USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 839 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLU N :NH3+ 164:sc=-0.00984 (180deg=-0.316) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.947 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 10 HIS : no HD1:sc= -0.0931 X(o=-0.093,f=-0.48) USER MOD Single : A 11 SER OG : rot 180:sc= -0.421 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 150:sc= -1.2 USER MOD Single : A 21 SER OG : rot -66:sc= 0.919 USER MOD Single : A 24 SER OG : rot -156:sc= 0.843 USER MOD Single : A 26 ASN : amide:sc= -0.159 K(o=-0.16,f=-0.84!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.334 K(o=-0.33,f=-3!) USER MOD Single : A 38 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.298) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-2.7) USER MOD Single : A 48 LYS NZ :NH3+ -148:sc= 0.134 (180deg=0.00848) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.0227 X(o=-0.023,f=-0.0063) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 94:sc= 0.739 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.0363 X(o=-0.036,f=-0.39) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -2.2 K(o=-2.2,f=-3) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -153:sc= -0.0141 (180deg=-0.86) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -92:sc= 0.165 USER MOD Single : A 93 GLN : amide:sc= -0.0767 K(o=-0.077,f=-0.99) USER MOD Single : A 94 HIS : no HE2:sc= -4.03 K(o=-4,f=-3.2!) USER MOD Single : A 95 SER OG : rot -52:sc= 0.83 USER MOD Single : A 96 SER OG : rot -112:sc= 0.942 USER MOD Single : A 101 LYS NZ :NH3+ -123:sc= 0 (180deg=-1.23) USER MOD Single : A 104 HIS : no HD1:sc= -0.121 K(o=-0.12,f=-0.67) USER MOD Single : A 106 ASN : amide:sc= -3.85! C(o=-3.9!,f=-7.7!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -17.131 25.207 -18.199 1.00 0.00 N ATOM 2 CA GLU A 1 -17.496 24.952 -19.621 1.00 0.00 C ATOM 3 C GLU A 1 -16.602 23.847 -20.175 1.00 0.00 C ATOM 4 O GLU A 1 -16.205 23.871 -21.341 1.00 0.00 O ATOM 5 CB GLU A 1 -17.325 26.212 -20.475 1.00 0.00 C ATOM 6 CG GLU A 1 -18.206 26.108 -21.722 1.00 0.00 C ATOM 7 CD GLU A 1 -19.535 26.811 -21.470 1.00 0.00 C ATOM 8 OE1 GLU A 1 -19.512 27.905 -20.932 1.00 0.00 O ATOM 9 OE2 GLU A 1 -20.558 26.245 -21.819 1.00 0.00 O ATOM 0 H1 GLU A 1 -17.530 26.118 -17.896 1.00 0.00 H new ATOM 0 H2 GLU A 1 -17.512 24.446 -17.601 1.00 0.00 H new ATOM 0 H3 GLU A 1 -16.096 25.235 -18.106 1.00 0.00 H new ATOM 0 HA GLU A 1 -18.543 24.653 -19.658 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -17.597 27.095 -19.897 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -16.280 26.329 -20.764 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -17.700 26.560 -22.575 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -18.379 25.061 -21.971 1.00 0.00 H new ATOM 18 N THR A 2 -16.291 22.873 -19.324 1.00 0.00 N ATOM 19 CA THR A 2 -15.442 21.757 -19.733 1.00 0.00 C ATOM 20 C THR A 2 -16.269 20.475 -19.854 1.00 0.00 C ATOM 21 O THR A 2 -17.220 20.270 -19.099 1.00 0.00 O ATOM 22 CB THR A 2 -14.322 21.535 -18.714 1.00 0.00 C ATOM 23 OG1 THR A 2 -13.606 20.354 -19.049 1.00 0.00 O ATOM 24 CG2 THR A 2 -14.922 21.391 -17.315 1.00 0.00 C ATOM 0 H THR A 2 -16.610 22.833 -18.356 1.00 0.00 H new ATOM 0 HA THR A 2 -15.006 22.001 -20.702 1.00 0.00 H new ATOM 0 HB THR A 2 -13.644 22.388 -18.729 1.00 0.00 H new ATOM 0 HG1 THR A 2 -12.887 20.211 -18.398 1.00 0.00 H new ATOM 0 HG21 THR A 2 -14.123 21.233 -16.591 1.00 0.00 H new ATOM 0 HG22 THR A 2 -15.470 22.298 -17.059 1.00 0.00 H new ATOM 0 HG23 THR A 2 -15.602 20.539 -17.297 1.00 0.00 H new ATOM 32 N PRO A 3 -15.917 19.594 -20.802 1.00 0.00 N ATOM 33 CA PRO A 3 -16.641 18.330 -21.006 1.00 0.00 C ATOM 34 C PRO A 3 -16.397 17.334 -19.874 1.00 0.00 C ATOM 35 O PRO A 3 -15.420 16.587 -19.885 1.00 0.00 O ATOM 36 CB PRO A 3 -16.082 17.792 -22.320 1.00 0.00 C ATOM 37 CG PRO A 3 -14.729 18.404 -22.444 1.00 0.00 C ATOM 38 CD PRO A 3 -14.801 19.738 -21.756 1.00 0.00 C ATOM 0 HA PRO A 3 -17.720 18.484 -21.026 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -16.023 16.704 -22.307 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -16.718 18.067 -23.161 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -13.972 17.770 -21.983 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -14.451 18.522 -23.491 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.868 19.973 -21.244 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.986 20.543 -22.467 1.00 0.00 H new ATOM 46 N ARG A 4 -17.301 17.334 -18.898 1.00 0.00 N ATOM 47 CA ARG A 4 -17.180 16.428 -17.760 1.00 0.00 C ATOM 48 C ARG A 4 -18.513 16.313 -17.027 1.00 0.00 C ATOM 49 O ARG A 4 -19.214 17.304 -16.825 1.00 0.00 O ATOM 50 CB ARG A 4 -16.116 16.935 -16.783 1.00 0.00 C ATOM 51 CG ARG A 4 -15.756 15.823 -15.798 1.00 0.00 C ATOM 52 CD ARG A 4 -14.321 16.019 -15.307 1.00 0.00 C ATOM 53 NE ARG A 4 -13.376 15.355 -16.202 1.00 0.00 N ATOM 54 CZ ARG A 4 -12.428 16.046 -16.830 1.00 0.00 C ATOM 55 NH1 ARG A 4 -11.287 16.273 -16.239 1.00 0.00 N ATOM 56 NH2 ARG A 4 -12.640 16.494 -18.038 1.00 0.00 N ATOM 0 H ARG A 4 -18.118 17.945 -18.872 1.00 0.00 H new ATOM 0 HA ARG A 4 -16.888 15.449 -18.139 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -15.228 17.253 -17.329 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -16.488 17.806 -16.244 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -16.445 15.834 -14.953 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -15.857 14.850 -16.279 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -14.092 17.083 -15.252 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -14.218 15.618 -14.299 1.00 0.00 H new ATOM 0 HE ARG A 4 -13.444 14.348 -16.347 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -11.122 15.921 -15.296 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -10.560 16.803 -16.720 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -13.532 16.314 -18.499 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -11.914 17.024 -18.520 1.00 0.00 H new ATOM 70 N GLU A 5 -18.854 15.089 -16.633 1.00 0.00 N ATOM 71 CA GLU A 5 -20.107 14.851 -15.922 1.00 0.00 C ATOM 72 C GLU A 5 -20.202 13.391 -15.486 1.00 0.00 C ATOM 73 O GLU A 5 -20.632 12.527 -16.249 1.00 0.00 O ATOM 74 CB GLU A 5 -21.302 15.181 -16.818 1.00 0.00 C ATOM 75 CG GLU A 5 -22.558 15.339 -15.958 1.00 0.00 C ATOM 76 CD GLU A 5 -22.579 16.733 -15.340 1.00 0.00 C ATOM 77 OE1 GLU A 5 -23.111 17.631 -15.972 1.00 0.00 O ATOM 78 OE2 GLU A 5 -22.063 16.882 -14.245 1.00 0.00 O ATOM 0 H GLU A 5 -18.288 14.255 -16.791 1.00 0.00 H new ATOM 0 HA GLU A 5 -20.123 15.496 -15.043 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -21.111 16.099 -17.373 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -21.449 14.389 -17.553 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -23.450 15.186 -16.566 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -22.573 14.582 -15.174 1.00 0.00 H new ATOM 85 N LYS A 6 -19.793 13.129 -14.248 1.00 0.00 N ATOM 86 CA LYS A 6 -19.834 11.770 -13.715 1.00 0.00 C ATOM 87 C LYS A 6 -19.956 11.797 -12.195 1.00 0.00 C ATOM 88 O LYS A 6 -19.996 12.862 -11.578 1.00 0.00 O ATOM 89 CB LYS A 6 -18.566 11.005 -14.100 1.00 0.00 C ATOM 90 CG LYS A 6 -18.765 10.340 -15.463 1.00 0.00 C ATOM 91 CD LYS A 6 -17.991 9.021 -15.507 1.00 0.00 C ATOM 92 CE LYS A 6 -18.735 8.021 -16.394 1.00 0.00 C ATOM 93 NZ LYS A 6 -18.290 6.624 -16.130 1.00 0.00 N ATOM 0 H LYS A 6 -19.433 13.831 -13.601 1.00 0.00 H new ATOM 0 HA LYS A 6 -20.703 11.268 -14.140 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -17.715 11.685 -14.136 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -18.340 10.252 -13.345 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -19.825 10.158 -15.639 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -18.420 11.003 -16.256 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -16.986 9.190 -15.895 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -17.881 8.618 -14.500 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -19.807 8.103 -16.216 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -18.566 8.266 -17.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -18.813 5.971 -16.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -17.271 6.542 -16.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -18.474 6.383 -15.135 1.00 0.00 H new ATOM 107 N LEU A 7 -20.014 10.610 -11.598 1.00 0.00 N ATOM 108 CA LEU A 7 -20.132 10.502 -10.146 1.00 0.00 C ATOM 109 C LEU A 7 -19.676 9.121 -9.676 1.00 0.00 C ATOM 110 O LEU A 7 -20.333 8.472 -8.861 1.00 0.00 O ATOM 111 CB LEU A 7 -21.581 10.743 -9.694 1.00 0.00 C ATOM 112 CG LEU A 7 -22.688 10.142 -10.575 1.00 0.00 C ATOM 113 CD1 LEU A 7 -22.810 10.943 -11.874 1.00 0.00 C ATOM 114 CD2 LEU A 7 -22.363 8.681 -10.905 1.00 0.00 C ATOM 0 H LEU A 7 -19.982 9.717 -12.091 1.00 0.00 H new ATOM 0 HA LEU A 7 -19.493 11.265 -9.701 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -21.694 10.344 -8.686 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -21.743 11.819 -9.631 1.00 0.00 H new ATOM 0 HG LEU A 7 -23.632 10.185 -10.032 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -23.596 10.513 -12.494 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -23.058 11.979 -11.641 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -21.863 10.909 -12.413 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -23.153 8.265 -11.529 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -21.414 8.631 -11.439 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -22.290 8.107 -9.981 1.00 0.00 H new ATOM 126 N LYS A 8 -18.537 8.679 -10.203 1.00 0.00 N ATOM 127 CA LYS A 8 -17.997 7.373 -9.834 1.00 0.00 C ATOM 128 C LYS A 8 -16.477 7.363 -9.986 1.00 0.00 C ATOM 129 O LYS A 8 -15.741 7.253 -9.006 1.00 0.00 O ATOM 130 CB LYS A 8 -18.596 6.278 -10.722 1.00 0.00 C ATOM 131 CG LYS A 8 -18.782 4.996 -9.906 1.00 0.00 C ATOM 132 CD LYS A 8 -20.222 4.918 -9.394 1.00 0.00 C ATOM 133 CE LYS A 8 -21.131 4.397 -10.508 1.00 0.00 C ATOM 134 NZ LYS A 8 -22.451 3.956 -9.971 1.00 0.00 N ATOM 0 H LYS A 8 -17.976 9.198 -10.878 1.00 0.00 H new ATOM 0 HA LYS A 8 -18.259 7.180 -8.794 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -19.554 6.607 -11.125 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.941 6.087 -11.572 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -18.557 4.125 -10.522 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -18.086 4.982 -9.067 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -20.276 4.259 -8.528 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -20.557 5.902 -9.067 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -21.282 5.179 -11.252 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -20.646 3.563 -11.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -23.044 3.608 -10.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -22.307 3.193 -9.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -22.923 4.759 -9.508 1.00 0.00 H new ATOM 148 N GLN A 9 -16.022 7.481 -11.231 1.00 0.00 N ATOM 149 CA GLN A 9 -14.587 7.487 -11.515 1.00 0.00 C ATOM 150 C GLN A 9 -13.923 6.186 -11.053 1.00 0.00 C ATOM 151 O GLN A 9 -12.705 6.131 -10.881 1.00 0.00 O ATOM 152 CB GLN A 9 -13.909 8.666 -10.815 1.00 0.00 C ATOM 153 CG GLN A 9 -14.129 9.941 -11.632 1.00 0.00 C ATOM 154 CD GLN A 9 -14.080 11.152 -10.707 1.00 0.00 C ATOM 155 OE1 GLN A 9 -13.397 11.133 -9.683 1.00 0.00 O ATOM 156 NE2 GLN A 9 -14.772 12.216 -11.009 1.00 0.00 N ATOM 0 H GLN A 9 -16.619 7.573 -12.053 1.00 0.00 H new ATOM 0 HA GLN A 9 -14.469 7.580 -12.595 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -14.316 8.790 -9.812 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -12.842 8.472 -10.704 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -13.364 10.028 -12.403 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -15.092 9.898 -12.141 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -15.338 12.232 -11.857 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -14.747 13.031 -10.397 1.00 0.00 H new ATOM 165 N HIS A 10 -14.727 5.137 -10.859 1.00 0.00 N ATOM 166 CA HIS A 10 -14.196 3.843 -10.423 1.00 0.00 C ATOM 167 C HIS A 10 -13.360 3.986 -9.151 1.00 0.00 C ATOM 168 O HIS A 10 -12.416 3.230 -8.923 1.00 0.00 O ATOM 169 CB HIS A 10 -13.323 3.230 -11.521 1.00 0.00 C ATOM 170 CG HIS A 10 -14.200 2.726 -12.634 1.00 0.00 C ATOM 171 ND1 HIS A 10 -14.963 3.578 -13.419 1.00 0.00 N ATOM 172 CD2 HIS A 10 -14.445 1.460 -13.108 1.00 0.00 C ATOM 173 CE1 HIS A 10 -15.624 2.821 -14.313 1.00 0.00 C ATOM 174 NE2 HIS A 10 -15.344 1.523 -14.168 1.00 0.00 N ATOM 0 H HIS A 10 -15.738 5.157 -10.995 1.00 0.00 H new ATOM 0 HA HIS A 10 -15.047 3.193 -10.217 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -12.624 3.974 -11.903 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -12.728 2.413 -11.114 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -14.006 0.554 -12.717 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -16.299 3.215 -15.058 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -15.711 0.745 -14.717 1.00 0.00 H new ATOM 182 N SER A 11 -13.718 4.966 -8.325 1.00 0.00 N ATOM 183 CA SER A 11 -12.991 5.202 -7.079 1.00 0.00 C ATOM 184 C SER A 11 -13.846 4.820 -5.872 1.00 0.00 C ATOM 185 O SER A 11 -13.324 4.456 -4.818 1.00 0.00 O ATOM 186 CB SER A 11 -12.591 6.672 -6.962 1.00 0.00 C ATOM 187 OG SER A 11 -13.552 7.476 -7.634 1.00 0.00 O ATOM 0 H SER A 11 -14.497 5.603 -8.492 1.00 0.00 H new ATOM 0 HA SER A 11 -12.095 4.582 -7.095 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.528 6.961 -5.913 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.603 6.827 -7.395 1.00 0.00 H new ATOM 0 HG SER A 11 -13.299 8.420 -7.559 1.00 0.00 H new ATOM 193 N ASP A 12 -15.166 4.909 -6.032 1.00 0.00 N ATOM 194 CA ASP A 12 -16.087 4.572 -4.945 1.00 0.00 C ATOM 195 C ASP A 12 -15.856 3.141 -4.461 1.00 0.00 C ATOM 196 O ASP A 12 -16.034 2.833 -3.282 1.00 0.00 O ATOM 197 CB ASP A 12 -17.542 4.719 -5.407 1.00 0.00 C ATOM 198 CG ASP A 12 -17.798 3.824 -6.617 1.00 0.00 C ATOM 199 OD1 ASP A 12 -16.980 3.831 -7.522 1.00 0.00 O ATOM 200 OD2 ASP A 12 -18.810 3.142 -6.619 1.00 0.00 O ATOM 0 H ASP A 12 -15.619 5.209 -6.895 1.00 0.00 H new ATOM 0 HA ASP A 12 -15.897 5.262 -4.123 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -18.219 4.450 -4.596 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -17.748 5.758 -5.663 1.00 0.00 H new ATOM 205 N ALA A 13 -15.460 2.272 -5.386 1.00 0.00 N ATOM 206 CA ALA A 13 -15.207 0.875 -5.045 1.00 0.00 C ATOM 207 C ALA A 13 -14.063 0.771 -4.042 1.00 0.00 C ATOM 208 O ALA A 13 -14.207 0.179 -2.972 1.00 0.00 O ATOM 209 CB ALA A 13 -14.845 0.074 -6.298 1.00 0.00 C ATOM 0 H ALA A 13 -15.308 2.506 -6.367 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.116 0.467 -4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.660 -0.965 -6.025 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -15.669 0.121 -7.010 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.948 0.495 -6.753 1.00 0.00 H new ATOM 215 N CYS A 14 -12.923 1.353 -4.402 1.00 0.00 N ATOM 216 CA CYS A 14 -11.752 1.322 -3.525 1.00 0.00 C ATOM 217 C CYS A 14 -11.904 2.300 -2.355 1.00 0.00 C ATOM 218 O CYS A 14 -11.180 2.208 -1.365 1.00 0.00 O ATOM 219 CB CYS A 14 -10.478 1.666 -4.305 1.00 0.00 C ATOM 220 SG CYS A 14 -10.657 3.280 -5.108 1.00 0.00 S ATOM 0 H CYS A 14 -12.783 1.847 -5.283 1.00 0.00 H new ATOM 0 HA CYS A 14 -11.674 0.309 -3.130 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.622 1.680 -3.631 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.282 0.898 -5.054 1.00 0.00 H new ATOM 225 N LYS A 15 -12.845 3.238 -2.472 1.00 0.00 N ATOM 226 CA LYS A 15 -13.064 4.214 -1.406 1.00 0.00 C ATOM 227 C LYS A 15 -13.803 3.578 -0.227 1.00 0.00 C ATOM 228 O LYS A 15 -13.688 4.035 0.910 1.00 0.00 O ATOM 229 CB LYS A 15 -13.883 5.397 -1.924 1.00 0.00 C ATOM 230 CG LYS A 15 -13.666 6.607 -1.012 1.00 0.00 C ATOM 231 CD LYS A 15 -12.288 7.213 -1.285 1.00 0.00 C ATOM 232 CE LYS A 15 -12.413 8.320 -2.335 1.00 0.00 C ATOM 233 NZ LYS A 15 -12.557 9.660 -1.698 1.00 0.00 N ATOM 0 H LYS A 15 -13.458 3.342 -3.280 1.00 0.00 H new ATOM 0 HA LYS A 15 -12.087 4.562 -1.072 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.586 5.639 -2.944 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.941 5.136 -1.953 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.443 7.351 -1.187 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -13.742 6.306 0.033 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.868 7.617 -0.364 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.603 6.441 -1.635 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.533 8.314 -2.979 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -13.275 8.124 -2.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.639 10.388 -2.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.410 9.672 -1.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.722 9.856 -1.110 1.00 0.00 H new ATOM 247 N ALA A 16 -14.569 2.524 -0.510 1.00 0.00 N ATOM 248 CA ALA A 16 -15.329 1.837 0.536 1.00 0.00 C ATOM 249 C ALA A 16 -14.417 1.348 1.664 1.00 0.00 C ATOM 250 O ALA A 16 -14.872 1.121 2.785 1.00 0.00 O ATOM 251 CB ALA A 16 -16.076 0.639 -0.050 1.00 0.00 C ATOM 0 H ALA A 16 -14.680 2.130 -1.444 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.039 2.556 0.945 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.636 0.138 0.739 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.764 0.982 -0.822 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.360 -0.058 -0.485 1.00 0.00 H new ATOM 257 N GLU A 17 -13.129 1.182 1.363 1.00 0.00 N ATOM 258 CA GLU A 17 -12.183 0.712 2.375 1.00 0.00 C ATOM 259 C GLU A 17 -10.782 1.250 2.099 1.00 0.00 C ATOM 260 O GLU A 17 -10.100 1.734 3.003 1.00 0.00 O ATOM 261 CB GLU A 17 -12.133 -0.817 2.391 1.00 0.00 C ATOM 262 CG GLU A 17 -11.306 -1.290 3.591 1.00 0.00 C ATOM 263 CD GLU A 17 -12.137 -1.161 4.863 1.00 0.00 C ATOM 264 OE1 GLU A 17 -13.157 -1.826 4.952 1.00 0.00 O ATOM 265 OE2 GLU A 17 -11.740 -0.401 5.732 1.00 0.00 O ATOM 0 H GLU A 17 -12.722 1.362 0.445 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.525 1.078 3.343 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.143 -1.224 2.449 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.693 -1.187 1.465 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.998 -2.326 3.448 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.396 -0.696 3.676 1.00 0.00 H new ATOM 272 N SER A 18 -10.357 1.153 0.844 1.00 0.00 N ATOM 273 CA SER A 18 -9.029 1.627 0.460 1.00 0.00 C ATOM 274 C SER A 18 -8.974 3.156 0.477 1.00 0.00 C ATOM 275 O SER A 18 -8.807 3.805 -0.558 1.00 0.00 O ATOM 276 CB SER A 18 -8.665 1.122 -0.938 1.00 0.00 C ATOM 277 OG SER A 18 -9.317 -0.119 -1.172 1.00 0.00 O ATOM 0 H SER A 18 -10.905 0.755 0.081 1.00 0.00 H new ATOM 0 HA SER A 18 -8.312 1.237 1.182 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.965 1.851 -1.690 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.585 1.001 -1.024 1.00 0.00 H new ATOM 0 HG SER A 18 -9.503 -0.216 -2.129 1.00 0.00 H new ATOM 283 N GLY A 19 -9.113 3.725 1.671 1.00 0.00 N ATOM 284 CA GLY A 19 -9.076 5.171 1.827 1.00 0.00 C ATOM 285 C GLY A 19 -7.813 5.595 2.566 1.00 0.00 C ATOM 286 O GLY A 19 -7.852 6.435 3.465 1.00 0.00 O ATOM 0 H GLY A 19 -9.252 3.208 2.539 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.110 5.649 0.848 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.956 5.506 2.376 1.00 0.00 H new ATOM 290 N VAL A 20 -6.688 4.994 2.179 1.00 0.00 N ATOM 291 CA VAL A 20 -5.406 5.302 2.811 1.00 0.00 C ATOM 292 C VAL A 20 -5.096 6.800 2.715 1.00 0.00 C ATOM 293 O VAL A 20 -4.440 7.367 3.587 1.00 0.00 O ATOM 294 CB VAL A 20 -4.281 4.489 2.144 1.00 0.00 C ATOM 295 CG1 VAL A 20 -4.155 4.878 0.667 1.00 0.00 C ATOM 296 CG2 VAL A 20 -2.951 4.758 2.858 1.00 0.00 C ATOM 0 H VAL A 20 -6.638 4.296 1.437 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.470 5.031 3.865 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.524 3.429 2.216 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.357 4.297 0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.096 4.674 0.155 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.923 5.940 0.589 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.159 4.180 2.382 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.713 5.820 2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.034 4.465 3.905 1.00 0.00 H new ATOM 306 N SER A 21 -5.579 7.427 1.642 1.00 0.00 N ATOM 307 CA SER A 21 -5.355 8.860 1.430 1.00 0.00 C ATOM 308 C SER A 21 -3.861 9.184 1.440 1.00 0.00 C ATOM 309 O SER A 21 -3.017 8.288 1.412 1.00 0.00 O ATOM 310 CB SER A 21 -6.067 9.681 2.512 1.00 0.00 C ATOM 311 OG SER A 21 -5.286 9.690 3.701 1.00 0.00 O ATOM 0 H SER A 21 -6.124 6.971 0.910 1.00 0.00 H new ATOM 0 HA SER A 21 -5.765 9.122 0.455 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.226 10.701 2.162 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.050 9.257 2.715 1.00 0.00 H new ATOM 0 HG SER A 21 -5.247 8.784 4.074 1.00 0.00 H new ATOM 317 N GLU A 22 -3.545 10.477 1.479 1.00 0.00 N ATOM 318 CA GLU A 22 -2.150 10.910 1.491 1.00 0.00 C ATOM 319 C GLU A 22 -1.594 10.879 2.916 1.00 0.00 C ATOM 320 O GLU A 22 -1.161 11.897 3.459 1.00 0.00 O ATOM 321 CB GLU A 22 -2.028 12.328 0.926 1.00 0.00 C ATOM 322 CG GLU A 22 -0.665 12.495 0.253 1.00 0.00 C ATOM 323 CD GLU A 22 -0.251 13.961 0.298 1.00 0.00 C ATOM 324 OE1 GLU A 22 -0.888 14.758 -0.371 1.00 0.00 O ATOM 325 OE2 GLU A 22 0.698 14.267 1.002 1.00 0.00 O ATOM 0 H GLU A 22 -4.227 11.235 1.503 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.575 10.225 0.868 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.826 12.514 0.207 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.143 13.060 1.725 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.080 11.880 0.759 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.713 12.152 -0.780 1.00 0.00 H new ATOM 332 N GLU A 23 -1.608 9.692 3.515 1.00 0.00 N ATOM 333 CA GLU A 23 -1.101 9.527 4.875 1.00 0.00 C ATOM 334 C GLU A 23 0.011 8.483 4.897 1.00 0.00 C ATOM 335 O GLU A 23 1.174 8.799 5.144 1.00 0.00 O ATOM 336 CB GLU A 23 -2.225 9.087 5.818 1.00 0.00 C ATOM 337 CG GLU A 23 -2.021 9.727 7.193 1.00 0.00 C ATOM 338 CD GLU A 23 -3.277 9.537 8.035 1.00 0.00 C ATOM 339 OE1 GLU A 23 -4.315 10.043 7.639 1.00 0.00 O ATOM 340 OE2 GLU A 23 -3.185 8.887 9.063 1.00 0.00 O ATOM 0 H GLU A 23 -1.961 8.837 3.086 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.708 10.486 5.211 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.192 9.380 5.409 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.233 8.001 5.909 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.164 9.275 7.692 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.802 10.789 7.082 1.00 0.00 H new ATOM 347 N SER A 24 -0.361 7.235 4.627 1.00 0.00 N ATOM 348 CA SER A 24 0.614 6.149 4.608 1.00 0.00 C ATOM 349 C SER A 24 1.521 6.281 3.390 1.00 0.00 C ATOM 350 O SER A 24 2.698 5.918 3.431 1.00 0.00 O ATOM 351 CB SER A 24 -0.091 4.794 4.562 1.00 0.00 C ATOM 352 OG SER A 24 -1.076 4.741 5.585 1.00 0.00 O ATOM 0 H SER A 24 -1.319 6.952 4.421 1.00 0.00 H new ATOM 0 HA SER A 24 1.210 6.212 5.518 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.555 4.646 3.587 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.633 3.990 4.696 1.00 0.00 H new ATOM 0 HG SER A 24 -1.257 3.806 5.817 1.00 0.00 H new ATOM 358 N LEU A 25 0.959 6.807 2.303 1.00 0.00 N ATOM 359 CA LEU A 25 1.722 6.990 1.072 1.00 0.00 C ATOM 360 C LEU A 25 2.900 7.929 1.308 1.00 0.00 C ATOM 361 O LEU A 25 3.969 7.769 0.721 1.00 0.00 O ATOM 362 CB LEU A 25 0.827 7.570 -0.026 1.00 0.00 C ATOM 363 CG LEU A 25 0.023 6.544 -0.826 1.00 0.00 C ATOM 364 CD1 LEU A 25 -1.036 7.262 -1.663 1.00 0.00 C ATOM 365 CD2 LEU A 25 0.964 5.768 -1.752 1.00 0.00 C ATOM 0 H LEU A 25 -0.013 7.111 2.250 1.00 0.00 H new ATOM 0 HA LEU A 25 2.097 6.016 0.758 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.132 8.276 0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.450 8.137 -0.717 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.465 5.852 -0.140 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.608 6.529 -2.232 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.707 7.814 -1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.549 7.955 -2.349 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.392 5.037 -2.322 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.453 6.461 -2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.718 5.254 -1.156 1.00 0.00 H new ATOM 377 N ASN A 26 2.692 8.911 2.182 1.00 0.00 N ATOM 378 CA ASN A 26 3.746 9.872 2.496 1.00 0.00 C ATOM 379 C ASN A 26 4.927 9.161 3.147 1.00 0.00 C ATOM 380 O ASN A 26 6.085 9.438 2.837 1.00 0.00 O ATOM 381 CB ASN A 26 3.224 10.949 3.451 1.00 0.00 C ATOM 382 CG ASN A 26 4.100 12.192 3.341 1.00 0.00 C ATOM 383 OD1 ASN A 26 5.316 12.090 3.172 1.00 0.00 O ATOM 384 ND2 ASN A 26 3.551 13.372 3.428 1.00 0.00 N ATOM 0 H ASN A 26 1.815 9.062 2.680 1.00 0.00 H new ATOM 0 HA ASN A 26 4.067 10.341 1.566 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.191 11.196 3.208 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.230 10.576 4.475 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.128 14.210 3.356 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.544 13.457 3.568 1.00 0.00 H new ATOM 391 N LYS A 27 4.617 8.236 4.052 1.00 0.00 N ATOM 392 CA LYS A 27 5.659 7.480 4.744 1.00 0.00 C ATOM 393 C LYS A 27 6.491 6.678 3.746 1.00 0.00 C ATOM 394 O LYS A 27 7.677 6.428 3.965 1.00 0.00 O ATOM 395 CB LYS A 27 5.036 6.518 5.759 1.00 0.00 C ATOM 396 CG LYS A 27 4.658 7.288 7.026 1.00 0.00 C ATOM 397 CD LYS A 27 3.727 6.431 7.887 1.00 0.00 C ATOM 398 CE LYS A 27 2.745 7.334 8.633 1.00 0.00 C ATOM 399 NZ LYS A 27 2.301 6.714 9.914 1.00 0.00 N ATOM 0 H LYS A 27 3.664 7.993 4.322 1.00 0.00 H new ATOM 0 HA LYS A 27 6.302 8.191 5.263 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.153 6.044 5.332 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.740 5.722 6.001 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.555 7.546 7.588 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.167 8.224 6.762 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.183 5.724 7.260 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.309 5.844 8.597 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.216 8.296 8.837 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.878 7.530 8.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.636 7.352 10.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.831 5.808 9.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.127 6.550 10.525 1.00 0.00 H new ATOM 413 N VAL A 28 5.857 6.278 2.645 1.00 0.00 N ATOM 414 CA VAL A 28 6.550 5.506 1.615 1.00 0.00 C ATOM 415 C VAL A 28 7.715 6.310 1.037 1.00 0.00 C ATOM 416 O VAL A 28 8.703 5.743 0.571 1.00 0.00 O ATOM 417 CB VAL A 28 5.584 5.130 0.484 1.00 0.00 C ATOM 418 CG1 VAL A 28 6.292 4.217 -0.522 1.00 0.00 C ATOM 419 CG2 VAL A 28 4.374 4.393 1.067 1.00 0.00 C ATOM 0 H VAL A 28 4.876 6.473 2.444 1.00 0.00 H new ATOM 0 HA VAL A 28 6.934 4.596 2.077 1.00 0.00 H new ATOM 0 HB VAL A 28 5.254 6.039 -0.020 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.601 3.953 -1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.153 4.737 -0.942 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.626 3.310 -0.018 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.688 4.126 0.263 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.709 3.488 1.574 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.863 5.040 1.780 1.00 0.00 H new ATOM 429 N ARG A 29 7.591 7.639 1.073 1.00 0.00 N ATOM 430 CA ARG A 29 8.643 8.512 0.550 1.00 0.00 C ATOM 431 C ARG A 29 9.979 8.218 1.231 1.00 0.00 C ATOM 432 O ARG A 29 11.044 8.361 0.632 1.00 0.00 O ATOM 433 CB ARG A 29 8.282 9.981 0.781 1.00 0.00 C ATOM 434 CG ARG A 29 7.142 10.383 -0.158 1.00 0.00 C ATOM 435 CD ARG A 29 7.719 11.028 -1.419 1.00 0.00 C ATOM 436 NE ARG A 29 8.398 12.280 -1.093 1.00 0.00 N ATOM 437 CZ ARG A 29 7.708 13.359 -0.734 1.00 0.00 C ATOM 438 NH1 ARG A 29 7.004 14.009 -1.621 1.00 0.00 N ATOM 439 NH2 ARG A 29 7.737 13.769 0.504 1.00 0.00 N ATOM 0 H ARG A 29 6.782 8.129 1.454 1.00 0.00 H new ATOM 0 HA ARG A 29 8.733 8.320 -0.519 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.984 10.134 1.818 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.153 10.612 0.604 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.550 9.507 -0.424 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.472 11.080 0.345 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.419 10.342 -1.897 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.919 11.218 -2.135 1.00 0.00 H new ATOM 0 HE ARG A 29 9.416 12.327 -1.141 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.983 13.689 -2.589 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.475 14.836 -1.345 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.289 13.262 1.196 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.208 14.596 0.780 1.00 0.00 H new ATOM 453 N ASN A 30 9.907 7.799 2.492 1.00 0.00 N ATOM 454 CA ASN A 30 11.113 7.479 3.250 1.00 0.00 C ATOM 455 C ASN A 30 11.453 6.000 3.099 1.00 0.00 C ATOM 456 O ASN A 30 10.584 5.135 3.209 1.00 0.00 O ATOM 457 CB ASN A 30 10.916 7.799 4.733 1.00 0.00 C ATOM 458 CG ASN A 30 10.767 9.306 4.914 1.00 0.00 C ATOM 459 OD1 ASN A 30 10.088 9.968 4.128 1.00 0.00 O ATOM 460 ND2 ASN A 30 11.367 9.893 5.913 1.00 0.00 N ATOM 0 H ASN A 30 9.035 7.674 3.006 1.00 0.00 H new ATOM 0 HA ASN A 30 11.931 8.084 2.858 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.031 7.288 5.112 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.766 7.435 5.310 1.00 0.00 H new ATOM 0 HD21 ASN A 30 11.274 10.900 6.043 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.929 9.345 6.564 1.00 0.00 H new ATOM 467 N ARG A 31 12.727 5.720 2.845 1.00 0.00 N ATOM 468 CA ARG A 31 13.174 4.341 2.677 1.00 0.00 C ATOM 469 C ARG A 31 13.253 3.636 4.028 1.00 0.00 C ATOM 470 O ARG A 31 14.323 3.524 4.627 1.00 0.00 O ATOM 471 CB ARG A 31 14.553 4.302 2.012 1.00 0.00 C ATOM 472 CG ARG A 31 14.440 4.815 0.574 1.00 0.00 C ATOM 473 CD ARG A 31 15.838 4.939 -0.035 1.00 0.00 C ATOM 474 NE ARG A 31 16.363 6.289 0.151 1.00 0.00 N ATOM 475 CZ ARG A 31 17.315 6.769 -0.644 1.00 0.00 C ATOM 476 NH1 ARG A 31 17.036 7.086 -1.878 1.00 0.00 N ATOM 477 NH2 ARG A 31 18.529 6.922 -0.189 1.00 0.00 N ATOM 0 H ARG A 31 13.462 6.421 2.752 1.00 0.00 H new ATOM 0 HA ARG A 31 12.451 3.829 2.043 1.00 0.00 H new ATOM 0 HB2 ARG A 31 15.257 4.915 2.574 1.00 0.00 H new ATOM 0 HB3 ARG A 31 14.942 3.284 2.017 1.00 0.00 H new ATOM 0 HG2 ARG A 31 13.832 4.133 -0.020 1.00 0.00 H new ATOM 0 HG3 ARG A 31 13.939 5.783 0.560 1.00 0.00 H new ATOM 0 HD2 ARG A 31 16.508 4.215 0.429 1.00 0.00 H new ATOM 0 HD3 ARG A 31 15.800 4.701 -1.098 1.00 0.00 H new ATOM 0 HE ARG A 31 15.994 6.872 0.902 1.00 0.00 H new ATOM 0 HH11 ARG A 31 16.088 6.966 -2.233 1.00 0.00 H new ATOM 0 HH12 ARG A 31 17.766 7.454 -2.488 1.00 0.00 H new ATOM 0 HH21 ARG A 31 18.747 6.673 0.776 1.00 0.00 H new ATOM 0 HH22 ARG A 31 19.259 7.290 -0.798 1.00 0.00 H new ATOM 491 N GLU A 32 12.104 3.160 4.500 1.00 0.00 N ATOM 492 CA GLU A 32 12.051 2.464 5.784 1.00 0.00 C ATOM 493 C GLU A 32 11.442 1.070 5.609 1.00 0.00 C ATOM 494 O GLU A 32 12.161 0.072 5.554 1.00 0.00 O ATOM 495 CB GLU A 32 11.223 3.263 6.795 1.00 0.00 C ATOM 496 CG GLU A 32 12.066 4.412 7.351 1.00 0.00 C ATOM 497 CD GLU A 32 11.281 5.139 8.439 1.00 0.00 C ATOM 498 OE1 GLU A 32 10.569 4.473 9.171 1.00 0.00 O ATOM 499 OE2 GLU A 32 11.406 6.350 8.522 1.00 0.00 O ATOM 0 H GLU A 32 11.207 3.241 4.021 1.00 0.00 H new ATOM 0 HA GLU A 32 13.069 2.365 6.160 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.325 3.655 6.317 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.894 2.613 7.606 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.001 4.027 7.758 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.328 5.105 6.552 1.00 0.00 H new ATOM 506 N GLU A 33 10.112 1.011 5.519 1.00 0.00 N ATOM 507 CA GLU A 33 9.422 -0.268 5.347 1.00 0.00 C ATOM 508 C GLU A 33 7.910 -0.059 5.311 1.00 0.00 C ATOM 509 O GLU A 33 7.274 -0.292 4.285 1.00 0.00 O ATOM 510 CB GLU A 33 9.762 -1.229 6.494 1.00 0.00 C ATOM 511 CG GLU A 33 9.830 -2.661 5.961 1.00 0.00 C ATOM 512 CD GLU A 33 9.537 -3.641 7.093 1.00 0.00 C ATOM 513 OE1 GLU A 33 8.596 -3.399 7.831 1.00 0.00 O ATOM 514 OE2 GLU A 33 10.259 -4.617 7.205 1.00 0.00 O ATOM 0 H GLU A 33 9.497 1.824 5.562 1.00 0.00 H new ATOM 0 HA GLU A 33 9.755 -0.699 4.403 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.716 -0.952 6.943 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.008 -1.157 7.278 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.109 -2.795 5.155 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.817 -2.858 5.542 1.00 0.00 H new ATOM 521 N VAL A 34 7.367 0.381 6.454 1.00 0.00 N ATOM 522 CA VAL A 34 5.926 0.640 6.620 1.00 0.00 C ATOM 523 C VAL A 34 5.069 -0.560 6.196 1.00 0.00 C ATOM 524 O VAL A 34 5.496 -1.421 5.430 1.00 0.00 O ATOM 525 CB VAL A 34 5.486 1.916 5.866 1.00 0.00 C ATOM 526 CG1 VAL A 34 5.521 1.717 4.347 1.00 0.00 C ATOM 527 CG2 VAL A 34 4.061 2.284 6.287 1.00 0.00 C ATOM 0 H VAL A 34 7.915 0.569 7.294 1.00 0.00 H new ATOM 0 HA VAL A 34 5.762 0.801 7.686 1.00 0.00 H new ATOM 0 HB VAL A 34 6.183 2.715 6.121 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.205 2.636 3.852 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.535 1.468 4.036 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.847 0.906 4.071 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.746 3.183 5.758 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.386 1.464 6.042 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.035 2.467 7.361 1.00 0.00 H new ATOM 537 N ASP A 35 3.848 -0.609 6.723 1.00 0.00 N ATOM 538 CA ASP A 35 2.935 -1.704 6.406 1.00 0.00 C ATOM 539 C ASP A 35 1.487 -1.253 6.575 1.00 0.00 C ATOM 540 O ASP A 35 0.988 -1.125 7.692 1.00 0.00 O ATOM 541 CB ASP A 35 3.195 -2.901 7.324 1.00 0.00 C ATOM 542 CG ASP A 35 3.134 -2.449 8.778 1.00 0.00 C ATOM 543 OD1 ASP A 35 3.931 -1.602 9.149 1.00 0.00 O ATOM 544 OD2 ASP A 35 2.292 -2.957 9.502 1.00 0.00 O ATOM 0 H ASP A 35 3.471 0.089 7.365 1.00 0.00 H new ATOM 0 HA ASP A 35 3.107 -1.998 5.371 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.454 -3.680 7.143 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.172 -3.334 7.107 1.00 0.00 H new ATOM 549 N ASP A 36 0.818 -1.012 5.450 1.00 0.00 N ATOM 550 CA ASP A 36 -0.574 -0.574 5.485 1.00 0.00 C ATOM 551 C ASP A 36 -1.394 -1.315 4.421 1.00 0.00 C ATOM 552 O ASP A 36 -0.958 -1.441 3.276 1.00 0.00 O ATOM 553 CB ASP A 36 -0.666 0.931 5.226 1.00 0.00 C ATOM 554 CG ASP A 36 -0.414 1.687 6.525 1.00 0.00 C ATOM 555 OD1 ASP A 36 0.658 1.523 7.085 1.00 0.00 O ATOM 556 OD2 ASP A 36 -1.296 2.419 6.943 1.00 0.00 O ATOM 0 H ASP A 36 1.211 -1.111 4.514 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.974 -0.798 6.474 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.065 1.227 4.473 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.650 1.183 4.831 1.00 0.00 H new ATOM 561 N PRO A 37 -2.588 -1.814 4.779 1.00 0.00 N ATOM 562 CA PRO A 37 -3.447 -2.541 3.831 1.00 0.00 C ATOM 563 C PRO A 37 -4.101 -1.616 2.806 1.00 0.00 C ATOM 564 O PRO A 37 -4.026 -1.851 1.600 1.00 0.00 O ATOM 565 CB PRO A 37 -4.508 -3.190 4.715 1.00 0.00 C ATOM 566 CG PRO A 37 -4.571 -2.341 5.937 1.00 0.00 C ATOM 567 CD PRO A 37 -3.211 -1.728 6.112 1.00 0.00 C ATOM 0 HA PRO A 37 -2.873 -3.258 3.243 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.473 -3.225 4.210 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.240 -4.217 4.963 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.332 -1.568 5.832 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.841 -2.938 6.808 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.283 -0.694 6.450 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.627 -2.267 6.858 1.00 0.00 H new ATOM 575 N LYS A 38 -4.745 -0.558 3.302 1.00 0.00 N ATOM 576 CA LYS A 38 -5.416 0.405 2.426 1.00 0.00 C ATOM 577 C LYS A 38 -4.450 0.962 1.379 1.00 0.00 C ATOM 578 O LYS A 38 -4.855 1.340 0.281 1.00 0.00 O ATOM 579 CB LYS A 38 -5.983 1.566 3.245 1.00 0.00 C ATOM 580 CG LYS A 38 -7.177 1.075 4.068 1.00 0.00 C ATOM 581 CD LYS A 38 -7.811 2.257 4.805 1.00 0.00 C ATOM 582 CE LYS A 38 -7.234 2.346 6.220 1.00 0.00 C ATOM 583 NZ LYS A 38 -6.059 3.262 6.272 1.00 0.00 N ATOM 0 H LYS A 38 -4.816 -0.347 4.297 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.226 -0.120 1.920 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.214 1.969 3.904 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.292 2.375 2.583 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.912 0.603 3.416 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.853 0.319 4.783 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.618 3.183 4.263 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.893 2.133 4.849 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.003 2.699 6.907 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.938 1.353 6.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.901 3.569 7.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.215 2.764 5.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.240 4.094 5.674 1.00 0.00 H new ATOM 597 N LEU A 39 -3.168 1.008 1.733 1.00 0.00 N ATOM 598 CA LEU A 39 -2.153 1.520 0.817 1.00 0.00 C ATOM 599 C LEU A 39 -2.074 0.648 -0.434 1.00 0.00 C ATOM 600 O LEU A 39 -2.059 1.150 -1.558 1.00 0.00 O ATOM 601 CB LEU A 39 -0.783 1.549 1.505 1.00 0.00 C ATOM 602 CG LEU A 39 0.065 2.789 1.221 1.00 0.00 C ATOM 603 CD1 LEU A 39 1.319 2.762 2.098 1.00 0.00 C ATOM 604 CD2 LEU A 39 0.476 2.799 -0.253 1.00 0.00 C ATOM 0 H LEU A 39 -2.810 0.701 2.637 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.434 2.533 0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.934 1.471 2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.222 0.667 1.197 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.516 3.684 1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.924 3.646 1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.028 2.754 3.148 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.899 1.867 1.875 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.081 3.683 -0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.056 1.903 -0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.416 2.818 -0.879 1.00 0.00 H new ATOM 616 N LYS A 40 -2.021 -0.664 -0.224 1.00 0.00 N ATOM 617 CA LYS A 40 -1.940 -1.604 -1.339 1.00 0.00 C ATOM 618 C LYS A 40 -3.194 -1.520 -2.205 1.00 0.00 C ATOM 619 O LYS A 40 -3.115 -1.453 -3.432 1.00 0.00 O ATOM 620 CB LYS A 40 -1.793 -3.037 -0.820 1.00 0.00 C ATOM 621 CG LYS A 40 -0.514 -3.158 0.018 1.00 0.00 C ATOM 622 CD LYS A 40 -0.812 -3.930 1.306 1.00 0.00 C ATOM 623 CE LYS A 40 -0.778 -5.432 1.021 1.00 0.00 C ATOM 624 NZ LYS A 40 -1.356 -6.212 2.153 1.00 0.00 N ATOM 0 H LYS A 40 -2.032 -1.098 0.699 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.068 -1.339 -1.936 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.660 -3.306 -0.217 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.758 -3.735 -1.657 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.260 -3.670 -0.554 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.130 -2.167 0.258 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.078 -3.678 2.072 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.789 -3.645 1.695 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.336 -5.644 0.109 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.251 -5.748 0.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.319 -7.227 1.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.808 -6.027 3.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.345 -5.926 2.302 1.00 0.00 H new ATOM 638 N GLU A 41 -4.351 -1.531 -1.552 1.00 0.00 N ATOM 639 CA GLU A 41 -5.624 -1.464 -2.264 1.00 0.00 C ATOM 640 C GLU A 41 -5.761 -0.142 -3.014 1.00 0.00 C ATOM 641 O GLU A 41 -6.174 -0.110 -4.174 1.00 0.00 O ATOM 642 CB GLU A 41 -6.791 -1.597 -1.285 1.00 0.00 C ATOM 643 CG GLU A 41 -6.695 -2.936 -0.552 1.00 0.00 C ATOM 644 CD GLU A 41 -7.539 -3.978 -1.280 1.00 0.00 C ATOM 645 OE1 GLU A 41 -8.711 -3.717 -1.495 1.00 0.00 O ATOM 646 OE2 GLU A 41 -7.001 -5.021 -1.611 1.00 0.00 O ATOM 0 H GLU A 41 -4.435 -1.585 -0.537 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.645 -2.287 -2.978 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.773 -0.776 -0.568 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.738 -1.531 -1.821 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.656 -3.263 -0.505 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.042 -2.826 0.476 1.00 0.00 H new ATOM 653 N HIS A 42 -5.418 0.951 -2.336 1.00 0.00 N ATOM 654 CA HIS A 42 -5.514 2.284 -2.937 1.00 0.00 C ATOM 655 C HIS A 42 -4.759 2.349 -4.265 1.00 0.00 C ATOM 656 O HIS A 42 -5.297 2.795 -5.277 1.00 0.00 O ATOM 657 CB HIS A 42 -4.940 3.339 -1.990 1.00 0.00 C ATOM 658 CG HIS A 42 -5.377 4.707 -2.439 1.00 0.00 C ATOM 659 ND1 HIS A 42 -4.654 5.849 -2.137 1.00 0.00 N ATOM 660 CD2 HIS A 42 -6.461 5.131 -3.167 1.00 0.00 C ATOM 661 CE1 HIS A 42 -5.304 6.896 -2.677 1.00 0.00 C ATOM 662 NE2 HIS A 42 -6.412 6.513 -3.317 1.00 0.00 N ATOM 0 H HIS A 42 -5.073 0.943 -1.376 1.00 0.00 H new ATOM 0 HA HIS A 42 -6.570 2.484 -3.119 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -5.281 3.153 -0.972 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.852 3.279 -1.978 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -7.234 4.489 -3.563 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.971 7.921 -2.602 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -7.079 7.107 -3.810 1.00 0.00 H new ATOM 670 N ALA A 43 -3.506 1.899 -4.248 1.00 0.00 N ATOM 671 CA ALA A 43 -2.678 1.913 -5.457 1.00 0.00 C ATOM 672 C ALA A 43 -3.359 1.156 -6.596 1.00 0.00 C ATOM 673 O ALA A 43 -3.428 1.637 -7.727 1.00 0.00 O ATOM 674 CB ALA A 43 -1.318 1.271 -5.177 1.00 0.00 C ATOM 0 H ALA A 43 -3.043 1.523 -3.420 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.541 2.953 -5.752 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.714 1.288 -6.084 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.808 1.827 -4.390 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.462 0.239 -4.857 1.00 0.00 H new ATOM 680 N PHE A 44 -3.863 -0.035 -6.282 1.00 0.00 N ATOM 681 CA PHE A 44 -4.539 -0.857 -7.284 1.00 0.00 C ATOM 682 C PHE A 44 -5.743 -0.119 -7.870 1.00 0.00 C ATOM 683 O PHE A 44 -6.128 -0.344 -9.018 1.00 0.00 O ATOM 684 CB PHE A 44 -5.011 -2.174 -6.660 1.00 0.00 C ATOM 685 CG PHE A 44 -5.455 -3.122 -7.749 1.00 0.00 C ATOM 686 CD1 PHE A 44 -4.592 -3.433 -8.807 1.00 0.00 C ATOM 687 CD2 PHE A 44 -6.731 -3.696 -7.696 1.00 0.00 C ATOM 688 CE1 PHE A 44 -5.005 -4.315 -9.812 1.00 0.00 C ATOM 689 CE2 PHE A 44 -7.144 -4.580 -8.700 1.00 0.00 C ATOM 690 CZ PHE A 44 -6.281 -4.889 -9.758 1.00 0.00 C ATOM 0 H PHE A 44 -3.817 -0.450 -5.351 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.827 -1.065 -8.082 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.204 -2.623 -6.080 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.834 -1.987 -5.970 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.607 -2.992 -8.847 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.397 -3.457 -6.880 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.340 -4.553 -10.629 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.128 -5.023 -8.658 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.600 -5.570 -10.533 1.00 0.00 H new ATOM 700 N CYS A 45 -6.333 0.766 -7.069 1.00 0.00 N ATOM 701 CA CYS A 45 -7.493 1.535 -7.519 1.00 0.00 C ATOM 702 C CYS A 45 -7.107 2.474 -8.660 1.00 0.00 C ATOM 703 O CYS A 45 -7.915 2.768 -9.541 1.00 0.00 O ATOM 704 CB CYS A 45 -8.061 2.363 -6.362 1.00 0.00 C ATOM 705 SG CYS A 45 -9.653 3.076 -6.849 1.00 0.00 S ATOM 0 H CYS A 45 -6.032 0.968 -6.116 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.247 0.832 -7.872 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -8.187 1.735 -5.480 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -7.363 3.156 -6.092 1.00 0.00 H new ATOM 710 N ILE A 46 -5.862 2.946 -8.630 1.00 0.00 N ATOM 711 CA ILE A 46 -5.376 3.856 -9.666 1.00 0.00 C ATOM 712 C ILE A 46 -4.645 3.060 -10.754 1.00 0.00 C ATOM 713 O ILE A 46 -4.634 3.452 -11.921 1.00 0.00 O ATOM 714 CB ILE A 46 -4.445 4.928 -9.045 1.00 0.00 C ATOM 715 CG1 ILE A 46 -5.289 5.941 -8.259 1.00 0.00 C ATOM 716 CG2 ILE A 46 -3.672 5.692 -10.134 1.00 0.00 C ATOM 717 CD1 ILE A 46 -5.941 5.262 -7.056 1.00 0.00 C ATOM 0 H ILE A 46 -5.178 2.717 -7.909 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.224 4.368 -10.121 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.736 4.419 -8.392 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.661 6.767 -7.924 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.056 6.366 -8.906 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.027 6.437 -9.668 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.063 4.992 -10.706 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.377 6.188 -10.800 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.537 5.990 -6.506 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.584 4.452 -7.400 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.168 4.859 -6.402 1.00 0.00 H new ATOM 729 N LEU A 47 -4.041 1.936 -10.365 1.00 0.00 N ATOM 730 CA LEU A 47 -3.323 1.100 -11.327 1.00 0.00 C ATOM 731 C LEU A 47 -4.285 0.613 -12.411 1.00 0.00 C ATOM 732 O LEU A 47 -3.942 0.559 -13.591 1.00 0.00 O ATOM 733 CB LEU A 47 -2.683 -0.105 -10.621 1.00 0.00 C ATOM 734 CG LEU A 47 -1.151 -0.153 -10.651 1.00 0.00 C ATOM 735 CD1 LEU A 47 -0.678 -0.392 -12.085 1.00 0.00 C ATOM 736 CD2 LEU A 47 -0.584 1.174 -10.141 1.00 0.00 C ATOM 0 H LEU A 47 -4.034 1.588 -9.406 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.534 1.696 -11.785 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.009 -0.109 -9.581 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.066 -1.017 -11.078 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.802 -0.964 -10.012 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.411 -0.426 -12.108 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.079 -1.339 -12.447 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.029 0.419 -12.724 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.505 1.137 -10.163 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.933 1.987 -10.778 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.920 1.344 -9.118 1.00 0.00 H new ATOM 748 N LYS A 48 -5.499 0.270 -11.989 1.00 0.00 N ATOM 749 CA LYS A 48 -6.517 -0.203 -12.922 1.00 0.00 C ATOM 750 C LYS A 48 -6.991 0.944 -13.807 1.00 0.00 C ATOM 751 O LYS A 48 -7.248 0.765 -14.998 1.00 0.00 O ATOM 752 CB LYS A 48 -7.719 -0.771 -12.163 1.00 0.00 C ATOM 753 CG LYS A 48 -7.511 -2.266 -11.911 1.00 0.00 C ATOM 754 CD LYS A 48 -8.763 -2.851 -11.251 1.00 0.00 C ATOM 755 CE LYS A 48 -8.941 -2.241 -9.860 1.00 0.00 C ATOM 756 NZ LYS A 48 -9.990 -2.959 -9.081 1.00 0.00 N ATOM 0 H LYS A 48 -5.800 0.310 -11.015 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.074 -0.986 -13.537 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.844 -0.247 -11.216 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.632 -0.613 -12.737 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.309 -2.779 -12.851 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.643 -2.420 -11.270 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.640 -2.645 -11.865 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.674 -3.935 -11.175 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.995 -2.280 -9.320 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.212 -1.189 -9.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.470 -2.290 -8.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.684 -3.374 -9.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.549 -3.714 -8.519 1.00 0.00 H new ATOM 770 N ARG A 49 -7.108 2.128 -13.208 1.00 0.00 N ATOM 771 CA ARG A 49 -7.559 3.304 -13.949 1.00 0.00 C ATOM 772 C ARG A 49 -6.469 3.797 -14.897 1.00 0.00 C ATOM 773 O ARG A 49 -6.746 4.209 -16.024 1.00 0.00 O ATOM 774 CB ARG A 49 -7.925 4.434 -12.984 1.00 0.00 C ATOM 775 CG ARG A 49 -9.309 4.168 -12.390 1.00 0.00 C ATOM 776 CD ARG A 49 -9.524 5.069 -11.173 1.00 0.00 C ATOM 777 NE ARG A 49 -9.424 6.476 -11.549 1.00 0.00 N ATOM 778 CZ ARG A 49 -8.695 7.327 -10.832 1.00 0.00 C ATOM 779 NH1 ARG A 49 -9.099 7.694 -9.647 1.00 0.00 N ATOM 780 NH2 ARG A 49 -7.576 7.795 -11.314 1.00 0.00 N ATOM 0 H ARG A 49 -6.900 2.298 -12.224 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.437 3.017 -14.528 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.183 4.502 -12.189 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.920 5.390 -13.508 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.080 4.358 -13.137 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.397 3.121 -12.101 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.504 4.873 -10.737 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -8.783 4.838 -10.408 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.921 6.812 -12.374 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.974 7.328 -9.270 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.540 8.346 -9.097 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.260 7.508 -12.241 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.017 8.448 -10.764 1.00 0.00 H new ATOM 794 N ALA A 50 -5.226 3.753 -14.426 1.00 0.00 N ATOM 795 CA ALA A 50 -4.094 4.201 -15.237 1.00 0.00 C ATOM 796 C ALA A 50 -3.997 3.394 -16.530 1.00 0.00 C ATOM 797 O ALA A 50 -3.527 3.891 -17.553 1.00 0.00 O ATOM 798 CB ALA A 50 -2.787 4.051 -14.458 1.00 0.00 C ATOM 0 H ALA A 50 -4.976 3.415 -13.496 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.257 5.251 -15.482 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.955 4.389 -15.075 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.833 4.653 -13.550 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.640 3.004 -14.192 1.00 0.00 H new ATOM 804 N GLY A 51 -4.443 2.142 -16.472 1.00 0.00 N ATOM 805 CA GLY A 51 -4.398 1.274 -17.642 1.00 0.00 C ATOM 806 C GLY A 51 -3.115 0.450 -17.654 1.00 0.00 C ATOM 807 O GLY A 51 -2.578 0.123 -18.712 1.00 0.00 O ATOM 0 H GLY A 51 -4.836 1.710 -15.636 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.262 0.610 -17.642 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.458 1.875 -18.549 1.00 0.00 H new ATOM 811 N PHE A 52 -2.634 0.116 -16.460 1.00 0.00 N ATOM 812 CA PHE A 52 -1.412 -0.673 -16.332 1.00 0.00 C ATOM 813 C PHE A 52 -1.756 -2.135 -16.069 1.00 0.00 C ATOM 814 O PHE A 52 -1.133 -3.045 -16.617 1.00 0.00 O ATOM 815 CB PHE A 52 -0.557 -0.146 -15.178 1.00 0.00 C ATOM 816 CG PHE A 52 0.394 0.910 -15.690 1.00 0.00 C ATOM 817 CD1 PHE A 52 1.263 0.621 -16.749 1.00 0.00 C ATOM 818 CD2 PHE A 52 0.407 2.182 -15.103 1.00 0.00 C ATOM 819 CE1 PHE A 52 2.143 1.602 -17.221 1.00 0.00 C ATOM 820 CE2 PHE A 52 1.287 3.162 -15.575 1.00 0.00 C ATOM 821 CZ PHE A 52 2.155 2.873 -16.635 1.00 0.00 C ATOM 0 H PHE A 52 -3.067 0.376 -15.574 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.853 -0.591 -17.264 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.196 0.273 -14.401 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.003 -0.964 -14.724 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.254 -0.359 -17.202 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.263 2.406 -14.286 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.813 1.378 -18.038 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.297 4.142 -15.121 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.833 3.630 -17.000 1.00 0.00 H new ATOM 831 N ILE A 53 -2.758 -2.346 -15.223 1.00 0.00 N ATOM 832 CA ILE A 53 -3.190 -3.699 -14.883 1.00 0.00 C ATOM 833 C ILE A 53 -4.699 -3.835 -15.106 1.00 0.00 C ATOM 834 O ILE A 53 -5.455 -2.887 -14.899 1.00 0.00 O ATOM 835 CB ILE A 53 -2.835 -4.014 -13.421 1.00 0.00 C ATOM 836 CG1 ILE A 53 -3.212 -5.462 -13.097 1.00 0.00 C ATOM 837 CG2 ILE A 53 -3.586 -3.067 -12.480 1.00 0.00 C ATOM 838 CD1 ILE A 53 -2.555 -5.875 -11.777 1.00 0.00 C ATOM 0 H ILE A 53 -3.284 -1.604 -14.762 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.674 -4.411 -15.527 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.762 -3.878 -13.282 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.295 -5.560 -13.023 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.886 -6.123 -13.900 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.327 -3.299 -11.447 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.307 -2.037 -12.701 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.660 -3.190 -12.621 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.822 -6.906 -11.544 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.472 -5.793 -11.868 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.902 -5.221 -10.977 1.00 0.00 H new ATOM 850 N ASP A 54 -5.126 -5.019 -15.538 1.00 0.00 N ATOM 851 CA ASP A 54 -6.547 -5.253 -15.791 1.00 0.00 C ATOM 852 C ASP A 54 -7.245 -5.781 -14.543 1.00 0.00 C ATOM 853 O ASP A 54 -6.621 -6.376 -13.664 1.00 0.00 O ATOM 854 CB ASP A 54 -6.741 -6.254 -16.935 1.00 0.00 C ATOM 855 CG ASP A 54 -5.926 -7.518 -16.671 1.00 0.00 C ATOM 856 OD1 ASP A 54 -5.706 -7.833 -15.512 1.00 0.00 O ATOM 857 OD2 ASP A 54 -5.535 -8.154 -17.635 1.00 0.00 O ATOM 0 H ASP A 54 -4.521 -5.820 -15.718 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.988 -4.296 -16.070 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.797 -6.507 -17.032 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.433 -5.804 -17.879 1.00 0.00 H new ATOM 862 N ALA A 55 -8.556 -5.552 -14.482 1.00 0.00 N ATOM 863 CA ALA A 55 -9.364 -5.998 -13.344 1.00 0.00 C ATOM 864 C ALA A 55 -9.206 -7.500 -13.088 1.00 0.00 C ATOM 865 O ALA A 55 -9.476 -7.980 -11.987 1.00 0.00 O ATOM 866 CB ALA A 55 -10.841 -5.694 -13.594 1.00 0.00 C ATOM 0 H ALA A 55 -9.082 -5.061 -15.205 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.010 -5.456 -12.467 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.431 -6.030 -12.741 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.974 -4.620 -13.727 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.173 -6.215 -14.492 1.00 0.00 H new ATOM 872 N SER A 56 -8.779 -8.244 -14.111 1.00 0.00 N ATOM 873 CA SER A 56 -8.609 -9.690 -13.966 1.00 0.00 C ATOM 874 C SER A 56 -7.193 -10.054 -13.506 1.00 0.00 C ATOM 875 O SER A 56 -6.751 -11.190 -13.677 1.00 0.00 O ATOM 876 CB SER A 56 -8.892 -10.394 -15.294 1.00 0.00 C ATOM 877 OG SER A 56 -10.293 -10.577 -15.440 1.00 0.00 O ATOM 0 H SER A 56 -8.548 -7.876 -15.034 1.00 0.00 H new ATOM 0 HA SER A 56 -9.318 -10.021 -13.207 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.503 -9.802 -16.122 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.383 -11.357 -15.324 1.00 0.00 H new ATOM 0 HG SER A 56 -10.477 -11.026 -16.291 1.00 0.00 H new ATOM 883 N GLY A 57 -6.485 -9.089 -12.915 1.00 0.00 N ATOM 884 CA GLY A 57 -5.127 -9.337 -12.431 1.00 0.00 C ATOM 885 C GLY A 57 -4.217 -9.828 -13.553 1.00 0.00 C ATOM 886 O GLY A 57 -4.150 -11.021 -13.843 1.00 0.00 O ATOM 0 H GLY A 57 -6.825 -8.140 -12.762 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.719 -8.421 -12.004 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.154 -10.078 -11.632 1.00 0.00 H new ATOM 890 N GLU A 58 -3.512 -8.887 -14.171 1.00 0.00 N ATOM 891 CA GLU A 58 -2.594 -9.218 -15.258 1.00 0.00 C ATOM 892 C GLU A 58 -1.583 -8.091 -15.442 1.00 0.00 C ATOM 893 O GLU A 58 -1.898 -7.040 -15.998 1.00 0.00 O ATOM 894 CB GLU A 58 -3.359 -9.428 -16.566 1.00 0.00 C ATOM 895 CG GLU A 58 -2.668 -10.512 -17.397 1.00 0.00 C ATOM 896 CD GLU A 58 -1.291 -10.020 -17.832 1.00 0.00 C ATOM 897 OE1 GLU A 58 -1.208 -9.400 -18.879 1.00 0.00 O ATOM 898 OE2 GLU A 58 -0.339 -10.273 -17.111 1.00 0.00 O ATOM 0 H GLU A 58 -3.557 -7.894 -13.941 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.075 -10.141 -15.000 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.388 -9.718 -16.354 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.400 -8.495 -17.129 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.571 -11.427 -16.812 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.272 -10.755 -18.271 1.00 0.00 H new ATOM 905 N PHE A 59 -0.367 -8.320 -14.957 1.00 0.00 N ATOM 906 CA PHE A 59 0.685 -7.310 -15.061 1.00 0.00 C ATOM 907 C PHE A 59 1.097 -7.095 -16.515 1.00 0.00 C ATOM 908 O PHE A 59 1.223 -8.041 -17.292 1.00 0.00 O ATOM 909 CB PHE A 59 1.918 -7.715 -14.242 1.00 0.00 C ATOM 910 CG PHE A 59 2.315 -9.141 -14.556 1.00 0.00 C ATOM 911 CD1 PHE A 59 2.997 -9.434 -15.744 1.00 0.00 C ATOM 912 CD2 PHE A 59 2.004 -10.168 -13.657 1.00 0.00 C ATOM 913 CE1 PHE A 59 3.367 -10.753 -16.031 1.00 0.00 C ATOM 914 CE2 PHE A 59 2.374 -11.487 -13.946 1.00 0.00 C ATOM 915 CZ PHE A 59 3.055 -11.779 -15.133 1.00 0.00 C ATOM 0 H PHE A 59 -0.086 -9.184 -14.493 1.00 0.00 H new ATOM 0 HA PHE A 59 0.280 -6.379 -14.663 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.747 -7.043 -14.464 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.704 -7.616 -13.178 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.237 -8.642 -16.438 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.479 -9.943 -12.741 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.894 -10.979 -16.946 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.134 -12.279 -13.253 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.340 -12.797 -15.356 1.00 0.00 H new ATOM 925 N GLN A 60 1.311 -5.829 -16.865 1.00 0.00 N ATOM 926 CA GLN A 60 1.721 -5.471 -18.221 1.00 0.00 C ATOM 927 C GLN A 60 2.992 -4.629 -18.165 1.00 0.00 C ATOM 928 O GLN A 60 2.947 -3.401 -18.218 1.00 0.00 O ATOM 929 CB GLN A 60 0.620 -4.671 -18.923 1.00 0.00 C ATOM 930 CG GLN A 60 -0.349 -5.634 -19.612 1.00 0.00 C ATOM 931 CD GLN A 60 -1.757 -5.048 -19.579 1.00 0.00 C ATOM 932 OE1 GLN A 60 -1.986 -3.938 -20.061 1.00 0.00 O ATOM 933 NE2 GLN A 60 -2.723 -5.734 -19.034 1.00 0.00 N ATOM 0 H GLN A 60 1.208 -5.036 -16.231 1.00 0.00 H new ATOM 0 HA GLN A 60 1.905 -6.388 -18.781 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.085 -4.056 -18.200 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.059 -3.993 -19.655 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.038 -5.804 -20.643 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.334 -6.602 -19.111 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.533 -6.653 -18.635 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.668 -5.351 -19.007 1.00 0.00 H new ATOM 942 N LEU A 61 4.125 -5.311 -18.035 1.00 0.00 N ATOM 943 CA LEU A 61 5.415 -4.633 -17.946 1.00 0.00 C ATOM 944 C LEU A 61 5.810 -3.995 -19.277 1.00 0.00 C ATOM 945 O LEU A 61 6.564 -3.022 -19.310 1.00 0.00 O ATOM 946 CB LEU A 61 6.500 -5.626 -17.530 1.00 0.00 C ATOM 947 CG LEU A 61 6.115 -6.583 -16.397 1.00 0.00 C ATOM 948 CD1 LEU A 61 7.328 -7.429 -16.009 1.00 0.00 C ATOM 949 CD2 LEU A 61 5.647 -5.778 -15.180 1.00 0.00 C ATOM 0 H LEU A 61 4.177 -6.329 -17.989 1.00 0.00 H new ATOM 0 HA LEU A 61 5.319 -3.845 -17.199 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.782 -6.217 -18.402 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.384 -5.066 -17.225 1.00 0.00 H new ATOM 0 HG LEU A 61 5.308 -7.234 -16.734 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.054 -8.110 -15.203 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.661 -8.005 -16.873 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.135 -6.777 -15.674 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.374 -6.461 -14.375 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.453 -5.125 -14.844 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.781 -5.175 -15.454 1.00 0.00 H new ATOM 961 N ASP A 62 5.302 -4.549 -20.375 1.00 0.00 N ATOM 962 CA ASP A 62 5.624 -4.018 -21.698 1.00 0.00 C ATOM 963 C ASP A 62 5.198 -2.554 -21.821 1.00 0.00 C ATOM 964 O ASP A 62 5.787 -1.785 -22.581 1.00 0.00 O ATOM 965 CB ASP A 62 4.925 -4.831 -22.789 1.00 0.00 C ATOM 966 CG ASP A 62 5.780 -6.043 -23.147 1.00 0.00 C ATOM 967 OD1 ASP A 62 6.964 -5.859 -23.378 1.00 0.00 O ATOM 968 OD2 ASP A 62 5.239 -7.135 -23.186 1.00 0.00 O ATOM 0 H ASP A 62 4.675 -5.353 -20.377 1.00 0.00 H new ATOM 0 HA ASP A 62 6.704 -4.088 -21.824 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.943 -5.155 -22.444 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.764 -4.212 -23.672 1.00 0.00 H new ATOM 973 N HIS A 63 4.169 -2.176 -21.066 1.00 0.00 N ATOM 974 CA HIS A 63 3.674 -0.802 -21.103 1.00 0.00 C ATOM 975 C HIS A 63 4.334 0.036 -20.009 1.00 0.00 C ATOM 976 O HIS A 63 4.556 1.236 -20.175 1.00 0.00 O ATOM 977 CB HIS A 63 2.159 -0.773 -20.904 1.00 0.00 C ATOM 978 CG HIS A 63 1.593 0.475 -21.526 1.00 0.00 C ATOM 979 ND1 HIS A 63 0.772 0.436 -22.641 1.00 0.00 N ATOM 980 CD2 HIS A 63 1.721 1.802 -21.199 1.00 0.00 C ATOM 981 CE1 HIS A 63 0.440 1.705 -22.944 1.00 0.00 C ATOM 982 NE2 HIS A 63 0.993 2.577 -22.096 1.00 0.00 N ATOM 0 H HIS A 63 3.667 -2.793 -20.428 1.00 0.00 H new ATOM 0 HA HIS A 63 3.921 -0.384 -22.079 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.706 -1.655 -21.356 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.921 -0.802 -19.841 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.299 2.186 -20.371 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.196 1.984 -23.771 1.00 0.00 H new ATOM 0 HE2 HIS A 63 0.901 3.593 -22.105 1.00 0.00 H new ATOM 990 N ILE A 64 4.640 -0.611 -18.888 1.00 0.00 N ATOM 991 CA ILE A 64 5.270 0.081 -17.765 1.00 0.00 C ATOM 992 C ILE A 64 6.698 0.486 -18.117 1.00 0.00 C ATOM 993 O ILE A 64 7.090 1.641 -17.947 1.00 0.00 O ATOM 994 CB ILE A 64 5.301 -0.824 -16.528 1.00 0.00 C ATOM 995 CG1 ILE A 64 3.884 -1.310 -16.214 1.00 0.00 C ATOM 996 CG2 ILE A 64 5.843 -0.046 -15.325 1.00 0.00 C ATOM 997 CD1 ILE A 64 3.951 -2.607 -15.403 1.00 0.00 C ATOM 0 H ILE A 64 4.465 -1.604 -18.732 1.00 0.00 H new ATOM 0 HA ILE A 64 4.683 0.974 -17.550 1.00 0.00 H new ATOM 0 HB ILE A 64 5.948 -1.678 -16.729 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.343 -0.547 -15.654 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.333 -1.477 -17.140 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.862 -0.696 -14.450 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.853 0.301 -15.541 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.200 0.811 -15.126 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.940 -2.950 -15.181 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.475 -3.370 -15.979 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.485 -2.426 -14.470 1.00 0.00 H new ATOM 1009 N LYS A 65 7.478 -0.483 -18.593 1.00 0.00 N ATOM 1010 CA LYS A 65 8.875 -0.228 -18.949 1.00 0.00 C ATOM 1011 C LYS A 65 8.998 0.956 -19.911 1.00 0.00 C ATOM 1012 O LYS A 65 9.866 1.813 -19.752 1.00 0.00 O ATOM 1013 CB LYS A 65 9.501 -1.478 -19.584 1.00 0.00 C ATOM 1014 CG LYS A 65 8.794 -1.822 -20.903 1.00 0.00 C ATOM 1015 CD LYS A 65 9.078 -3.282 -21.279 1.00 0.00 C ATOM 1016 CE LYS A 65 10.584 -3.488 -21.472 1.00 0.00 C ATOM 1017 NZ LYS A 65 10.865 -4.472 -22.556 1.00 0.00 N ATOM 0 H LYS A 65 7.171 -1.444 -18.741 1.00 0.00 H new ATOM 0 HA LYS A 65 9.410 0.018 -18.032 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.562 -1.308 -19.767 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.427 -2.319 -18.895 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.720 -1.665 -20.802 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.140 -1.159 -21.696 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.709 -3.946 -20.498 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.547 -3.541 -22.195 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.055 -2.535 -21.713 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.027 -3.836 -20.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.893 -4.589 -22.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.436 -5.388 -22.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.462 -4.127 -23.451 1.00 0.00 H new ATOM 1031 N THR A 66 8.119 0.991 -20.908 1.00 0.00 N ATOM 1032 CA THR A 66 8.137 2.071 -21.892 1.00 0.00 C ATOM 1033 C THR A 66 7.940 3.428 -21.218 1.00 0.00 C ATOM 1034 O THR A 66 8.604 4.407 -21.559 1.00 0.00 O ATOM 1035 CB THR A 66 7.028 1.868 -22.928 1.00 0.00 C ATOM 1036 OG1 THR A 66 6.908 0.484 -23.226 1.00 0.00 O ATOM 1037 CG2 THR A 66 7.368 2.642 -24.202 1.00 0.00 C ATOM 0 H THR A 66 7.391 0.292 -21.056 1.00 0.00 H new ATOM 0 HA THR A 66 9.109 2.053 -22.384 1.00 0.00 H new ATOM 0 HB THR A 66 6.083 2.235 -22.527 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.216 0.086 -22.658 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.577 2.496 -24.938 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.457 3.703 -23.970 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.313 2.279 -24.607 1.00 0.00 H new ATOM 1045 N LYS A 67 7.015 3.475 -20.263 1.00 0.00 N ATOM 1046 CA LYS A 67 6.729 4.718 -19.550 1.00 0.00 C ATOM 1047 C LYS A 67 7.932 5.164 -18.723 1.00 0.00 C ATOM 1048 O LYS A 67 8.354 6.318 -18.787 1.00 0.00 O ATOM 1049 CB LYS A 67 5.527 4.537 -18.622 1.00 0.00 C ATOM 1050 CG LYS A 67 4.236 4.796 -19.401 1.00 0.00 C ATOM 1051 CD LYS A 67 3.946 6.297 -19.425 1.00 0.00 C ATOM 1052 CE LYS A 67 2.518 6.534 -19.921 1.00 0.00 C ATOM 1053 NZ LYS A 67 1.960 7.808 -19.384 1.00 0.00 N ATOM 0 H LYS A 67 6.455 2.676 -19.967 1.00 0.00 H new ATOM 0 HA LYS A 67 6.506 5.481 -20.295 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.520 3.527 -18.212 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.599 5.223 -17.778 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.331 4.417 -20.419 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.406 4.262 -18.938 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.070 6.718 -18.427 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.657 6.805 -20.076 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.510 6.562 -21.011 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.883 5.701 -19.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.991 7.939 -19.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.946 7.770 -18.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.553 8.604 -19.693 1.00 0.00 H new ATOM 1067 N PHE A 68 8.476 4.238 -17.939 1.00 0.00 N ATOM 1068 CA PHE A 68 9.627 4.550 -17.096 1.00 0.00 C ATOM 1069 C PHE A 68 10.870 4.820 -17.945 1.00 0.00 C ATOM 1070 O PHE A 68 11.778 5.538 -17.524 1.00 0.00 O ATOM 1071 CB PHE A 68 9.918 3.390 -16.142 1.00 0.00 C ATOM 1072 CG PHE A 68 9.113 3.559 -14.876 1.00 0.00 C ATOM 1073 CD1 PHE A 68 7.718 3.453 -14.913 1.00 0.00 C ATOM 1074 CD2 PHE A 68 9.764 3.819 -13.664 1.00 0.00 C ATOM 1075 CE1 PHE A 68 6.973 3.607 -13.736 1.00 0.00 C ATOM 1076 CE2 PHE A 68 9.019 3.973 -12.488 1.00 0.00 C ATOM 1077 CZ PHE A 68 7.623 3.867 -12.525 1.00 0.00 C ATOM 0 H PHE A 68 8.144 3.276 -17.869 1.00 0.00 H new ATOM 0 HA PHE A 68 9.385 5.445 -16.523 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.669 2.442 -16.619 1.00 0.00 H new ATOM 0 HB3 PHE A 68 10.982 3.358 -15.907 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.216 3.253 -15.848 1.00 0.00 H new ATOM 0 HD2 PHE A 68 10.841 3.901 -13.636 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.896 3.525 -13.764 1.00 0.00 H new ATOM 0 HE2 PHE A 68 9.521 4.173 -11.553 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.048 3.986 -11.618 1.00 0.00 H new ATOM 1087 N LYS A 69 10.908 4.234 -19.141 1.00 0.00 N ATOM 1088 CA LYS A 69 12.053 4.418 -20.031 1.00 0.00 C ATOM 1089 C LYS A 69 12.043 5.810 -20.656 1.00 0.00 C ATOM 1090 O LYS A 69 13.036 6.535 -20.601 1.00 0.00 O ATOM 1091 CB LYS A 69 12.038 3.374 -21.149 1.00 0.00 C ATOM 1092 CG LYS A 69 13.427 3.290 -21.784 1.00 0.00 C ATOM 1093 CD LYS A 69 13.390 2.319 -22.966 1.00 0.00 C ATOM 1094 CE LYS A 69 14.724 1.575 -23.058 1.00 0.00 C ATOM 1095 NZ LYS A 69 14.567 0.258 -23.737 1.00 0.00 N ATOM 0 H LYS A 69 10.170 3.636 -19.512 1.00 0.00 H new ATOM 0 HA LYS A 69 12.955 4.301 -19.431 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.749 2.402 -20.750 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.297 3.642 -21.902 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.745 4.277 -22.120 1.00 0.00 H new ATOM 0 HG3 LYS A 69 14.156 2.954 -21.046 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.573 1.608 -22.841 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.200 2.863 -23.891 1.00 0.00 H new ATOM 0 HE2 LYS A 69 15.445 2.184 -23.604 1.00 0.00 H new ATOM 0 HE3 LYS A 69 15.128 1.424 -22.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.489 -0.221 -23.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.897 -0.331 -23.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.205 0.405 -24.701 1.00 0.00 H new ATOM 1109 N GLU A 70 10.912 6.175 -21.261 1.00 0.00 N ATOM 1110 CA GLU A 70 10.783 7.486 -21.909 1.00 0.00 C ATOM 1111 C GLU A 70 11.163 8.614 -20.948 1.00 0.00 C ATOM 1112 O GLU A 70 10.977 8.508 -19.737 1.00 0.00 O ATOM 1113 CB GLU A 70 9.348 7.706 -22.397 1.00 0.00 C ATOM 1114 CG GLU A 70 8.375 7.568 -21.225 1.00 0.00 C ATOM 1115 CD GLU A 70 7.151 8.443 -21.473 1.00 0.00 C ATOM 1116 OE1 GLU A 70 6.532 8.279 -22.512 1.00 0.00 O ATOM 1117 OE2 GLU A 70 6.851 9.263 -20.622 1.00 0.00 O ATOM 0 H GLU A 70 10.078 5.590 -21.317 1.00 0.00 H new ATOM 0 HA GLU A 70 11.464 7.500 -22.760 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.254 8.695 -22.845 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.103 6.980 -23.173 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.073 6.527 -21.110 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.864 7.863 -20.296 1.00 0.00 H new ATOM 1124 N ASN A 71 11.703 9.693 -21.510 1.00 0.00 N ATOM 1125 CA ASN A 71 12.116 10.839 -20.700 1.00 0.00 C ATOM 1126 C ASN A 71 13.207 10.424 -19.716 1.00 0.00 C ATOM 1127 O ASN A 71 12.976 10.316 -18.510 1.00 0.00 O ATOM 1128 CB ASN A 71 10.923 11.411 -19.928 1.00 0.00 C ATOM 1129 CG ASN A 71 11.330 12.717 -19.253 1.00 0.00 C ATOM 1130 OD1 ASN A 71 11.904 13.599 -19.892 1.00 0.00 O ATOM 1131 ND2 ASN A 71 11.065 12.893 -17.989 1.00 0.00 N ATOM 0 H ASN A 71 11.864 9.799 -22.512 1.00 0.00 H new ATOM 0 HA ASN A 71 12.506 11.606 -21.369 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.088 11.585 -20.606 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.583 10.694 -19.181 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.333 13.762 -17.528 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.589 12.161 -17.461 1.00 0.00 H new ATOM 1138 N SER A 72 14.404 10.189 -20.247 1.00 0.00 N ATOM 1139 CA SER A 72 15.532 9.783 -19.413 1.00 0.00 C ATOM 1140 C SER A 72 16.850 10.031 -20.143 1.00 0.00 C ATOM 1141 O SER A 72 16.886 10.671 -21.195 1.00 0.00 O ATOM 1142 CB SER A 72 15.421 8.291 -19.056 1.00 0.00 C ATOM 1143 OG SER A 72 15.683 8.122 -17.669 1.00 0.00 O ATOM 0 H SER A 72 14.617 10.272 -21.241 1.00 0.00 H new ATOM 0 HA SER A 72 15.511 10.376 -18.498 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.425 7.920 -19.298 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.130 7.710 -19.646 1.00 0.00 H new ATOM 0 HG SER A 72 15.612 7.173 -17.436 1.00 0.00 H new ATOM 1149 N GLU A 73 17.929 9.507 -19.574 1.00 0.00 N ATOM 1150 CA GLU A 73 19.255 9.657 -20.169 1.00 0.00 C ATOM 1151 C GLU A 73 20.163 8.491 -19.765 1.00 0.00 C ATOM 1152 O GLU A 73 21.389 8.597 -19.803 1.00 0.00 O ATOM 1153 CB GLU A 73 19.900 10.969 -19.717 1.00 0.00 C ATOM 1154 CG GLU A 73 19.025 12.146 -20.156 1.00 0.00 C ATOM 1155 CD GLU A 73 19.828 13.438 -20.066 1.00 0.00 C ATOM 1156 OE1 GLU A 73 20.330 13.730 -18.993 1.00 0.00 O ATOM 1157 OE2 GLU A 73 19.931 14.120 -21.074 1.00 0.00 O ATOM 0 H GLU A 73 17.914 8.975 -18.704 1.00 0.00 H new ATOM 0 HA GLU A 73 19.135 9.664 -21.252 1.00 0.00 H new ATOM 0 HB2 GLU A 73 20.018 10.974 -18.633 1.00 0.00 H new ATOM 0 HB3 GLU A 73 20.897 11.063 -20.147 1.00 0.00 H new ATOM 0 HG2 GLU A 73 18.676 11.993 -21.177 1.00 0.00 H new ATOM 0 HG3 GLU A 73 18.140 12.211 -19.523 1.00 0.00 H new ATOM 1164 N HIS A 74 19.539 7.371 -19.394 1.00 0.00 N ATOM 1165 CA HIS A 74 20.271 6.174 -19.002 1.00 0.00 C ATOM 1166 C HIS A 74 19.363 4.955 -19.200 1.00 0.00 C ATOM 1167 O HIS A 74 19.150 4.165 -18.277 1.00 0.00 O ATOM 1168 CB HIS A 74 20.700 6.261 -17.533 1.00 0.00 C ATOM 1169 CG HIS A 74 21.665 7.401 -17.355 1.00 0.00 C ATOM 1170 ND1 HIS A 74 22.925 7.401 -17.934 1.00 0.00 N ATOM 1171 CD2 HIS A 74 21.569 8.585 -16.667 1.00 0.00 C ATOM 1172 CE1 HIS A 74 23.530 8.551 -17.586 1.00 0.00 C ATOM 1173 NE2 HIS A 74 22.748 9.310 -16.814 1.00 0.00 N ATOM 0 H HIS A 74 18.524 7.272 -19.358 1.00 0.00 H new ATOM 0 HA HIS A 74 21.166 6.083 -19.617 1.00 0.00 H new ATOM 0 HB2 HIS A 74 19.827 6.408 -16.897 1.00 0.00 H new ATOM 0 HB3 HIS A 74 21.166 5.325 -17.224 1.00 0.00 H new ATOM 0 HD2 HIS A 74 20.709 8.905 -16.098 1.00 0.00 H new ATOM 0 HE1 HIS A 74 24.528 8.827 -17.894 1.00 0.00 H new ATOM 0 HE2 HIS A 74 22.967 10.224 -16.418 1.00 0.00 H new ATOM 1181 N PRO A 75 18.794 4.800 -20.406 1.00 0.00 N ATOM 1182 CA PRO A 75 17.884 3.686 -20.706 1.00 0.00 C ATOM 1183 C PRO A 75 18.595 2.335 -20.730 1.00 0.00 C ATOM 1184 O PRO A 75 19.009 1.853 -21.783 1.00 0.00 O ATOM 1185 CB PRO A 75 17.329 4.024 -22.089 1.00 0.00 C ATOM 1186 CG PRO A 75 18.354 4.906 -22.707 1.00 0.00 C ATOM 1187 CD PRO A 75 18.983 5.672 -21.582 1.00 0.00 C ATOM 0 HA PRO A 75 17.114 3.585 -19.941 1.00 0.00 H new ATOM 0 HB2 PRO A 75 17.173 3.123 -22.683 1.00 0.00 H new ATOM 0 HB3 PRO A 75 16.366 4.529 -22.016 1.00 0.00 H new ATOM 0 HG2 PRO A 75 19.100 4.319 -23.243 1.00 0.00 H new ATOM 0 HG3 PRO A 75 17.900 5.582 -23.431 1.00 0.00 H new ATOM 0 HD2 PRO A 75 20.039 5.864 -21.771 1.00 0.00 H new ATOM 0 HD3 PRO A 75 18.504 6.641 -21.442 1.00 0.00 H new ATOM 1195 N GLU A 76 18.732 1.733 -19.551 1.00 0.00 N ATOM 1196 CA GLU A 76 19.395 0.435 -19.439 1.00 0.00 C ATOM 1197 C GLU A 76 19.373 -0.045 -17.988 1.00 0.00 C ATOM 1198 O GLU A 76 20.381 -0.506 -17.451 1.00 0.00 O ATOM 1199 CB GLU A 76 20.848 0.532 -19.922 1.00 0.00 C ATOM 1200 CG GLU A 76 21.561 1.693 -19.211 1.00 0.00 C ATOM 1201 CD GLU A 76 22.014 2.732 -20.236 1.00 0.00 C ATOM 1202 OE1 GLU A 76 21.179 3.508 -20.670 1.00 0.00 O ATOM 1203 OE2 GLU A 76 23.186 2.733 -20.569 1.00 0.00 O ATOM 0 H GLU A 76 18.397 2.118 -18.668 1.00 0.00 H new ATOM 0 HA GLU A 76 18.858 -0.279 -20.064 1.00 0.00 H new ATOM 0 HB2 GLU A 76 21.370 -0.404 -19.722 1.00 0.00 H new ATOM 0 HB3 GLU A 76 20.872 0.686 -21.001 1.00 0.00 H new ATOM 0 HG2 GLU A 76 20.890 2.154 -18.486 1.00 0.00 H new ATOM 0 HG3 GLU A 76 22.421 1.318 -18.656 1.00 0.00 H new ATOM 1210 N LYS A 77 18.206 0.071 -17.361 1.00 0.00 N ATOM 1211 CA LYS A 77 18.054 -0.351 -15.969 1.00 0.00 C ATOM 1212 C LYS A 77 16.597 -0.686 -15.661 1.00 0.00 C ATOM 1213 O LYS A 77 16.299 -1.697 -15.024 1.00 0.00 O ATOM 1214 CB LYS A 77 18.523 0.756 -15.023 1.00 0.00 C ATOM 1215 CG LYS A 77 20.043 0.904 -15.121 1.00 0.00 C ATOM 1216 CD LYS A 77 20.557 1.714 -13.929 1.00 0.00 C ATOM 1217 CE LYS A 77 22.066 1.925 -14.069 1.00 0.00 C ATOM 1218 NZ LYS A 77 22.727 2.030 -12.738 1.00 0.00 N ATOM 0 H LYS A 77 17.360 0.449 -17.787 1.00 0.00 H new ATOM 0 HA LYS A 77 18.665 -1.241 -15.821 1.00 0.00 H new ATOM 0 HB2 LYS A 77 18.038 1.698 -15.280 1.00 0.00 H new ATOM 0 HB3 LYS A 77 18.236 0.519 -13.999 1.00 0.00 H new ATOM 0 HG2 LYS A 77 20.514 -0.079 -15.136 1.00 0.00 H new ATOM 0 HG3 LYS A 77 20.311 1.400 -16.054 1.00 0.00 H new ATOM 0 HD2 LYS A 77 20.047 2.676 -13.882 1.00 0.00 H new ATOM 0 HD3 LYS A 77 20.337 1.191 -12.998 1.00 0.00 H new ATOM 0 HE2 LYS A 77 22.500 1.096 -14.628 1.00 0.00 H new ATOM 0 HE3 LYS A 77 22.256 2.831 -14.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 23.749 2.173 -12.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 22.329 2.836 -12.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 22.565 1.155 -12.200 1.00 0.00 H new ATOM 1232 N VAL A 78 15.689 0.176 -16.121 1.00 0.00 N ATOM 1233 CA VAL A 78 14.258 -0.030 -15.890 1.00 0.00 C ATOM 1234 C VAL A 78 13.811 -1.391 -16.440 1.00 0.00 C ATOM 1235 O VAL A 78 12.961 -2.059 -15.854 1.00 0.00 O ATOM 1236 CB VAL A 78 13.451 1.099 -16.559 1.00 0.00 C ATOM 1237 CG1 VAL A 78 11.943 0.857 -16.414 1.00 0.00 C ATOM 1238 CG2 VAL A 78 13.799 2.430 -15.889 1.00 0.00 C ATOM 0 H VAL A 78 15.916 1.017 -16.652 1.00 0.00 H new ATOM 0 HA VAL A 78 14.075 -0.015 -14.816 1.00 0.00 H new ATOM 0 HB VAL A 78 13.705 1.122 -17.619 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.396 1.668 -16.895 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.679 -0.089 -16.887 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.681 0.819 -15.357 1.00 0.00 H new ATOM 0 HG21 VAL A 78 13.231 3.233 -16.358 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.549 2.380 -14.829 1.00 0.00 H new ATOM 0 HG23 VAL A 78 14.865 2.626 -16.002 1.00 0.00 H new ATOM 1248 N ASP A 79 14.386 -1.790 -17.575 1.00 0.00 N ATOM 1249 CA ASP A 79 14.025 -3.073 -18.197 1.00 0.00 C ATOM 1250 C ASP A 79 14.073 -4.222 -17.184 1.00 0.00 C ATOM 1251 O ASP A 79 13.071 -4.899 -16.953 1.00 0.00 O ATOM 1252 CB ASP A 79 14.947 -3.403 -19.387 1.00 0.00 C ATOM 1253 CG ASP A 79 16.395 -3.023 -19.074 1.00 0.00 C ATOM 1254 OD1 ASP A 79 16.658 -1.842 -18.923 1.00 0.00 O ATOM 1255 OD2 ASP A 79 17.217 -3.921 -18.993 1.00 0.00 O ATOM 0 H ASP A 79 15.094 -1.256 -18.079 1.00 0.00 H new ATOM 0 HA ASP A 79 13.003 -2.966 -18.561 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.887 -4.467 -19.615 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.609 -2.867 -20.274 1.00 0.00 H new ATOM 1260 N ASP A 80 15.238 -4.431 -16.578 1.00 0.00 N ATOM 1261 CA ASP A 80 15.389 -5.495 -15.588 1.00 0.00 C ATOM 1262 C ASP A 80 14.667 -5.131 -14.291 1.00 0.00 C ATOM 1263 O ASP A 80 14.186 -6.002 -13.566 1.00 0.00 O ATOM 1264 CB ASP A 80 16.869 -5.738 -15.283 1.00 0.00 C ATOM 1265 CG ASP A 80 17.564 -6.273 -16.530 1.00 0.00 C ATOM 1266 OD1 ASP A 80 17.537 -7.475 -16.731 1.00 0.00 O ATOM 1267 OD2 ASP A 80 18.115 -5.472 -17.267 1.00 0.00 O ATOM 0 H ASP A 80 16.082 -3.886 -16.751 1.00 0.00 H new ATOM 0 HA ASP A 80 14.950 -6.402 -16.004 1.00 0.00 H new ATOM 0 HB2 ASP A 80 17.342 -4.810 -14.960 1.00 0.00 H new ATOM 0 HB3 ASP A 80 16.970 -6.450 -14.464 1.00 0.00 H new ATOM 1272 N LEU A 81 14.610 -3.833 -14.004 1.00 0.00 N ATOM 1273 CA LEU A 81 13.962 -3.351 -12.786 1.00 0.00 C ATOM 1274 C LEU A 81 12.467 -3.671 -12.790 1.00 0.00 C ATOM 1275 O LEU A 81 11.913 -4.104 -11.781 1.00 0.00 O ATOM 1276 CB LEU A 81 14.143 -1.839 -12.654 1.00 0.00 C ATOM 1277 CG LEU A 81 14.177 -1.302 -11.222 1.00 0.00 C ATOM 1278 CD1 LEU A 81 15.420 -1.831 -10.505 1.00 0.00 C ATOM 1279 CD2 LEU A 81 14.220 0.227 -11.253 1.00 0.00 C ATOM 0 H LEU A 81 15.002 -3.099 -14.594 1.00 0.00 H new ATOM 0 HA LEU A 81 14.430 -3.858 -11.942 1.00 0.00 H new ATOM 0 HB2 LEU A 81 15.071 -1.557 -13.151 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.332 -1.345 -13.189 1.00 0.00 H new ATOM 0 HG LEU A 81 13.284 -1.632 -10.690 1.00 0.00 H new ATOM 0 HD11 LEU A 81 15.443 -1.447 -9.485 1.00 0.00 H new ATOM 0 HD12 LEU A 81 15.391 -2.920 -10.482 1.00 0.00 H new ATOM 0 HD13 LEU A 81 16.314 -1.503 -11.036 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.244 0.611 -10.233 1.00 0.00 H new ATOM 0 HD22 LEU A 81 15.113 0.555 -11.786 1.00 0.00 H new ATOM 0 HD23 LEU A 81 13.334 0.606 -11.762 1.00 0.00 H new ATOM 1291 N VAL A 82 11.819 -3.440 -13.928 1.00 0.00 N ATOM 1292 CA VAL A 82 10.381 -3.695 -14.044 1.00 0.00 C ATOM 1293 C VAL A 82 10.060 -5.162 -13.753 1.00 0.00 C ATOM 1294 O VAL A 82 9.217 -5.470 -12.913 1.00 0.00 O ATOM 1295 CB VAL A 82 9.887 -3.337 -15.454 1.00 0.00 C ATOM 1296 CG1 VAL A 82 8.369 -3.529 -15.544 1.00 0.00 C ATOM 1297 CG2 VAL A 82 10.230 -1.874 -15.765 1.00 0.00 C ATOM 0 H VAL A 82 12.258 -3.081 -14.776 1.00 0.00 H new ATOM 0 HA VAL A 82 9.872 -3.070 -13.310 1.00 0.00 H new ATOM 0 HB VAL A 82 10.376 -3.991 -16.176 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.029 -3.273 -16.547 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.121 -4.569 -15.331 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.877 -2.882 -14.818 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.879 -1.623 -16.766 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.746 -1.224 -15.036 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.310 -1.735 -15.714 1.00 0.00 H new ATOM 1307 N ALA A 83 10.728 -6.062 -14.466 1.00 0.00 N ATOM 1308 CA ALA A 83 10.491 -7.493 -14.285 1.00 0.00 C ATOM 1309 C ALA A 83 10.793 -7.925 -12.852 1.00 0.00 C ATOM 1310 O ALA A 83 10.051 -8.706 -12.255 1.00 0.00 O ATOM 1311 CB ALA A 83 11.366 -8.304 -15.242 1.00 0.00 C ATOM 0 H ALA A 83 11.431 -5.832 -15.168 1.00 0.00 H new ATOM 0 HA ALA A 83 9.439 -7.680 -14.498 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.178 -9.367 -15.095 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.129 -8.033 -16.271 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.416 -8.091 -15.044 1.00 0.00 H new ATOM 1317 N LYS A 84 11.898 -7.422 -12.312 1.00 0.00 N ATOM 1318 CA LYS A 84 12.303 -7.775 -10.952 1.00 0.00 C ATOM 1319 C LYS A 84 11.445 -7.064 -9.904 1.00 0.00 C ATOM 1320 O LYS A 84 11.326 -7.528 -8.769 1.00 0.00 O ATOM 1321 CB LYS A 84 13.769 -7.401 -10.724 1.00 0.00 C ATOM 1322 CG LYS A 84 14.393 -8.362 -9.711 1.00 0.00 C ATOM 1323 CD LYS A 84 15.869 -8.008 -9.514 1.00 0.00 C ATOM 1324 CE LYS A 84 16.012 -7.062 -8.320 1.00 0.00 C ATOM 1325 NZ LYS A 84 15.843 -5.639 -8.730 1.00 0.00 N ATOM 0 H LYS A 84 12.526 -6.774 -12.788 1.00 0.00 H new ATOM 0 HA LYS A 84 12.167 -8.851 -10.843 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.316 -7.444 -11.666 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.841 -6.376 -10.360 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.863 -8.300 -8.761 1.00 0.00 H new ATOM 0 HG3 LYS A 84 14.298 -9.390 -10.062 1.00 0.00 H new ATOM 0 HD2 LYS A 84 16.452 -8.914 -9.346 1.00 0.00 H new ATOM 0 HD3 LYS A 84 16.264 -7.537 -10.414 1.00 0.00 H new ATOM 0 HE2 LYS A 84 15.270 -7.315 -7.563 1.00 0.00 H new ATOM 0 HE3 LYS A 84 16.992 -7.196 -7.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 16.368 -5.024 -8.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 16.209 -5.510 -9.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 14.834 -5.388 -8.706 1.00 0.00 H new ATOM 1339 N CYS A 85 10.861 -5.929 -10.281 1.00 0.00 N ATOM 1340 CA CYS A 85 10.036 -5.167 -9.344 1.00 0.00 C ATOM 1341 C CYS A 85 8.573 -5.596 -9.417 1.00 0.00 C ATOM 1342 O CYS A 85 7.877 -5.637 -8.402 1.00 0.00 O ATOM 1343 CB CYS A 85 10.125 -3.672 -9.645 1.00 0.00 C ATOM 1344 SG CYS A 85 11.716 -3.034 -9.060 1.00 0.00 S ATOM 0 H CYS A 85 10.941 -5.521 -11.212 1.00 0.00 H new ATOM 0 HA CYS A 85 10.416 -5.367 -8.342 1.00 0.00 H new ATOM 0 HB2 CYS A 85 10.023 -3.499 -10.716 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.307 -3.142 -9.157 1.00 0.00 H new ATOM 1349 N ALA A 86 8.107 -5.903 -10.622 1.00 0.00 N ATOM 1350 CA ALA A 86 6.716 -6.315 -10.805 1.00 0.00 C ATOM 1351 C ALA A 86 6.553 -7.819 -10.574 1.00 0.00 C ATOM 1352 O ALA A 86 6.028 -8.544 -11.421 1.00 0.00 O ATOM 1353 CB ALA A 86 6.238 -5.958 -12.217 1.00 0.00 C ATOM 0 H ALA A 86 8.661 -5.876 -11.478 1.00 0.00 H new ATOM 0 HA ALA A 86 6.110 -5.783 -10.072 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.201 -6.270 -12.340 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.313 -4.881 -12.365 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.860 -6.469 -12.952 1.00 0.00 H new ATOM 1359 N VAL A 87 7.003 -8.281 -9.409 1.00 0.00 N ATOM 1360 CA VAL A 87 6.895 -9.696 -9.068 1.00 0.00 C ATOM 1361 C VAL A 87 5.429 -10.105 -8.943 1.00 0.00 C ATOM 1362 O VAL A 87 4.684 -9.550 -8.136 1.00 0.00 O ATOM 1363 CB VAL A 87 7.620 -9.994 -7.749 1.00 0.00 C ATOM 1364 CG1 VAL A 87 9.101 -9.642 -7.893 1.00 0.00 C ATOM 1365 CG2 VAL A 87 7.012 -9.163 -6.610 1.00 0.00 C ATOM 0 H VAL A 87 7.441 -7.702 -8.693 1.00 0.00 H new ATOM 0 HA VAL A 87 7.362 -10.270 -9.868 1.00 0.00 H new ATOM 0 HB VAL A 87 7.510 -11.053 -7.516 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.618 -9.853 -6.957 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.541 -10.238 -8.693 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.202 -8.583 -8.132 1.00 0.00 H new ATOM 0 HG21 VAL A 87 7.535 -9.383 -5.679 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.112 -8.102 -6.840 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.957 -9.413 -6.501 1.00 0.00 H new ATOM 1375 N LYS A 88 5.022 -11.082 -9.747 1.00 0.00 N ATOM 1376 CA LYS A 88 3.642 -11.555 -9.706 1.00 0.00 C ATOM 1377 C LYS A 88 3.352 -12.206 -8.358 1.00 0.00 C ATOM 1378 O LYS A 88 3.917 -13.247 -8.022 1.00 0.00 O ATOM 1379 CB LYS A 88 3.382 -12.569 -10.825 1.00 0.00 C ATOM 1380 CG LYS A 88 4.400 -13.714 -10.737 1.00 0.00 C ATOM 1381 CD LYS A 88 3.729 -14.960 -10.151 1.00 0.00 C ATOM 1382 CE LYS A 88 3.213 -15.845 -11.287 1.00 0.00 C ATOM 1383 NZ LYS A 88 2.407 -16.986 -10.764 1.00 0.00 N ATOM 0 H LYS A 88 5.618 -11.556 -10.426 1.00 0.00 H new ATOM 0 HA LYS A 88 2.985 -10.697 -9.847 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.369 -12.964 -10.742 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.455 -12.079 -11.796 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.798 -13.936 -11.727 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.243 -13.416 -10.114 1.00 0.00 H new ATOM 0 HD2 LYS A 88 4.440 -15.514 -9.538 1.00 0.00 H new ATOM 0 HD3 LYS A 88 2.905 -14.670 -9.499 1.00 0.00 H new ATOM 0 HE2 LYS A 88 2.604 -15.249 -11.967 1.00 0.00 H new ATOM 0 HE3 LYS A 88 4.055 -16.227 -11.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 2.072 -17.567 -11.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 2.996 -17.567 -10.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.590 -16.620 -10.234 1.00 0.00 H new ATOM 1397 N LYS A 89 2.470 -11.577 -7.585 1.00 0.00 N ATOM 1398 CA LYS A 89 2.119 -12.102 -6.269 1.00 0.00 C ATOM 1399 C LYS A 89 0.824 -12.905 -6.338 1.00 0.00 C ATOM 1400 O LYS A 89 0.263 -13.116 -7.412 1.00 0.00 O ATOM 1401 CB LYS A 89 1.942 -10.959 -5.266 1.00 0.00 C ATOM 1402 CG LYS A 89 3.217 -10.116 -5.223 1.00 0.00 C ATOM 1403 CD LYS A 89 4.268 -10.819 -4.360 1.00 0.00 C ATOM 1404 CE LYS A 89 5.173 -9.775 -3.705 1.00 0.00 C ATOM 1405 NZ LYS A 89 5.652 -10.231 -2.369 1.00 0.00 N ATOM 0 H LYS A 89 1.991 -10.714 -7.843 1.00 0.00 H new ATOM 0 HA LYS A 89 2.931 -12.752 -5.942 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.093 -10.339 -5.552 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.725 -11.360 -4.276 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.601 -9.967 -6.232 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.999 -9.129 -4.816 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.780 -11.424 -3.595 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.862 -11.497 -4.972 1.00 0.00 H new ATOM 0 HE2 LYS A 89 6.028 -9.576 -4.351 1.00 0.00 H new ATOM 0 HE3 LYS A 89 4.629 -8.836 -3.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 6.263 -9.501 -1.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 4.836 -10.397 -1.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.191 -11.114 -2.476 1.00 0.00 H new ATOM 1419 N ASP A 90 0.359 -13.350 -5.174 1.00 0.00 N ATOM 1420 CA ASP A 90 -0.872 -14.133 -5.101 1.00 0.00 C ATOM 1421 C ASP A 90 -2.085 -13.302 -5.526 1.00 0.00 C ATOM 1422 O ASP A 90 -3.129 -13.850 -5.877 1.00 0.00 O ATOM 1423 CB ASP A 90 -1.096 -14.645 -3.676 1.00 0.00 C ATOM 1424 CG ASP A 90 -1.027 -13.480 -2.696 1.00 0.00 C ATOM 1425 OD1 ASP A 90 -1.908 -12.638 -2.744 1.00 0.00 O ATOM 1426 OD2 ASP A 90 -0.095 -13.447 -1.910 1.00 0.00 O ATOM 0 H ASP A 90 0.811 -13.184 -4.275 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.763 -14.976 -5.784 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.066 -15.137 -3.604 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.342 -15.390 -3.424 1.00 0.00 H new ATOM 1431 N THR A 91 -1.945 -11.975 -5.490 1.00 0.00 N ATOM 1432 CA THR A 91 -3.049 -11.099 -5.874 1.00 0.00 C ATOM 1433 C THR A 91 -2.531 -9.891 -6.660 1.00 0.00 C ATOM 1434 O THR A 91 -1.385 -9.476 -6.489 1.00 0.00 O ATOM 1435 CB THR A 91 -3.795 -10.606 -4.633 1.00 0.00 C ATOM 1436 OG1 THR A 91 -2.882 -10.491 -3.549 1.00 0.00 O ATOM 1437 CG2 THR A 91 -4.898 -11.600 -4.268 1.00 0.00 C ATOM 0 H THR A 91 -1.093 -11.492 -5.204 1.00 0.00 H new ATOM 0 HA THR A 91 -3.729 -11.673 -6.503 1.00 0.00 H new ATOM 0 HB THR A 91 -4.241 -9.633 -4.840 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.872 -11.328 -3.040 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.428 -11.247 -3.384 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.598 -11.689 -5.099 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.456 -12.574 -4.061 1.00 0.00 H new ATOM 1445 N PRO A 92 -3.372 -9.313 -7.531 1.00 0.00 N ATOM 1446 CA PRO A 92 -2.987 -8.147 -8.342 1.00 0.00 C ATOM 1447 C PRO A 92 -2.863 -6.873 -7.510 1.00 0.00 C ATOM 1448 O PRO A 92 -1.872 -6.147 -7.603 1.00 0.00 O ATOM 1449 CB PRO A 92 -4.121 -8.012 -9.352 1.00 0.00 C ATOM 1450 CG PRO A 92 -5.299 -8.651 -8.700 1.00 0.00 C ATOM 1451 CD PRO A 92 -4.760 -9.731 -7.809 1.00 0.00 C ATOM 0 HA PRO A 92 -2.008 -8.285 -8.801 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.319 -6.966 -9.585 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -3.874 -8.507 -10.291 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.867 -7.921 -8.124 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.977 -9.066 -9.446 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.341 -9.817 -6.891 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.792 -10.704 -8.299 1.00 0.00 H new ATOM 1459 N GLN A 93 -3.883 -6.609 -6.695 1.00 0.00 N ATOM 1460 CA GLN A 93 -3.883 -5.417 -5.847 1.00 0.00 C ATOM 1461 C GLN A 93 -2.667 -5.403 -4.917 1.00 0.00 C ATOM 1462 O GLN A 93 -2.258 -4.350 -4.431 1.00 0.00 O ATOM 1463 CB GLN A 93 -5.160 -5.359 -5.005 1.00 0.00 C ATOM 1464 CG GLN A 93 -5.290 -6.640 -4.174 1.00 0.00 C ATOM 1465 CD GLN A 93 -6.755 -7.060 -4.104 1.00 0.00 C ATOM 1466 OE1 GLN A 93 -7.654 -6.227 -4.228 1.00 0.00 O ATOM 1467 NE2 GLN A 93 -7.052 -8.315 -3.909 1.00 0.00 N ATOM 0 H GLN A 93 -4.712 -7.197 -6.604 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.838 -4.547 -6.502 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.135 -4.489 -4.348 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -6.029 -5.245 -5.653 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.694 -7.436 -4.620 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.901 -6.475 -3.169 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.308 -9.005 -3.806 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.028 -8.606 -3.859 1.00 0.00 H new ATOM 1476 N HIS A 94 -2.092 -6.581 -4.674 1.00 0.00 N ATOM 1477 CA HIS A 94 -0.925 -6.679 -3.803 1.00 0.00 C ATOM 1478 C HIS A 94 0.311 -6.136 -4.512 1.00 0.00 C ATOM 1479 O HIS A 94 0.974 -5.220 -4.025 1.00 0.00 O ATOM 1480 CB HIS A 94 -0.674 -8.137 -3.407 1.00 0.00 C ATOM 1481 CG HIS A 94 0.048 -8.189 -2.087 1.00 0.00 C ATOM 1482 ND1 HIS A 94 0.598 -9.363 -1.594 1.00 0.00 N ATOM 1483 CD2 HIS A 94 0.318 -7.226 -1.145 1.00 0.00 C ATOM 1484 CE1 HIS A 94 1.164 -9.079 -0.407 1.00 0.00 C ATOM 1485 NE2 HIS A 94 1.022 -7.789 -0.085 1.00 0.00 N ATOM 0 H HIS A 94 -2.411 -7.468 -5.063 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.120 -6.089 -2.907 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -1.621 -8.672 -3.336 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.083 -8.636 -4.175 1.00 0.00 H new ATOM 0 HD1 HIS A 94 0.577 -10.276 -2.049 1.00 0.00 H new ATOM 0 HD2 HIS A 94 0.028 -6.188 -1.216 1.00 0.00 H new ATOM 0 HE1 HIS A 94 1.672 -9.805 0.211 1.00 0.00 H new ATOM 1493 N SER A 95 0.612 -6.714 -5.676 1.00 0.00 N ATOM 1494 CA SER A 95 1.772 -6.296 -6.471 1.00 0.00 C ATOM 1495 C SER A 95 1.834 -4.773 -6.625 1.00 0.00 C ATOM 1496 O SER A 95 2.908 -4.195 -6.781 1.00 0.00 O ATOM 1497 CB SER A 95 1.715 -6.926 -7.863 1.00 0.00 C ATOM 1498 OG SER A 95 0.462 -6.624 -8.465 1.00 0.00 O ATOM 0 H SER A 95 0.070 -7.472 -6.090 1.00 0.00 H new ATOM 0 HA SER A 95 2.663 -6.632 -5.940 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.529 -6.546 -8.480 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.846 -8.006 -7.792 1.00 0.00 H new ATOM 0 HG SER A 95 -0.263 -6.877 -7.856 1.00 0.00 H new ATOM 1504 N SER A 96 0.665 -4.133 -6.587 1.00 0.00 N ATOM 1505 CA SER A 96 0.589 -2.678 -6.733 1.00 0.00 C ATOM 1506 C SER A 96 1.469 -1.970 -5.702 1.00 0.00 C ATOM 1507 O SER A 96 2.113 -0.965 -6.003 1.00 0.00 O ATOM 1508 CB SER A 96 -0.854 -2.198 -6.565 1.00 0.00 C ATOM 1509 OG SER A 96 -1.205 -2.229 -5.188 1.00 0.00 O ATOM 0 H SER A 96 -0.236 -4.594 -6.458 1.00 0.00 H new ATOM 0 HA SER A 96 0.946 -2.432 -7.733 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.960 -1.186 -6.956 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.529 -2.833 -7.138 1.00 0.00 H new ATOM 0 HG SER A 96 -1.878 -2.926 -5.038 1.00 0.00 H new ATOM 1515 N ALA A 97 1.490 -2.505 -4.483 1.00 0.00 N ATOM 1516 CA ALA A 97 2.294 -1.914 -3.412 1.00 0.00 C ATOM 1517 C ALA A 97 3.769 -1.878 -3.804 1.00 0.00 C ATOM 1518 O ALA A 97 4.349 -0.808 -3.992 1.00 0.00 O ATOM 1519 CB ALA A 97 2.139 -2.718 -2.119 1.00 0.00 C ATOM 0 H ALA A 97 0.966 -3.337 -4.213 1.00 0.00 H new ATOM 0 HA ALA A 97 1.939 -0.896 -3.251 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.744 -2.264 -1.334 1.00 0.00 H new ATOM 0 HB2 ALA A 97 1.092 -2.720 -1.815 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.471 -3.743 -2.286 1.00 0.00 H new ATOM 1525 N ASP A 98 4.368 -3.061 -3.936 1.00 0.00 N ATOM 1526 CA ASP A 98 5.777 -3.152 -4.317 1.00 0.00 C ATOM 1527 C ASP A 98 5.998 -2.492 -5.677 1.00 0.00 C ATOM 1528 O ASP A 98 7.050 -1.910 -5.941 1.00 0.00 O ATOM 1529 CB ASP A 98 6.217 -4.616 -4.396 1.00 0.00 C ATOM 1530 CG ASP A 98 5.879 -5.321 -3.087 1.00 0.00 C ATOM 1531 OD1 ASP A 98 6.536 -5.039 -2.098 1.00 0.00 O ATOM 1532 OD2 ASP A 98 4.969 -6.133 -3.093 1.00 0.00 O ATOM 0 H ASP A 98 3.907 -3.959 -3.787 1.00 0.00 H new ATOM 0 HA ASP A 98 6.368 -2.638 -3.559 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.717 -5.112 -5.228 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.289 -4.675 -4.587 1.00 0.00 H new ATOM 1537 N PHE A 99 4.981 -2.585 -6.529 1.00 0.00 N ATOM 1538 CA PHE A 99 5.048 -1.991 -7.860 1.00 0.00 C ATOM 1539 C PHE A 99 5.219 -0.474 -7.752 1.00 0.00 C ATOM 1540 O PHE A 99 5.843 0.156 -8.605 1.00 0.00 O ATOM 1541 CB PHE A 99 3.761 -2.318 -8.635 1.00 0.00 C ATOM 1542 CG PHE A 99 3.798 -1.713 -10.021 1.00 0.00 C ATOM 1543 CD1 PHE A 99 4.915 -1.901 -10.843 1.00 0.00 C ATOM 1544 CD2 PHE A 99 2.706 -0.970 -10.482 1.00 0.00 C ATOM 1545 CE1 PHE A 99 4.940 -1.342 -12.125 1.00 0.00 C ATOM 1546 CE2 PHE A 99 2.730 -0.411 -11.763 1.00 0.00 C ATOM 1547 CZ PHE A 99 3.847 -0.597 -12.587 1.00 0.00 C ATOM 0 H PHE A 99 4.104 -3.064 -6.323 1.00 0.00 H new ATOM 0 HA PHE A 99 5.905 -2.404 -8.392 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.641 -3.399 -8.709 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.897 -1.937 -8.090 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.757 -2.477 -10.488 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.844 -0.828 -9.848 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.802 -1.485 -12.759 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.887 0.164 -12.117 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.866 -0.167 -13.577 1.00 0.00 H new ATOM 1557 N PHE A 100 4.660 0.102 -6.690 1.00 0.00 N ATOM 1558 CA PHE A 100 4.759 1.543 -6.476 1.00 0.00 C ATOM 1559 C PHE A 100 5.771 1.848 -5.370 1.00 0.00 C ATOM 1560 O PHE A 100 5.643 2.834 -4.645 1.00 0.00 O ATOM 1561 CB PHE A 100 3.385 2.118 -6.084 1.00 0.00 C ATOM 1562 CG PHE A 100 2.847 2.982 -7.202 1.00 0.00 C ATOM 1563 CD1 PHE A 100 3.627 4.023 -7.723 1.00 0.00 C ATOM 1564 CD2 PHE A 100 1.567 2.746 -7.717 1.00 0.00 C ATOM 1565 CE1 PHE A 100 3.128 4.825 -8.755 1.00 0.00 C ATOM 1566 CE2 PHE A 100 1.067 3.548 -8.750 1.00 0.00 C ATOM 1567 CZ PHE A 100 1.848 4.587 -9.270 1.00 0.00 C ATOM 0 H PHE A 100 4.139 -0.401 -5.971 1.00 0.00 H new ATOM 0 HA PHE A 100 5.093 2.006 -7.405 1.00 0.00 H new ATOM 0 HB2 PHE A 100 2.689 1.306 -5.874 1.00 0.00 H new ATOM 0 HB3 PHE A 100 3.475 2.706 -5.170 1.00 0.00 H new ATOM 0 HD1 PHE A 100 4.615 4.207 -7.327 1.00 0.00 H new ATOM 0 HD2 PHE A 100 0.964 1.944 -7.317 1.00 0.00 H new ATOM 0 HE1 PHE A 100 3.730 5.628 -9.154 1.00 0.00 H new ATOM 0 HE2 PHE A 100 0.079 3.365 -9.146 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.463 5.205 -10.068 1.00 0.00 H new ATOM 1577 N LYS A 101 6.781 0.990 -5.254 1.00 0.00 N ATOM 1578 CA LYS A 101 7.811 1.177 -4.235 1.00 0.00 C ATOM 1579 C LYS A 101 9.164 0.716 -4.763 1.00 0.00 C ATOM 1580 O LYS A 101 10.156 1.439 -4.687 1.00 0.00 O ATOM 1581 CB LYS A 101 7.473 0.379 -2.976 1.00 0.00 C ATOM 1582 CG LYS A 101 6.278 1.019 -2.267 1.00 0.00 C ATOM 1583 CD LYS A 101 5.884 0.165 -1.063 1.00 0.00 C ATOM 1584 CE LYS A 101 4.610 0.727 -0.430 1.00 0.00 C ATOM 1585 NZ LYS A 101 3.865 -0.325 0.319 1.00 0.00 N ATOM 0 H LYS A 101 6.908 0.168 -5.845 1.00 0.00 H new ATOM 0 HA LYS A 101 7.854 2.238 -3.990 1.00 0.00 H new ATOM 0 HB2 LYS A 101 7.242 -0.653 -3.239 1.00 0.00 H new ATOM 0 HB3 LYS A 101 8.334 0.353 -2.308 1.00 0.00 H new ATOM 0 HG2 LYS A 101 6.531 2.028 -1.943 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.437 1.107 -2.955 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.723 -0.867 -1.374 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.692 0.155 -0.331 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.867 1.543 0.245 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.970 1.145 -1.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.898 -0.399 -0.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.349 -1.239 0.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.828 -0.073 1.327 1.00 0.00 H new ATOM 1599 N CYS A 102 9.187 -0.504 -5.304 1.00 0.00 N ATOM 1600 CA CYS A 102 10.418 -1.084 -5.853 1.00 0.00 C ATOM 1601 C CYS A 102 11.103 -0.112 -6.816 1.00 0.00 C ATOM 1602 O CYS A 102 12.271 0.236 -6.646 1.00 0.00 O ATOM 1603 CB CYS A 102 10.094 -2.379 -6.600 1.00 0.00 C ATOM 1604 SG CYS A 102 11.627 -3.228 -7.052 1.00 0.00 S ATOM 0 H CYS A 102 8.369 -1.110 -5.374 1.00 0.00 H new ATOM 0 HA CYS A 102 11.092 -1.290 -5.022 1.00 0.00 H new ATOM 0 HB2 CYS A 102 9.480 -3.027 -5.974 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.513 -2.157 -7.495 1.00 0.00 H new ATOM 1609 N VAL A 103 10.358 0.320 -7.827 1.00 0.00 N ATOM 1610 CA VAL A 103 10.895 1.254 -8.814 1.00 0.00 C ATOM 1611 C VAL A 103 11.334 2.563 -8.151 1.00 0.00 C ATOM 1612 O VAL A 103 12.145 3.307 -8.703 1.00 0.00 O ATOM 1613 CB VAL A 103 9.841 1.563 -9.882 1.00 0.00 C ATOM 1614 CG1 VAL A 103 9.499 0.283 -10.645 1.00 0.00 C ATOM 1615 CG2 VAL A 103 8.575 2.109 -9.211 1.00 0.00 C ATOM 0 H VAL A 103 9.389 0.043 -7.986 1.00 0.00 H new ATOM 0 HA VAL A 103 11.762 0.784 -9.278 1.00 0.00 H new ATOM 0 HB VAL A 103 10.235 2.307 -10.575 1.00 0.00 H new ATOM 0 HG11 VAL A 103 8.749 0.502 -11.405 1.00 0.00 H new ATOM 0 HG12 VAL A 103 10.398 -0.107 -11.123 1.00 0.00 H new ATOM 0 HG13 VAL A 103 9.106 -0.460 -9.951 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.826 2.329 -9.972 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.181 1.366 -8.518 1.00 0.00 H new ATOM 0 HG23 VAL A 103 8.817 3.021 -8.666 1.00 0.00 H new ATOM 1625 N HIS A 104 10.787 2.843 -6.966 1.00 0.00 N ATOM 1626 CA HIS A 104 11.128 4.070 -6.253 1.00 0.00 C ATOM 1627 C HIS A 104 12.390 3.888 -5.411 1.00 0.00 C ATOM 1628 O HIS A 104 13.423 4.502 -5.678 1.00 0.00 O ATOM 1629 CB HIS A 104 9.978 4.492 -5.336 1.00 0.00 C ATOM 1630 CG HIS A 104 8.964 5.268 -6.130 1.00 0.00 C ATOM 1631 ND1 HIS A 104 7.939 4.649 -6.828 1.00 0.00 N ATOM 1632 CD2 HIS A 104 8.804 6.615 -6.345 1.00 0.00 C ATOM 1633 CE1 HIS A 104 7.215 5.613 -7.425 1.00 0.00 C ATOM 1634 NE2 HIS A 104 7.699 6.830 -7.163 1.00 0.00 N ATOM 0 H HIS A 104 10.115 2.244 -6.487 1.00 0.00 H new ATOM 0 HA HIS A 104 11.308 4.843 -7.001 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.512 3.613 -4.891 1.00 0.00 H new ATOM 0 HB3 HIS A 104 10.357 5.101 -4.516 1.00 0.00 H new ATOM 0 HD2 HIS A 104 9.439 7.389 -5.941 1.00 0.00 H new ATOM 0 HE1 HIS A 104 6.348 5.426 -8.041 1.00 0.00 H new ATOM 0 HE2 HIS A 104 7.336 7.725 -7.492 1.00 0.00 H new ATOM 1642 N ASP A 105 12.291 3.052 -4.377 1.00 0.00 N ATOM 1643 CA ASP A 105 13.432 2.814 -3.485 1.00 0.00 C ATOM 1644 C ASP A 105 14.667 2.353 -4.263 1.00 0.00 C ATOM 1645 O ASP A 105 15.759 2.893 -4.088 1.00 0.00 O ATOM 1646 CB ASP A 105 13.100 1.774 -2.397 1.00 0.00 C ATOM 1647 CG ASP A 105 12.271 0.620 -2.967 1.00 0.00 C ATOM 1648 OD1 ASP A 105 12.334 0.395 -4.162 1.00 0.00 O ATOM 1649 OD2 ASP A 105 11.584 -0.023 -2.190 1.00 0.00 O ATOM 0 H ASP A 105 11.446 2.534 -4.136 1.00 0.00 H new ATOM 0 HA ASP A 105 13.650 3.768 -3.004 1.00 0.00 H new ATOM 0 HB2 ASP A 105 14.024 1.385 -1.969 1.00 0.00 H new ATOM 0 HB3 ASP A 105 12.551 2.254 -1.587 1.00 0.00 H new ATOM 1654 N ASN A 106 14.488 1.351 -5.120 1.00 0.00 N ATOM 1655 CA ASN A 106 15.602 0.829 -5.913 1.00 0.00 C ATOM 1656 C ASN A 106 16.712 0.317 -4.996 1.00 0.00 C ATOM 1657 O ASN A 106 16.549 0.260 -3.777 1.00 0.00 O ATOM 1658 CB ASN A 106 16.165 1.925 -6.826 1.00 0.00 C ATOM 1659 CG ASN A 106 16.539 1.327 -8.179 1.00 0.00 C ATOM 1660 OD1 ASN A 106 15.672 0.876 -8.927 1.00 0.00 O ATOM 1661 ND2 ASN A 106 17.793 1.297 -8.540 1.00 0.00 N ATOM 0 H ASN A 106 13.594 0.888 -5.283 1.00 0.00 H new ATOM 0 HA ASN A 106 15.231 0.006 -6.524 1.00 0.00 H new ATOM 0 HB2 ASN A 106 15.427 2.716 -6.959 1.00 0.00 H new ATOM 0 HB3 ASN A 106 17.041 2.381 -6.365 1.00 0.00 H new ATOM 0 HD21 ASN A 106 18.055 0.900 -9.442 1.00 0.00 H new ATOM 0 HD22 ASN A 106 18.511 1.671 -7.920 1.00 0.00 H new ATOM 1668 N ARG A 107 17.841 -0.052 -5.592 1.00 0.00 N ATOM 1669 CA ARG A 107 18.970 -0.553 -4.814 1.00 0.00 C ATOM 1670 C ARG A 107 20.271 0.081 -5.296 1.00 0.00 C ATOM 1671 O ARG A 107 20.616 0.008 -6.476 1.00 0.00 O ATOM 1672 CB ARG A 107 19.077 -2.075 -4.935 1.00 0.00 C ATOM 1673 CG ARG A 107 19.104 -2.476 -6.410 1.00 0.00 C ATOM 1674 CD ARG A 107 19.055 -4.001 -6.527 1.00 0.00 C ATOM 1675 NE ARG A 107 20.226 -4.604 -5.896 1.00 0.00 N ATOM 1676 CZ ARG A 107 20.696 -5.780 -6.304 1.00 0.00 C ATOM 1677 NH1 ARG A 107 21.315 -5.873 -7.449 1.00 0.00 N ATOM 1678 NH2 ARG A 107 20.538 -6.839 -5.558 1.00 0.00 N ATOM 0 H ARG A 107 17.999 -0.015 -6.599 1.00 0.00 H new ATOM 0 HA ARG A 107 18.802 -0.288 -3.770 1.00 0.00 H new ATOM 0 HB2 ARG A 107 19.981 -2.426 -4.437 1.00 0.00 H new ATOM 0 HB3 ARG A 107 18.232 -2.549 -4.435 1.00 0.00 H new ATOM 0 HG2 ARG A 107 18.257 -2.033 -6.933 1.00 0.00 H new ATOM 0 HG3 ARG A 107 20.007 -2.093 -6.885 1.00 0.00 H new ATOM 0 HD2 ARG A 107 18.147 -4.378 -6.056 1.00 0.00 H new ATOM 0 HD3 ARG A 107 19.013 -4.289 -7.577 1.00 0.00 H new ATOM 0 HE ARG A 107 20.691 -4.116 -5.130 1.00 0.00 H new ATOM 0 HH11 ARG A 107 21.438 -5.044 -8.031 1.00 0.00 H new ATOM 0 HH12 ARG A 107 21.675 -6.774 -7.762 1.00 0.00 H new ATOM 0 HH21 ARG A 107 20.055 -6.765 -4.663 1.00 0.00 H new ATOM 0 HH22 ARG A 107 20.898 -7.741 -5.870 1.00 0.00 H new ATOM 1692 N SER A 108 20.989 0.705 -4.367 1.00 0.00 N ATOM 1693 CA SER A 108 22.254 1.353 -4.703 1.00 0.00 C ATOM 1694 C SER A 108 23.394 0.341 -4.674 1.00 0.00 C ATOM 1695 O SER A 108 24.020 0.153 -5.705 1.00 0.00 O ATOM 1696 CB SER A 108 22.559 2.478 -3.713 1.00 0.00 C ATOM 1697 OG SER A 108 21.408 3.299 -3.567 1.00 0.00 O ATOM 1698 OXT SER A 108 23.626 -0.230 -3.622 1.00 0.00 O ATOM 0 H SER A 108 20.721 0.776 -3.385 1.00 0.00 H new ATOM 0 HA SER A 108 22.163 1.769 -5.706 1.00 0.00 H new ATOM 0 HB2 SER A 108 22.847 2.061 -2.748 1.00 0.00 H new ATOM 0 HB3 SER A 108 23.401 3.072 -4.068 1.00 0.00 H new ATOM 0 HG SER A 108 21.599 4.020 -2.932 1.00 0.00 H new TER 1704 SER A 108