USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 CYS SG : rot 90:sc= 1.06 USER MOD Set 1.2: A 69 SER OG : rot -80:sc= 0.844 USER MOD Set 1.3: A 71 THR OG1 : rot 147:sc= 1.32 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.398 X(o=-0.4,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0122 USER MOD Single : A 16 GLN : amide:sc= -0.366 X(o=-0.37,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.334 X(o=0.33,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0314 X(o=-0.031,f=-0.43) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0178 USER MOD Single : A 38 THR OG1 : rot -88:sc= 0.639 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -109:sc= -4.08 (180deg=-6.32!) USER MOD Single : A 47 MET CE :methyl -141:sc= 0 (180deg=-0.0764) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 53 THR OG1 : rot -140:sc= -0.174 USER MOD Single : A 58 GLN : amide:sc= -0.75 X(o=-0.75,f=-0.26) USER MOD Single : A 60 MET CE :methyl -165:sc= -0.0792 (180deg=-0.412) USER MOD Single : A 80 MET CE :methyl -152:sc= -3.42 (180deg=-4.09!) USER MOD Single : A 81 MET CE :methyl 153:sc= -0.204 (180deg=-0.788) USER MOD Single : A 84 CYS SG : rot 72:sc= 0.0891 USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 9.518 -4.140 -18.179 1.00 0.00 N ATOM 47 CA ILE A 4 8.478 -5.108 -17.833 1.00 0.00 C ATOM 48 C ILE A 4 7.150 -4.391 -17.567 1.00 0.00 C ATOM 49 O ILE A 4 6.091 -5.005 -17.637 1.00 0.00 O ATOM 50 CB ILE A 4 8.875 -5.942 -16.602 1.00 0.00 C ATOM 51 CG1 ILE A 4 8.846 -5.071 -15.341 1.00 0.00 C ATOM 52 CG2 ILE A 4 10.284 -6.505 -16.797 1.00 0.00 C ATOM 53 CD1 ILE A 4 7.448 -5.118 -14.724 1.00 0.00 C ATOM 0 HA ILE A 4 8.360 -5.784 -18.680 1.00 0.00 H new ATOM 0 HB ILE A 4 8.165 -6.761 -16.487 1.00 0.00 H new ATOM 0 HG12 ILE A 4 9.585 -5.427 -14.623 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.112 -4.043 -15.589 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.564 -7.095 -15.925 1.00 0.00 H new ATOM 0 HG22 ILE A 4 10.303 -7.137 -17.685 1.00 0.00 H new ATOM 0 HG23 ILE A 4 10.990 -5.684 -16.921 1.00 0.00 H new ATOM 0 HD11 ILE A 4 7.425 -4.499 -13.827 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.720 -4.742 -15.443 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.201 -6.147 -14.462 1.00 0.00 H new ATOM 65 N TYR A 5 7.222 -3.083 -17.272 1.00 0.00 N ATOM 66 CA TYR A 5 6.015 -2.288 -17.012 1.00 0.00 C ATOM 67 C TYR A 5 5.214 -2.140 -18.301 1.00 0.00 C ATOM 68 O TYR A 5 3.987 -2.054 -18.282 1.00 0.00 O ATOM 69 CB TYR A 5 6.373 -0.883 -16.501 1.00 0.00 C ATOM 70 CG TYR A 5 6.873 -0.934 -15.071 1.00 0.00 C ATOM 71 CD1 TYR A 5 7.588 -2.044 -14.610 1.00 0.00 C ATOM 72 CD2 TYR A 5 6.635 0.145 -14.212 1.00 0.00 C ATOM 73 CE1 TYR A 5 8.066 -2.079 -13.301 1.00 0.00 C ATOM 74 CE2 TYR A 5 7.109 0.110 -12.897 1.00 0.00 C ATOM 75 CZ TYR A 5 7.825 -1.003 -12.440 1.00 0.00 C ATOM 76 OH TYR A 5 8.296 -1.037 -11.143 1.00 0.00 O ATOM 0 H TYR A 5 8.095 -2.559 -17.208 1.00 0.00 H new ATOM 0 HA TYR A 5 5.431 -2.806 -16.251 1.00 0.00 H new ATOM 0 HB2 TYR A 5 7.138 -0.444 -17.142 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.497 -0.237 -16.561 1.00 0.00 H new ATOM 0 HD1 TYR A 5 7.771 -2.878 -15.271 1.00 0.00 H new ATOM 0 HD2 TYR A 5 6.085 1.005 -14.565 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.622 -2.936 -12.952 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.923 0.942 -12.234 1.00 0.00 H new ATOM 0 HH TYR A 5 8.043 -0.211 -10.681 1.00 0.00 H new ATOM 86 N LYS A 6 5.939 -2.122 -19.423 1.00 0.00 N ATOM 87 CA LYS A 6 5.307 -1.998 -20.739 1.00 0.00 C ATOM 88 C LYS A 6 4.721 -3.343 -21.146 1.00 0.00 C ATOM 89 O LYS A 6 3.606 -3.422 -21.660 1.00 0.00 O ATOM 90 CB LYS A 6 6.319 -1.543 -21.802 1.00 0.00 C ATOM 91 CG LYS A 6 7.177 -0.388 -21.263 1.00 0.00 C ATOM 92 CD LYS A 6 6.286 0.646 -20.566 1.00 0.00 C ATOM 93 CE LYS A 6 7.150 1.586 -19.720 1.00 0.00 C ATOM 94 NZ LYS A 6 6.376 2.817 -19.387 1.00 0.00 N ATOM 0 H LYS A 6 6.956 -2.191 -19.447 1.00 0.00 H new ATOM 0 HA LYS A 6 4.519 -1.247 -20.671 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.959 -2.379 -22.086 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.793 -1.225 -22.702 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.919 -0.771 -20.563 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.723 0.083 -22.081 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.728 1.218 -21.307 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.554 0.143 -19.935 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.463 1.083 -18.805 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.056 1.851 -20.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.965 3.453 -18.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.099 3.301 -20.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.524 2.557 -18.851 1.00 0.00 H new ATOM 108 N ALA A 7 5.486 -4.401 -20.881 1.00 0.00 N ATOM 109 CA ALA A 7 5.037 -5.761 -21.191 1.00 0.00 C ATOM 110 C ALA A 7 3.921 -6.189 -20.226 1.00 0.00 C ATOM 111 O ALA A 7 3.081 -7.025 -20.564 1.00 0.00 O ATOM 112 CB ALA A 7 6.200 -6.749 -21.077 1.00 0.00 C ATOM 0 H ALA A 7 6.412 -4.346 -20.456 1.00 0.00 H new ATOM 0 HA ALA A 7 4.657 -5.765 -22.213 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.848 -7.754 -21.311 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.986 -6.468 -21.778 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.595 -6.730 -20.061 1.00 0.00 H new ATOM 118 N ALA A 8 3.930 -5.603 -19.021 1.00 0.00 N ATOM 119 CA ALA A 8 2.929 -5.920 -18.002 1.00 0.00 C ATOM 120 C ALA A 8 1.641 -5.120 -18.214 1.00 0.00 C ATOM 121 O ALA A 8 0.552 -5.605 -17.904 1.00 0.00 O ATOM 122 CB ALA A 8 3.476 -5.614 -16.605 1.00 0.00 C ATOM 0 H ALA A 8 4.619 -4.909 -18.732 1.00 0.00 H new ATOM 0 HA ALA A 8 2.703 -6.983 -18.090 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.720 -5.855 -15.857 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.369 -6.213 -16.425 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.729 -4.556 -16.537 1.00 0.00 H new ATOM 128 N VAL A 9 1.769 -3.891 -18.740 1.00 0.00 N ATOM 129 CA VAL A 9 0.592 -3.044 -18.980 1.00 0.00 C ATOM 130 C VAL A 9 -0.404 -3.740 -19.917 1.00 0.00 C ATOM 131 O VAL A 9 -1.616 -3.548 -19.797 1.00 0.00 O ATOM 132 CB VAL A 9 1.005 -1.678 -19.567 1.00 0.00 C ATOM 133 CG1 VAL A 9 1.141 -1.758 -21.092 1.00 0.00 C ATOM 134 CG2 VAL A 9 -0.057 -0.633 -19.209 1.00 0.00 C ATOM 0 H VAL A 9 2.659 -3.468 -19.003 1.00 0.00 H new ATOM 0 HA VAL A 9 0.105 -2.876 -18.019 1.00 0.00 H new ATOM 0 HB VAL A 9 1.970 -1.395 -19.146 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.433 -0.783 -21.483 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.901 -2.495 -21.351 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.186 -2.052 -21.527 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.230 0.334 -19.622 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.018 -0.934 -19.625 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.140 -0.555 -18.125 1.00 0.00 H new ATOM 144 N GLU A 10 0.120 -4.559 -20.838 1.00 0.00 N ATOM 145 CA GLU A 10 -0.732 -5.292 -21.776 1.00 0.00 C ATOM 146 C GLU A 10 -1.578 -6.332 -21.036 1.00 0.00 C ATOM 147 O GLU A 10 -2.683 -6.667 -21.469 1.00 0.00 O ATOM 148 CB GLU A 10 0.117 -6.003 -22.835 1.00 0.00 C ATOM 149 CG GLU A 10 0.579 -4.990 -23.887 1.00 0.00 C ATOM 150 CD GLU A 10 1.935 -5.413 -24.445 1.00 0.00 C ATOM 151 OE1 GLU A 10 2.918 -5.264 -23.738 1.00 0.00 O ATOM 152 OE2 GLU A 10 1.972 -5.877 -25.571 1.00 0.00 O ATOM 0 H GLU A 10 1.119 -4.728 -20.951 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.388 -4.570 -22.262 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.980 -6.476 -22.367 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.462 -6.796 -23.308 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.153 -4.927 -24.692 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.651 -3.997 -23.443 1.00 0.00 H new ATOM 159 N GLN A 11 -1.053 -6.829 -19.908 1.00 0.00 N ATOM 160 CA GLN A 11 -1.773 -7.822 -19.108 1.00 0.00 C ATOM 161 C GLN A 11 -2.829 -7.139 -18.240 1.00 0.00 C ATOM 162 O GLN A 11 -3.894 -7.704 -17.980 1.00 0.00 O ATOM 163 CB GLN A 11 -0.805 -8.594 -18.204 1.00 0.00 C ATOM 164 CG GLN A 11 0.282 -9.253 -19.056 1.00 0.00 C ATOM 165 CD GLN A 11 1.158 -10.141 -18.177 1.00 0.00 C ATOM 166 OE1 GLN A 11 0.715 -11.190 -17.707 1.00 0.00 O ATOM 167 NE2 GLN A 11 2.388 -9.783 -17.925 1.00 0.00 N ATOM 0 H GLN A 11 -0.142 -6.562 -19.534 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.257 -8.518 -19.793 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.352 -7.918 -17.479 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.347 -9.352 -17.638 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.174 -9.846 -19.849 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.891 -8.489 -19.539 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.756 -8.915 -18.313 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.981 -10.372 -17.340 1.00 0.00 H new ATOM 176 N LEU A 12 -2.523 -5.912 -17.800 1.00 0.00 N ATOM 177 CA LEU A 12 -3.451 -5.148 -16.964 1.00 0.00 C ATOM 178 C LEU A 12 -4.695 -4.774 -17.766 1.00 0.00 C ATOM 179 O LEU A 12 -4.603 -4.339 -18.916 1.00 0.00 O ATOM 180 CB LEU A 12 -2.789 -3.865 -16.441 1.00 0.00 C ATOM 181 CG LEU A 12 -1.349 -4.013 -15.930 1.00 0.00 C ATOM 182 CD1 LEU A 12 -0.979 -2.795 -15.080 1.00 0.00 C ATOM 183 CD2 LEU A 12 -1.224 -5.284 -15.079 1.00 0.00 C ATOM 0 H LEU A 12 -1.647 -5.432 -18.008 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.731 -5.774 -16.117 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.796 -3.124 -17.240 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.402 -3.467 -15.632 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.674 -4.083 -16.783 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.044 -2.901 -14.718 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.058 -1.892 -15.685 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.659 -2.724 -14.231 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.200 -5.382 -14.720 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.902 -5.220 -14.228 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.481 -6.154 -15.684 1.00 0.00 H new ATOM 195 N THR A 13 -5.861 -4.958 -17.145 1.00 0.00 N ATOM 196 CA THR A 13 -7.133 -4.648 -17.805 1.00 0.00 C ATOM 197 C THR A 13 -7.798 -3.432 -17.168 1.00 0.00 C ATOM 198 O THR A 13 -7.421 -2.995 -16.076 1.00 0.00 O ATOM 199 CB THR A 13 -8.100 -5.838 -17.708 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.819 -6.600 -16.541 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.951 -6.722 -18.946 1.00 0.00 C ATOM 0 H THR A 13 -5.953 -5.317 -16.195 1.00 0.00 H new ATOM 0 HA THR A 13 -6.911 -4.436 -18.851 1.00 0.00 H new ATOM 0 HB THR A 13 -9.122 -5.463 -17.650 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.441 -7.355 -16.486 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.638 -7.566 -18.875 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.181 -6.140 -19.838 1.00 0.00 H new ATOM 0 HG23 THR A 13 -6.927 -7.092 -19.008 1.00 0.00 H new ATOM 209 N ASP A 14 -8.811 -2.907 -17.861 1.00 0.00 N ATOM 210 CA ASP A 14 -9.560 -1.751 -17.363 1.00 0.00 C ATOM 211 C ASP A 14 -10.248 -2.097 -16.042 1.00 0.00 C ATOM 212 O ASP A 14 -10.406 -1.241 -15.173 1.00 0.00 O ATOM 213 CB ASP A 14 -10.624 -1.321 -18.376 1.00 0.00 C ATOM 214 CG ASP A 14 -9.957 -0.592 -19.540 1.00 0.00 C ATOM 215 OD1 ASP A 14 -9.527 -1.262 -20.465 1.00 0.00 O ATOM 216 OD2 ASP A 14 -9.886 0.625 -19.489 1.00 0.00 O ATOM 0 H ASP A 14 -9.130 -3.261 -18.763 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.855 -0.934 -17.210 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.166 -2.193 -18.742 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.355 -0.670 -17.897 1.00 0.00 H new ATOM 221 N GLU A 15 -10.648 -3.369 -15.904 1.00 0.00 N ATOM 222 CA GLU A 15 -11.313 -3.836 -14.684 1.00 0.00 C ATOM 223 C GLU A 15 -10.392 -3.674 -13.474 1.00 0.00 C ATOM 224 O GLU A 15 -10.816 -3.197 -12.420 1.00 0.00 O ATOM 225 CB GLU A 15 -11.707 -5.310 -14.818 1.00 0.00 C ATOM 226 CG GLU A 15 -12.927 -5.435 -15.736 1.00 0.00 C ATOM 227 CD GLU A 15 -13.526 -6.831 -15.603 1.00 0.00 C ATOM 228 OE1 GLU A 15 -14.250 -7.057 -14.647 1.00 0.00 O ATOM 229 OE2 GLU A 15 -13.252 -7.657 -16.458 1.00 0.00 O ATOM 0 H GLU A 15 -10.523 -4.087 -16.618 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.209 -3.233 -14.540 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.874 -5.884 -15.224 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.934 -5.727 -13.837 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.671 -4.683 -15.474 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.637 -5.250 -16.770 1.00 0.00 H new ATOM 236 N GLN A 16 -9.123 -4.070 -13.642 1.00 0.00 N ATOM 237 CA GLN A 16 -8.139 -3.957 -12.561 1.00 0.00 C ATOM 238 C GLN A 16 -7.955 -2.494 -12.157 1.00 0.00 C ATOM 239 O GLN A 16 -7.966 -2.162 -10.971 1.00 0.00 O ATOM 240 CB GLN A 16 -6.785 -4.527 -12.996 1.00 0.00 C ATOM 241 CG GLN A 16 -6.810 -6.055 -12.891 1.00 0.00 C ATOM 242 CD GLN A 16 -5.397 -6.572 -12.640 1.00 0.00 C ATOM 243 OE1 GLN A 16 -5.080 -7.024 -11.540 1.00 0.00 O ATOM 244 NE2 GLN A 16 -4.516 -6.530 -13.604 1.00 0.00 N ATOM 0 H GLN A 16 -8.758 -4.467 -14.508 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.513 -4.527 -11.711 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.566 -4.227 -14.021 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.991 -4.123 -12.368 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.471 -6.363 -12.081 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.209 -6.487 -13.809 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.776 -6.156 -14.517 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.568 -6.871 -13.444 1.00 0.00 H new ATOM 253 N LYS A 17 -7.801 -1.624 -13.162 1.00 0.00 N ATOM 254 CA LYS A 17 -7.630 -0.193 -12.905 1.00 0.00 C ATOM 255 C LYS A 17 -8.905 0.402 -12.299 1.00 0.00 C ATOM 256 O LYS A 17 -8.842 1.340 -11.506 1.00 0.00 O ATOM 257 CB LYS A 17 -7.292 0.555 -14.198 1.00 0.00 C ATOM 258 CG LYS A 17 -5.771 0.707 -14.316 1.00 0.00 C ATOM 259 CD LYS A 17 -5.187 -0.503 -15.056 1.00 0.00 C ATOM 260 CE LYS A 17 -4.624 -0.058 -16.409 1.00 0.00 C ATOM 261 NZ LYS A 17 -5.735 0.077 -17.397 1.00 0.00 N ATOM 0 H LYS A 17 -7.791 -1.883 -14.148 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.807 -0.079 -12.200 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.682 0.011 -15.058 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.768 1.536 -14.199 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.528 1.625 -14.851 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.326 0.789 -13.324 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.401 -0.963 -14.457 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.959 -1.259 -15.203 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.103 0.893 -16.302 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.893 -0.784 -16.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.349 0.379 -18.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.214 -0.839 -17.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.417 0.785 -17.058 1.00 0.00 H new ATOM 275 N ASN A 18 -10.061 -0.165 -12.670 1.00 0.00 N ATOM 276 CA ASN A 18 -11.346 0.304 -12.143 1.00 0.00 C ATOM 277 C ASN A 18 -11.405 0.068 -10.635 1.00 0.00 C ATOM 278 O ASN A 18 -11.765 0.965 -9.869 1.00 0.00 O ATOM 279 CB ASN A 18 -12.511 -0.434 -12.815 1.00 0.00 C ATOM 280 CG ASN A 18 -13.215 0.502 -13.793 1.00 0.00 C ATOM 281 OD1 ASN A 18 -14.298 1.010 -13.505 1.00 0.00 O ATOM 282 ND2 ASN A 18 -12.661 0.761 -14.948 1.00 0.00 N ATOM 0 H ASN A 18 -10.131 -0.942 -13.327 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.434 1.370 -12.355 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.142 -1.315 -13.341 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -13.216 -0.785 -12.061 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -13.126 1.383 -15.609 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -11.763 0.341 -15.189 1.00 0.00 H new ATOM 289 N GLU A 19 -11.024 -1.147 -10.219 1.00 0.00 N ATOM 290 CA GLU A 19 -11.011 -1.497 -8.795 1.00 0.00 C ATOM 291 C GLU A 19 -9.967 -0.656 -8.068 1.00 0.00 C ATOM 292 O GLU A 19 -10.212 -0.149 -6.973 1.00 0.00 O ATOM 293 CB GLU A 19 -10.671 -2.978 -8.597 1.00 0.00 C ATOM 294 CG GLU A 19 -11.696 -3.845 -9.328 1.00 0.00 C ATOM 295 CD GLU A 19 -11.822 -5.192 -8.623 1.00 0.00 C ATOM 296 OE1 GLU A 19 -12.473 -5.240 -7.590 1.00 0.00 O ATOM 297 OE2 GLU A 19 -11.267 -6.156 -9.123 1.00 0.00 O ATOM 0 H GLU A 19 -10.724 -1.897 -10.842 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.004 -1.302 -8.391 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.670 -3.185 -8.975 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.667 -3.221 -7.534 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.663 -3.343 -9.350 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.390 -3.992 -10.364 1.00 0.00 H new ATOM 304 N PHE A 20 -8.799 -0.513 -8.703 1.00 0.00 N ATOM 305 CA PHE A 20 -7.703 0.274 -8.133 1.00 0.00 C ATOM 306 C PHE A 20 -8.120 1.736 -7.959 1.00 0.00 C ATOM 307 O PHE A 20 -7.808 2.362 -6.946 1.00 0.00 O ATOM 308 CB PHE A 20 -6.470 0.213 -9.046 1.00 0.00 C ATOM 309 CG PHE A 20 -5.645 -1.021 -8.744 1.00 0.00 C ATOM 310 CD1 PHE A 20 -6.220 -2.126 -8.097 1.00 0.00 C ATOM 311 CD2 PHE A 20 -4.299 -1.058 -9.120 1.00 0.00 C ATOM 312 CE1 PHE A 20 -5.447 -3.259 -7.829 1.00 0.00 C ATOM 313 CE2 PHE A 20 -3.526 -2.191 -8.852 1.00 0.00 C ATOM 314 CZ PHE A 20 -4.100 -3.293 -8.206 1.00 0.00 C ATOM 0 H PHE A 20 -8.590 -0.931 -9.609 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.459 -0.150 -7.159 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.784 0.201 -10.090 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.862 1.107 -8.906 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.260 -2.101 -7.806 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.855 -0.209 -9.619 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.890 -4.109 -7.331 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.486 -2.217 -9.143 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.503 -4.169 -7.999 1.00 0.00 H new ATOM 324 N LYS A 21 -8.835 2.266 -8.959 1.00 0.00 N ATOM 325 CA LYS A 21 -9.300 3.655 -8.913 1.00 0.00 C ATOM 326 C LYS A 21 -10.304 3.841 -7.777 1.00 0.00 C ATOM 327 O LYS A 21 -10.255 4.834 -7.054 1.00 0.00 O ATOM 328 CB LYS A 21 -9.957 4.052 -10.241 1.00 0.00 C ATOM 329 CG LYS A 21 -10.252 5.557 -10.251 1.00 0.00 C ATOM 330 CD LYS A 21 -8.947 6.342 -10.077 1.00 0.00 C ATOM 331 CE LYS A 21 -9.219 7.838 -10.263 1.00 0.00 C ATOM 332 NZ LYS A 21 -9.677 8.429 -8.972 1.00 0.00 N ATOM 0 H LYS A 21 -9.102 1.758 -9.802 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.434 4.294 -8.740 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.300 3.796 -11.072 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.881 3.491 -10.381 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.733 5.837 -11.188 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.947 5.806 -9.449 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.529 6.158 -9.087 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.208 6.003 -10.803 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.315 8.342 -10.605 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.977 7.987 -11.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.861 9.444 -9.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.550 7.955 -8.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.940 8.300 -8.250 1.00 0.00 H new ATOM 346 N ALA A 22 -11.208 2.867 -7.623 1.00 0.00 N ATOM 347 CA ALA A 22 -12.210 2.928 -6.559 1.00 0.00 C ATOM 348 C ALA A 22 -11.533 2.801 -5.196 1.00 0.00 C ATOM 349 O ALA A 22 -11.828 3.561 -4.273 1.00 0.00 O ATOM 350 CB ALA A 22 -13.238 1.805 -6.716 1.00 0.00 C ATOM 0 H ALA A 22 -11.265 2.038 -8.215 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.721 3.888 -6.629 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.973 1.870 -5.914 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.741 1.904 -7.678 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.733 0.840 -6.668 1.00 0.00 H new ATOM 356 N ALA A 23 -10.604 1.842 -5.091 1.00 0.00 N ATOM 357 CA ALA A 23 -9.861 1.623 -3.845 1.00 0.00 C ATOM 358 C ALA A 23 -9.027 2.861 -3.493 1.00 0.00 C ATOM 359 O ALA A 23 -8.729 3.110 -2.324 1.00 0.00 O ATOM 360 CB ALA A 23 -8.925 0.417 -3.983 1.00 0.00 C ATOM 0 H ALA A 23 -10.351 1.209 -5.850 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.585 1.433 -3.052 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.382 0.269 -3.050 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.511 -0.474 -4.207 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.216 0.597 -4.791 1.00 0.00 H new ATOM 366 N PHE A 24 -8.659 3.631 -4.521 1.00 0.00 N ATOM 367 CA PHE A 24 -7.869 4.843 -4.326 1.00 0.00 C ATOM 368 C PHE A 24 -8.779 6.019 -3.964 1.00 0.00 C ATOM 369 O PHE A 24 -8.593 6.665 -2.935 1.00 0.00 O ATOM 370 CB PHE A 24 -7.101 5.180 -5.614 1.00 0.00 C ATOM 371 CG PHE A 24 -5.878 6.014 -5.300 1.00 0.00 C ATOM 372 CD1 PHE A 24 -4.661 5.386 -5.005 1.00 0.00 C ATOM 373 CD2 PHE A 24 -5.958 7.412 -5.315 1.00 0.00 C ATOM 374 CE1 PHE A 24 -3.526 6.156 -4.724 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.823 8.181 -5.033 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.608 7.553 -4.739 1.00 0.00 C ATOM 0 H PHE A 24 -8.896 3.435 -5.493 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.165 4.669 -3.512 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.802 4.260 -6.117 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.751 5.722 -6.301 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.598 4.308 -4.994 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.895 7.897 -5.544 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.588 5.672 -4.496 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.885 9.259 -5.042 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.732 8.147 -4.523 1.00 0.00 H new ATOM 386 N ASP A 25 -9.757 6.287 -4.837 1.00 0.00 N ATOM 387 CA ASP A 25 -10.697 7.400 -4.642 1.00 0.00 C ATOM 388 C ASP A 25 -11.372 7.377 -3.265 1.00 0.00 C ATOM 389 O ASP A 25 -11.564 8.431 -2.656 1.00 0.00 O ATOM 390 CB ASP A 25 -11.783 7.375 -5.722 1.00 0.00 C ATOM 391 CG ASP A 25 -12.262 8.797 -5.999 1.00 0.00 C ATOM 392 OD1 ASP A 25 -11.647 9.459 -6.816 1.00 0.00 O ATOM 393 OD2 ASP A 25 -13.235 9.203 -5.387 1.00 0.00 O ATOM 0 H ASP A 25 -9.919 5.748 -5.687 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.107 8.314 -4.712 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.391 6.928 -6.636 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.619 6.756 -5.397 1.00 0.00 H new ATOM 398 N ILE A 26 -11.743 6.184 -2.780 1.00 0.00 N ATOM 399 CA ILE A 26 -12.407 6.079 -1.470 1.00 0.00 C ATOM 400 C ILE A 26 -11.550 6.713 -0.368 1.00 0.00 C ATOM 401 O ILE A 26 -12.075 7.346 0.551 1.00 0.00 O ATOM 402 CB ILE A 26 -12.698 4.615 -1.111 1.00 0.00 C ATOM 403 CG1 ILE A 26 -11.405 3.796 -1.180 1.00 0.00 C ATOM 404 CG2 ILE A 26 -13.726 4.047 -2.096 1.00 0.00 C ATOM 405 CD1 ILE A 26 -11.685 2.349 -0.775 1.00 0.00 C ATOM 0 H ILE A 26 -11.600 5.296 -3.261 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.351 6.619 -1.542 1.00 0.00 H new ATOM 0 HB ILE A 26 -13.097 4.562 -0.098 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.997 3.828 -2.190 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.654 4.229 -0.519 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -13.935 3.007 -1.844 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.647 4.627 -2.036 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.328 4.102 -3.109 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.762 1.772 -0.826 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.072 2.325 0.244 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.421 1.917 -1.453 1.00 0.00 H new ATOM 417 N PHE A 27 -10.229 6.551 -0.479 1.00 0.00 N ATOM 418 CA PHE A 27 -9.307 7.124 0.502 1.00 0.00 C ATOM 419 C PHE A 27 -9.007 8.589 0.166 1.00 0.00 C ATOM 420 O PHE A 27 -8.740 9.396 1.058 1.00 0.00 O ATOM 421 CB PHE A 27 -7.992 6.337 0.531 1.00 0.00 C ATOM 422 CG PHE A 27 -8.136 5.145 1.450 1.00 0.00 C ATOM 423 CD1 PHE A 27 -8.607 3.927 0.946 1.00 0.00 C ATOM 424 CD2 PHE A 27 -7.802 5.257 2.805 1.00 0.00 C ATOM 425 CE1 PHE A 27 -8.744 2.823 1.795 1.00 0.00 C ATOM 426 CE2 PHE A 27 -7.939 4.152 3.655 1.00 0.00 C ATOM 427 CZ PHE A 27 -8.410 2.936 3.149 1.00 0.00 C ATOM 0 H PHE A 27 -9.778 6.032 -1.232 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.783 7.067 1.481 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.733 6.005 -0.474 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.180 6.978 0.874 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.865 3.839 -0.099 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.438 6.196 3.195 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.108 1.884 1.405 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.681 4.239 4.700 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.516 2.084 3.804 1.00 0.00 H new ATOM 437 N ILE A 28 -9.054 8.923 -1.133 1.00 0.00 N ATOM 438 CA ILE A 28 -8.785 10.295 -1.583 1.00 0.00 C ATOM 439 C ILE A 28 -10.091 11.093 -1.685 1.00 0.00 C ATOM 440 O ILE A 28 -10.305 11.851 -2.636 1.00 0.00 O ATOM 441 CB ILE A 28 -8.083 10.288 -2.955 1.00 0.00 C ATOM 442 CG1 ILE A 28 -6.966 9.236 -2.989 1.00 0.00 C ATOM 443 CG2 ILE A 28 -7.467 11.658 -3.240 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.210 9.204 -1.656 1.00 0.00 C ATOM 0 H ILE A 28 -9.274 8.268 -1.883 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.132 10.767 -0.849 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.831 10.049 -3.711 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.391 8.254 -3.195 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.273 9.460 -3.800 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.974 11.640 -4.212 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.251 12.416 -3.244 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.736 11.896 -2.467 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.423 8.451 -1.702 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.767 10.181 -1.465 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.902 8.956 -0.851 1.00 0.00 H new ATOM 456 N GLN A 29 -10.959 10.921 -0.686 1.00 0.00 N ATOM 457 CA GLN A 29 -12.238 11.635 -0.660 1.00 0.00 C ATOM 458 C GLN A 29 -12.037 13.089 -0.219 1.00 0.00 C ATOM 459 O GLN A 29 -12.781 13.979 -0.634 1.00 0.00 O ATOM 460 CB GLN A 29 -13.243 10.950 0.283 1.00 0.00 C ATOM 461 CG GLN A 29 -12.586 10.647 1.637 1.00 0.00 C ATOM 462 CD GLN A 29 -13.663 10.461 2.703 1.00 0.00 C ATOM 463 OE1 GLN A 29 -14.554 11.299 2.849 1.00 0.00 O ATOM 464 NE2 GLN A 29 -13.632 9.404 3.469 1.00 0.00 N ATOM 0 H GLN A 29 -10.803 10.300 0.108 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.641 11.616 -1.673 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.111 11.593 0.429 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.603 10.026 -0.169 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.976 9.747 1.562 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.919 11.462 1.919 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.895 8.709 3.350 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.345 9.273 4.187 1.00 0.00 H new ATOM 473 N ASP A 30 -11.018 13.320 0.620 1.00 0.00 N ATOM 474 CA ASP A 30 -10.723 14.672 1.105 1.00 0.00 C ATOM 475 C ASP A 30 -9.214 14.863 1.330 1.00 0.00 C ATOM 476 O ASP A 30 -8.798 15.625 2.208 1.00 0.00 O ATOM 477 CB ASP A 30 -11.473 14.957 2.417 1.00 0.00 C ATOM 478 CG ASP A 30 -11.383 13.754 3.360 1.00 0.00 C ATOM 479 OD1 ASP A 30 -10.280 13.419 3.767 1.00 0.00 O ATOM 480 OD2 ASP A 30 -12.420 13.192 3.667 1.00 0.00 O ATOM 0 H ASP A 30 -10.392 12.596 0.973 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.058 15.373 0.340 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.050 15.838 2.900 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -12.518 15.182 2.204 1.00 0.00 H new ATOM 485 N ALA A 31 -8.401 14.173 0.523 1.00 0.00 N ATOM 486 CA ALA A 31 -6.946 14.280 0.640 1.00 0.00 C ATOM 487 C ALA A 31 -6.472 15.673 0.218 1.00 0.00 C ATOM 488 O ALA A 31 -7.103 16.336 -0.609 1.00 0.00 O ATOM 489 CB ALA A 31 -6.257 13.237 -0.241 1.00 0.00 C ATOM 0 H ALA A 31 -8.723 13.541 -0.210 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.684 14.106 1.684 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.176 13.333 -0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.563 12.238 0.070 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.540 13.396 -1.282 1.00 0.00 H new ATOM 495 N GLU A 32 -5.351 16.102 0.798 1.00 0.00 N ATOM 496 CA GLU A 32 -4.785 17.418 0.484 1.00 0.00 C ATOM 497 C GLU A 32 -3.972 17.360 -0.808 1.00 0.00 C ATOM 498 O GLU A 32 -4.090 18.232 -1.671 1.00 0.00 O ATOM 499 CB GLU A 32 -3.877 17.904 1.618 1.00 0.00 C ATOM 500 CG GLU A 32 -4.705 18.126 2.888 1.00 0.00 C ATOM 501 CD GLU A 32 -4.152 19.322 3.657 1.00 0.00 C ATOM 502 OE1 GLU A 32 -4.540 20.436 3.343 1.00 0.00 O ATOM 503 OE2 GLU A 32 -3.348 19.108 4.549 1.00 0.00 O ATOM 0 H GLU A 32 -4.819 15.564 1.482 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.616 18.113 0.362 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.093 17.171 1.808 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.383 18.831 1.328 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.749 18.299 2.628 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.676 17.234 3.514 1.00 0.00 H new ATOM 510 N ASP A 33 -3.143 16.320 -0.927 1.00 0.00 N ATOM 511 CA ASP A 33 -2.303 16.144 -2.114 1.00 0.00 C ATOM 512 C ASP A 33 -2.998 15.253 -3.145 1.00 0.00 C ATOM 513 O ASP A 33 -2.906 15.493 -4.350 1.00 0.00 O ATOM 514 CB ASP A 33 -0.963 15.507 -1.731 1.00 0.00 C ATOM 515 CG ASP A 33 -0.061 16.555 -1.084 1.00 0.00 C ATOM 516 OD1 ASP A 33 -0.290 16.878 0.071 1.00 0.00 O ATOM 517 OD2 ASP A 33 0.849 17.020 -1.753 1.00 0.00 O ATOM 0 H ASP A 33 -3.036 15.592 -0.221 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.131 17.129 -2.547 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.127 14.679 -1.042 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.480 15.094 -2.616 1.00 0.00 H new ATOM 522 N GLY A 34 -3.690 14.219 -2.656 1.00 0.00 N ATOM 523 CA GLY A 34 -4.397 13.289 -3.537 1.00 0.00 C ATOM 524 C GLY A 34 -3.694 11.934 -3.558 1.00 0.00 C ATOM 525 O GLY A 34 -3.381 11.399 -4.624 1.00 0.00 O ATOM 0 H GLY A 34 -3.774 14.007 -1.662 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.425 13.167 -3.197 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.442 13.698 -4.546 1.00 0.00 H new ATOM 529 N CYS A 35 -3.449 11.390 -2.364 1.00 0.00 N ATOM 530 CA CYS A 35 -2.777 10.095 -2.237 1.00 0.00 C ATOM 531 C CYS A 35 -3.128 9.435 -0.906 1.00 0.00 C ATOM 532 O CYS A 35 -3.699 10.066 -0.014 1.00 0.00 O ATOM 533 CB CYS A 35 -1.252 10.253 -2.323 1.00 0.00 C ATOM 534 SG CYS A 35 -0.769 11.933 -1.845 1.00 0.00 S ATOM 0 H CYS A 35 -3.704 11.823 -1.476 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.121 9.469 -3.060 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.767 9.528 -1.670 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.914 10.045 -3.338 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.552 11.974 -0.564 1.00 0.00 H new ATOM 540 N ILE A 36 -2.772 8.156 -0.784 1.00 0.00 N ATOM 541 CA ILE A 36 -3.044 7.408 0.447 1.00 0.00 C ATOM 542 C ILE A 36 -1.769 7.286 1.281 1.00 0.00 C ATOM 543 O ILE A 36 -0.719 7.805 0.903 1.00 0.00 O ATOM 544 CB ILE A 36 -3.591 6.006 0.129 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.606 5.245 -0.767 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.935 6.133 -0.590 1.00 0.00 C ATOM 547 CD1 ILE A 36 -1.988 4.083 0.015 1.00 0.00 C ATOM 0 H ILE A 36 -2.300 7.620 -1.512 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.797 7.954 1.015 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.722 5.458 1.062 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.120 4.868 -1.651 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.823 5.918 -1.116 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.322 5.139 -0.815 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.642 6.661 0.050 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.800 6.689 -1.518 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.289 3.545 -0.625 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.459 4.471 0.885 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.776 3.405 0.342 1.00 0.00 H new ATOM 559 N SER A 37 -1.868 6.598 2.417 1.00 0.00 N ATOM 560 CA SER A 37 -0.710 6.417 3.288 1.00 0.00 C ATOM 561 C SER A 37 -0.001 5.106 2.961 1.00 0.00 C ATOM 562 O SER A 37 -0.644 4.082 2.718 1.00 0.00 O ATOM 563 CB SER A 37 -1.136 6.404 4.758 1.00 0.00 C ATOM 564 OG SER A 37 -0.119 7.009 5.547 1.00 0.00 O ATOM 0 H SER A 37 -2.727 6.162 2.752 1.00 0.00 H new ATOM 0 HA SER A 37 -0.029 7.252 3.120 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.076 6.942 4.881 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.309 5.380 5.090 1.00 0.00 H new ATOM 0 HG SER A 37 -0.389 7.004 6.489 1.00 0.00 H new ATOM 570 N THR A 38 1.332 5.151 2.966 1.00 0.00 N ATOM 571 CA THR A 38 2.138 3.958 2.679 1.00 0.00 C ATOM 572 C THR A 38 1.791 2.833 3.657 1.00 0.00 C ATOM 573 O THR A 38 1.653 1.674 3.265 1.00 0.00 O ATOM 574 CB THR A 38 3.636 4.273 2.785 1.00 0.00 C ATOM 575 OG1 THR A 38 3.885 5.023 3.968 1.00 0.00 O ATOM 576 CG2 THR A 38 4.075 5.082 1.563 1.00 0.00 C ATOM 0 H THR A 38 1.875 5.992 3.163 1.00 0.00 H new ATOM 0 HA THR A 38 1.912 3.639 1.661 1.00 0.00 H new ATOM 0 HB THR A 38 4.200 3.341 2.825 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.782 5.979 3.777 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.139 5.306 1.638 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.889 4.504 0.658 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.510 6.013 1.521 1.00 0.00 H new ATOM 584 N LYS A 39 1.640 3.197 4.935 1.00 0.00 N ATOM 585 CA LYS A 39 1.291 2.223 5.972 1.00 0.00 C ATOM 586 C LYS A 39 -0.170 1.768 5.836 1.00 0.00 C ATOM 587 O LYS A 39 -0.542 0.697 6.321 1.00 0.00 O ATOM 588 CB LYS A 39 1.506 2.832 7.364 1.00 0.00 C ATOM 589 CG LYS A 39 0.537 4.002 7.585 1.00 0.00 C ATOM 590 CD LYS A 39 1.184 5.043 8.503 1.00 0.00 C ATOM 591 CE LYS A 39 2.132 5.932 7.690 1.00 0.00 C ATOM 592 NZ LYS A 39 3.321 6.285 8.518 1.00 0.00 N ATOM 0 H LYS A 39 1.753 4.153 5.274 1.00 0.00 H new ATOM 0 HA LYS A 39 1.940 1.356 5.847 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.351 2.072 8.130 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.535 3.178 7.463 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.278 4.457 6.629 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.391 3.640 8.028 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.414 5.653 8.976 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.733 4.546 9.303 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.448 5.412 6.785 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.615 6.838 7.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.963 6.888 7.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.012 6.797 9.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.819 5.416 8.799 1.00 0.00 H new ATOM 606 N GLU A 40 -0.994 2.594 5.170 1.00 0.00 N ATOM 607 CA GLU A 40 -2.410 2.268 4.976 1.00 0.00 C ATOM 608 C GLU A 40 -2.627 1.365 3.752 1.00 0.00 C ATOM 609 O GLU A 40 -3.767 1.027 3.426 1.00 0.00 O ATOM 610 CB GLU A 40 -3.227 3.552 4.792 1.00 0.00 C ATOM 611 CG GLU A 40 -4.662 3.328 5.279 1.00 0.00 C ATOM 612 CD GLU A 40 -5.166 4.587 5.980 1.00 0.00 C ATOM 613 OE1 GLU A 40 -5.501 5.536 5.289 1.00 0.00 O ATOM 614 OE2 GLU A 40 -5.209 4.585 7.198 1.00 0.00 O ATOM 0 H GLU A 40 -0.705 3.483 4.762 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.741 1.732 5.866 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.768 4.369 5.348 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.231 3.844 3.742 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.309 3.085 4.436 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.697 2.480 5.963 1.00 0.00 H new ATOM 621 N LEU A 41 -1.535 0.970 3.077 1.00 0.00 N ATOM 622 CA LEU A 41 -1.650 0.100 1.902 1.00 0.00 C ATOM 623 C LEU A 41 -2.317 -1.224 2.278 1.00 0.00 C ATOM 624 O LEU A 41 -3.127 -1.763 1.525 1.00 0.00 O ATOM 625 CB LEU A 41 -0.276 -0.190 1.299 1.00 0.00 C ATOM 626 CG LEU A 41 -0.213 -0.071 -0.222 1.00 0.00 C ATOM 627 CD1 LEU A 41 1.218 -0.326 -0.700 1.00 0.00 C ATOM 628 CD2 LEU A 41 -1.158 -1.097 -0.855 1.00 0.00 C ATOM 0 H LEU A 41 -0.581 1.235 3.321 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.261 0.622 1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.450 0.496 1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.027 -1.197 1.585 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.517 0.933 -0.519 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.260 -0.240 -1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.888 0.408 -0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.528 -1.328 -0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.113 -1.012 -1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.857 -2.101 -0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.178 -0.909 -0.518 1.00 0.00 H new ATOM 640 N GLY A 42 -1.975 -1.733 3.461 1.00 0.00 N ATOM 641 CA GLY A 42 -2.557 -2.988 3.944 1.00 0.00 C ATOM 642 C GLY A 42 -4.079 -2.870 4.102 1.00 0.00 C ATOM 643 O GLY A 42 -4.785 -3.879 4.130 1.00 0.00 O ATOM 0 H GLY A 42 -1.305 -1.302 4.098 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.323 -3.793 3.247 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.109 -3.255 4.901 1.00 0.00 H new ATOM 647 N LYS A 43 -4.574 -1.627 4.203 1.00 0.00 N ATOM 648 CA LYS A 43 -6.006 -1.383 4.357 1.00 0.00 C ATOM 649 C LYS A 43 -6.716 -1.374 3.000 1.00 0.00 C ATOM 650 O LYS A 43 -7.822 -1.906 2.871 1.00 0.00 O ATOM 651 CB LYS A 43 -6.238 -0.037 5.050 1.00 0.00 C ATOM 652 CG LYS A 43 -7.634 -0.009 5.674 1.00 0.00 C ATOM 653 CD LYS A 43 -7.657 -0.889 6.927 1.00 0.00 C ATOM 654 CE LYS A 43 -8.976 -0.680 7.677 1.00 0.00 C ATOM 655 NZ LYS A 43 -10.037 -1.540 7.078 1.00 0.00 N ATOM 0 H LYS A 43 -4.002 -0.783 4.180 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.417 -2.190 4.963 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.482 0.121 5.820 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.135 0.775 4.331 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.907 1.014 5.931 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.372 -0.365 4.955 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.547 -1.937 6.650 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.816 -0.640 7.574 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.848 -0.925 8.732 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.272 0.368 7.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.931 -1.396 7.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.166 -1.286 6.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.755 -2.539 7.149 1.00 0.00 H new ATOM 669 N VAL A 44 -6.079 -0.765 1.990 1.00 0.00 N ATOM 670 CA VAL A 44 -6.680 -0.699 0.653 1.00 0.00 C ATOM 671 C VAL A 44 -6.735 -2.090 0.015 1.00 0.00 C ATOM 672 O VAL A 44 -7.703 -2.426 -0.668 1.00 0.00 O ATOM 673 CB VAL A 44 -5.909 0.263 -0.268 1.00 0.00 C ATOM 674 CG1 VAL A 44 -6.100 1.701 0.218 1.00 0.00 C ATOM 675 CG2 VAL A 44 -4.415 -0.071 -0.263 1.00 0.00 C ATOM 0 H VAL A 44 -5.165 -0.319 2.071 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.694 -0.318 0.774 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.295 0.156 -1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.553 2.381 -0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.160 1.954 0.200 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.723 1.794 1.236 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.886 0.619 -0.920 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.025 0.021 0.751 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.269 -1.092 -0.616 1.00 0.00 H new ATOM 685 N MET A 45 -5.694 -2.900 0.254 1.00 0.00 N ATOM 686 CA MET A 45 -5.648 -4.258 -0.296 1.00 0.00 C ATOM 687 C MET A 45 -6.659 -5.158 0.416 1.00 0.00 C ATOM 688 O MET A 45 -7.259 -6.038 -0.200 1.00 0.00 O ATOM 689 CB MET A 45 -4.247 -4.858 -0.143 1.00 0.00 C ATOM 690 CG MET A 45 -3.237 -3.996 -0.902 1.00 0.00 C ATOM 691 SD MET A 45 -1.605 -4.774 -0.829 1.00 0.00 S ATOM 692 CE MET A 45 -1.179 -4.238 0.846 1.00 0.00 C ATOM 0 H MET A 45 -4.884 -2.641 0.817 1.00 0.00 H new ATOM 0 HA MET A 45 -5.898 -4.197 -1.355 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.976 -4.911 0.911 1.00 0.00 H new ATOM 0 HB3 MET A 45 -4.233 -5.878 -0.528 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.550 -3.879 -1.940 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.195 -2.997 -0.467 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.398 -3.479 0.798 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.062 -3.820 1.330 1.00 0.00 H new ATOM 0 HE3 MET A 45 -0.821 -5.092 1.421 1.00 0.00 H new ATOM 702 N ARG A 46 -6.843 -4.919 1.718 1.00 0.00 N ATOM 703 CA ARG A 46 -7.792 -5.704 2.514 1.00 0.00 C ATOM 704 C ARG A 46 -9.215 -5.535 1.975 1.00 0.00 C ATOM 705 O ARG A 46 -9.985 -6.495 1.916 1.00 0.00 O ATOM 706 CB ARG A 46 -7.758 -5.267 3.982 1.00 0.00 C ATOM 707 CG ARG A 46 -6.831 -6.198 4.772 1.00 0.00 C ATOM 708 CD ARG A 46 -6.630 -5.645 6.186 1.00 0.00 C ATOM 709 NE ARG A 46 -7.891 -5.652 6.934 1.00 0.00 N ATOM 710 CZ ARG A 46 -8.367 -6.764 7.516 1.00 0.00 C ATOM 711 NH1 ARG A 46 -7.713 -7.900 7.437 1.00 0.00 N ATOM 712 NH2 ARG A 46 -9.498 -6.715 8.173 1.00 0.00 N ATOM 0 H ARG A 46 -6.351 -4.194 2.240 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.499 -6.752 2.443 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.408 -4.238 4.058 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.763 -5.294 4.404 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.259 -7.199 4.820 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.870 -6.286 4.265 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.887 -6.243 6.713 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.240 -4.628 6.131 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.423 -4.785 7.015 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.830 -7.946 6.928 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.088 -8.736 7.885 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.011 -5.836 8.240 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.866 -7.556 8.618 1.00 0.00 H new ATOM 726 N MET A 47 -9.548 -4.303 1.575 1.00 0.00 N ATOM 727 CA MET A 47 -10.877 -4.010 1.029 1.00 0.00 C ATOM 728 C MET A 47 -10.983 -4.486 -0.423 1.00 0.00 C ATOM 729 O MET A 47 -12.037 -4.951 -0.859 1.00 0.00 O ATOM 730 CB MET A 47 -11.159 -2.506 1.083 1.00 0.00 C ATOM 731 CG MET A 47 -11.745 -2.143 2.448 1.00 0.00 C ATOM 732 SD MET A 47 -12.554 -0.526 2.349 1.00 0.00 S ATOM 733 CE MET A 47 -14.134 -1.101 1.679 1.00 0.00 C ATOM 0 H MET A 47 -8.922 -3.499 1.618 1.00 0.00 H new ATOM 0 HA MET A 47 -11.611 -4.540 1.636 1.00 0.00 H new ATOM 0 HB2 MET A 47 -10.239 -1.947 0.910 1.00 0.00 H new ATOM 0 HB3 MET A 47 -11.855 -2.227 0.291 1.00 0.00 H new ATOM 0 HG2 MET A 47 -12.462 -2.902 2.761 1.00 0.00 H new ATOM 0 HG3 MET A 47 -10.956 -2.121 3.200 1.00 0.00 H new ATOM 0 HE1 MET A 47 -14.495 -0.389 0.937 1.00 0.00 H new ATOM 0 HE2 MET A 47 -13.997 -2.075 1.210 1.00 0.00 H new ATOM 0 HE3 MET A 47 -14.862 -1.186 2.486 1.00 0.00 H new ATOM 743 N LEU A 48 -9.873 -4.363 -1.162 1.00 0.00 N ATOM 744 CA LEU A 48 -9.833 -4.782 -2.567 1.00 0.00 C ATOM 745 C LEU A 48 -10.100 -6.284 -2.699 1.00 0.00 C ATOM 746 O LEU A 48 -10.866 -6.714 -3.565 1.00 0.00 O ATOM 747 CB LEU A 48 -8.462 -4.465 -3.172 1.00 0.00 C ATOM 748 CG LEU A 48 -8.466 -4.065 -4.652 1.00 0.00 C ATOM 749 CD1 LEU A 48 -9.365 -2.843 -4.859 1.00 0.00 C ATOM 750 CD2 LEU A 48 -7.037 -3.723 -5.081 1.00 0.00 C ATOM 0 H LEU A 48 -8.995 -3.979 -0.812 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.610 -4.235 -3.101 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.010 -3.657 -2.597 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.821 -5.339 -3.052 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.846 -4.893 -5.251 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.363 -2.564 -5.913 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.382 -3.083 -4.549 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.991 -2.011 -4.263 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.031 -3.437 -6.133 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.664 -2.895 -4.478 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.396 -4.593 -4.938 1.00 0.00 H new ATOM 762 N GLY A 49 -9.459 -7.073 -1.831 1.00 0.00 N ATOM 763 CA GLY A 49 -9.628 -8.528 -1.853 1.00 0.00 C ATOM 764 C GLY A 49 -8.281 -9.233 -1.712 1.00 0.00 C ATOM 765 O GLY A 49 -7.924 -10.082 -2.530 1.00 0.00 O ATOM 0 H GLY A 49 -8.823 -6.732 -1.110 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.290 -8.834 -1.043 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -10.105 -8.829 -2.786 1.00 0.00 H new ATOM 769 N GLN A 50 -7.540 -8.869 -0.661 1.00 0.00 N ATOM 770 CA GLN A 50 -6.227 -9.465 -0.406 1.00 0.00 C ATOM 771 C GLN A 50 -5.871 -9.352 1.076 1.00 0.00 C ATOM 772 O GLN A 50 -6.344 -8.453 1.774 1.00 0.00 O ATOM 773 CB GLN A 50 -5.147 -8.758 -1.231 1.00 0.00 C ATOM 774 CG GLN A 50 -4.823 -9.590 -2.474 1.00 0.00 C ATOM 775 CD GLN A 50 -3.345 -9.438 -2.823 1.00 0.00 C ATOM 776 OE1 GLN A 50 -2.531 -10.300 -2.488 1.00 0.00 O ATOM 777 NE2 GLN A 50 -2.944 -8.384 -3.481 1.00 0.00 N ATOM 0 H GLN A 50 -7.826 -8.168 0.023 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.273 -10.516 -0.693 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.491 -7.766 -1.524 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.249 -8.619 -0.630 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.058 -10.639 -2.293 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.440 -9.265 -3.312 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.617 -7.670 -3.759 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.958 -8.275 -3.717 1.00 0.00 H new ATOM 786 N ASN A 51 -5.029 -10.273 1.547 1.00 0.00 N ATOM 787 CA ASN A 51 -4.614 -10.266 2.948 1.00 0.00 C ATOM 788 C ASN A 51 -3.128 -10.624 3.073 1.00 0.00 C ATOM 789 O ASN A 51 -2.772 -11.759 3.398 1.00 0.00 O ATOM 790 CB ASN A 51 -5.455 -11.259 3.761 1.00 0.00 C ATOM 791 CG ASN A 51 -5.468 -10.837 5.227 1.00 0.00 C ATOM 792 OD1 ASN A 51 -6.249 -9.971 5.623 1.00 0.00 O ATOM 793 ND2 ASN A 51 -4.641 -11.401 6.066 1.00 0.00 N ATOM 0 H ASN A 51 -4.626 -11.024 0.986 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.769 -9.262 3.342 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.473 -11.293 3.373 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.044 -12.264 3.665 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.643 -11.124 7.048 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.994 -12.118 5.740 1.00 0.00 H new ATOM 800 N PRO A 52 -2.246 -9.648 2.816 1.00 0.00 N ATOM 801 CA PRO A 52 -0.788 -9.853 2.904 1.00 0.00 C ATOM 802 C PRO A 52 -0.265 -9.736 4.337 1.00 0.00 C ATOM 803 O PRO A 52 -1.038 -9.708 5.298 1.00 0.00 O ATOM 804 CB PRO A 52 -0.249 -8.715 2.044 1.00 0.00 C ATOM 805 CG PRO A 52 -1.314 -7.628 2.027 1.00 0.00 C ATOM 806 CD PRO A 52 -2.645 -8.279 2.421 1.00 0.00 C ATOM 0 HA PRO A 52 -0.485 -10.849 2.580 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.686 -8.332 2.453 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.037 -9.063 1.033 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.057 -6.829 2.723 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.386 -7.178 1.037 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.126 -7.747 3.242 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.350 -8.289 1.590 1.00 0.00 H new ATOM 814 N THR A 53 1.058 -9.658 4.459 1.00 0.00 N ATOM 815 CA THR A 53 1.704 -9.530 5.766 1.00 0.00 C ATOM 816 C THR A 53 2.362 -8.148 5.877 1.00 0.00 C ATOM 817 O THR A 53 2.358 -7.377 4.914 1.00 0.00 O ATOM 818 CB THR A 53 2.764 -10.634 5.954 1.00 0.00 C ATOM 819 OG1 THR A 53 3.989 -10.236 5.349 1.00 0.00 O ATOM 820 CG2 THR A 53 2.280 -11.938 5.314 1.00 0.00 C ATOM 0 H THR A 53 1.704 -9.681 3.670 1.00 0.00 H new ATOM 0 HA THR A 53 0.951 -9.638 6.546 1.00 0.00 H new ATOM 0 HB THR A 53 2.922 -10.793 7.021 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.398 -11.006 4.901 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.034 -12.713 5.451 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.349 -12.251 5.786 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.112 -11.780 4.249 1.00 0.00 H new ATOM 828 N PRO A 54 2.943 -7.818 7.038 1.00 0.00 N ATOM 829 CA PRO A 54 3.610 -6.515 7.231 1.00 0.00 C ATOM 830 C PRO A 54 4.969 -6.441 6.532 1.00 0.00 C ATOM 831 O PRO A 54 5.418 -5.362 6.142 1.00 0.00 O ATOM 832 CB PRO A 54 3.756 -6.439 8.744 1.00 0.00 C ATOM 833 CG PRO A 54 3.714 -7.866 9.268 1.00 0.00 C ATOM 834 CD PRO A 54 2.986 -8.711 8.218 1.00 0.00 C ATOM 0 HA PRO A 54 3.047 -5.686 6.801 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.694 -5.956 9.017 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.953 -5.845 9.179 1.00 0.00 H new ATOM 0 HG2 PRO A 54 4.722 -8.245 9.435 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.194 -7.910 10.225 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.521 -9.636 8.004 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.986 -8.990 8.549 1.00 0.00 H new ATOM 842 N GLU A 55 5.607 -7.602 6.364 1.00 0.00 N ATOM 843 CA GLU A 55 6.909 -7.668 5.693 1.00 0.00 C ATOM 844 C GLU A 55 6.729 -7.695 4.169 1.00 0.00 C ATOM 845 O GLU A 55 7.559 -7.167 3.426 1.00 0.00 O ATOM 846 CB GLU A 55 7.692 -8.914 6.134 1.00 0.00 C ATOM 847 CG GLU A 55 6.860 -10.181 5.897 1.00 0.00 C ATOM 848 CD GLU A 55 7.747 -11.414 6.042 1.00 0.00 C ATOM 849 OE1 GLU A 55 8.324 -11.825 5.048 1.00 0.00 O ATOM 850 OE2 GLU A 55 7.834 -11.933 7.144 1.00 0.00 O ATOM 0 H GLU A 55 5.247 -8.503 6.680 1.00 0.00 H new ATOM 0 HA GLU A 55 7.472 -6.778 5.975 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.629 -8.978 5.580 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.951 -8.834 7.190 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.038 -10.227 6.611 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.416 -10.155 4.902 1.00 0.00 H new ATOM 857 N GLU A 56 5.631 -8.315 3.717 1.00 0.00 N ATOM 858 CA GLU A 56 5.338 -8.408 2.284 1.00 0.00 C ATOM 859 C GLU A 56 4.879 -7.055 1.741 1.00 0.00 C ATOM 860 O GLU A 56 5.442 -6.541 0.773 1.00 0.00 O ATOM 861 CB GLU A 56 4.244 -9.450 2.027 1.00 0.00 C ATOM 862 CG GLU A 56 4.108 -9.702 0.524 1.00 0.00 C ATOM 863 CD GLU A 56 3.051 -10.775 0.281 1.00 0.00 C ATOM 864 OE1 GLU A 56 1.893 -10.418 0.140 1.00 0.00 O ATOM 865 OE2 GLU A 56 3.414 -11.940 0.244 1.00 0.00 O ATOM 0 H GLU A 56 4.936 -8.756 4.320 1.00 0.00 H new ATOM 0 HA GLU A 56 6.252 -8.710 1.773 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.488 -10.380 2.540 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.295 -9.101 2.434 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.829 -8.780 0.014 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.065 -10.019 0.110 1.00 0.00 H new ATOM 872 N LEU A 57 3.852 -6.483 2.382 1.00 0.00 N ATOM 873 CA LEU A 57 3.320 -5.182 1.964 1.00 0.00 C ATOM 874 C LEU A 57 4.419 -4.110 1.991 1.00 0.00 C ATOM 875 O LEU A 57 4.434 -3.207 1.154 1.00 0.00 O ATOM 876 CB LEU A 57 2.143 -4.768 2.868 1.00 0.00 C ATOM 877 CG LEU A 57 2.263 -3.408 3.572 1.00 0.00 C ATOM 878 CD1 LEU A 57 0.867 -2.839 3.826 1.00 0.00 C ATOM 879 CD2 LEU A 57 2.992 -3.582 4.908 1.00 0.00 C ATOM 0 H LEU A 57 3.377 -6.897 3.184 1.00 0.00 H new ATOM 0 HA LEU A 57 2.958 -5.274 0.940 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.236 -4.760 2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.012 -5.536 3.630 1.00 0.00 H new ATOM 0 HG LEU A 57 2.826 -2.723 2.938 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.953 -1.874 4.326 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.348 -2.711 2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.304 -3.526 4.458 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.076 -2.616 5.405 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.431 -4.269 5.542 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.989 -3.985 4.729 1.00 0.00 H new ATOM 891 N GLN A 58 5.341 -4.227 2.958 1.00 0.00 N ATOM 892 CA GLN A 58 6.444 -3.267 3.081 1.00 0.00 C ATOM 893 C GLN A 58 7.312 -3.273 1.821 1.00 0.00 C ATOM 894 O GLN A 58 7.702 -2.216 1.320 1.00 0.00 O ATOM 895 CB GLN A 58 7.324 -3.601 4.291 1.00 0.00 C ATOM 896 CG GLN A 58 8.093 -2.350 4.733 1.00 0.00 C ATOM 897 CD GLN A 58 7.130 -1.362 5.390 1.00 0.00 C ATOM 898 OE1 GLN A 58 6.846 -1.465 6.583 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.608 -0.402 4.675 1.00 0.00 N ATOM 0 H GLN A 58 5.344 -4.969 3.658 1.00 0.00 H new ATOM 0 HA GLN A 58 6.004 -2.279 3.214 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.707 -3.969 5.111 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.023 -4.398 4.036 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.882 -2.624 5.433 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.576 -1.885 3.874 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.843 -0.317 3.686 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.965 0.263 5.105 1.00 0.00 H new ATOM 908 N GLU A 59 7.601 -4.476 1.313 1.00 0.00 N ATOM 909 CA GLU A 59 8.418 -4.618 0.104 1.00 0.00 C ATOM 910 C GLU A 59 7.777 -3.881 -1.072 1.00 0.00 C ATOM 911 O GLU A 59 8.474 -3.292 -1.898 1.00 0.00 O ATOM 912 CB GLU A 59 8.581 -6.097 -0.270 1.00 0.00 C ATOM 913 CG GLU A 59 9.705 -6.720 0.561 1.00 0.00 C ATOM 914 CD GLU A 59 11.049 -6.458 -0.116 1.00 0.00 C ATOM 915 OE1 GLU A 59 11.411 -7.232 -0.987 1.00 0.00 O ATOM 916 OE2 GLU A 59 11.693 -5.488 0.245 1.00 0.00 O ATOM 0 H GLU A 59 7.284 -5.358 1.716 1.00 0.00 H new ATOM 0 HA GLU A 59 9.396 -4.185 0.316 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.647 -6.631 -0.094 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.807 -6.190 -1.332 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.704 -6.298 1.566 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.542 -7.793 0.665 1.00 0.00 H new ATOM 923 N MET A 60 6.442 -3.912 -1.132 1.00 0.00 N ATOM 924 CA MET A 60 5.715 -3.236 -2.207 1.00 0.00 C ATOM 925 C MET A 60 5.819 -1.722 -2.051 1.00 0.00 C ATOM 926 O MET A 60 6.143 -1.018 -3.006 1.00 0.00 O ATOM 927 CB MET A 60 4.235 -3.637 -2.199 1.00 0.00 C ATOM 928 CG MET A 60 4.101 -5.125 -2.528 1.00 0.00 C ATOM 929 SD MET A 60 2.427 -5.462 -3.125 1.00 0.00 S ATOM 930 CE MET A 60 1.887 -6.477 -1.728 1.00 0.00 C ATOM 0 H MET A 60 5.849 -4.393 -0.456 1.00 0.00 H new ATOM 0 HA MET A 60 6.165 -3.538 -3.153 1.00 0.00 H new ATOM 0 HB2 MET A 60 3.798 -3.430 -1.222 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.684 -3.043 -2.928 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.832 -5.408 -3.285 1.00 0.00 H new ATOM 0 HG3 MET A 60 4.310 -5.725 -1.642 1.00 0.00 H new ATOM 0 HE1 MET A 60 0.978 -7.015 -1.999 1.00 0.00 H new ATOM 0 HE2 MET A 60 2.670 -7.192 -1.474 1.00 0.00 H new ATOM 0 HE3 MET A 60 1.687 -5.837 -0.869 1.00 0.00 H new ATOM 940 N ILE A 61 5.541 -1.234 -0.836 1.00 0.00 N ATOM 941 CA ILE A 61 5.600 0.201 -0.545 1.00 0.00 C ATOM 942 C ILE A 61 6.933 0.805 -0.997 1.00 0.00 C ATOM 943 O ILE A 61 6.976 1.606 -1.927 1.00 0.00 O ATOM 944 CB ILE A 61 5.420 0.432 0.959 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.979 0.099 1.348 1.00 0.00 C ATOM 946 CG2 ILE A 61 5.726 1.890 1.308 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.958 -0.527 2.740 1.00 0.00 C ATOM 0 H ILE A 61 5.273 -1.813 -0.040 1.00 0.00 H new ATOM 0 HA ILE A 61 4.796 0.691 -1.095 1.00 0.00 H new ATOM 0 HB ILE A 61 6.108 -0.211 1.508 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.370 1.003 1.335 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.545 -0.589 0.622 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.595 2.043 2.379 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.754 2.122 1.031 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.047 2.545 0.762 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.931 -0.764 3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.553 -1.440 2.737 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.375 0.176 3.461 1.00 0.00 H new ATOM 959 N ASP A 62 8.010 0.419 -0.311 1.00 0.00 N ATOM 960 CA ASP A 62 9.352 0.930 -0.624 1.00 0.00 C ATOM 961 C ASP A 62 9.684 0.805 -2.118 1.00 0.00 C ATOM 962 O ASP A 62 10.310 1.699 -2.694 1.00 0.00 O ATOM 963 CB ASP A 62 10.411 0.171 0.184 1.00 0.00 C ATOM 964 CG ASP A 62 11.680 1.013 0.284 1.00 0.00 C ATOM 965 OD1 ASP A 62 11.774 1.800 1.213 1.00 0.00 O ATOM 966 OD2 ASP A 62 12.539 0.860 -0.569 1.00 0.00 O ATOM 0 H ASP A 62 7.983 -0.244 0.464 1.00 0.00 H new ATOM 0 HA ASP A 62 9.359 1.987 -0.358 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.031 -0.052 1.181 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.632 -0.783 -0.294 1.00 0.00 H new ATOM 971 N GLU A 63 9.277 -0.311 -2.734 1.00 0.00 N ATOM 972 CA GLU A 63 9.559 -0.539 -4.158 1.00 0.00 C ATOM 973 C GLU A 63 8.810 0.459 -5.052 1.00 0.00 C ATOM 974 O GLU A 63 9.395 1.039 -5.969 1.00 0.00 O ATOM 975 CB GLU A 63 9.163 -1.961 -4.568 1.00 0.00 C ATOM 976 CG GLU A 63 10.273 -2.945 -4.178 1.00 0.00 C ATOM 977 CD GLU A 63 11.238 -3.130 -5.347 1.00 0.00 C ATOM 978 OE1 GLU A 63 10.984 -3.995 -6.170 1.00 0.00 O ATOM 979 OE2 GLU A 63 12.220 -2.406 -5.401 1.00 0.00 O ATOM 0 H GLU A 63 8.758 -1.061 -2.278 1.00 0.00 H new ATOM 0 HA GLU A 63 10.631 -0.399 -4.294 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.229 -2.242 -4.082 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.989 -2.004 -5.643 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.811 -2.573 -3.306 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.838 -3.905 -3.898 1.00 0.00 H new ATOM 986 N VAL A 64 7.510 0.638 -4.790 1.00 0.00 N ATOM 987 CA VAL A 64 6.688 1.556 -5.596 1.00 0.00 C ATOM 988 C VAL A 64 6.893 3.021 -5.194 1.00 0.00 C ATOM 989 O VAL A 64 6.535 3.926 -5.951 1.00 0.00 O ATOM 990 CB VAL A 64 5.195 1.219 -5.473 1.00 0.00 C ATOM 991 CG1 VAL A 64 4.971 -0.264 -5.782 1.00 0.00 C ATOM 992 CG2 VAL A 64 4.700 1.527 -4.054 1.00 0.00 C ATOM 0 H VAL A 64 7.007 0.168 -4.037 1.00 0.00 H new ATOM 0 HA VAL A 64 7.013 1.425 -6.628 1.00 0.00 H new ATOM 0 HB VAL A 64 4.637 1.827 -6.186 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.910 -0.498 -5.693 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.306 -0.479 -6.797 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.537 -0.872 -5.076 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.640 1.284 -3.978 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.261 0.930 -3.335 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.846 2.586 -3.839 1.00 0.00 H new ATOM 1002 N ASP A 65 7.456 3.254 -4.002 1.00 0.00 N ATOM 1003 CA ASP A 65 7.678 4.621 -3.533 1.00 0.00 C ATOM 1004 C ASP A 65 8.820 5.263 -4.326 1.00 0.00 C ATOM 1005 O ASP A 65 9.983 5.236 -3.912 1.00 0.00 O ATOM 1006 CB ASP A 65 8.011 4.638 -2.033 1.00 0.00 C ATOM 1007 CG ASP A 65 7.286 5.801 -1.350 1.00 0.00 C ATOM 1008 OD1 ASP A 65 7.257 6.882 -1.915 1.00 0.00 O ATOM 1009 OD2 ASP A 65 6.767 5.590 -0.266 1.00 0.00 O ATOM 0 H ASP A 65 7.761 2.525 -3.357 1.00 0.00 H new ATOM 0 HA ASP A 65 6.762 5.191 -3.688 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.714 3.694 -1.575 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.087 4.736 -1.892 1.00 0.00 H new ATOM 1014 N GLU A 66 8.469 5.828 -5.484 1.00 0.00 N ATOM 1015 CA GLU A 66 9.460 6.467 -6.357 1.00 0.00 C ATOM 1016 C GLU A 66 9.930 7.808 -5.787 1.00 0.00 C ATOM 1017 O GLU A 66 11.084 8.198 -5.974 1.00 0.00 O ATOM 1018 CB GLU A 66 8.875 6.702 -7.755 1.00 0.00 C ATOM 1019 CG GLU A 66 8.768 5.369 -8.504 1.00 0.00 C ATOM 1020 CD GLU A 66 10.009 5.164 -9.369 1.00 0.00 C ATOM 1021 OE1 GLU A 66 10.023 5.665 -10.481 1.00 0.00 O ATOM 1022 OE2 GLU A 66 10.928 4.507 -8.906 1.00 0.00 O ATOM 0 H GLU A 66 7.513 5.857 -5.838 1.00 0.00 H new ATOM 0 HA GLU A 66 10.313 5.792 -6.420 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.891 7.164 -7.675 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.507 7.393 -8.312 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.669 4.548 -7.793 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.873 5.361 -9.127 1.00 0.00 H new ATOM 1029 N ASP A 67 9.027 8.514 -5.099 1.00 0.00 N ATOM 1030 CA ASP A 67 9.374 9.819 -4.519 1.00 0.00 C ATOM 1031 C ASP A 67 9.973 9.663 -3.117 1.00 0.00 C ATOM 1032 O ASP A 67 10.903 10.386 -2.750 1.00 0.00 O ATOM 1033 CB ASP A 67 8.151 10.754 -4.449 1.00 0.00 C ATOM 1034 CG ASP A 67 6.886 9.979 -4.069 1.00 0.00 C ATOM 1035 OD1 ASP A 67 6.743 9.641 -2.908 1.00 0.00 O ATOM 1036 OD2 ASP A 67 6.073 9.743 -4.948 1.00 0.00 O ATOM 0 H ASP A 67 8.067 8.213 -4.931 1.00 0.00 H new ATOM 0 HA ASP A 67 10.119 10.265 -5.178 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.333 11.541 -3.717 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.007 11.242 -5.413 1.00 0.00 H new ATOM 1041 N GLY A 68 9.429 8.726 -2.335 1.00 0.00 N ATOM 1042 CA GLY A 68 9.912 8.498 -0.972 1.00 0.00 C ATOM 1043 C GLY A 68 9.458 9.627 -0.053 1.00 0.00 C ATOM 1044 O GLY A 68 10.234 10.130 0.764 1.00 0.00 O ATOM 0 H GLY A 68 8.661 8.118 -2.620 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.536 7.545 -0.601 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.000 8.434 -0.971 1.00 0.00 H new ATOM 1048 N SER A 69 8.193 10.024 -0.206 1.00 0.00 N ATOM 1049 CA SER A 69 7.630 11.105 0.602 1.00 0.00 C ATOM 1050 C SER A 69 6.937 10.549 1.847 1.00 0.00 C ATOM 1051 O SER A 69 7.202 10.988 2.968 1.00 0.00 O ATOM 1052 CB SER A 69 6.616 11.914 -0.217 1.00 0.00 C ATOM 1053 OG SER A 69 5.616 11.041 -0.739 1.00 0.00 O ATOM 0 H SER A 69 7.543 9.615 -0.878 1.00 0.00 H new ATOM 0 HA SER A 69 8.451 11.753 0.909 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.155 12.678 0.409 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.122 12.432 -1.032 1.00 0.00 H new ATOM 0 HG SER A 69 5.961 10.588 -1.537 1.00 0.00 H new ATOM 1059 N GLY A 70 6.041 9.585 1.630 1.00 0.00 N ATOM 1060 CA GLY A 70 5.297 8.971 2.732 1.00 0.00 C ATOM 1061 C GLY A 70 3.898 8.544 2.276 1.00 0.00 C ATOM 1062 O GLY A 70 3.296 7.641 2.860 1.00 0.00 O ATOM 0 H GLY A 70 5.813 9.214 0.708 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.842 8.104 3.106 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.215 9.677 3.558 1.00 0.00 H new ATOM 1066 N THR A 71 3.389 9.204 1.228 1.00 0.00 N ATOM 1067 CA THR A 71 2.064 8.886 0.698 1.00 0.00 C ATOM 1068 C THR A 71 2.189 8.134 -0.626 1.00 0.00 C ATOM 1069 O THR A 71 3.146 8.329 -1.380 1.00 0.00 O ATOM 1070 CB THR A 71 1.244 10.164 0.468 1.00 0.00 C ATOM 1071 OG1 THR A 71 1.870 10.967 -0.528 1.00 0.00 O ATOM 1072 CG2 THR A 71 1.135 10.953 1.776 1.00 0.00 C ATOM 0 H THR A 71 3.873 9.955 0.736 1.00 0.00 H new ATOM 0 HA THR A 71 1.555 8.261 1.431 1.00 0.00 H new ATOM 0 HB THR A 71 0.244 9.891 0.131 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.185 11.437 -1.047 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.552 11.859 1.607 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.642 10.340 2.531 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.133 11.223 2.122 1.00 0.00 H new ATOM 1080 N VAL A 72 1.205 7.276 -0.900 1.00 0.00 N ATOM 1081 CA VAL A 72 1.202 6.499 -2.136 1.00 0.00 C ATOM 1082 C VAL A 72 0.222 7.103 -3.136 1.00 0.00 C ATOM 1083 O VAL A 72 -0.988 7.129 -2.903 1.00 0.00 O ATOM 1084 CB VAL A 72 0.804 5.043 -1.871 1.00 0.00 C ATOM 1085 CG1 VAL A 72 0.987 4.223 -3.152 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.684 4.459 -0.763 1.00 0.00 C ATOM 0 H VAL A 72 0.408 7.104 -0.288 1.00 0.00 H new ATOM 0 HA VAL A 72 2.212 6.523 -2.544 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.240 5.007 -1.559 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.704 3.187 -2.964 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.357 4.634 -3.940 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.031 4.263 -3.464 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.397 3.424 -0.578 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.729 4.497 -1.070 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.553 5.040 0.150 1.00 0.00 H new ATOM 1096 N ASP A 73 0.760 7.571 -4.259 1.00 0.00 N ATOM 1097 CA ASP A 73 -0.069 8.159 -5.306 1.00 0.00 C ATOM 1098 C ASP A 73 -0.595 7.052 -6.216 1.00 0.00 C ATOM 1099 O ASP A 73 -0.288 5.876 -6.016 1.00 0.00 O ATOM 1100 CB ASP A 73 0.741 9.160 -6.137 1.00 0.00 C ATOM 1101 CG ASP A 73 1.152 10.340 -5.259 1.00 0.00 C ATOM 1102 OD1 ASP A 73 0.373 11.274 -5.152 1.00 0.00 O ATOM 1103 OD2 ASP A 73 2.238 10.290 -4.702 1.00 0.00 O ATOM 0 H ASP A 73 1.759 7.555 -4.466 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.902 8.685 -4.840 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.626 8.674 -6.549 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.148 9.511 -6.981 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.391 7.431 -7.213 1.00 0.00 N ATOM 1109 CA PHE A 74 -1.948 6.444 -8.137 1.00 0.00 C ATOM 1110 C PHE A 74 -0.850 5.820 -9.000 1.00 0.00 C ATOM 1111 O PHE A 74 -0.941 4.651 -9.380 1.00 0.00 O ATOM 1112 CB PHE A 74 -3.003 7.075 -9.044 1.00 0.00 C ATOM 1113 CG PHE A 74 -3.933 5.998 -9.540 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.555 5.135 -8.631 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -4.172 5.861 -10.910 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.419 4.135 -9.091 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -5.036 4.864 -11.373 1.00 0.00 C ATOM 1118 CZ PHE A 74 -5.661 4.000 -10.464 1.00 0.00 C ATOM 0 H PHE A 74 -1.662 8.396 -7.401 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.415 5.665 -7.535 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.563 7.834 -8.498 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.525 7.576 -9.886 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.368 5.241 -7.573 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.689 6.525 -11.611 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.898 3.469 -8.389 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.222 4.760 -12.432 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.329 3.230 -10.822 1.00 0.00 H new ATOM 1128 N ASP A 75 0.197 6.600 -9.288 1.00 0.00 N ATOM 1129 CA ASP A 75 1.317 6.100 -10.084 1.00 0.00 C ATOM 1130 C ASP A 75 2.045 5.003 -9.309 1.00 0.00 C ATOM 1131 O ASP A 75 2.461 3.994 -9.879 1.00 0.00 O ATOM 1132 CB ASP A 75 2.299 7.230 -10.406 1.00 0.00 C ATOM 1133 CG ASP A 75 1.919 7.875 -11.736 1.00 0.00 C ATOM 1134 OD1 ASP A 75 0.979 8.653 -11.748 1.00 0.00 O ATOM 1135 OD2 ASP A 75 2.573 7.582 -12.722 1.00 0.00 O ATOM 0 H ASP A 75 0.290 7.569 -8.985 1.00 0.00 H new ATOM 0 HA ASP A 75 0.926 5.698 -11.019 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.284 7.976 -9.611 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.315 6.839 -10.457 1.00 0.00 H new ATOM 1140 N GLU A 76 2.165 5.210 -7.993 1.00 0.00 N ATOM 1141 CA GLU A 76 2.816 4.232 -7.116 1.00 0.00 C ATOM 1142 C GLU A 76 1.830 3.106 -6.770 1.00 0.00 C ATOM 1143 O GLU A 76 2.234 1.994 -6.421 1.00 0.00 O ATOM 1144 CB GLU A 76 3.299 4.902 -5.820 1.00 0.00 C ATOM 1145 CG GLU A 76 3.945 6.254 -6.152 1.00 0.00 C ATOM 1146 CD GLU A 76 4.403 6.946 -4.867 1.00 0.00 C ATOM 1147 OE1 GLU A 76 3.581 7.576 -4.230 1.00 0.00 O ATOM 1148 OE2 GLU A 76 5.574 6.849 -4.545 1.00 0.00 O ATOM 0 H GLU A 76 1.821 6.042 -7.514 1.00 0.00 H new ATOM 0 HA GLU A 76 3.677 3.819 -7.641 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.461 5.045 -5.138 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.017 4.259 -5.312 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.795 6.106 -6.818 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.232 6.887 -6.681 1.00 0.00 H new ATOM 1155 N PHE A 77 0.531 3.414 -6.882 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.522 2.438 -6.595 1.00 0.00 C ATOM 1157 C PHE A 77 -0.664 1.431 -7.747 1.00 0.00 C ATOM 1158 O PHE A 77 -0.933 0.250 -7.519 1.00 0.00 O ATOM 1159 CB PHE A 77 -1.861 3.162 -6.388 1.00 0.00 C ATOM 1160 CG PHE A 77 -2.886 2.215 -5.810 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -2.753 1.748 -4.496 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -3.975 1.807 -6.590 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -3.706 0.873 -3.964 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -4.928 0.932 -6.057 1.00 0.00 C ATOM 1165 CZ PHE A 77 -4.794 0.465 -4.745 1.00 0.00 C ATOM 0 H PHE A 77 0.187 4.330 -7.169 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.248 1.898 -5.688 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.723 4.012 -5.719 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.218 3.559 -7.338 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.914 2.064 -3.893 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.079 2.168 -7.603 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.603 0.512 -2.951 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.768 0.617 -6.659 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.530 -0.210 -4.335 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.486 1.915 -8.983 1.00 0.00 N ATOM 1176 CA LEU A 78 -0.603 1.056 -10.168 1.00 0.00 C ATOM 1177 C LEU A 78 0.652 0.201 -10.370 1.00 0.00 C ATOM 1178 O LEU A 78 0.554 -0.988 -10.680 1.00 0.00 O ATOM 1179 CB LEU A 78 -0.826 1.904 -11.429 1.00 0.00 C ATOM 1180 CG LEU A 78 -2.209 2.561 -11.567 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -2.574 2.672 -13.048 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -3.268 1.718 -10.849 1.00 0.00 C ATOM 0 H LEU A 78 -0.262 2.889 -9.188 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.457 0.400 -10.003 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.070 2.689 -11.453 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.658 1.272 -12.301 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.176 3.553 -11.117 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.555 3.138 -13.147 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.830 3.280 -13.562 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.598 1.677 -13.492 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.243 2.193 -10.953 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.300 0.722 -11.290 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.014 1.639 -9.792 1.00 0.00 H new ATOM 1194 N VAL A 79 1.828 0.822 -10.203 1.00 0.00 N ATOM 1195 CA VAL A 79 3.107 0.108 -10.379 1.00 0.00 C ATOM 1196 C VAL A 79 3.188 -1.140 -9.494 1.00 0.00 C ATOM 1197 O VAL A 79 3.873 -2.103 -9.835 1.00 0.00 O ATOM 1198 CB VAL A 79 4.304 1.011 -10.056 1.00 0.00 C ATOM 1199 CG1 VAL A 79 4.432 2.105 -11.120 1.00 0.00 C ATOM 1200 CG2 VAL A 79 4.123 1.656 -8.679 1.00 0.00 C ATOM 0 H VAL A 79 1.924 1.805 -9.949 1.00 0.00 H new ATOM 0 HA VAL A 79 3.146 -0.190 -11.427 1.00 0.00 H new ATOM 0 HB VAL A 79 5.209 0.404 -10.049 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.284 2.743 -10.885 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.581 1.646 -12.097 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.522 2.705 -11.136 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.979 2.295 -8.461 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.213 2.255 -8.675 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.048 0.878 -7.920 1.00 0.00 H new ATOM 1210 N MET A 80 2.486 -1.110 -8.356 1.00 0.00 N ATOM 1211 CA MET A 80 2.476 -2.240 -7.415 1.00 0.00 C ATOM 1212 C MET A 80 2.232 -3.580 -8.128 1.00 0.00 C ATOM 1213 O MET A 80 2.721 -4.623 -7.689 1.00 0.00 O ATOM 1214 CB MET A 80 1.382 -2.039 -6.366 1.00 0.00 C ATOM 1215 CG MET A 80 2.012 -1.595 -5.046 1.00 0.00 C ATOM 1216 SD MET A 80 0.757 -1.614 -3.743 1.00 0.00 S ATOM 1217 CE MET A 80 0.060 0.024 -4.076 1.00 0.00 C ATOM 0 H MET A 80 1.917 -0.316 -8.062 1.00 0.00 H new ATOM 0 HA MET A 80 3.458 -2.272 -6.942 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.668 -1.291 -6.710 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.827 -2.966 -6.222 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.836 -2.259 -4.782 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.430 -0.594 -5.149 1.00 0.00 H new ATOM 0 HE1 MET A 80 -0.354 0.437 -3.156 1.00 0.00 H new ATOM 0 HE2 MET A 80 0.843 0.684 -4.449 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.729 -0.061 -4.823 1.00 0.00 H new ATOM 1227 N MET A 81 1.463 -3.542 -9.220 1.00 0.00 N ATOM 1228 CA MET A 81 1.153 -4.760 -9.976 1.00 0.00 C ATOM 1229 C MET A 81 2.334 -5.198 -10.852 1.00 0.00 C ATOM 1230 O MET A 81 2.717 -6.369 -10.848 1.00 0.00 O ATOM 1231 CB MET A 81 -0.069 -4.537 -10.874 1.00 0.00 C ATOM 1232 CG MET A 81 -1.337 -4.486 -10.017 1.00 0.00 C ATOM 1233 SD MET A 81 -1.902 -6.170 -9.666 1.00 0.00 S ATOM 1234 CE MET A 81 -1.557 -6.166 -7.889 1.00 0.00 C ATOM 0 H MET A 81 1.047 -2.691 -9.598 1.00 0.00 H new ATOM 0 HA MET A 81 0.944 -5.544 -9.248 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.042 -3.607 -11.432 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.146 -5.341 -11.606 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.137 -3.957 -9.085 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.118 -3.931 -10.537 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.228 -6.863 -7.387 1.00 0.00 H new ATOM 0 HE2 MET A 81 -0.524 -6.470 -7.718 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.711 -5.163 -7.491 1.00 0.00 H new ATOM 1244 N VAL A 82 2.889 -4.252 -11.620 1.00 0.00 N ATOM 1245 CA VAL A 82 4.011 -4.559 -12.522 1.00 0.00 C ATOM 1246 C VAL A 82 5.320 -4.808 -11.759 1.00 0.00 C ATOM 1247 O VAL A 82 6.134 -5.630 -12.178 1.00 0.00 O ATOM 1248 CB VAL A 82 4.233 -3.426 -13.538 1.00 0.00 C ATOM 1249 CG1 VAL A 82 3.018 -3.317 -14.463 1.00 0.00 C ATOM 1250 CG2 VAL A 82 4.439 -2.094 -12.809 1.00 0.00 C ATOM 0 H VAL A 82 2.586 -3.278 -11.637 1.00 0.00 H new ATOM 0 HA VAL A 82 3.737 -5.474 -13.047 1.00 0.00 H new ATOM 0 HB VAL A 82 5.122 -3.651 -14.127 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.179 -2.513 -15.182 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.881 -4.258 -14.996 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.128 -3.102 -13.871 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.595 -1.300 -13.539 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.557 -1.867 -12.209 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.311 -2.166 -12.159 1.00 0.00 H new ATOM 1260 N ARG A 83 5.523 -4.089 -10.644 1.00 0.00 N ATOM 1261 CA ARG A 83 6.752 -4.246 -9.847 1.00 0.00 C ATOM 1262 C ARG A 83 6.975 -5.706 -9.424 1.00 0.00 C ATOM 1263 O ARG A 83 8.108 -6.112 -9.160 1.00 0.00 O ATOM 1264 CB ARG A 83 6.712 -3.356 -8.597 1.00 0.00 C ATOM 1265 CG ARG A 83 5.629 -3.844 -7.628 1.00 0.00 C ATOM 1266 CD ARG A 83 6.024 -3.492 -6.193 1.00 0.00 C ATOM 1267 NE ARG A 83 7.113 -4.354 -5.722 1.00 0.00 N ATOM 1268 CZ ARG A 83 6.894 -5.605 -5.290 1.00 0.00 C ATOM 1269 NH1 ARG A 83 5.689 -6.124 -5.312 1.00 0.00 N ATOM 1270 NH2 ARG A 83 7.899 -6.319 -4.851 1.00 0.00 N ATOM 0 H ARG A 83 4.864 -3.403 -10.277 1.00 0.00 H new ATOM 0 HA ARG A 83 7.582 -3.940 -10.484 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.683 -3.368 -8.103 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.514 -2.323 -8.884 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.672 -3.384 -7.875 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.499 -4.922 -7.726 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.334 -2.448 -6.143 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.160 -3.600 -5.537 1.00 0.00 H new ATOM 0 HE ARG A 83 8.066 -3.991 -5.723 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.903 -5.575 -5.661 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.538 -7.077 -4.980 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.839 -5.923 -4.839 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.742 -7.271 -4.520 1.00 0.00 H new ATOM 1284 N CYS A 84 5.887 -6.487 -9.362 1.00 0.00 N ATOM 1285 CA CYS A 84 5.983 -7.898 -8.976 1.00 0.00 C ATOM 1286 C CYS A 84 6.900 -8.664 -9.935 1.00 0.00 C ATOM 1287 O CYS A 84 7.655 -9.544 -9.513 1.00 0.00 O ATOM 1288 CB CYS A 84 4.597 -8.551 -8.980 1.00 0.00 C ATOM 1289 SG CYS A 84 3.677 -8.024 -7.513 1.00 0.00 S ATOM 0 H CYS A 84 4.941 -6.168 -9.572 1.00 0.00 H new ATOM 0 HA CYS A 84 6.402 -7.939 -7.971 1.00 0.00 H new ATOM 0 HB2 CYS A 84 4.054 -8.271 -9.883 1.00 0.00 H new ATOM 0 HB3 CYS A 84 4.695 -9.637 -8.990 1.00 0.00 H new ATOM 0 HG CYS A 84 3.336 -6.776 -7.640 1.00 0.00 H new