ARG A 36 12.706 -4.020 5.330 1.00 0.25 H new ATOM 0 HB3 ARG A 36 13.200 -2.493 6.033 1.00 0.25 H new ATOM 0 HG2 ARG A 36 10.680 -2.187 6.614 1.00 0.29 H new ATOM 0 HG3 ARG A 36 10.543 -3.904 6.287 1.00 0.29 H new ATOM 0 HD2 ARG A 36 12.098 -4.463 8.027 1.00 0.42 H new ATOM 0 HD3 ARG A 36 12.619 -2.799 8.200 1.00 0.42 H new ATOM 0 HE ARG A 36 10.060 -2.459 8.860 1.00 0.83 H new ATOM 0 HH11 ARG A 36 12.199 -5.143 9.677 1.00 1.53 H new ATOM 0 HH12 ARG A 36 11.371 -5.490 11.198 1.00 1.53 H new ATOM 0 HH21 ARG A 36 9.006 -2.908 10.819 1.00 1.74 H new ATOM 0 HH22 ARG A 36 9.573 -4.232 11.842 1.00 1.74 H new ATOM 644 N LYS A 37 13.997 -2.777 3.169 1.00 0.35 N ATOM 645 CA LYS A 37 15.255 -2.449 2.485 1.00 0.45 C ATOM 646 C LYS A 37 15.001 -1.646 1.208 1.00 0.40 C ATOM 647 O LYS A 37 15.872 -0.929 0.716 1.00 0.43 O ATOM 648 CB LYS A 37 16.026 -3.730 2.151 1.00 0.67 C ATOM 649 CG LYS A 37 15.267 -4.679 1.231 1.00 0.78 C ATOM 650 CD LYS A 37 16.011 -5.990 1.043 1.00 1.04 C ATOM 651 CE LYS A 37 15.185 -7.004 0.262 1.00 0.85 C ATOM 652 NZ LYS A 37 14.963 -6.592 -1.150 1.00 1.37 N ATOM 0 H LYS A 37 13.846 -3.775 3.317 1.00 0.35 H new ATOM 0 HA LYS A 37 15.851 -1.835 3.160 1.00 0.45 H new ATOM 0 HB2 LYS A 37 16.972 -3.462 1.681 1.00 0.67 H new ATOM 0 HB3 LYS A 37 16.266 -4.251 3.078 1.00 0.67 H new ATOM 0 HG2 LYS A 37 14.279 -4.877 1.647 1.00 0.78 H new ATOM 0 HG3 LYS A 37 15.116 -4.204 0.262 1.00 0.78 H new ATOM 0 HD2 LYS A 37 16.948 -5.804 0.518 1.00 1.04 H new ATOM 0 HD3 LYS A 37 16.268 -6.405 2.018 1.00 1.04 H new ATOM 0 HE2 LYS A 37 15.690 -7.970 0.280 1.00 0.85 H new ATOM 0 HE3 LYS A 37 14.221 -7.139 0.754 1.00 0.85 H new ATOM 0 HZ1 LYS A 37 14.396 -7.315 -1.638 1.00 1.37 H new ATOM 0 HZ2 LYS A 37 14.457 -5.683 -1.171 1.00 1.37 H new ATOM 0 HZ3 LYS A 37 15.880 -6.489 -1.630 1.00 1.37 H new ATOM 666 N LEU A 38 13.803 -1.794 0.681 1.00 0.45 N ATOM 667 CA LEU A 38 13.384 -1.131 -0.537 1.00 0.61 C ATOM 668 C LEU A 38 12.688 0.205 -0.195 1.00 0.60 C ATOM 669 O LEU A 38 12.671 1.141 -0.992 1.00 0.76 O ATOM 670 CB LEU A 38 12.525 -2.173 -1.304 1.00 1.00 C ATOM 671 CG LEU A 38 11.285 -1.738 -2.090 1.00 0.27 C ATOM 672 CD1 LEU A 38 10.183 -1.291 -1.150 1.00 0.57 C ATOM 673 CD2 LEU A 38 11.620 -0.674 -3.118 1.00 0.44 C ATOM 0 H LEU A 38 13.082 -2.387 1.093 1.00 0.45 H new ATOM 0 HA LEU A 38 14.204 -0.828 -1.189 1.00 0.61 H new ATOM 0 HB2 LEU A 38 13.187 -2.681 -2.005 1.00 1.00 H new ATOM 0 HB3 LEU A 38 12.199 -2.917 -0.577 1.00 1.00 H new ATOM 0 HG LEU A 38 10.917 -2.602 -2.643 1.00 0.27 H new ATOM 0 HD11 LEU A 38 9.312 -0.986 -1.730 1.00 0.57 H new ATOM 0 HD12 LEU A 38 9.910 -2.115 -0.491 1.00 0.57 H new ATOM 0 HD13 LEU A 38 10.534 -0.449 -0.552 1.00 0.57 H new ATOM 0 HD21 LEU A 38 10.715 -0.390 -3.656 1.00 0.44 H new ATOM 0 HD22 LEU A 38 12.032 0.201 -2.615 1.00 0.44 H new ATOM 0 HD23 LEU A 38 12.353 -1.067 -3.823 1.00 0.44 H new ATOM 685 N ALA A 39 12.189 0.299 1.034 1.00 0.49 N ATOM 686 CA ALA A 39 11.415 1.449 1.493 1.00 0.59 C ATOM 687 C ALA A 39 12.299 2.642 1.801 1.00 0.57 C ATOM 688 O ALA A 39 12.113 3.710 1.219 1.00 0.72 O ATOM 689 CB ALA A 39 10.578 1.089 2.708 1.00 0.59 C ATOM 0 H ALA A 39 12.311 -0.424 1.743 1.00 0.49 H new ATOM 0 HA ALA A 39 10.749 1.731 0.677 1.00 0.59 H new ATOM 0 HB1 ALA A 39 10.011 1.962 3.031 1.00 0.59 H new ATOM 0 HB2 ALA A 39 9.890 0.284 2.450 1.00 0.59 H new ATOM 0 HB3 ALA A 39 11.232 0.762 3.516 1.00 0.59 H new ATOM 695 N LEU A 40 13.273 2.484 2.704 1.00 0.44 N ATOM 696 CA LEU A 40 14.183 3.597 2.984 1.00 0.51 C ATOM 697 C LEU A 40 15.027 3.920 1.751 1.00 0.46 C ATOM 698 O LEU A 40 15.678 4.956 1.684 1.00 0.58 O ATOM 699 CB LEU A 40 15.075 3.387 4.237 1.00 0.56 C ATOM 700 CG LEU A 40 15.751 2.017 4.465 1.00 0.51 C ATOM 701 CD1 LEU A 40 14.786 1.037 5.104 1.00 0.48 C ATOM 702 CD2 LEU A 40 16.328 1.437 3.182 1.00 0.44 C ATOM 0 H LEU A 40 13.448 1.631 3.235 1.00 0.44 H new ATOM 0 HA LEU A 40 13.551 4.452 3.222 1.00 0.51 H new ATOM 0 HB2 LEU A 40 15.863 4.140 4.208 1.00 0.56 H new ATOM 0 HB3 LEU A 40 14.463 3.600 5.114 1.00 0.56 H new ATOM 0 HG LEU A 40 16.584 2.185 5.148 1.00 0.51 H new ATOM 0 HD11 LEU A 40 15.286 0.080 5.254 1.00 0.48 H new ATOM 0 HD12 LEU A 40 14.454 1.428 6.066 1.00 0.48 H new ATOM 0 HD13 LEU A 40 13.924 0.898 4.452 1.00 0.48 H new ATOM 0 HD21 LEU A 40 16.792 0.474 3.395 1.00 0.44 H new ATOM 0 HD22 LEU A 40 15.529 1.302 2.452 1.00 0.44 H new ATOM 0 HD23 LEU A 40 17.076 2.119 2.779 1.00 0.44 H new ATOM 714 N LYS A 41 14.956 3.047 0.759 1.00 0.37 N ATOM 715 CA LYS A 41 15.684 3.221 -0.481 1.00 0.40 C ATOM 716 C LYS A 41 14.947 4.224 -1.378 1.00 0.39 C ATOM 717 O LYS A 41 15.547 4.873 -2.236 1.00 0.48 O ATOM 718 CB LYS A 41 15.862 1.838 -1.131 1.00 0.51 C ATOM 719 CG LYS A 41 16.251 1.833 -2.599 1.00 0.62 C ATOM 720 CD LYS A 41 15.018 1.798 -3.481 1.00 0.65 C ATOM 721 CE LYS A 41 15.356 1.485 -4.924 1.00 0.72 C ATOM 722 NZ LYS A 41 16.322 2.459 -5.499 1.00 1.41 N ATOM 0 H LYS A 41 14.391 2.199 0.794 1.00 0.37 H new ATOM 0 HA LYS A 41 16.676 3.639 -0.308 1.00 0.40 H new ATOM 0 HB2 LYS A 41 16.623 1.292 -0.573 1.00 0.51 H new ATOM 0 HB3 LYS A 41 14.929 1.285 -1.022 1.00 0.51 H new ATOM 0 HG2 LYS A 41 16.842 2.720 -2.827 1.00 0.62 H new ATOM 0 HG3 LYS A 41 16.880 0.968 -2.811 1.00 0.62 H new ATOM 0 HD2 LYS A 41 14.323 1.049 -3.102 1.00 0.65 H new ATOM 0 HD3 LYS A 41 14.509 2.760 -3.429 1.00 0.65 H new ATOM 0 HE2 LYS A 41 15.774 0.480 -4.988 1.00 0.72 H new ATOM 0 HE3 LYS A 41 14.442 1.488 -5.518 1.00 0.72 H new ATOM 0 HZ1 LYS A 41 16.433 2.278 -6.517 1.00 1.41 H new ATOM 0 HZ2 LYS A 41 15.967 3.426 -5.356 1.00 1.41 H new ATOM 0 HZ3 LYS A 41 17.243 2.355 -5.026 1.00 1.41 H new ATOM 736 N TYR A 42 13.647 4.368 -1.143 1.00 0.36 N ATOM 737 CA TYR A 42 12.834 5.363 -1.838 1.00 0.36 C ATOM 738 C TYR A 42 12.501 6.524 -0.918 1.00 0.40 C ATOM 739 O TYR A 42 11.682 7.376 -1.246 1.00 0.40 O ATOM 740 CB TYR A 42 11.536 4.748 -2.347 1.00 0.33 C ATOM 741 CG TYR A 42 11.682 4.034 -3.662 1.00 0.36 C ATOM 742 CD1 TYR A 42 11.622 4.735 -4.854 1.00 0.38 C ATOM 743 CD2 TYR A 42 11.865 2.667 -3.710 1.00 0.38 C ATOM 744 CE1 TYR A 42 11.736 4.088 -6.068 1.00 0.44 C ATOM 745 CE2 TYR A 42 11.986 2.009 -4.918 1.00 0.43 C ATOM 746 CZ TYR A 42 11.920 2.723 -6.094 1.00 0.45 C ATOM 747 OH TYR A 42 12.030 2.064 -7.298 1.00 0.52 O ATOM 0 H TYR A 42 13.129 3.803 -0.470 1.00 0.36 H new ATOM 0 HA TYR A 42 13.417 5.725 -2.685 1.00 0.36 H new ATOM 0 HB2 TYR A 42 11.160 4.047 -1.602 1.00 0.33 H new ATOM 0 HB3 TYR A 42 10.788 5.534 -2.451 1.00 0.33 H new ATOM 0 HD1 TYR A 42 11.484 5.806 -4.834 1.00 0.38 H new ATOM 0 HD2 TYR A 42 11.914 2.104 -2.790 1.00 0.38 H new ATOM 0 HE1 TYR A 42 11.681 4.647 -6.990 1.00 0.44 H new ATOM 0 HE2 TYR A 42 12.132 0.939 -4.941 1.00 0.43 H new ATOM 0 HH TYR A 42 12.157 1.106 -7.136 1.00 0.52 H new ATOM 757 N HIS A 43 13.137 6.551 0.237 1.00 0.46 N ATOM 758 CA HIS A 43 12.882 7.593 1.215 1.00 0.53 C ATOM 759 C HIS A 43 13.449 8.921 0.728 1.00 0.56 C ATOM 760 O HIS A 43 14.653 9.032 0.504 1.00 0.62 O ATOM 761 CB HIS A 43 13.515 7.215 2.554 1.00 0.62 C ATOM 762 CG HIS A 43 12.585 7.315 3.725 1.00 0.71 C ATOM 763 ND1 HIS A 43 13.024 7.304 5.028 1.00 1.17 N ATOM 764 CD2 HIS A 43 11.234 7.416 3.789 1.00 0.87 C ATOM 765 CE1 HIS A 43 11.993 7.390 5.844 1.00 1.12 C ATOM 766 NE2 HIS A 43 10.895 7.461 5.119 1.00 0.87 N ATOM 0 H HIS A 43 13.834 5.864 0.522 1.00 0.46 H new ATOM 0 HA HIS A 43 11.805 7.698 1.346 1.00 0.53 H new ATOM 0 HB2 HIS A 43 13.891 6.194 2.490 1.00 0.62 H new ATOM 0 HB3 HIS A 43 14.375 7.861 2.731 1.00 0.62 H new ATOM 0 HD2 HIS A 43 10.553 7.454 2.952 1.00 0.87 H new ATOM 0 HE1 HIS A 43 12.040 7.401 6.923 1.00 1.12 H new ATOM 0 HE2 HIS A 43 9.946 7.537 5.486 1.00 0.87 H new ATOM 775 N PRO A 44 12.593 9.940 0.538 1.00 0.54 N ATOM 776 CA PRO A 44 13.026 11.292 0.150 1.00 0.58 C ATOM 777 C PRO A 44 14.037 11.866 1.137 1.00 0.68 C ATOM 778 O PRO A 44 14.833 12.737 0.795 1.00 0.72 O ATOM 779 CB PRO A 44 11.733 12.116 0.170 1.00 0.58 C ATOM 780 CG PRO A 44 10.754 11.285 0.929 1.00 0.57 C ATOM 781 CD PRO A 44 11.133 9.860 0.665 1.00 0.51 C ATOM 0 HA PRO A 44 13.524 11.297 -0.820 1.00 0.58 H new ATOM 0 HB2 PRO A 44 11.888 13.081 0.652 1.00 0.58 H new ATOM 0 HB3 PRO A 44 11.379 12.318 -0.841 1.00 0.58 H new ATOM 0 HG2 PRO A 44 10.795 11.509 1.995 1.00 0.57 H new ATOM 0 HG3 PRO A 44 9.734 11.485 0.600 1.00 0.57 H new ATOM 0 HD2 PRO A 44 10.832 9.202 1.480 1.00 0.51 H new ATOM 0 HD3 PRO A 44 10.667 9.477 -0.243 1.00 0.51 H new ATOM 789 N ASP A 45 13.997 11.358 2.364 1.00 0.74 N ATOM 790 CA ASP A 45 14.968 11.717 3.388 1.00 0.85 C ATOM 791 C ASP A 45 16.384 11.357 2.940 1.00 0.89 C ATOM 792 O ASP A 45 17.351 12.008 3.320 1.00 0.96 O ATOM 793 CB ASP A 45 14.632 11.000 4.696 1.00 0.92 C ATOM 794 CG ASP A 45 15.546 11.393 5.838 1.00 1.06 C ATOM 795 OD1 ASP A 45 15.314 12.458 6.450 1.00 1.11 O ATOM 796 OD2 ASP A 45 16.493 10.636 6.138 1.00 1.16 O ATOM 0 H ASP A 45 13.293 10.688 2.675 1.00 0.74 H new ATOM 0 HA ASP A 45 14.923 12.794 3.548 1.00 0.85 H new ATOM 0 HB2 ASP A 45 13.601 11.221 4.971 1.00 0.92 H new ATOM 0 HB3 ASP A 45 14.696 9.923 4.541 1.00 0.92 H new ATOM 801 N LYS A 46 16.491 10.322 2.113 1.00 0.87 N ATOM 802 CA LYS A 46 17.782 9.894 1.583 1.00 0.94 C ATOM 803 C LYS A 46 17.940 10.351 0.142 1.00 0.90 C ATOM 804 O LYS A 46 19.037 10.323 -0.412 1.00 0.99 O ATOM 805 CB LYS A 46 17.919 8.370 1.644 1.00 1.00 C ATOM 806 CG LYS A 46 17.524 7.773 2.981 1.00 1.04 C ATOM 807 CD LYS A 46 17.914 6.305 3.083 1.00 1.13 C ATOM 808 CE LYS A 46 19.421 6.112 3.050 1.00 1.57 C ATOM 809 NZ LYS A 46 20.090 6.754 4.212 1.00 2.08 N ATOM 0 H LYS A 46 15.699 9.763 1.795 1.00 0.87 H new ATOM 0 HA LYS A 46 18.561 10.346 2.197 1.00 0.94 H new ATOM 0 HB2 LYS A 46 17.301 7.927 0.862 1.00 1.00 H new ATOM 0 HB3 LYS A 46 18.952 8.098 1.426 1.00 1.00 H new ATOM 0 HG2 LYS A 46 18.003 8.333 3.784 1.00 1.04 H new ATOM 0 HG3 LYS A 46 16.448 7.873 3.120 1.00 1.04 H new ATOM 0 HD2 LYS A 46 17.515 5.888 4.008 1.00 1.13 H new ATOM 0 HD3 LYS A 46 17.460 5.751 2.261 1.00 1.13 H new ATOM 0 HE2 LYS A 46 19.650 5.046 3.043 1.00 1.57 H new ATOM 0 HE3 LYS A 46 19.820 6.530 2.126 1.00 1.57 H new ATOM 0 HZ1 LYS A 46 21.073 6.420 4.275 1.00 2.08 H new ATOM 0 HZ2 LYS A 46 20.083 7.787 4.090 1.00 2.08 H new ATOM 0 HZ3 LYS A 46 19.583 6.505 5.085 1.00 2.08 H new ATOM 823 N ASN A 47 16.837 10.771 -0.462 1.00 0.79 N ATOM 824 CA ASN A 47 16.839 11.188 -1.855 1.00 0.77 C ATOM 825 C ASN A 47 16.085 12.502 -2.009 1.00 0.74 C ATOM 826 O ASN A 47 14.932 12.524 -2.440 1.00 0.66 O ATOM 827 CB ASN A 47 16.209 10.121 -2.754 1.00 0.69 C ATOM 828 CG ASN A 47 16.803 8.742 -2.539 1.00 0.74 C ATOM 829 OD1 ASN A 47 17.765 8.354 -3.202 1.00 0.83 O ATOM 830 ND2 ASN A 47 16.238 7.995 -1.600 1.00 0.71 N ATOM 0 H ASN A 47 15.927 10.832 -0.006 1.00 0.79 H new ATOM 0 HA ASN A 47 17.876 11.326 -2.163 1.00 0.77 H new ATOM 0 HB2 ASN A 47 15.136 10.082 -2.566 1.00 0.69 H new ATOM 0 HB3 ASN A 47 16.340 10.409 -3.797 1.00 0.69 H new ATOM 0 HD21 ASN A 47 16.599 7.061 -1.405 1.00 0.71 H new ATOM 0 HD22 ASN A 47 15.442 8.354 -1.073 1.00 0.71 H new ATOM 837 N PRO A 48 16.719 13.606 -1.602 1.00 0.82 N ATOM 838 CA PRO A 48 16.144 14.950 -1.702 1.00 0.84 C ATOM 839 C PRO A 48 15.871 15.365 -3.142 1.00 0.84 C ATOM 840 O PRO A 48 16.459 14.814 -4.077 1.00 0.86 O ATOM 841 CB PRO A 48 17.225 15.850 -1.099 1.00 0.93 C ATOM 842 CG PRO A 48 18.478 15.051 -1.197 1.00 0.99 C ATOM 843 CD PRO A 48 18.052 13.631 -0.990 1.00 0.92 C ATOM 0 HA PRO A 48 15.180 15.009 -1.196 1.00 0.84 H new ATOM 0 HB2 PRO A 48 17.310 16.789 -1.646 1.00 0.93 H new ATOM 0 HB3 PRO A 48 16.997 16.104 -0.064 1.00 0.93 H new ATOM 0 HG2 PRO A 48 18.954 15.182 -2.169 1.00 0.99 H new ATOM 0 HG3 PRO A 48 19.202 15.359 -0.443 1.00 0.99 H new ATOM 0 HD2 PRO A 48 18.733 12.929 -1.472 1.00 0.92 H new ATOM 0 HD3 PRO A 48 18.018 13.368 0.067 1.00 0.92 H new ATOM 851 N ASP A 49 14.963 16.326 -3.301 1.00 0.85 N ATOM 852 CA ASP A 49 14.598 16.877 -4.608 1.00 0.89 C ATOM 853 C ASP A 49 13.804 15.861 -5.415 1.00 0.82 C ATOM 854 O ASP A 49 13.494 16.080 -6.588 1.00 0.88 O ATOM 855 CB ASP A 49 15.839 17.316 -5.397 1.00 0.98 C ATOM 856 CG ASP A 49 15.494 18.174 -6.602 1.00 1.08 C ATOM 857 OD1 ASP A 49 15.007 19.309 -6.415 1.00 1.20 O ATOM 858 OD2 ASP A 49 15.714 17.721 -7.747 1.00 1.09 O ATOM 0 H ASP A 49 14.456 16.748 -2.523 1.00 0.85 H new ATOM 0 HA ASP A 49 13.977 17.755 -4.432 1.00 0.89 H new ATOM 0 HB2 ASP A 49 16.505 17.873 -4.738 1.00 0.98 H new ATOM 0 HB3 ASP A 49 16.385 16.433 -5.729 1.00 0.98 H new ATOM 863 N ASN A 50 13.447 14.755 -4.785 1.00 0.74 N ATOM 864 CA ASN A 50 12.736 13.711 -5.485 1.00 0.68 C ATOM 865 C ASN A 50 11.427 13.391 -4.785 1.00 0.64 C ATOM 866 O ASN A 50 11.368 12.549 -3.890 1.00 0.61 O ATOM 867 CB ASN A 50 13.588 12.456 -5.618 1.00 0.65 C ATOM 868 CG ASN A 50 13.140 11.612 -6.790 1.00 0.64 C ATOM 869 OD1 ASN A 50 12.599 12.130 -7.767 1.00 0.83 O ATOM 870 ND2 ASN A 50 13.352 10.315 -6.714 1.00 0.74 N ATOM 0 H ASN A 50 13.637 14.562 -3.802 1.00 0.74 H new ATOM 0 HA ASN A 50 12.514 14.076 -6.488 1.00 0.68 H new ATOM 0 HB2 ASN A 50 14.634 12.735 -5.746 1.00 0.65 H new ATOM 0 HB3 ASN A 50 13.525 11.871 -4.700 1.00 0.65 H new ATOM 0 HD21 ASN A 50 13.065 9.706 -7.480 1.00 0.74 H new ATOM 0 HD22 ASN A 50 13.803 9.919 -5.889 1.00 0.74 H new ATOM 877 N PRO A 51 10.358 14.078 -5.195 1.00 0.67 N ATOM 878 CA PRO A 51 9.025 13.900 -4.633 1.00 0.68 C ATOM 879 C PRO A 51 8.387 12.627 -5.154 1.00 0.66 C ATOM 880 O PRO A 51 7.458 12.080 -4.556 1.00 0.67 O ATOM 881 CB PRO A 51 8.247 15.124 -5.128 1.00 0.78 C ATOM 882 CG PRO A 51 9.235 15.970 -5.859 1.00 0.79 C ATOM 883 CD PRO A 51 10.364 15.078 -6.254 1.00 0.73 C ATOM 0 HA PRO A 51 9.039 13.816 -3.546 1.00 0.68 H new ATOM 0 HB2 PRO A 51 7.427 14.827 -5.782 1.00 0.78 H new ATOM 0 HB3 PRO A 51 7.807 15.670 -4.294 1.00 0.78 H new ATOM 0 HG2 PRO A 51 8.778 16.425 -6.737 1.00 0.79 H new ATOM 0 HG3 PRO A 51 9.589 16.784 -5.226 1.00 0.79 H new ATOM 0 HD2 PRO A 51 10.205 14.631 -7.235 1.00 0.73 H new ATOM 0 HD3 PRO A 51 11.311 15.616 -6.299 1.00 0.73 H new ATOM 891 N GLU A 52 8.909 12.164 -6.282 1.00 0.66 N ATOM 892 CA GLU A 52 8.471 10.934 -6.889 1.00 0.67 C ATOM 893 C GLU A 52 8.759 9.783 -5.945 1.00 0.57 C ATOM 894 O GLU A 52 7.965 8.859 -5.807 1.00 0.56 O ATOM 895 CB GLU A 52 9.194 10.759 -8.216 1.00 0.72 C ATOM 896 CG GLU A 52 10.340 9.816 -8.121 1.00 0.95 C ATOM 897 CD GLU A 52 10.460 8.896 -9.312 1.00 1.28 C ATOM 898 OE1 GLU A 52 11.125 9.273 -10.292 1.00 1.66 O ATOM 899 OE2 GLU A 52 9.895 7.782 -9.269 1.00 1.53 O ATOM 0 H GLU A 52 9.650 12.640 -6.796 1.00 0.66 H new ATOM 0 HA GLU A 52 7.398 10.956 -7.079 1.00 0.67 H new ATOM 0 HB2 GLU A 52 8.490 10.395 -8.964 1.00 0.72 H new ATOM 0 HB3 GLU A 52 9.553 11.729 -8.561 1.00 0.72 H new ATOM 0 HG2 GLU A 52 11.263 10.387 -8.018 1.00 0.95 H new ATOM 0 HG3 GLU A 52 10.233 9.216 -7.217 1.00 0.95 H new ATOM 906 N ALA A 53 9.898 9.884 -5.276 1.00 0.53 N ATOM 907 CA ALA A 53 10.329 8.871 -4.326 1.00 0.46 C ATOM 908 C ALA A 53 9.321 8.715 -3.194 1.00 0.42 C ATOM 909 O ALA A 53 9.113 7.617 -2.700 1.00 0.37 O ATOM 910 CB ALA A 53 11.706 9.209 -3.783 1.00 0.47 C ATOM 0 H ALA A 53 10.546 10.666 -5.376 1.00 0.53 H new ATOM 0 HA ALA A 53 10.389 7.916 -4.849 1.00 0.46 H new ATOM 0 HB1 ALA A 53 12.016 8.442 -3.073 1.00 0.47 H new ATOM 0 HB2 ALA A 53 12.421 9.252 -4.605 1.00 0.47 H new ATOM 0 HB3 ALA A 53 11.672 10.176 -3.281 1.00 0.47 H new ATOM 916 N ALA A 54 8.680 9.814 -2.803 1.00 0.45 N ATOM 917 CA ALA A 54 7.637 9.772 -1.779 1.00 0.44 C ATOM 918 C ALA A 54 6.449 8.944 -2.252 1.00 0.43 C ATOM 919 O ALA A 54 5.826 8.225 -1.473 1.00 0.41 O ATOM 920 CB ALA A 54 7.172 11.176 -1.438 1.00 0.51 C ATOM 0 H ALA A 54 8.864 10.744 -3.179 1.00 0.45 H new ATOM 0 HA ALA A 54 8.060 9.307 -0.888 1.00 0.44 H new ATOM 0 HB1 ALA A 54 6.396 11.127 -0.674 1.00 0.51 H new ATOM 0 HB2 ALA A 54 8.014 11.757 -1.062 1.00 0.51 H new ATOM 0 HB3 ALA A 54 6.772 11.654 -2.332 1.00 0.51 H new ATOM 926 N ASP A 55 6.152 9.058 -3.536 1.00 0.46 N ATOM 927 CA ASP A 55 5.037 8.349 -4.153 1.00 0.47 C ATOM 928 C ASP A 55 5.410 6.894 -4.407 1.00 0.39 C ATOM 929 O ASP A 55 4.579 5.994 -4.296 1.00 0.36 O ATOM 930 CB ASP A 55 4.665 9.056 -5.455 1.00 0.57 C ATOM 931 CG ASP A 55 3.472 8.439 -6.153 1.00 0.63 C ATOM 932 OD1 ASP A 55 2.328 8.768 -5.778 1.00 0.72 O ATOM 933 OD2 ASP A 55 3.678 7.603 -7.057 1.00 0.66 O ATOM 0 H ASP A 55 6.677 9.646 -4.184 1.00 0.46 H new ATOM 0 HA ASP A 55 4.177 8.356 -3.484 1.00 0.47 H new ATOM 0 HB2 ASP A 55 4.451 10.104 -5.243 1.00 0.57 H new ATOM 0 HB3 ASP A 55 5.522 9.036 -6.129 1.00 0.57 H new ATOM 938 N LYS A 56 6.670 6.666 -4.744 1.00 0.39 N ATOM 939 CA LYS A 56 7.210 5.321 -4.811 1.00 0.34 C ATOM 940 C LYS A 56 7.194 4.689 -3.425 1.00 0.28 C ATOM 941 O LYS A 56 6.786 3.545 -3.249 1.00 0.26 O ATOM 942 CB LYS A 56 8.637 5.365 -5.327 1.00 0.38 C ATOM 943 CG LYS A 56 8.816 6.101 -6.644 1.00 0.48 C ATOM 944 CD LYS A 56 8.297 5.293 -7.819 1.00 0.64 C ATOM 945 CE LYS A 56 6.823 5.558 -8.085 1.00 0.83 C ATOM 946 NZ LYS A 56 6.290 4.709 -9.183 1.00 0.98 N ATOM 0 H LYS A 56 7.339 7.400 -4.976 1.00 0.39 H new ATOM 0 HA LYS A 56 6.597 4.726 -5.488 1.00 0.34 H new ATOM 0 HB2 LYS A 56 9.266 5.839 -4.574 1.00 0.38 H new ATOM 0 HB3 LYS A 56 8.997 4.343 -5.446 1.00 0.38 H new ATOM 0 HG2 LYS A 56 8.292 7.056 -6.600 1.00 0.48 H new ATOM 0 HG3 LYS A 56 9.872 6.324 -6.795 1.00 0.48 H new ATOM 0 HD2 LYS A 56 8.876 5.536 -8.710 1.00 0.64 H new ATOM 0 HD3 LYS A 56 8.445 4.231 -7.623 1.00 0.64 H new ATOM 0 HE2 LYS A 56 6.252 5.373 -7.175 1.00 0.83 H new ATOM 0 HE3 LYS A 56 6.685 6.609 -8.340 1.00 0.83 H new ATOM 0 HZ1 LYS A 56 5.798 5.307 -9.877 1.00 0.98 H new ATOM 0 HZ2 LYS A 56 7.075 4.212 -9.650 1.00 0.98 H new ATOM 0 HZ3 LYS A 56 5.623 4.013 -8.792 1.00 0.98 H new ATOM 960 N PHE A 57 7.630 5.465 -2.440 1.00 0.27 N ATOM 961 CA PHE A 57 7.602 5.042 -1.043 1.00 0.24 C ATOM 962 C PHE A 57 6.163 4.811 -0.600 1.00 0.24 C ATOM 963 O PHE A 57 5.897 4.108 0.365 1.00 0.26 O ATOM 964 CB PHE A 57 8.274 6.093 -0.147 1.00 0.27 C ATOM 965 CG PHE A 57 8.289 5.730 1.314 1.00 0.27 C ATOM 966 CD1 PHE A 57 9.143 4.748 1.791 1.00 0.31 C ATOM 967 CD2 PHE A 57 7.455 6.379 2.210 1.00 0.30 C ATOM 968 CE1 PHE A 57 9.163 4.420 3.133 1.00 0.36 C ATOM 969 CE2 PHE A 57 7.469 6.052 3.553 1.00 0.34 C ATOM 970 CZ PHE A 57 8.307 5.049 4.010 1.00 0.37 C ATOM 0 H PHE A 57 8.011 6.400 -2.584 1.00 0.27 H new ATOM 0 HA PHE A 57 8.156 4.108 -0.949 1.00 0.24 H new ATOM 0 HB2 PHE A 57 9.300 6.242 -0.485 1.00 0.27 H new ATOM 0 HB3 PHE A 57 7.757 7.045 -0.269 1.00 0.27 H new ATOM 0 HD1 PHE A 57 9.800 4.233 1.106 1.00 0.31 H new ATOM 0 HD2 PHE A 57 6.786 7.149 1.855 1.00 0.30 H new ATOM 0 HE1 PHE A 57 9.850 3.670 3.495 1.00 0.36 H new ATOM 0 HE2 PHE A 57 6.827 6.578 4.245 1.00 0.34 H new ATOM 0 HZ PHE A 57 8.290 4.761 5.051 1.00 0.37 H new ATOM 980 N LYS A 58 5.247 5.395 -1.343 1.00 0.26 N ATOM 981 CA LYS A 58 3.833 5.317 -1.059 1.00 0.28 C ATOM 982 C LYS A 58 3.240 3.995 -1.563 1.00 0.26 C ATOM 983 O LYS A 58 2.409 3.388 -0.886 1.00 0.29 O ATOM 984 CB LYS A 58 3.166 6.534 -1.704 1.00 0.32 C ATOM 985 CG LYS A 58 1.743 6.316 -2.170 1.00 0.36 C ATOM 986 CD LYS A 58 1.291 7.414 -3.122 1.00 0.52 C ATOM 987 CE LYS A 58 1.570 8.804 -2.573 1.00 0.79 C ATOM 988 NZ LYS A 58 1.290 9.857 -3.582 1.00 1.41 N ATOM 0 H LYS A 58 5.469 5.945 -2.173 1.00 0.26 H new ATOM 0 HA LYS A 58 3.655 5.331 0.016 1.00 0.28 H new ATOM 0 HB2 LYS A 58 3.175 7.356 -0.988 1.00 0.32 H new ATOM 0 HB3 LYS A 58 3.767 6.848 -2.557 1.00 0.32 H new ATOM 0 HG2 LYS A 58 1.666 5.349 -2.667 1.00 0.36 H new ATOM 0 HG3 LYS A 58 1.078 6.285 -1.307 1.00 0.36 H new ATOM 0 HD2 LYS A 58 1.800 7.295 -4.079 1.00 0.52 H new ATOM 0 HD3 LYS A 58 0.223 7.309 -3.314 1.00 0.52 H new ATOM 0 HE2 LYS A 58 0.958 8.976 -1.688 1.00 0.79 H new ATOM 0 HE3 LYS A 58 2.611 8.869 -2.258 1.00 0.79 H new ATOM 0 HZ1 LYS A 58 1.602 10.779 -3.217 1.00 1.41 H new ATOM 0 HZ2 LYS A 58 1.803 9.641 -4.461 1.00 1.41 H new ATOM 0 HZ3 LYS A 58 0.269 9.889 -3.776 1.00 1.41 H new ATOM 1002 N GLU A 59 3.675 3.539 -2.737 1.00 0.25 N ATOM 1003 CA GLU A 59 3.220 2.250 -3.259 1.00 0.24 C ATOM 1004 C GLU A 59 3.892 1.104 -2.518 1.00 0.23 C ATOM 1005 O GLU A 59 3.277 0.067 -2.268 1.00 0.25 O ATOM 1006 CB GLU A 59 3.457 2.127 -4.772 1.00 0.28 C ATOM 1007 CG GLU A 59 4.875 2.432 -5.225 1.00 0.32 C ATOM 1008 CD GLU A 59 5.056 2.232 -6.716 1.00 0.40 C ATOM 1009 OE1 GLU A 59 4.615 3.102 -7.493 1.00 0.54 O ATOM 1010 OE2 GLU A 59 5.637 1.204 -7.126 1.00 0.51 O ATOM 0 H GLU A 59 4.333 4.035 -3.338 1.00 0.25 H new ATOM 0 HA GLU A 59 2.144 2.194 -3.092 1.00 0.24 H new ATOM 0 HB2 GLU A 59 3.202 1.114 -5.084 1.00 0.28 H new ATOM 0 HB3 GLU A 59 2.773 2.801 -5.288 1.00 0.28 H new ATOM 0 HG2 GLU A 59 5.124 3.461 -4.966 1.00 0.32 H new ATOM 0 HG3 GLU A 59 5.572 1.790 -4.687 1.00 0.32 H new ATOM 1017 N ILE A 60 5.152 1.291 -2.151 1.00 0.23 N ATOM 1018 CA ILE A 60 5.866 0.278 -1.386 1.00 0.24 C ATOM 1019 C ILE A 60 5.356 0.257 0.045 1.00 0.24 C ATOM 1020 O ILE A 60 5.350 -0.782 0.701 1.00 0.27 O ATOM 1021 CB ILE A 60 7.390 0.501 -1.423 1.00 0.26 C ATOM 1022 CG1 ILE A 60 7.782 1.760 -0.661 1.00 0.24 C ATOM 1023 CG2 ILE A 60 7.860 0.592 -2.864 1.00 0.29 C ATOM 1024 CD1 ILE A 60 9.230 2.151 -0.848 1.00 0.28 C ATOM 0 H ILE A 60 5.697 2.126 -2.368 1.00 0.23 H new ATOM 0 HA ILE A 60 5.675 -0.691 -1.846 1.00 0.24 H new ATOM 0 HB ILE A 60 7.873 -0.347 -0.938 1.00 0.26 H new ATOM 0 HG12 ILE A 60 7.146 2.584 -0.985 1.00 0.24 H new ATOM 0 HG13 ILE A 60 7.589 1.607 0.401 1.00 0.24 H new ATOM 0 HG21 ILE A 60 8.938 0.750 -2.886 1.00 0.29 H new ATOM 0 HG22 ILE A 60 7.618 -0.335 -3.385 1.00 0.29 H new ATOM 0 HG23 ILE A 60 7.361 1.426 -3.357 1.00 0.29 H new ATOM 0 HD11 ILE A 60 9.439 3.056 -0.277 1.00 0.28 H new ATOM 0 HD12 ILE A 60 9.873 1.344 -0.497 1.00 0.28 H new ATOM 0 HD13 ILE A 60 9.423 2.336 -1.905 1.00 0.28 H new ATOM 1036 N ASN A 61 4.895 1.420 0.500 1.00 0.24 N ATOM 1037 CA ASN A 61 4.205 1.551 1.778 1.00 0.28 C ATOM 1038 C ASN A 61 2.985 0.634 1.804 1.00 0.29 C ATOM 1039 O ASN A 61 2.563 0.156 2.855 1.00 0.36 O ATOM 1040 CB ASN A 61 3.762 3.012 1.966 1.00 0.36 C ATOM 1041 CG ASN A 61 2.794 3.228 3.113 1.00 0.51 C ATOM 1042 OD1 ASN A 61 3.203 3.491 4.242 1.00 0.62 O ATOM 1043 ND2 ASN A 61 1.502 3.145 2.827 1.00 0.60 N ATOM 0 H ASN A 61 4.990 2.299 -0.009 1.00 0.24 H new ATOM 0 HA ASN A 61 4.879 1.267 2.586 1.00 0.28 H new ATOM 0 HB2 ASN A 61 4.645 3.629 2.131 1.00 0.36 H new ATOM 0 HB3 ASN A 61 3.297 3.360 1.043 1.00 0.36 H new ATOM 0 HD21 ASN A 61 0.807 3.302 3.557 1.00 0.60 H new ATOM 0 HD22 ASN A 61 1.203 2.924 1.877 1.00 0.60 H new ATOM 1050 N ASN A 62 2.447 0.397 0.614 1.00 0.25 N ATOM 1051 CA ASN A 62 1.221 -0.361 0.427 1.00 0.27 C ATOM 1052 C ASN A 62 1.486 -1.862 0.418 1.00 0.22 C ATOM 1053 O ASN A 62 1.001 -2.588 1.272 1.00 0.20 O ATOM 1054 CB ASN A 62 0.595 0.029 -0.906 1.00 0.32 C ATOM 1055 CG ASN A 62 -0.828 -0.437 -1.044 1.00 0.36 C ATOM 1056 OD1 ASN A 62 -1.752 0.307 -0.762 1.00 0.77 O ATOM 1057 ND2 ASN A 62 -1.010 -1.672 -1.482 1.00 0.21 N ATOM 0 H ASN A 62 2.857 0.731 -0.258 1.00 0.25 H new ATOM 0 HA ASN A 62 0.552 -0.132 1.257 1.00 0.27 H new ATOM 0 HB2 ASN A 62 0.629 1.113 -1.014 1.00 0.32 H new ATOM 0 HB3 ASN A 62 1.190 -0.391 -1.717 1.00 0.32 H new ATOM 0 HD21 ASN A 62 -1.955 -2.038 -1.596 1.00 0.21 H new ATOM 0 HD22 ASN A 62 -0.205 -2.258 -1.705 1.00 0.21 H new ATOM 1064 N ALA A 63 2.278 -2.315 -0.557 1.00 0.20 N ATOM 1065 CA ALA A 63 2.466 -3.747 -0.816 1.00 0.18 C ATOM 1066 C ALA A 63 3.050 -4.497 0.389 1.00 0.14 C ATOM 1067 O ALA A 63 2.993 -5.724 0.453 1.00 0.14 O ATOM 1068 CB ALA A 63 3.363 -3.931 -2.029 1.00 0.19 C ATOM 0 H ALA A 63 2.803 -1.707 -1.185 1.00 0.20 H new ATOM 0 HA ALA A 63 1.482 -4.175 -1.007 1.00 0.18 H new ATOM 0 HB1 ALA A 63 3.502 -4.995 -2.221 1.00 0.19 H new ATOM 0 HB2 ALA A 63 2.900 -3.463 -2.898 1.00 0.19 H new ATOM 0 HB3 ALA A 63 4.331 -3.467 -1.840 1.00 0.19 H new ATOM 1074 N HIS A 64 3.591 -3.737 1.335 1.00 0.13 N ATOM 1075 CA HIS A 64 4.260 -4.264 2.528 1.00 0.11 C ATOM 1076 C HIS A 64 3.477 -5.400 3.218 1.00 0.13 C ATOM 1077 O HIS A 64 4.047 -6.446 3.542 1.00 0.20 O ATOM 1078 CB HIS A 64 4.511 -3.087 3.487 1.00 0.15 C ATOM 1079 CG HIS A 64 4.646 -3.438 4.939 1.00 0.37 C ATOM 1080 ND1 HIS A 64 3.691 -3.113 5.874 1.00 1.02 N ATOM 1081 CD2 HIS A 64 5.639 -4.053 5.619 1.00 1.02 C ATOM 1082 CE1 HIS A 64 4.089 -3.510 7.065 1.00 1.00 C ATOM 1083 NE2 HIS A 64 5.272 -4.086 6.941 1.00 0.96 N ATOM 0 H HIS A 64 3.579 -2.718 1.297 1.00 0.13 H new ATOM 0 HA HIS A 64 5.203 -4.721 2.226 1.00 0.11 H new ATOM 0 HB2 HIS A 64 5.420 -2.575 3.172 1.00 0.15 H new ATOM 0 HB3 HIS A 64 3.691 -2.376 3.380 1.00 0.15 H new ATOM 0 HD2 HIS A 64 6.553 -4.446 5.199 1.00 1.02 H new ATOM 0 HE1 HIS A 64 3.541 -3.386 7.987 1.00 1.00 H new ATOM 0 HE2 HIS A 64 5.821 -4.488 7.701 1.00 0.96 H new ATOM 1092 N ALA A 65 2.200 -5.188 3.487 1.00 0.14 N ATOM 1093 CA ALA A 65 1.396 -6.202 4.158 1.00 0.17 C ATOM 1094 C ALA A 65 0.689 -7.131 3.176 1.00 0.13 C ATOM 1095 O ALA A 65 0.704 -8.347 3.351 1.00 0.14 O ATOM 1096 CB ALA A 65 0.379 -5.548 5.080 1.00 0.25 C ATOM 0 H ALA A 65 1.698 -4.331 3.254 1.00 0.14 H new ATOM 0 HA ALA A 65 2.082 -6.812 4.746 1.00 0.17 H new ATOM 0 HB1 ALA A 65 -0.213 -6.319 5.573 1.00 0.25 H new ATOM 0 HB2 ALA A 65 0.899 -4.953 5.831 1.00 0.25 H new ATOM 0 HB3 ALA A 65 -0.278 -4.903 4.497 1.00 0.25 H new ATOM 1102 N ILE A 66 0.118 -6.543 2.130 1.00 0.13 N ATOM 1103 CA ILE A 66 -0.872 -7.209 1.268 1.00 0.12 C ATOM 1104 C ILE A 66 -0.439 -8.592 0.786 1.00 0.13 C ATOM 1105 O ILE A 66 -1.253 -9.505 0.687 1.00 0.21 O ATOM 1106 CB ILE A 66 -1.181 -6.380 0.009 1.00 0.13 C ATOM 1107 CG1 ILE A 66 -0.737 -4.924 0.162 1.00 0.14 C ATOM 1108 CG2 ILE A 66 -2.665 -6.458 -0.303 1.00 0.13 C ATOM 1109 CD1 ILE A 66 -1.494 -4.143 1.207 1.00 0.14 C ATOM 0 H ILE A 66 0.325 -5.585 1.848 1.00 0.13 H new ATOM 0 HA ILE A 66 -1.750 -7.309 1.906 1.00 0.12 H new ATOM 0 HB ILE A 66 -0.614 -6.801 -0.821 1.00 0.13 H new ATOM 0 HG12 ILE A 66 0.324 -4.906 0.411 1.00 0.14 H new ATOM 0 HG13 ILE A 66 -0.847 -4.421 -0.799 1.00 0.14 H new ATOM 0 HG21 ILE A 66 -2.881 -5.870 -1.195 1.00 0.13 H new ATOM 0 HG22 ILE A 66 -2.946 -7.497 -0.476 1.00 0.13 H new ATOM 0 HG23 ILE A 66 -3.235 -6.063 0.538 1.00 0.13 H new ATOM 0 HD11 ILE A 66 -1.112 -3.123 1.246 1.00 0.14 H new ATOM 0 HD12 ILE A 66 -2.553 -4.125 0.951 1.00 0.14 H new ATOM 0 HD13 ILE A 66 -1.364 -4.616 2.180 1.00 0.14 H new ATOM 1121 N LEU A 67 0.837 -8.724 0.462 1.00 0.12 N ATOM 1122 CA LEU A 67 1.362 -9.938 -0.164 1.00 0.14 C ATOM 1123 C LEU A 67 1.126 -11.163 0.707 1.00 0.16 C ATOM 1124 O LEU A 67 0.765 -12.231 0.218 1.00 0.21 O ATOM 1125 CB LEU A 67 2.859 -9.781 -0.409 1.00 0.15 C ATOM 1126 CG LEU A 67 3.280 -8.407 -0.915 1.00 0.14 C ATOM 1127 CD1 LEU A 67 4.769 -8.368 -1.171 1.00 0.16 C ATOM 1128 CD2 LEU A 67 2.499 -8.049 -2.165 1.00 0.16 C ATOM 0 H LEU A 67 1.538 -8.001 0.622 1.00 0.12 H new ATOM 0 HA LEU A 67 0.836 -10.081 -1.108 1.00 0.14 H new ATOM 0 HB2 LEU A 67 3.389 -9.989 0.520 1.00 0.15 H new ATOM 0 HB3 LEU A 67 3.176 -10.532 -1.132 1.00 0.15 H new ATOM 0 HG LEU A 67 3.055 -7.665 -0.149 1.00 0.14 H new ATOM 0 HD11 LEU A 67 5.050 -7.379 -1.532 1.00 0.16 H new ATOM 0 HD12 LEU A 67 5.303 -8.582 -0.245 1.00 0.16 H new ATOM 0 HD13 LEU A 67 5.029 -9.115 -1.921 1.00 0.16 H new ATOM 0 HD21 LEU A 67 2.808 -7.065 -2.518 1.00 0.16 H new ATOM 0 HD22 LEU A 67 2.694 -8.790 -2.940 1.00 0.16 H new ATOM 0 HD23 LEU A 67 1.433 -8.034 -1.936 1.00 0.16 H new ATOM 1140 N THR A 68 1.335 -10.994 1.994 1.00 0.15 N ATOM 1141 CA THR A 68 1.240 -12.096 2.931 1.00 0.18 C ATOM 1142 C THR A 68 0.014 -11.946 3.835 1.00 0.18 C ATOM 1143 O THR A 68 -0.440 -12.911 4.451 1.00 0.23 O ATOM 1144 CB THR A 68 2.533 -12.180 3.770 1.00 0.21 C ATOM 1145 OG1 THR A 68 2.430 -13.189 4.786 1.00 0.27 O ATOM 1146 CG2 THR A 68 2.843 -10.831 4.396 1.00 0.20 C ATOM 0 H THR A 68 1.574 -10.098 2.420 1.00 0.15 H new ATOM 0 HA THR A 68 1.122 -13.022 2.369 1.00 0.18 H new ATOM 0 HB THR A 68 3.349 -12.457 3.103 1.00 0.21 H new ATOM 0 HG1 THR A 68 3.263 -13.221 5.301 1.00 0.27 H new ATOM 0 HG21 THR A 68 3.757 -10.905 4.985 1.00 0.20 H new ATOM 0 HG22 THR A 68 2.976 -10.087 3.610 1.00 0.20 H new ATOM 0 HG23 THR A 68 2.018 -10.532 5.043 1.00 0.20 H new ATOM 1154 N ASP A 69 -0.522 -10.734 3.907 1.00 0.17 N ATOM 1155 CA ASP A 69 -1.693 -10.469 4.734 1.00 0.19 C ATOM 1156 C ASP A 69 -2.977 -10.718 3.951 1.00 0.17 C ATOM 1157 O ASP A 69 -3.274 -10.013 2.983 1.00 0.19 O ATOM 1158 CB ASP A 69 -1.682 -9.032 5.248 1.00 0.21 C ATOM 1159 CG ASP A 69 -2.643 -8.831 6.401 1.00 0.27 C ATOM 1160 OD1 ASP A 69 -3.865 -8.755 6.159 1.00 0.28 O ATOM 1161 OD2 ASP A 69 -2.175 -8.732 7.555 1.00 0.58 O ATOM 0 H ASP A 69 -0.166 -9.921 3.404 1.00 0.17 H new ATOM 0 HA ASP A 69 -1.657 -11.150 5.584 1.00 0.19 H new ATOM 0 HB2 ASP A 69 -0.673 -8.770 5.568 1.00 0.21 H new ATOM 0 HB3 ASP A 69 -1.945 -8.355 4.435 1.00 0.21 H new ATOM 1166 N ALA A 70 -3.739 -11.708 4.391 1.00 0.19 N ATOM 1167 CA ALA A 70 -4.977 -12.097 3.724 1.00 0.21 C ATOM 1168 C ALA A 70 -6.048 -11.028 3.856 1.00 0.18 C ATOM 1169 O ALA A 70 -6.930 -10.916 3.006 1.00 0.19 O ATOM 1170 CB ALA A 70 -5.484 -13.416 4.283 1.00 0.27 C ATOM 0 H ALA A 70 -3.520 -12.264 5.217 1.00 0.19 H new ATOM 0 HA ALA A 70 -4.756 -12.216 2.663 1.00 0.21 H new ATOM 0 HB1 ALA A 70 -6.408 -13.695 3.777 1.00 0.27 H new ATOM 0 HB2 ALA A 70 -4.735 -14.191 4.123 1.00 0.27 H new ATOM 0 HB3 ALA A 70 -5.673 -13.310 5.351 1.00 0.27 H new ATOM 1176 N THR A 71 -5.972 -10.242 4.913 1.00 0.17 N ATOM 1177 CA THR A 71 -6.933 -9.182 5.121 1.00 0.17 C ATOM 1178 C THR A 71 -6.677 -8.033 4.152 1.00 0.14 C ATOM 1179 O THR A 71 -7.586 -7.583 3.467 1.00 0.15 O ATOM 1180 CB THR A 71 -6.895 -8.661 6.563 1.00 0.20 C ATOM 1181 OG1 THR A 71 -7.169 -9.735 7.474 1.00 0.25 O ATOM 1182 CG2 THR A 71 -7.911 -7.551 6.756 1.00 0.21 C ATOM 0 H THR A 71 -5.257 -10.319 5.637 1.00 0.17 H new ATOM 0 HA THR A 71 -7.923 -9.598 4.935 1.00 0.17 H new ATOM 0 HB THR A 71 -5.901 -8.261 6.763 1.00 0.20 H new ATOM 0 HG1 THR A 71 -7.142 -9.398 8.394 1.00 0.25 H new ATOM 0 HG21 THR A 71 -7.869 -7.194 7.785 1.00 0.21 H new ATOM 0 HG22 THR A 71 -7.685 -6.729 6.077 1.00 0.21 H new ATOM 0 HG23 THR A 71 -8.910 -7.932 6.544 1.00 0.21 H new ATOM 1190 N LYS A 72 -5.438 -7.572 4.076 1.00 0.13 N ATOM 1191 CA LYS A 72 -5.091 -6.528 3.136 1.00 0.13 C ATOM 1192 C LYS A 72 -5.315 -7.006 1.711 1.00 0.12 C ATOM 1193 O LYS A 72 -5.744 -6.241 0.865 1.00 0.13 O ATOM 1194 CB LYS A 72 -3.647 -6.055 3.319 1.00 0.15 C ATOM 1195 CG LYS A 72 -3.456 -5.091 4.482 1.00 0.17 C ATOM 1196 CD LYS A 72 -3.549 -5.787 5.830 1.00 0.17 C ATOM 1197 CE LYS A 72 -3.521 -4.797 6.982 1.00 0.24 C ATOM 1198 NZ LYS A 72 -3.297 -5.465 8.291 1.00 0.71 N ATOM 0 H LYS A 72 -4.664 -7.904 4.651 1.00 0.13 H new ATOM 0 HA LYS A 72 -5.742 -5.677 3.333 1.00 0.13 H new ATOM 0 HB2 LYS A 72 -3.007 -6.924 3.471 1.00 0.15 H new ATOM 0 HB3 LYS A 72 -3.314 -5.571 2.401 1.00 0.15 H new ATOM 0 HG2 LYS A 72 -2.484 -4.606 4.393 1.00 0.17 H new ATOM 0 HG3 LYS A 72 -4.211 -4.306 4.428 1.00 0.17 H new ATOM 0 HD2 LYS A 72 -4.469 -6.370 5.875 1.00 0.17 H new ATOM 0 HD3 LYS A 72 -2.721 -6.489 5.934 1.00 0.17 H new ATOM 0 HE2 LYS A 72 -2.732 -4.064 6.810 1.00 0.24 H new ATOM 0 HE3 LYS A 72 -4.463 -4.250 7.012 1.00 0.24 H new ATOM 0 HZ1 LYS A 72 -3.285 -4.751 9.047 1.00 0.71 H new ATOM 0 HZ2 LYS A 72 -4.063 -6.146 8.469 1.00 0.71 H new ATOM 0 HZ3 LYS A 72 -2.386 -5.966 8.274 1.00 0.71 H new ATOM 1212 N ARG A 73 -5.052 -8.278 1.447 1.00 0.13 N ATOM 1213 CA ARG A 73 -5.290 -8.830 0.118 1.00 0.15 C ATOM 1214 C ARG A 73 -6.785 -8.872 -0.166 1.00 0.16 C ATOM 1215 O ARG A 73 -7.224 -8.794 -1.313 1.00 0.19 O ATOM 1216 CB ARG A 73 -4.697 -10.226 0.010 1.00 0.18 C ATOM 1217 CG ARG A 73 -4.361 -10.643 -1.410 1.00 0.38 C ATOM 1218 CD ARG A 73 -3.419 -9.650 -2.081 1.00 0.47 C ATOM 1219 NE ARG A 73 -3.041 -10.086 -3.425 1.00 0.49 N ATOM 1220 CZ ARG A 73 -1.959 -9.662 -4.074 1.00 0.88 C ATOM 1221 NH1 ARG A 73 -1.126 -8.806 -3.495 1.00 1.45 N ATOM 1222 NH2 ARG A 73 -1.698 -10.105 -5.297 1.00 0.97 N ATOM 0 H ARG A 73 -4.678 -8.942 2.125 1.00 0.13 H new ATOM 0 HA ARG A 73 -4.806 -8.190 -0.620 1.00 0.15 H new ATOM 0 HB2 ARG A 73 -3.792 -10.274 0.616 1.00 0.18 H new ATOM 0 HB3 ARG A 73 -5.401 -10.943 0.432 1.00 0.18 H new ATOM 0 HG2 ARG A 73 -3.901 -11.631 -1.400 1.00 0.38 H new ATOM 0 HG3 ARG A 73 -5.279 -10.724 -1.992 1.00 0.38 H new ATOM 0 HD2 ARG A 73 -3.900 -8.673 -2.137 1.00 0.47 H new ATOM 0 HD3 ARG A 73 -2.523 -9.530 -1.472 1.00 0.47 H new ATOM 0 HE ARG A 73 -3.646 -10.759 -3.896 1.00 0.49 H new ATOM 0 HH11 ARG A 73 -1.314 -8.471 -2.550 1.00 1.45 H new ATOM 0 HH12 ARG A 73 -0.298 -8.483 -3.995 1.00 1.45 H new ATOM 0 HH21 ARG A 73 -2.327 -10.773 -5.743 1.00 0.97 H new ATOM 0 HH22 ARG A 73 -0.868 -9.778 -5.792 1.00 0.97 H new ATOM 1236 N ASN A 74 -7.555 -8.980 0.902 1.00 0.16 N ATOM 1237 CA ASN A 74 -9.003 -8.941 0.824 1.00 0.18 C ATOM 1238 C ASN A 74 -9.474 -7.547 0.447 1.00 0.17 C ATOM 1239 O ASN A 74 -10.441 -7.386 -0.300 1.00 0.23 O ATOM 1240 CB ASN A 74 -9.598 -9.361 2.166 1.00 0.21 C ATOM 1241 CG ASN A 74 -10.323 -10.680 2.111 1.00 0.31 C ATOM 1242 OD1 ASN A 74 -11.505 -10.743 1.770 1.00 0.57 O ATOM 1243 ND2 ASN A 74 -9.630 -11.737 2.473 1.00 0.43 N ATOM 0 H ASN A 74 -7.193 -9.097 1.848 1.00 0.16 H new ATOM 0 HA ASN A 74 -9.339 -9.634 0.053 1.00 0.18 H new ATOM 0 HB2 ASN A 74 -8.800 -9.424 2.905 1.00 0.21 H new ATOM 0 HB3 ASN A 74 -10.288 -8.589 2.507 1.00 0.21 H new ATOM 0 HD21 ASN A 74 -10.070 -12.657 2.479 1.00 0.43 H new ATOM 0 HD22 ASN A 74 -8.653 -11.637 2.748 1.00 0.43 H new ATOM 1250 N ILE A 75 -8.782 -6.543 0.963 1.00 0.13 N ATOM 1251 CA ILE A 75 -9.060 -5.161 0.605 1.00 0.13 C ATOM 1252 C ILE A 75 -8.479 -4.855 -0.769 1.00 0.14 C ATOM 1253 O ILE A 75 -9.090 -4.150 -1.552 1.00 0.15 O ATOM 1254 CB ILE A 75 -8.515 -4.157 1.666 1.00 0.14 C ATOM 1255 CG1 ILE A 75 -9.450 -4.085 2.879 1.00 0.18 C ATOM 1256 CG2 ILE A 75 -8.327 -2.755 1.079 1.00 0.17 C ATOM 1257 CD1 ILE A 75 -9.519 -5.356 3.698 1.00 0.20 C ATOM 0 H ILE A 75 -8.022 -6.660 1.633 1.00 0.13 H new ATOM 0 HA ILE A 75 -10.143 -5.037 0.576 1.00 0.13 H new ATOM 0 HB ILE A 75 -7.540 -4.528 1.984 1.00 0.14 H new ATOM 0 HG12 ILE A 75 -9.124 -3.270 3.525 1.00 0.18 H new ATOM 0 HG13 ILE A 75 -10.453 -3.836 2.533 1.00 0.18 H new ATOM 0 HG21 ILE A 75 -7.946 -2.086 1.850 1.00 0.17 H new ATOM 0 HG22 ILE A 75 -7.617 -2.799 0.253 1.00 0.17 H new ATOM 0 HG23 ILE A 75 -9.284 -2.382 0.715 1.00 0.17 H new ATOM 0 HD11 ILE A 75 -10.203 -5.213 4.534 1.00 0.20 H new ATOM 0 HD12 ILE A 75 -9.877 -6.173 3.072 1.00 0.20 H new ATOM 0 HD13 ILE A 75 -8.527 -5.598 4.078 1.00 0.20 H new ATOM 1269 N TYR A 76 -7.318 -5.439 -1.055 1.00 0.15 N ATOM 1270 CA TYR A 76 -6.619 -5.268 -2.331 1.00 0.18 C ATOM 1271 C TYR A 76 -7.557 -5.392 -3.533 1.00 0.19 C ATOM 1272 O TYR A 76 -7.506 -4.579 -4.458 1.00 0.26 O ATOM 1273 CB TYR A 76 -5.484 -6.302 -2.422 1.00 0.21 C ATOM 1274 CG TYR A 76 -5.177 -6.799 -3.821 1.00 0.22 C ATOM 1275 CD1 TYR A 76 -4.379 -6.048 -4.679 1.00 0.36 C ATOM 1276 CD2 TYR A 76 -5.687 -8.000 -4.288 1.00 0.28 C ATOM 1277 CE1 TYR A 76 -4.097 -6.483 -5.956 1.00 0.44 C ATOM 1278 CE2 TYR A 76 -5.409 -8.441 -5.568 1.00 0.36 C ATOM 1279 CZ TYR A 76 -4.613 -7.738 -6.375 1.00 0.41 C ATOM 1280 OH TYR A 76 -4.339 -8.115 -7.672 1.00 0.52 O ATOM 0 H TYR A 76 -6.829 -6.051 -0.402 1.00 0.15 H new ATOM 0 HA TYR A 76 -6.210 -4.258 -2.361 1.00 0.18 H new ATOM 0 HB2 TYR A 76 -4.579 -5.863 -2.003 1.00 0.21 H new ATOM 0 HB3 TYR A 76 -5.742 -7.158 -1.798 1.00 0.21 H new ATOM 0 HD1 TYR A 76 -3.973 -5.107 -4.338 1.00 0.36 H new ATOM 0 HD2 TYR A 76 -6.311 -8.600 -3.642 1.00 0.28 H new ATOM 0 HE1 TYR A 76 -3.497 -5.883 -6.623 1.00 0.44 H new ATOM 0 HE2 TYR A 76 -5.842 -9.366 -5.919 1.00 0.36 H new ATOM 0 HH TYR A 76 -4.740 -8.991 -7.850 1.00 0.52 H new ATOM 1290 N ASP A 77 -8.411 -6.405 -3.514 1.00 0.18 N ATOM 1291 CA ASP A 77 -9.320 -6.652 -4.635 1.00 0.22 C ATOM 1292 C ASP A 77 -10.409 -5.577 -4.739 1.00 0.22 C ATOM 1293 O ASP A 77 -11.073 -5.449 -5.767 1.00 0.30 O ATOM 1294 CB ASP A 77 -9.963 -8.033 -4.504 1.00 0.31 C ATOM 1295 CG ASP A 77 -10.812 -8.389 -5.708 1.00 1.00 C ATOM 1296 OD1 ASP A 77 -10.239 -8.682 -6.778 1.00 1.21 O ATOM 1297 OD2 ASP A 77 -12.056 -8.368 -5.595 1.00 1.74 O ATOM 0 H ASP A 77 -8.497 -7.067 -2.743 1.00 0.18 H new ATOM 0 HA ASP A 77 -8.726 -6.613 -5.548 1.00 0.22 H new ATOM 0 HB2 ASP A 77 -9.183 -8.784 -4.377 1.00 0.31 H new ATOM 0 HB3 ASP A 77 -10.580 -8.060 -3.606 1.00 0.31 H new ATOM 1302 N LYS A 78 -10.570 -4.789 -3.690 1.00 0.20 N ATOM 1303 CA LYS A 78 -11.626 -3.795 -3.631 1.00 0.21 C ATOM 1304 C LYS A 78 -11.010 -2.411 -3.706 1.00 0.20 C ATOM 1305 O LYS A 78 -11.311 -1.623 -4.602 1.00 0.24 O ATOM 1306 CB LYS A 78 -12.414 -3.969 -2.332 1.00 0.22 C ATOM 1307 CG LYS A 78 -13.056 -5.341 -2.206 1.00 0.29 C ATOM 1308 CD LYS A 78 -13.583 -5.596 -0.805 1.00 0.33 C ATOM 1309 CE LYS A 78 -14.242 -6.962 -0.709 1.00 1.31 C ATOM 1310 NZ LYS A 78 -14.692 -7.274 0.671 1.00 1.92 N ATOM 0 H LYS A 78 -9.977 -4.820 -2.861 1.00 0.20 H new ATOM 0 HA LYS A 78 -12.310 -3.921 -4.471 1.00 0.21 H new ATOM 0 HB2 LYS A 78 -11.748 -3.807 -1.485 1.00 0.22 H new ATOM 0 HB3 LYS A 78 -13.189 -3.205 -2.279 1.00 0.22 H new ATOM 0 HG2 LYS A 78 -13.874 -5.426 -2.922 1.00 0.29 H new ATOM 0 HG3 LYS A 78 -12.326 -6.108 -2.464 1.00 0.29 H new ATOM 0 HD2 LYS A 78 -12.764 -5.532 -0.088 1.00 0.33 H new ATOM 0 HD3 LYS A 78 -14.302 -4.822 -0.537 1.00 0.33 H new ATOM 0 HE2 LYS A 78 -15.097 -6.999 -1.385 1.00 1.31 H new ATOM 0 HE3 LYS A 78 -13.539 -7.726 -1.041 1.00 1.31 H new ATOM 0 HZ1 LYS A 78 -15.135 -8.215 0.687 1.00 1.92 H new ATOM 0 HZ2 LYS A 78 -13.874 -7.265 1.313 1.00 1.92 H new ATOM 0 HZ3 LYS A 78 -15.383 -6.561 0.980 1.00 1.92 H new ATOM 1324 N TYR A 79 -10.138 -2.139 -2.755 1.00 0.18 N ATOM 1325 CA TYR A 79 -9.352 -0.928 -2.729 1.00 0.19 C ATOM 1326 C TYR A 79 -7.892 -1.268 -2.978 1.00 0.21 C ATOM 1327 O TYR A 79 -7.293 -2.025 -2.218 1.00 0.30 O ATOM 1328 CB TYR A 79 -9.496 -0.232 -1.380 1.00 0.23 C ATOM 1329 CG TYR A 79 -10.885 0.288 -1.105 1.00 0.34 C ATOM 1330 CD1 TYR A 79 -11.872 -0.542 -0.590 1.00 0.50 C ATOM 1331 CD2 TYR A 79 -11.205 1.614 -1.354 1.00 0.60 C ATOM 1332 CE1 TYR A 79 -13.140 -0.063 -0.332 1.00 0.65 C ATOM 1333 CE2 TYR A 79 -12.470 2.100 -1.100 1.00 0.75 C ATOM 1334 CZ TYR A 79 -13.434 1.258 -0.588 1.00 0.72 C ATOM 1335 OH TYR A 79 -14.695 1.743 -0.327 1.00 0.88 O ATOM 0 H TYR A 79 -9.955 -2.763 -1.969 1.00 0.18 H new ATOM 0 HA TYR A 79 -9.709 -0.256 -3.509 1.00 0.19 H new ATOM 0 HB2 TYR A 79 -9.217 -0.930 -0.591 1.00 0.23 H new ATOM 0 HB3 TYR A 79 -8.792 0.599 -1.334 1.00 0.23 H new ATOM 0 HD1 TYR A 79 -11.644 -1.578 -0.388 1.00 0.50 H new ATOM 0 HD2 TYR A 79 -10.451 2.277 -1.753 1.00 0.60 H new ATOM 0 HE1 TYR A 79 -13.898 -0.720 0.068 1.00 0.65 H new ATOM 0 HE2 TYR A 79 -12.704 3.135 -1.301 1.00 0.75 H new ATOM 0 HH TYR A 79 -15.294 0.998 -0.113 1.00 0.88 H new ATOM 1345 N GLY A 80 -7.331 -0.738 -4.055 1.00 0.20 N ATOM 1346 CA GLY A 80 -5.915 -0.893 -4.309 1.00 0.25 C ATOM 1347 C GLY A 80 -5.075 -0.105 -3.328 1.00 0.20 C ATOM 1348 O GLY A 80 -5.234 -0.225 -2.117 1.00 0.22 O ATOM 0 H GLY A 80 -7.835 -0.201 -4.760 1.00 0.20 H new ATOM 0 HA2 GLY A 80 -5.649 -1.948 -4.249 1.00 0.25 H new ATOM 0 HA3 GLY A 80 -5.690 -0.565 -5.324 1.00 0.25 H new ATOM 1352 N SER A 81 -4.217 0.742 -3.858 1.00 0.23 N ATOM 1353 CA SER A 81 -3.269 1.491 -3.054 1.00 0.25 C ATOM 1354 C SER A 81 -3.941 2.340 -1.968 1.00 0.23 C ATOM 1355 O SER A 81 -3.380 2.498 -0.905 1.00 0.25 O ATOM 1356 CB SER A 81 -2.428 2.374 -3.972 1.00 0.34 C ATOM 1357 OG SER A 81 -1.928 1.625 -5.067 1.00 0.41 O ATOM 0 H SER A 81 -4.156 0.932 -4.858 1.00 0.23 H new ATOM 0 HA SER A 81 -2.638 0.772 -2.532 1.00 0.25 H new ATOM 0 HB2 SER A 81 -3.031 3.205 -4.338 1.00 0.34 H new ATOM 0 HB3 SER A 81 -1.599 2.805 -3.411 1.00 0.34 H new ATOM 0 HG SER A 81 -2.001 2.156 -5.887 1.00 0.41 H new ATOM 1363 N LEU A 82 -5.124 2.901 -2.217 1.00 0.23 N ATOM 1364 CA LEU A 82 -5.756 3.749 -1.200 1.00 0.25 C ATOM 1365 C LEU A 82 -6.166 2.961 0.020 1.00 0.22 C ATOM 1366 O LEU A 82 -5.632 3.181 1.104 1.00 0.23 O ATOM 1367 CB LEU A 82 -6.976 4.505 -1.717 1.00 0.29 C ATOM 1368 CG LEU A 82 -7.691 5.313 -0.627 1.00 0.42 C ATOM 1369 CD1 LEU A 82 -6.722 6.267 0.029 1.00 0.62 C ATOM 1370 CD2 LEU A 82 -8.868 6.085 -1.184 1.00 0.69 C ATOM 0 H LEU A 82 -5.652 2.791 -3.083 1.00 0.23 H new ATOM 0 HA LEU A 82 -4.988 4.474 -0.932 1.00 0.25 H new ATOM 0 HB2 LEU A 82 -6.666 5.179 -2.516 1.00 0.29 H new ATOM 0 HB3 LEU A 82 -7.678 3.794 -2.153 1.00 0.29 H new ATOM 0 HG LEU A 82 -8.070 4.607 0.112 1.00 0.42 H new ATOM 0 HD11 LEU A 82 -7.239 6.836 0.802 1.00 0.62 H new ATOM 0 HD12 LEU A 82 -5.905 5.703 0.479 1.00 0.62 H new ATOM 0 HD13 LEU A 82 -6.322 6.951 -0.719 1.00 0.62 H new ATOM 0 HD21 LEU A 82 -9.349 6.645 -0.382 1.00 0.69 H new ATOM 0 HD22 LEU A 82 -8.519 6.777 -1.951 1.00 0.69 H new ATOM 0 HD23 LEU A 82 -9.585 5.390 -1.621 1.00 0.69 H new ATOM 1382 N GLY A 83 -7.125 2.058 -0.155 1.00 0.23 N ATOM 1383 CA GLY A 83 -7.643 1.317 0.959 1.00 0.23 C ATOM 1384 C GLY A 83 -6.545 0.610 1.694 1.00 0.21 C ATOM 1385 O GLY A 83 -6.571 0.515 2.908 1.00 0.23 O ATOM 0 H GLY A 83 -7.548 1.832 -1.055 1.00 0.23 H new ATOM 0 HA2 GLY A 83 -8.164 1.992 1.638 1.00 0.23 H new ATOM 0 HA3 GLY A 83 -8.376 0.591 0.608 1.00 0.23 H new ATOM 1389 N LEU A 84 -5.547 0.176 0.953 1.00 0.20 N ATOM 1390 CA LEU A 84 -4.422 -0.525 1.534 1.00 0.20 C ATOM 1391 C LEU A 84 -3.449 0.435 2.211 1.00 0.21 C ATOM 1392 O LEU A 84 -2.966 0.146 3.294 1.00 0.23 O ATOM 1393 CB LEU A 84 -3.721 -1.338 0.465 1.00 0.20 C ATOM 1394 CG LEU A 84 -4.555 -2.463 -0.122 1.00 0.25 C ATOM 1395 CD1 LEU A 84 -3.783 -3.176 -1.217 1.00 0.24 C ATOM 1396 CD2 LEU A 84 -4.962 -3.425 0.977 1.00 0.30 C ATOM 0 H LEU A 84 -5.492 0.297 -0.058 1.00 0.20 H new ATOM 0 HA LEU A 84 -4.798 -1.197 2.306 1.00 0.20 H new ATOM 0 HB2 LEU A 84 -3.418 -0.670 -0.341 1.00 0.20 H new ATOM 0 HB3 LEU A 84 -2.810 -1.761 0.888 1.00 0.20 H new ATOM 0 HG LEU A 84 -5.458 -2.047 -0.568 1.00 0.25 H new ATOM 0 HD11 LEU A 84 -4.394 -3.980 -1.628 1.00 0.24 H new ATOM 0 HD12 LEU A 84 -3.535 -2.468 -2.008 1.00 0.24 H new ATOM 0 HD13 LEU A 84 -2.865 -3.593 -0.803 1.00 0.24 H new ATOM 0 HD21 LEU A 84 -5.560 -4.231 0.552 1.00 0.30 H new ATOM 0 HD22 LEU A 84 -4.070 -3.843 1.444 1.00 0.30 H new ATOM 0 HD23 LEU A 84 -5.549 -2.894 1.727 1.00 0.30 H new ATOM 1408 N TYR A 85 -3.177 1.581 1.589 1.00 0.21 N ATOM 1409 CA TYR A 85 -2.294 2.590 2.177 1.00 0.23 C ATOM 1410 C TYR A 85 -2.708 2.893 3.607 1.00 0.24 C ATOM 1411 O TYR A 85 -1.871 3.069 4.490 1.00 0.26 O ATOM 1412 CB TYR A 85 -2.318 3.866 1.310 1.00 0.25 C ATOM 1413 CG TYR A 85 -2.503 5.167 2.065 1.00 0.29 C ATOM 1414 CD1 TYR A 85 -3.772 5.658 2.339 1.00 0.28 C ATOM 1415 CD2 TYR A 85 -1.403 5.894 2.514 1.00 0.38 C ATOM 1416 CE1 TYR A 85 -3.944 6.836 3.037 1.00 0.37 C ATOM 1417 CE2 TYR A 85 -1.568 7.075 3.209 1.00 0.45 C ATOM 1418 CZ TYR A 85 -2.845 7.563 3.429 1.00 0.44 C ATOM 1419 OH TYR A 85 -3.013 8.719 4.162 1.00 0.52 O ATOM 0 H TYR A 85 -3.555 1.835 0.677 1.00 0.21 H new ATOM 0 HA TYR A 85 -1.275 2.204 2.203 1.00 0.23 H new ATOM 0 HB2 TYR A 85 -1.384 3.921 0.750 1.00 0.25 H new ATOM 0 HB3 TYR A 85 -3.122 3.773 0.580 1.00 0.25 H new ATOM 0 HD1 TYR A 85 -4.639 5.109 2.001 1.00 0.28 H new ATOM 0 HD2 TYR A 85 -0.406 5.528 2.315 1.00 0.38 H new ATOM 0 HE1 TYR A 85 -4.938 7.185 3.274 1.00 0.37 H new ATOM 0 HE2 TYR A 85 -0.708 7.614 3.578 1.00 0.45 H new ATOM 0 HH TYR A 85 -2.137 9.112 4.359 1.00 0.52 H new ATOM 1429 N VAL A 86 -4.006 2.952 3.821 1.00 0.23 N ATOM 1430 CA VAL A 86 -4.541 3.232 5.132 1.00 0.25 C ATOM 1431 C VAL A 86 -4.803 1.944 5.943 1.00 0.24 C ATOM 1432 O VAL A 86 -4.442 1.868 7.120 1.00 0.27 O ATOM 1433 CB VAL A 86 -5.805 4.118 5.012 1.00 0.28 C ATOM 1434 CG1 VAL A 86 -6.716 3.627 3.902 1.00 0.26 C ATOM 1435 CG2 VAL A 86 -6.560 4.185 6.317 1.00 0.32 C ATOM 0 H VAL A 86 -4.711 2.809 3.098 1.00 0.23 H new ATOM 0 HA VAL A 86 -3.790 3.788 5.694 1.00 0.25 H new ATOM 0 HB VAL A 86 -5.469 5.125 4.763 1.00 0.28 H new ATOM 0 HG11 VAL A 86 -7.595 4.269 3.842 1.00 0.26 H new ATOM 0 HG12 VAL A 86 -6.181 3.655 2.953 1.00 0.26 H new ATOM 0 HG13 VAL A 86 -7.028 2.604 4.113 1.00 0.26 H new ATOM 0 HG21 VAL A 86 -7.441 4.815 6.196 1.00 0.32 H new ATOM 0 HG22 VAL A 86 -6.869 3.182 6.610 1.00 0.32 H new ATOM 0 HG23 VAL A 86 -5.916 4.606 7.089 1.00 0.32 H new ATOM 1445 N ALA A 87 -5.405 0.925 5.325 1.00 0.23 N ATOM 1446 CA ALA A 87 -5.709 -0.321 6.024 1.00 0.24 C ATOM 1447 C ALA A 87 -4.467 -1.124 6.391 1.00 0.22 C ATOM 1448 O ALA A 87 -4.429 -1.760 7.441 1.00 0.24 O ATOM 1449 CB ALA A 87 -6.625 -1.186 5.190 1.00 0.25 C ATOM 0 H ALA A 87 -5.690 0.940 4.346 1.00 0.23 H new ATOM 0 HA ALA A 87 -6.200 -0.031 6.953 1.00 0.24 H new ATOM 0 HB1 ALA A 87 -6.841 -2.110 5.726 1.00 0.25 H new ATOM 0 HB2 ALA A 87 -7.556 -0.652 4.999 1.00 0.25 H new ATOM 0 HB3 ALA A 87 -6.140 -1.421 4.242 1.00 0.25 H new ATOM 1455 N GLU A 88 -3.463 -1.122 5.532 1.00 0.20 N ATOM 1456 CA GLU A 88 -2.284 -1.940 5.767 1.00 0.21 C ATOM 1457 C GLU A 88 -1.419 -1.301 6.847 1.00 0.20 C ATOM 1458 O GLU A 88 -0.787 -1.993 7.650 1.00 0.25 O ATOM 1459 CB GLU A 88 -1.512 -2.160 4.446 1.00 0.21 C ATOM 1460 CG GLU A 88 -0.311 -1.250 4.230 1.00 0.25 C ATOM 1461 CD GLU A 88 0.977 -1.854 4.758 1.00 0.86 C ATOM 1462 OE1 GLU A 88 1.547 -2.753 4.108 1.00 1.28 O ATOM 1463 OE2 GLU A 88 1.436 -1.423 5.827 1.00 1.24 O ATOM 0 H GLU A 88 -3.438 -0.570 4.674 1.00 0.20 H new ATOM 0 HA GLU A 88 -2.584 -2.924 6.128 1.00 0.21 H new ATOM 0 HB2 GLU A 88 -1.172 -3.195 4.412 1.00 0.21 H new ATOM 0 HB3 GLU A 88 -2.203 -2.024 3.614 1.00 0.21 H new ATOM 0 HG2 GLU A 88 -0.202 -1.044 3.165 1.00 0.25 H new ATOM 0 HG3 GLU A 88 -0.490 -0.295 4.723 1.00 0.25 H new ATOM 1470 N GLN A 89 -1.446 0.022 6.889 1.00 0.22 N ATOM 1471 CA GLN A 89 -0.629 0.783 7.815 1.00 0.24 C ATOM 1472 C GLN A 89 -1.317 0.967 9.165 1.00 0.29 C ATOM 1473 O GLN A 89 -0.678 0.861 10.215 1.00 0.36 O ATOM 1474 CB GLN A 89 -0.293 2.141 7.202 1.00 0.25 C ATOM 1475 CG GLN A 89 0.715 2.052 6.074 1.00 0.27 C ATOM 1476 CD GLN A 89 2.111 1.717 6.567 1.00 0.32 C ATOM 1477 OE1 GLN A 89 2.507 2.108 7.667 1.00 0.35 O ATOM 1478 NE2 GLN A 89 2.862 0.975 5.767 1.00 0.38 N ATOM 0 H GLN A 89 -2.034 0.595 6.283 1.00 0.22 H new ATOM 0 HA GLN A 89 0.288 0.223 7.994 1.00 0.24 H new ATOM 0 HB2 GLN A 89 -1.208 2.600 6.828 1.00 0.25 H new ATOM 0 HB3 GLN A 89 0.098 2.797 7.980 1.00 0.25 H new ATOM 0 HG2 GLN A 89 0.393 1.292 5.362 1.00 0.27 H new ATOM 0 HG3 GLN A 89 0.740 3.001 5.538 1.00 0.27 H new ATOM 0 HE21 GLN A 89 2.499 0.671 4.864 1.00 0.38 H new ATOM 0 HE22 GLN A 89 3.804 0.708 6.054 1.00 0.38 H new ATOM 1487 N PHE A 90 -2.617 1.234 9.147 1.00 0.29 N ATOM 1488 CA PHE A 90 -3.335 1.515 10.384 1.00 0.34 C ATOM 1489 C PHE A 90 -4.444 0.502 10.632 1.00 0.37 C ATOM 1490 O PHE A 90 -4.644 0.059 11.762 1.00 0.43 O ATOM 1491 CB PHE A 90 -3.923 2.924 10.355 1.00 0.37 C ATOM 1492 CG PHE A 90 -2.911 3.999 10.076 1.00 0.42 C ATOM 1493 CD1 PHE A 90 -1.972 4.344 11.035 1.00 0.55 C ATOM 1494 CD2 PHE A 90 -2.902 4.666 8.863 1.00 0.43 C ATOM 1495 CE1 PHE A 90 -1.043 5.335 10.789 1.00 0.64 C ATOM 1496 CE2 PHE A 90 -1.974 5.657 8.611 1.00 0.53 C ATOM 1497 CZ PHE A 90 -1.039 5.980 9.547 1.00 0.62 C ATOM 0 H PHE A 90 -3.189 1.262 8.303 1.00 0.29 H new ATOM 0 HA PHE A 90 -2.616 1.440 11.200 1.00 0.34 H new ATOM 0 HB2 PHE A 90 -4.703 2.966 9.595 1.00 0.37 H new ATOM 0 HB3 PHE A 90 -4.401 3.128 11.313 1.00 0.37 H new ATOM 0 HD1 PHE A 90 -1.967 3.832 11.986 1.00 0.55 H new ATOM 0 HD2 PHE A 90 -3.628 4.409 8.106 1.00 0.43 H new ATOM 0 HE1 PHE A 90 -0.326 5.610 11.548 1.00 0.64 H new ATOM 0 HE2 PHE A 90 -1.990 6.179 7.666 1.00 0.53 H new ATOM 0 HZ PHE A 90 -0.295 6.733 9.331 1.00 0.62 H new ATOM 1507 N GLY A 91 -5.172 0.135 9.589 1.00 0.36 N ATOM 1508 CA GLY A 91 -6.187 -0.885 9.739 1.00 0.41 C ATOM 1509 C GLY A 91 -7.516 -0.507 9.124 1.00 0.43 C ATOM 1510 O GLY A 91 -8.137 0.485 9.509 1.00 0.51 O ATOM 0 H GLY A 91 -5.080 0.521 8.649 1.00 0.36 H new ATOM 0 HA2 GLY A 91 -5.833 -1.809 9.281 1.00 0.41 H new ATOM 0 HA3 GLY A 91 -6.331 -1.090 10.800 1.00 0.41 H new ATOM 1514 N GLU A 92 -7.963 -1.344 8.203 1.00 0.43 N ATOM 1515 CA GLU A 92 -9.232 -1.174 7.493 1.00 0.47 C ATOM 1516 C GLU A 92 -10.411 -1.170 8.471 1.00 0.54 C ATOM 1517 O GLU A 92 -11.520 -0.762 8.134 1.00 0.63 O ATOM 1518 CB GLU A 92 -9.329 -2.308 6.468 1.00 0.50 C ATOM 1519 CG GLU A 92 -10.604 -2.379 5.659 1.00 0.92 C ATOM 1520 CD GLU A 92 -10.914 -1.163 4.815 1.00 1.83 C ATOM 1521 OE1 GLU A 92 -10.191 -0.910 3.833 1.00 2.69 O ATOM 1522 OE2 GLU A 92 -11.938 -0.499 5.088 1.00 2.23 O ATOM 0 H GLU A 92 -7.449 -2.178 7.918 1.00 0.43 H new ATOM 0 HA GLU A 92 -9.270 -0.212 6.981 1.00 0.47 H new ATOM 0 HB2 GLU A 92 -8.491 -2.216 5.777 1.00 0.50 H new ATOM 0 HB3 GLU A 92 -9.206 -3.255 6.994 1.00 0.50 H new ATOM 0 HG2 GLU A 92 -10.549 -3.249 5.004 1.00 0.92 H new ATOM 0 HG3 GLU A 92 -11.437 -2.546 6.342 1.00 0.92 H new ATOM 1529 N GLU A 93 -10.147 -1.593 9.696 1.00 0.57 N ATOM 1530 CA GLU A 93 -11.156 -1.617 10.741 1.00 0.66 C ATOM 1531 C GLU A 93 -11.365 -0.236 11.378 1.00 0.68 C ATOM 1532 O GLU A 93 -12.500 0.187 11.585 1.00 0.79 O ATOM 1533 CB GLU A 93 -10.752 -2.630 11.816 1.00 0.70 C ATOM 1534 CG GLU A 93 -9.364 -2.385 12.388 1.00 0.68 C ATOM 1535 CD GLU A 93 -8.946 -3.430 13.397 1.00 1.00 C ATOM 1536 OE1 GLU A 93 -8.500 -4.518 12.978 1.00 1.19 O ATOM 1537 OE2 GLU A 93 -9.079 -3.174 14.612 1.00 1.33 O ATOM 0 H GLU A 93 -9.231 -1.928 9.993 1.00 0.57 H new ATOM 0 HA GLU A 93 -12.101 -1.910 10.284 1.00 0.66 H new ATOM 0 HB2 GLU A 93 -11.481 -2.599 12.626 1.00 0.70 H new ATOM 0 HB3 GLU A 93 -10.790 -3.633 11.391 1.00 0.70 H new ATOM 0 HG2 GLU A 93 -8.640 -2.365 11.573 1.00 0.68 H new ATOM 0 HG3 GLU A 93 -9.340 -1.403 12.860 1.00 0.68 H new ATOM 1544 N ASN A 94 -10.274 0.476 11.665 1.00 0.61 N ATOM 1545 CA ASN A 94 -10.355 1.664 12.516 1.00 0.64 C ATOM 1546 C ASN A 94 -10.338 2.974 11.729 1.00 0.65 C ATOM 1547 O ASN A 94 -11.184 3.838 11.937 1.00 0.81 O ATOM 1548 CB ASN A 94 -9.238 1.655 13.576 1.00 0.63 C ATOM 1549 CG ASN A 94 -7.834 1.752 12.998 1.00 0.78 C ATOM 1550 OD1 ASN A 94 -7.278 2.837 12.863 1.00 1.65 O ATOM 1551 ND2 ASN A 94 -7.244 0.615 12.671 1.00 0.70 N ATOM 0 H ASN A 94 -9.337 0.255 11.327 1.00 0.61 H new ATOM 0 HA ASN A 94 -11.323 1.616 13.015 1.00 0.64 H new ATOM 0 HB2 ASN A 94 -9.396 2.487 14.262 1.00 0.63 H new ATOM 0 HB3 ASN A 94 -9.316 0.740 14.163 1.00 0.63 H new ATOM 0 HD21 ASN A 94 -6.297 0.622 12.293 1.00 0.70 H new ATOM 0 HD22 ASN A 94 -7.736 -0.270 12.797 1.00 0.70 H new ATOM 1558 N VAL A 95 -9.387 3.124 10.831 1.00 0.54 N ATOM 1559 CA VAL A 95 -9.204 4.386 10.117 1.00 0.58 C ATOM 1560 C VAL A 95 -10.058 4.453 8.865 1.00 0.62 C ATOM 1561 O VAL A 95 -10.577 5.505 8.504 1.00 0.76 O ATOM 1562 CB VAL A 95 -7.736 4.584 9.719 1.00 0.57 C ATOM 1563 CG1 VAL A 95 -6.943 5.203 10.858 1.00 0.69 C ATOM 1564 CG2 VAL A 95 -7.144 3.247 9.316 1.00 0.49 C ATOM 0 H VAL A 95 -8.725 2.392 10.573 1.00 0.54 H new ATOM 0 HA VAL A 95 -9.512 5.177 10.800 1.00 0.58 H new ATOM 0 HB VAL A 95 -7.685 5.270 8.874 1.00 0.57 H new ATOM 0 HG11 VAL A 95 -5.905 5.333 10.550 1.00 0.69 H new ATOM 0 HG12 VAL A 95 -7.370 6.173 11.114 1.00 0.69 H new ATOM 0 HG13 VAL A 95 -6.984 4.548 11.728 1.00 0.69 H new ATOM 0 HG21 VAL A 95 -6.100 3.382 9.032 1.00 0.49 H new ATOM 0 HG22 VAL A 95 -7.205 2.554 10.155 1.00 0.49 H new ATOM 0 HG23 VAL A 95 -7.701 2.843 8.471 1.00 0.49 H new ATOM 1574 N ASN A 96 -10.214 3.316 8.215 1.00 0.57 N ATOM 1575 CA ASN A 96 -10.961 3.240 6.972 1.00 0.68 C ATOM 1576 C ASN A 96 -12.442 3.445 7.221 1.00 0.85 C ATOM 1577 O ASN A 96 -13.181 3.866 6.332 1.00 1.03 O ATOM 1578 CB ASN A 96 -10.727 1.891 6.321 1.00 0.69 C ATOM 1579 CG ASN A 96 -9.405 1.813 5.586 1.00 0.97 C ATOM 1580 OD1 ASN A 96 -8.365 1.557 6.191 1.00 1.85 O ATOM 1581 ND2 ASN A 96 -9.442 2.003 4.276 1.00 0.66 N ATOM 0 H ASN A 96 -9.830 2.425 8.529 1.00 0.57 H new ATOM 0 HA ASN A 96 -10.614 4.031 6.307 1.00 0.68 H new ATOM 0 HB2 ASN A 96 -10.759 1.114 7.085 1.00 0.69 H new ATOM 0 HB3 ASN A 96 -11.538 1.685 5.623 1.00 0.69 H new ATOM 0 HD21 ASN A 96 -8.585 1.939 3.727 1.00 0.66 H new ATOM 0 HD22 ASN A 96 -10.328 2.213 3.816 1.00 0.66 H new ATOM 1588 N THR A 97 -12.868 3.166 8.443 1.00 0.85 N ATOM 1589 CA THR A 97 -14.257 3.338 8.810 1.00 1.05 C ATOM 1590 C THR A 97 -14.561 4.825 9.025 1.00 1.15 C ATOM 1591 O THR A 97 -15.718 5.228 9.157 1.00 1.33 O ATOM 1592 CB THR A 97 -14.613 2.521 10.074 1.00 1.09 C ATOM 1593 OG1 THR A 97 -16.033 2.347 10.168 1.00 1.33 O ATOM 1594 CG2 THR A 97 -14.111 3.200 11.338 1.00 1.08 C ATOM 0 H THR A 97 -12.270 2.820 9.193 1.00 0.85 H new ATOM 0 HA THR A 97 -14.874 2.963 7.993 1.00 1.05 H new ATOM 0 HB THR A 97 -14.124 1.551 9.983 1.00 1.09 H new ATOM 0 HG1 THR A 97 -16.481 3.188 9.939 1.00 1.33 H new ATOM 0 HG21 THR A 97 -14.379 2.597 12.206 1.00 1.08 H new ATOM 0 HG22 THR A 97 -13.027 3.304 11.289 1.00 1.08 H new ATOM 0 HG23 THR A 97 -14.566 4.186 11.426 1.00 1.08 H new ATOM 1602 N TYR A 98 -13.504 5.637 9.064 1.00 1.07 N ATOM 1603 CA TYR A 98 -13.653 7.083 9.116 1.00 1.22 C ATOM 1604 C TYR A 98 -13.991 7.597 7.722 1.00 1.24 C ATOM 1605 O TYR A 98 -14.743 8.558 7.558 1.00 1.41 O ATOM 1606 CB TYR A 98 -12.368 7.738 9.636 1.00 1.27 C ATOM 1607 CG TYR A 98 -12.438 9.246 9.717 1.00 1.63 C ATOM 1608 CD1 TYR A 98 -12.934 9.878 10.851 1.00 1.80 C ATOM 1609 CD2 TYR A 98 -12.003 10.038 8.663 1.00 1.99 C ATOM 1610 CE1 TYR A 98 -12.993 11.254 10.932 1.00 2.16 C ATOM 1611 CE2 TYR A 98 -12.061 11.416 8.736 1.00 2.45 C ATOM 1612 CZ TYR A 98 -12.583 12.017 9.857 1.00 2.47 C ATOM 1613 OH TYR A 98 -12.609 13.392 9.953 1.00 2.92 O ATOM 0 H TYR A 98 -12.537 5.313 9.060 1.00 1.07 H new ATOM 0 HA TYR A 98 -14.460 7.341 9.802 1.00 1.22 H new ATOM 0 HB2 TYR A 98 -12.145 7.341 10.626 1.00 1.27 H new ATOM 0 HB3 TYR A 98 -11.540 7.457 8.985 1.00 1.27 H new ATOM 0 HD1 TYR A 98 -13.279 9.282 11.683 1.00 1.80 H new ATOM 0 HD2 TYR A 98 -11.613 9.569 7.772 1.00 1.99 H new ATOM 0 HE1 TYR A 98 -13.357 11.731 11.830 1.00 2.16 H new ATOM 0 HE2 TYR A 98 -11.698 12.019 7.916 1.00 2.45 H new ATOM 0 HH TYR A 98 -12.289 13.785 9.114 1.00 2.92 H new ATOM 1623 N PHE A 99 -13.434 6.927 6.721 1.00 1.23 N ATOM 1624 CA PHE A 99 -13.735 7.222 5.330 1.00 1.37 C ATOM 1625 C PHE A 99 -15.129 6.713 4.982 1.00 1.73 C ATOM 1626 O PHE A 99 -15.841 6.192 5.844 1.00 2.11 O ATOM 1627 CB PHE A 99 -12.696 6.575 4.409 1.00 1.72 C ATOM 1628 CG PHE A 99 -11.312 7.143 4.562 1.00 2.74 C ATOM 1629 CD1 PHE A 99 -10.977 8.351 3.971 1.00 3.47 C ATOM 1630 CD2 PHE A 99 -10.349 6.465 5.290 1.00 3.29 C ATOM 1631 CE1 PHE A 99 -9.704 8.873 4.105 1.00 4.65 C ATOM 1632 CE2 PHE A 99 -9.076 6.983 5.429 1.00 4.51 C ATOM 1633 CZ PHE A 99 -8.752 8.188 4.835 1.00 5.17 C ATOM 0 H PHE A 99 -12.765 6.168 6.851 1.00 1.23 H new ATOM 0 HA PHE A 99 -13.702 8.302 5.186 1.00 1.37 H new ATOM 0 HB2 PHE A 99 -12.663 5.504 4.609 1.00 1.72 H new ATOM 0 HB3 PHE A 99 -13.016 6.696 3.374 1.00 1.72 H new ATOM 0 HD1 PHE A 99 -11.718 8.890 3.400 1.00 3.47 H new ATOM 0 HD2 PHE A 99 -10.596 5.521 5.754 1.00 3.29 H new ATOM 0 HE1 PHE A 99 -9.454 9.815 3.640 1.00 4.65 H new ATOM 0 HE2 PHE A 99 -8.334 6.446 6.002 1.00 4.51 H new ATOM 0 HZ PHE A 99 -7.757 8.593 4.941 1.00 5.17 H new ATOM 1643 N VAL A 100 -15.514 6.871 3.729 1.00 1.96 N ATOM 1644 CA VAL A 100 -16.816 6.423 3.264 1.00 2.64 C ATOM 1645 C VAL A 100 -16.921 4.897 3.328 1.00 3.27 C ATOM 1646 O VAL A 100 -17.826 4.394 4.027 1.00 3.70 O ATOM 1647 CB VAL A 100 -17.108 6.939 1.834 1.00 2.78 C ATOM 1648 CG1 VAL A 100 -15.947 6.642 0.898 1.00 2.91 C ATOM 1649 CG2 VAL A 100 -18.406 6.349 1.296 1.00 3.58 C ATOM 1650 OXT VAL A 100 -16.071 4.210 2.729 1.00 3.84 O ATOM 0 H VAL A 100 -14.939 7.310 3.009 1.00 1.96 H new ATOM 0 HA VAL A 100 -17.571 6.843 3.928 1.00 2.64 H new ATOM 0 HB VAL A 100 -17.227 8.021 1.887 1.00 2.78 H new ATOM 0 HG11 VAL A 100 -16.179 7.015 -0.099 1.00 2.91 H new ATOM 0 HG12 VAL A 100 -15.047 7.132 1.268 1.00 2.91 H new ATOM 0 HG13 VAL A 100 -15.782 5.565 0.853 1.00 2.91 H new ATOM 0 HG21 VAL A 100 -18.588 6.727 0.290 1.00 3.58 H new ATOM 0 HG22 VAL A 100 -18.327 5.262 1.266 1.00 3.58 H new ATOM 0 HG23 VAL A 100 -19.233 6.635 1.946 1.00 3.58 H new TER 1660 VAL A 100