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 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= -0.0258 X(o=-0.026,f=-0.026) USER MOD Single : A 13 THR OG1 : rot -179:sc= -0.308 USER MOD Single : A 16 GLN : amide:sc= -0.764 K(o=-0.76,f=-4.2) USER MOD Single : A 17 LYS NZ :NH3+ -173:sc= -0.356 (180deg=-0.464) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.656 X(o=-0.66,f=-0.2) USER MOD Single : A 35 CYS SG : rot 64:sc= -0.32 USER MOD Single : A 37 SER OG : rot 160:sc= -0.0484 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 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 153:sc= -2.76! (180deg=-5.22!) USER MOD Single : A 47 MET CE :methyl -173:sc= 0 (180deg=-0.0675) USER MOD Single : A 50 GLN : amide:sc= -0.0623 X(o=-0.062,f=-0.45) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.928 USER MOD Single : A 58 GLN : amide:sc= -1.15 K(o=-1.1,f=-0.56) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0.00308 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 171:sc= -2.44! (180deg=-2.74!) USER MOD Single : A 81 MET CE :methyl 153:sc= -5.52! (180deg=-9.05!) USER MOD Single : A 84 CYS SG : rot 65:sc= 0.00107 USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 8.964 -3.343 -17.989 1.00 0.00 N ATOM 47 CA ILE A 4 8.135 -4.510 -17.660 1.00 0.00 C ATOM 48 C ILE A 4 6.697 -4.077 -17.354 1.00 0.00 C ATOM 49 O ILE A 4 5.756 -4.851 -17.543 1.00 0.00 O ATOM 50 CB ILE A 4 8.709 -5.315 -16.475 1.00 0.00 C ATOM 51 CG1 ILE A 4 8.495 -4.566 -15.144 1.00 0.00 C ATOM 52 CG2 ILE A 4 10.204 -5.582 -16.695 1.00 0.00 C ATOM 53 CD1 ILE A 4 9.477 -3.397 -15.006 1.00 0.00 C ATOM 0 HA ILE A 4 8.137 -5.162 -18.533 1.00 0.00 H new ATOM 0 HB ILE A 4 8.180 -6.266 -16.420 1.00 0.00 H new ATOM 0 HG12 ILE A 4 7.472 -4.194 -15.093 1.00 0.00 H new ATOM 0 HG13 ILE A 4 8.626 -5.255 -14.310 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.600 -6.151 -15.853 1.00 0.00 H new ATOM 0 HG22 ILE A 4 10.340 -6.152 -17.614 1.00 0.00 H new ATOM 0 HG23 ILE A 4 10.735 -4.633 -16.774 1.00 0.00 H new ATOM 0 HD11 ILE A 4 9.304 -2.886 -14.059 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.499 -3.775 -15.033 1.00 0.00 H new ATOM 0 HD13 ILE A 4 9.327 -2.697 -15.828 1.00 0.00 H new ATOM 65 N TYR A 5 6.533 -2.824 -16.904 1.00 0.00 N ATOM 66 CA TYR A 5 5.201 -2.292 -16.603 1.00 0.00 C ATOM 67 C TYR A 5 4.428 -2.080 -17.905 1.00 0.00 C ATOM 68 O TYR A 5 3.204 -2.215 -17.947 1.00 0.00 O ATOM 69 CB TYR A 5 5.288 -0.947 -15.859 1.00 0.00 C ATOM 70 CG TYR A 5 6.267 -1.025 -14.702 1.00 0.00 C ATOM 71 CD1 TYR A 5 6.545 -2.251 -14.084 1.00 0.00 C ATOM 72 CD2 TYR A 5 6.897 0.139 -14.251 1.00 0.00 C ATOM 73 CE1 TYR A 5 7.451 -2.311 -13.023 1.00 0.00 C ATOM 74 CE2 TYR A 5 7.802 0.079 -13.188 1.00 0.00 C ATOM 75 CZ TYR A 5 8.080 -1.147 -12.573 1.00 0.00 C ATOM 76 OH TYR A 5 8.976 -1.207 -11.524 1.00 0.00 O ATOM 0 H TYR A 5 7.298 -2.169 -16.743 1.00 0.00 H new ATOM 0 HA TYR A 5 4.690 -3.014 -15.965 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.600 -0.165 -16.551 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.302 -0.669 -15.487 1.00 0.00 H new ATOM 0 HD1 TYR A 5 6.058 -3.151 -14.429 1.00 0.00 H new ATOM 0 HD2 TYR A 5 6.684 1.086 -14.725 1.00 0.00 H new ATOM 0 HE1 TYR A 5 7.666 -3.258 -12.550 1.00 0.00 H new ATOM 0 HE2 TYR A 5 8.287 0.979 -12.841 1.00 0.00 H new ATOM 0 HH TYR A 5 9.323 -0.309 -11.338 1.00 0.00 H new ATOM 86 N LYS A 6 5.171 -1.756 -18.971 1.00 0.00 N ATOM 87 CA LYS A 6 4.568 -1.534 -20.290 1.00 0.00 C ATOM 88 C LYS A 6 4.190 -2.872 -20.919 1.00 0.00 C ATOM 89 O LYS A 6 3.164 -2.991 -21.590 1.00 0.00 O ATOM 90 CB LYS A 6 5.541 -0.798 -21.226 1.00 0.00 C ATOM 91 CG LYS A 6 6.251 0.340 -20.478 1.00 0.00 C ATOM 92 CD LYS A 6 5.231 1.156 -19.679 1.00 0.00 C ATOM 93 CE LYS A 6 5.965 2.122 -18.745 1.00 0.00 C ATOM 94 NZ LYS A 6 5.175 3.380 -18.601 1.00 0.00 N ATOM 0 H LYS A 6 6.184 -1.642 -18.946 1.00 0.00 H new ATOM 0 HA LYS A 6 3.678 -0.920 -20.154 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.278 -1.499 -21.618 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.998 -0.396 -22.081 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.007 -0.070 -19.808 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.770 0.985 -21.187 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.583 1.711 -20.357 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.591 0.490 -19.100 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.111 1.659 -17.769 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.955 2.346 -19.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.676 4.034 -17.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.058 3.825 -19.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.240 3.159 -18.203 1.00 0.00 H new ATOM 108 N ALA A 7 5.027 -3.880 -20.677 1.00 0.00 N ATOM 109 CA ALA A 7 4.774 -5.223 -21.201 1.00 0.00 C ATOM 110 C ALA A 7 3.557 -5.842 -20.506 1.00 0.00 C ATOM 111 O ALA A 7 2.810 -6.614 -21.108 1.00 0.00 O ATOM 112 CB ALA A 7 5.992 -6.123 -20.980 1.00 0.00 C ATOM 0 H ALA A 7 5.881 -3.794 -20.125 1.00 0.00 H new ATOM 0 HA ALA A 7 4.579 -5.140 -22.270 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.786 -7.118 -21.376 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.855 -5.700 -21.494 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.203 -6.194 -19.913 1.00 0.00 H new ATOM 118 N ALA A 8 3.369 -5.487 -19.227 1.00 0.00 N ATOM 119 CA ALA A 8 2.243 -6.002 -18.446 1.00 0.00 C ATOM 120 C ALA A 8 0.951 -5.232 -18.745 1.00 0.00 C ATOM 121 O ALA A 8 -0.145 -5.771 -18.579 1.00 0.00 O ATOM 122 CB ALA A 8 2.543 -5.902 -16.947 1.00 0.00 C ATOM 0 H ALA A 8 3.980 -4.849 -18.717 1.00 0.00 H new ATOM 0 HA ALA A 8 2.104 -7.045 -18.730 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.696 -6.289 -16.380 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.433 -6.487 -16.714 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.713 -4.859 -16.679 1.00 0.00 H new ATOM 128 N VAL A 9 1.083 -3.968 -19.181 1.00 0.00 N ATOM 129 CA VAL A 9 -0.094 -3.145 -19.491 1.00 0.00 C ATOM 130 C VAL A 9 -0.913 -3.741 -20.650 1.00 0.00 C ATOM 131 O VAL A 9 -2.101 -3.452 -20.790 1.00 0.00 O ATOM 132 CB VAL A 9 0.322 -1.701 -19.830 1.00 0.00 C ATOM 133 CG1 VAL A 9 0.694 -1.575 -21.314 1.00 0.00 C ATOM 134 CG2 VAL A 9 -0.842 -0.754 -19.521 1.00 0.00 C ATOM 0 H VAL A 9 1.979 -3.501 -19.324 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.723 -3.133 -18.601 1.00 0.00 H new ATOM 0 HB VAL A 9 1.192 -1.439 -19.228 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.984 -0.547 -21.530 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.526 -2.242 -21.538 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.164 -1.847 -21.929 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.552 0.269 -19.760 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.708 -1.035 -20.120 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.095 -0.822 -18.463 1.00 0.00 H new ATOM 144 N GLU A 10 -0.271 -4.575 -21.475 1.00 0.00 N ATOM 145 CA GLU A 10 -0.963 -5.202 -22.606 1.00 0.00 C ATOM 146 C GLU A 10 -1.697 -6.480 -22.172 1.00 0.00 C ATOM 147 O GLU A 10 -2.519 -7.013 -22.921 1.00 0.00 O ATOM 148 CB GLU A 10 0.037 -5.557 -23.712 1.00 0.00 C ATOM 149 CG GLU A 10 0.406 -4.295 -24.498 1.00 0.00 C ATOM 150 CD GLU A 10 -0.664 -4.012 -25.549 1.00 0.00 C ATOM 151 OE1 GLU A 10 -0.594 -4.603 -26.614 1.00 0.00 O ATOM 152 OE2 GLU A 10 -1.540 -3.207 -25.273 1.00 0.00 O ATOM 0 H GLU A 10 0.713 -4.829 -21.383 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.693 -4.484 -22.981 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.932 -6.001 -23.277 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.395 -6.301 -24.381 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.497 -3.446 -23.820 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.376 -4.425 -24.978 1.00 0.00 H new ATOM 159 N GLN A 11 -1.387 -6.973 -20.965 1.00 0.00 N ATOM 160 CA GLN A 11 -2.013 -8.195 -20.455 1.00 0.00 C ATOM 161 C GLN A 11 -3.161 -7.887 -19.491 1.00 0.00 C ATOM 162 O GLN A 11 -4.125 -8.650 -19.402 1.00 0.00 O ATOM 163 CB GLN A 11 -0.978 -9.058 -19.724 1.00 0.00 C ATOM 164 CG GLN A 11 0.227 -9.313 -20.635 1.00 0.00 C ATOM 165 CD GLN A 11 -0.163 -10.288 -21.743 1.00 0.00 C ATOM 166 OE1 GLN A 11 -0.210 -11.499 -21.524 1.00 0.00 O ATOM 167 NE2 GLN A 11 -0.450 -9.828 -22.931 1.00 0.00 N ATOM 0 H GLN A 11 -0.712 -6.547 -20.330 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.413 -8.731 -21.316 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.655 -8.558 -18.811 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.427 -10.006 -19.427 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.573 -8.374 -21.068 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.055 -9.720 -20.054 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.411 -8.825 -23.113 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -0.713 -10.472 -23.677 1.00 0.00 H new ATOM 176 N LEU A 12 -3.048 -6.771 -18.762 1.00 0.00 N ATOM 177 CA LEU A 12 -4.087 -6.390 -17.801 1.00 0.00 C ATOM 178 C LEU A 12 -5.339 -5.878 -18.518 1.00 0.00 C ATOM 179 O LEU A 12 -5.386 -5.808 -19.748 1.00 0.00 O ATOM 180 CB LEU A 12 -3.573 -5.312 -16.831 1.00 0.00 C ATOM 181 CG LEU A 12 -2.835 -4.124 -17.466 1.00 0.00 C ATOM 182 CD1 LEU A 12 -3.736 -3.435 -18.491 1.00 0.00 C ATOM 183 CD2 LEU A 12 -2.456 -3.123 -16.373 1.00 0.00 C ATOM 0 H LEU A 12 -2.260 -6.125 -18.818 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.346 -7.283 -17.232 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.422 -4.926 -16.267 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.904 -5.787 -16.114 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.937 -4.486 -17.966 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.204 -2.594 -18.936 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.009 -4.145 -19.271 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.638 -3.074 -17.998 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.932 -2.278 -16.819 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.359 -2.768 -15.876 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.807 -3.609 -15.644 1.00 0.00 H new ATOM 195 N THR A 13 -6.356 -5.523 -17.727 1.00 0.00 N ATOM 196 CA THR A 13 -7.614 -5.020 -18.282 1.00 0.00 C ATOM 197 C THR A 13 -7.975 -3.671 -17.661 1.00 0.00 C ATOM 198 O THR A 13 -7.366 -3.237 -16.681 1.00 0.00 O ATOM 199 CB THR A 13 -8.756 -6.011 -18.018 1.00 0.00 C ATOM 200 OG1 THR A 13 -8.477 -6.765 -16.844 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.900 -6.957 -19.211 1.00 0.00 C ATOM 0 H THR A 13 -6.333 -5.574 -16.709 1.00 0.00 H new ATOM 0 HA THR A 13 -7.478 -4.900 -19.357 1.00 0.00 H new ATOM 0 HB THR A 13 -9.685 -5.459 -17.878 1.00 0.00 H new ATOM 0 HG1 THR A 13 -9.201 -7.406 -16.687 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.711 -7.660 -19.022 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.122 -6.380 -20.108 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.970 -7.507 -19.354 1.00 0.00 H new ATOM 209 N ASP A 14 -8.988 -3.019 -18.238 1.00 0.00 N ATOM 210 CA ASP A 14 -9.444 -1.726 -17.730 1.00 0.00 C ATOM 211 C ASP A 14 -10.116 -1.898 -16.367 1.00 0.00 C ATOM 212 O ASP A 14 -10.071 -1.001 -15.524 1.00 0.00 O ATOM 213 CB ASP A 14 -10.444 -1.088 -18.699 1.00 0.00 C ATOM 214 CG ASP A 14 -10.621 0.390 -18.359 1.00 0.00 C ATOM 215 OD1 ASP A 14 -9.694 1.149 -18.597 1.00 0.00 O ATOM 216 OD2 ASP A 14 -11.679 0.741 -17.864 1.00 0.00 O ATOM 0 H ASP A 14 -9.502 -3.362 -19.049 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.573 -1.078 -17.631 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.090 -1.195 -19.724 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.403 -1.602 -18.638 1.00 0.00 H new ATOM 221 N GLU A 15 -10.735 -3.068 -16.166 1.00 0.00 N ATOM 222 CA GLU A 15 -11.415 -3.369 -14.905 1.00 0.00 C ATOM 223 C GLU A 15 -10.442 -3.297 -13.726 1.00 0.00 C ATOM 224 O GLU A 15 -10.789 -2.792 -12.658 1.00 0.00 O ATOM 225 CB GLU A 15 -12.052 -4.763 -14.964 1.00 0.00 C ATOM 226 CG GLU A 15 -10.972 -5.849 -15.004 1.00 0.00 C ATOM 227 CD GLU A 15 -11.590 -7.167 -15.463 1.00 0.00 C ATOM 228 OE1 GLU A 15 -12.100 -7.885 -14.619 1.00 0.00 O ATOM 229 OE2 GLU A 15 -11.542 -7.438 -16.651 1.00 0.00 O ATOM 0 H GLU A 15 -10.778 -3.816 -16.858 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.195 -2.622 -14.758 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.693 -4.913 -14.096 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.687 -4.841 -15.847 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.171 -5.555 -15.682 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.526 -5.969 -14.017 1.00 0.00 H new ATOM 236 N GLN A 16 -9.220 -3.803 -13.934 1.00 0.00 N ATOM 237 CA GLN A 16 -8.202 -3.781 -12.877 1.00 0.00 C ATOM 238 C GLN A 16 -7.908 -2.338 -12.446 1.00 0.00 C ATOM 239 O GLN A 16 -7.666 -2.072 -11.268 1.00 0.00 O ATOM 240 CB GLN A 16 -6.907 -4.487 -13.337 1.00 0.00 C ATOM 241 CG GLN A 16 -5.969 -3.520 -14.076 1.00 0.00 C ATOM 242 CD GLN A 16 -4.951 -2.934 -13.096 1.00 0.00 C ATOM 243 OE1 GLN A 16 -4.967 -1.736 -12.819 1.00 0.00 O ATOM 244 NE2 GLN A 16 -4.058 -3.714 -12.551 1.00 0.00 N ATOM 0 H GLN A 16 -8.915 -4.226 -14.811 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.594 -4.327 -12.019 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.392 -4.904 -12.472 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.159 -5.322 -13.991 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.453 -4.044 -14.881 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.547 -2.719 -14.536 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.042 -4.708 -12.779 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.376 -3.330 -11.897 1.00 0.00 H new ATOM 253 N LYS A 17 -7.957 -1.409 -13.411 1.00 0.00 N ATOM 254 CA LYS A 17 -7.722 0.005 -13.117 1.00 0.00 C ATOM 255 C LYS A 17 -8.970 0.622 -12.486 1.00 0.00 C ATOM 256 O LYS A 17 -8.874 1.537 -11.671 1.00 0.00 O ATOM 257 CB LYS A 17 -7.362 0.777 -14.389 1.00 0.00 C ATOM 258 CG LYS A 17 -5.838 0.905 -14.496 1.00 0.00 C ATOM 259 CD LYS A 17 -5.313 -0.066 -15.558 1.00 0.00 C ATOM 260 CE LYS A 17 -5.234 0.644 -16.914 1.00 0.00 C ATOM 261 NZ LYS A 17 -6.454 0.331 -17.716 1.00 0.00 N ATOM 0 H LYS A 17 -8.155 -1.611 -14.391 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.887 0.071 -12.420 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.756 0.261 -15.264 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.820 1.766 -14.369 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.567 1.928 -14.758 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.376 0.690 -13.532 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.328 -0.435 -15.272 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.970 -0.933 -15.628 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.149 1.721 -16.767 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.341 0.324 -17.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.346 0.714 -18.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.581 -0.700 -17.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.286 0.760 -17.264 1.00 0.00 H new ATOM 275 N ASN A 18 -10.144 0.096 -12.864 1.00 0.00 N ATOM 276 CA ASN A 18 -11.412 0.582 -12.314 1.00 0.00 C ATOM 277 C ASN A 18 -11.466 0.296 -10.812 1.00 0.00 C ATOM 278 O ASN A 18 -11.879 1.144 -10.021 1.00 0.00 O ATOM 279 CB ASN A 18 -12.597 -0.105 -13.003 1.00 0.00 C ATOM 280 CG ASN A 18 -13.274 0.873 -13.960 1.00 0.00 C ATOM 281 OD1 ASN A 18 -14.444 1.213 -13.783 1.00 0.00 O ATOM 282 ND2 ASN A 18 -12.603 1.349 -14.975 1.00 0.00 N ATOM 0 H ASN A 18 -10.239 -0.659 -13.543 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.476 1.656 -12.488 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.253 -0.984 -13.549 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -13.312 -0.453 -12.257 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -13.049 2.002 -15.620 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -11.634 1.068 -15.122 1.00 0.00 H new ATOM 289 N GLU A 19 -11.019 -0.910 -10.433 1.00 0.00 N ATOM 290 CA GLU A 19 -10.992 -1.307 -9.021 1.00 0.00 C ATOM 291 C GLU A 19 -9.907 -0.524 -8.286 1.00 0.00 C ATOM 292 O GLU A 19 -10.116 -0.050 -7.169 1.00 0.00 O ATOM 293 CB GLU A 19 -10.700 -2.804 -8.878 1.00 0.00 C ATOM 294 CG GLU A 19 -11.764 -3.611 -9.624 1.00 0.00 C ATOM 295 CD GLU A 19 -11.819 -5.028 -9.062 1.00 0.00 C ATOM 296 OE1 GLU A 19 -11.089 -5.871 -9.559 1.00 0.00 O ATOM 297 OE2 GLU A 19 -12.592 -5.251 -8.144 1.00 0.00 O ATOM 0 H GLU A 19 -10.675 -1.620 -11.079 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.970 -1.092 -8.591 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.711 -3.031 -9.277 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.690 -3.083 -7.824 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.737 -3.131 -9.522 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.533 -3.640 -10.689 1.00 0.00 H new ATOM 304 N PHE A 20 -8.747 -0.391 -8.939 1.00 0.00 N ATOM 305 CA PHE A 20 -7.619 0.345 -8.361 1.00 0.00 C ATOM 306 C PHE A 20 -7.987 1.815 -8.154 1.00 0.00 C ATOM 307 O PHE A 20 -7.667 2.406 -7.122 1.00 0.00 O ATOM 308 CB PHE A 20 -6.395 0.261 -9.285 1.00 0.00 C ATOM 309 CG PHE A 20 -5.605 -1.002 -9.007 1.00 0.00 C ATOM 310 CD1 PHE A 20 -6.215 -2.108 -8.396 1.00 0.00 C ATOM 311 CD2 PHE A 20 -4.255 -1.063 -9.366 1.00 0.00 C ATOM 312 CE1 PHE A 20 -5.472 -3.268 -8.148 1.00 0.00 C ATOM 313 CE2 PHE A 20 -3.513 -2.221 -9.118 1.00 0.00 C ATOM 314 CZ PHE A 20 -4.122 -3.325 -8.509 1.00 0.00 C ATOM 0 H PHE A 20 -8.566 -0.782 -9.864 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.380 -0.107 -7.398 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.717 0.274 -10.326 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.760 1.134 -9.137 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.257 -2.064 -8.117 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.784 -0.212 -9.836 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.941 -4.119 -7.678 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.470 -2.264 -9.396 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.549 -4.221 -8.318 1.00 0.00 H new ATOM 324 N LYS A 21 -8.671 2.392 -9.149 1.00 0.00 N ATOM 325 CA LYS A 21 -9.096 3.792 -9.076 1.00 0.00 C ATOM 326 C LYS A 21 -10.126 3.980 -7.963 1.00 0.00 C ATOM 327 O LYS A 21 -10.071 4.957 -7.218 1.00 0.00 O ATOM 328 CB LYS A 21 -9.705 4.243 -10.411 1.00 0.00 C ATOM 329 CG LYS A 21 -10.001 5.747 -10.373 1.00 0.00 C ATOM 330 CD LYS A 21 -8.702 6.528 -10.142 1.00 0.00 C ATOM 331 CE LYS A 21 -8.896 7.987 -10.566 1.00 0.00 C ATOM 332 NZ LYS A 21 -9.731 8.700 -9.556 1.00 0.00 N ATOM 0 H LYS A 21 -8.940 1.913 -10.009 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.217 4.399 -8.861 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.018 4.020 -11.227 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.623 3.689 -10.607 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.462 6.060 -11.310 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.714 5.966 -9.578 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.419 6.479 -9.091 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.889 6.078 -10.712 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.928 8.479 -10.664 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.376 8.030 -11.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.860 9.690 -9.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.659 8.237 -9.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.257 8.671 -8.631 1.00 0.00 H new ATOM 346 N ALA A 22 -11.055 3.025 -7.849 1.00 0.00 N ATOM 347 CA ALA A 22 -12.082 3.090 -6.808 1.00 0.00 C ATOM 348 C ALA A 22 -11.439 2.917 -5.432 1.00 0.00 C ATOM 349 O ALA A 22 -11.741 3.659 -4.498 1.00 0.00 O ATOM 350 CB ALA A 22 -13.134 1.998 -7.014 1.00 0.00 C ATOM 0 H ALA A 22 -11.116 2.208 -8.457 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.568 4.064 -6.869 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.887 2.065 -6.229 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.610 2.130 -7.986 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.655 1.020 -6.974 1.00 0.00 H new ATOM 356 N ALA A 23 -10.530 1.939 -5.331 1.00 0.00 N ATOM 357 CA ALA A 23 -9.819 1.676 -4.075 1.00 0.00 C ATOM 358 C ALA A 23 -8.953 2.879 -3.682 1.00 0.00 C ATOM 359 O ALA A 23 -8.646 3.078 -2.506 1.00 0.00 O ATOM 360 CB ALA A 23 -8.923 0.441 -4.216 1.00 0.00 C ATOM 0 H ALA A 23 -10.271 1.320 -6.100 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.564 1.499 -3.299 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.403 0.260 -3.276 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.535 -0.426 -4.465 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.193 0.610 -5.008 1.00 0.00 H new ATOM 366 N PHE A 24 -8.569 3.680 -4.682 1.00 0.00 N ATOM 367 CA PHE A 24 -7.750 4.865 -4.443 1.00 0.00 C ATOM 368 C PHE A 24 -8.641 6.054 -4.075 1.00 0.00 C ATOM 369 O PHE A 24 -8.452 6.686 -3.038 1.00 0.00 O ATOM 370 CB PHE A 24 -6.943 5.210 -5.706 1.00 0.00 C ATOM 371 CG PHE A 24 -5.705 6.002 -5.346 1.00 0.00 C ATOM 372 CD1 PHE A 24 -4.516 5.336 -5.022 1.00 0.00 C ATOM 373 CD2 PHE A 24 -5.742 7.402 -5.349 1.00 0.00 C ATOM 374 CE1 PHE A 24 -3.367 6.069 -4.701 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.594 8.134 -5.025 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.407 7.468 -4.701 1.00 0.00 C ATOM 0 H PHE A 24 -8.813 3.527 -5.660 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.067 4.655 -3.620 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.658 4.294 -6.224 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.562 5.785 -6.394 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.486 4.256 -5.020 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.657 7.917 -5.602 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.450 5.555 -4.453 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.624 9.214 -5.025 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.522 8.033 -4.451 1.00 0.00 H new ATOM 386 N ASP A 25 -9.611 6.347 -4.951 1.00 0.00 N ATOM 387 CA ASP A 25 -10.536 7.471 -4.749 1.00 0.00 C ATOM 388 C ASP A 25 -11.230 7.428 -3.383 1.00 0.00 C ATOM 389 O ASP A 25 -11.421 8.470 -2.755 1.00 0.00 O ATOM 390 CB ASP A 25 -11.607 7.483 -5.846 1.00 0.00 C ATOM 391 CG ASP A 25 -12.257 8.861 -5.915 1.00 0.00 C ATOM 392 OD1 ASP A 25 -11.679 9.738 -6.537 1.00 0.00 O ATOM 393 OD2 ASP A 25 -13.325 9.021 -5.346 1.00 0.00 O ATOM 0 H ASP A 25 -9.776 5.820 -5.809 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.933 8.378 -4.793 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.159 7.233 -6.808 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.362 6.724 -5.639 1.00 0.00 H new ATOM 398 N ILE A 26 -11.614 6.227 -2.928 1.00 0.00 N ATOM 399 CA ILE A 26 -12.291 6.097 -1.628 1.00 0.00 C ATOM 400 C ILE A 26 -11.444 6.724 -0.515 1.00 0.00 C ATOM 401 O ILE A 26 -11.974 7.358 0.399 1.00 0.00 O ATOM 402 CB ILE A 26 -12.574 4.627 -1.286 1.00 0.00 C ATOM 403 CG1 ILE A 26 -11.280 3.807 -1.384 1.00 0.00 C ATOM 404 CG2 ILE A 26 -13.618 4.071 -2.261 1.00 0.00 C ATOM 405 CD1 ILE A 26 -11.564 2.343 -1.043 1.00 0.00 C ATOM 0 H ILE A 26 -11.472 5.349 -3.427 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.242 6.625 -1.703 1.00 0.00 H new ATOM 0 HB ILE A 26 -12.956 4.560 -0.267 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.867 3.882 -2.390 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.531 4.210 -0.702 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -13.821 3.027 -2.021 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.539 4.648 -2.177 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.238 4.141 -3.280 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.641 1.767 -1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -11.956 2.275 -0.028 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.297 1.942 -1.743 1.00 0.00 H new ATOM 417 N PHE A 27 -10.122 6.551 -0.617 1.00 0.00 N ATOM 418 CA PHE A 27 -9.204 7.116 0.372 1.00 0.00 C ATOM 419 C PHE A 27 -8.883 8.577 0.038 1.00 0.00 C ATOM 420 O PHE A 27 -8.621 9.383 0.934 1.00 0.00 O ATOM 421 CB PHE A 27 -7.899 6.313 0.414 1.00 0.00 C ATOM 422 CG PHE A 27 -8.085 5.087 1.280 1.00 0.00 C ATOM 423 CD1 PHE A 27 -8.016 5.196 2.675 1.00 0.00 C ATOM 424 CD2 PHE A 27 -8.329 3.842 0.687 1.00 0.00 C ATOM 425 CE1 PHE A 27 -8.190 4.060 3.475 1.00 0.00 C ATOM 426 CE2 PHE A 27 -8.501 2.707 1.487 1.00 0.00 C ATOM 427 CZ PHE A 27 -8.432 2.815 2.880 1.00 0.00 C ATOM 0 H PHE A 27 -9.669 6.029 -1.367 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.691 7.068 1.346 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.609 6.018 -0.594 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.093 6.931 0.809 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.829 6.156 3.133 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.384 3.758 -0.388 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -8.138 4.144 4.550 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.687 1.747 1.029 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.565 1.939 3.497 1.00 0.00 H new ATOM 437 N ILE A 28 -8.908 8.912 -1.262 1.00 0.00 N ATOM 438 CA ILE A 28 -8.619 10.284 -1.703 1.00 0.00 C ATOM 439 C ILE A 28 -9.914 11.098 -1.841 1.00 0.00 C ATOM 440 O ILE A 28 -10.035 11.956 -2.721 1.00 0.00 O ATOM 441 CB ILE A 28 -7.876 10.283 -3.054 1.00 0.00 C ATOM 442 CG1 ILE A 28 -6.774 9.218 -3.069 1.00 0.00 C ATOM 443 CG2 ILE A 28 -7.232 11.649 -3.300 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.063 9.157 -1.714 1.00 0.00 C ATOM 0 H ILE A 28 -9.123 8.260 -2.017 1.00 0.00 H new ATOM 0 HA ILE A 28 -7.984 10.744 -0.945 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.604 10.063 -3.835 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.205 8.245 -3.303 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.053 9.445 -3.854 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.710 11.638 -4.257 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.005 12.418 -3.317 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.522 11.866 -2.502 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.284 8.395 -1.746 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.614 10.126 -1.495 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.784 8.907 -0.936 1.00 0.00 H new ATOM 456 N GLN A 29 -10.877 10.831 -0.953 1.00 0.00 N ATOM 457 CA GLN A 29 -12.151 11.558 -0.980 1.00 0.00 C ATOM 458 C GLN A 29 -11.928 13.034 -0.632 1.00 0.00 C ATOM 459 O GLN A 29 -12.597 13.918 -1.169 1.00 0.00 O ATOM 460 CB GLN A 29 -13.167 10.947 0.002 1.00 0.00 C ATOM 461 CG GLN A 29 -12.538 10.769 1.392 1.00 0.00 C ATOM 462 CD GLN A 29 -13.192 11.730 2.383 1.00 0.00 C ATOM 463 OE1 GLN A 29 -14.416 11.770 2.505 1.00 0.00 O ATOM 464 NE2 GLN A 29 -12.441 12.515 3.109 1.00 0.00 N ATOM 0 H GLN A 29 -10.802 10.128 -0.217 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.555 11.477 -1.989 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.044 11.591 0.074 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.509 9.983 -0.374 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.666 9.741 1.730 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.466 10.957 1.343 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -11.426 12.484 3.010 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -12.870 13.158 3.774 1.00 0.00 H new ATOM 473 N ASP A 30 -10.968 13.285 0.265 1.00 0.00 N ATOM 474 CA ASP A 30 -10.640 14.650 0.676 1.00 0.00 C ATOM 475 C ASP A 30 -9.222 14.697 1.260 1.00 0.00 C ATOM 476 O ASP A 30 -8.985 15.284 2.319 1.00 0.00 O ATOM 477 CB ASP A 30 -11.649 15.156 1.716 1.00 0.00 C ATOM 478 CG ASP A 30 -11.966 16.624 1.450 1.00 0.00 C ATOM 479 OD1 ASP A 30 -11.234 17.467 1.942 1.00 0.00 O ATOM 480 OD2 ASP A 30 -12.937 16.885 0.758 1.00 0.00 O ATOM 0 H ASP A 30 -10.408 12.562 0.717 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.688 15.296 -0.201 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.562 14.562 1.670 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.242 15.038 2.720 1.00 0.00 H new ATOM 485 N ALA A 31 -8.281 14.064 0.549 1.00 0.00 N ATOM 486 CA ALA A 31 -6.887 14.025 0.990 1.00 0.00 C ATOM 487 C ALA A 31 -6.204 15.372 0.751 1.00 0.00 C ATOM 488 O ALA A 31 -6.564 16.114 -0.167 1.00 0.00 O ATOM 489 CB ALA A 31 -6.120 12.937 0.239 1.00 0.00 C ATOM 0 H ALA A 31 -8.461 13.576 -0.328 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.882 13.805 2.058 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.084 12.921 0.579 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.580 11.968 0.432 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.148 13.145 -0.831 1.00 0.00 H new ATOM 495 N GLU A 32 -5.213 15.674 1.591 1.00 0.00 N ATOM 496 CA GLU A 32 -4.474 16.934 1.478 1.00 0.00 C ATOM 497 C GLU A 32 -3.493 16.901 0.301 1.00 0.00 C ATOM 498 O GLU A 32 -3.290 17.912 -0.374 1.00 0.00 O ATOM 499 CB GLU A 32 -3.711 17.233 2.776 1.00 0.00 C ATOM 500 CG GLU A 32 -2.687 16.128 3.066 1.00 0.00 C ATOM 501 CD GLU A 32 -1.800 16.546 4.234 1.00 0.00 C ATOM 502 OE1 GLU A 32 -2.192 16.309 5.365 1.00 0.00 O ATOM 503 OE2 GLU A 32 -0.741 17.096 3.980 1.00 0.00 O ATOM 0 H GLU A 32 -4.904 15.069 2.352 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.203 17.725 1.300 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.204 18.194 2.693 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.412 17.314 3.606 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.200 15.196 3.301 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.077 15.942 2.182 1.00 0.00 H new ATOM 510 N ASP A 33 -2.890 15.733 0.064 1.00 0.00 N ATOM 511 CA ASP A 33 -1.931 15.581 -1.037 1.00 0.00 C ATOM 512 C ASP A 33 -2.529 14.770 -2.198 1.00 0.00 C ATOM 513 O ASP A 33 -1.856 14.535 -3.203 1.00 0.00 O ATOM 514 CB ASP A 33 -0.659 14.875 -0.548 1.00 0.00 C ATOM 515 CG ASP A 33 -0.013 15.680 0.580 1.00 0.00 C ATOM 516 OD1 ASP A 33 0.348 16.822 0.338 1.00 0.00 O ATOM 517 OD2 ASP A 33 0.115 15.142 1.667 1.00 0.00 O ATOM 0 H ASP A 33 -3.045 14.887 0.612 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.689 16.583 -1.392 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.902 13.872 -0.197 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.044 14.762 -1.373 1.00 0.00 H new ATOM 522 N GLY A 34 -3.792 14.342 -2.054 1.00 0.00 N ATOM 523 CA GLY A 34 -4.451 13.554 -3.099 1.00 0.00 C ATOM 524 C GLY A 34 -3.832 12.158 -3.211 1.00 0.00 C ATOM 525 O GLY A 34 -3.796 11.571 -4.294 1.00 0.00 O ATOM 0 H GLY A 34 -4.369 14.527 -1.234 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.514 13.467 -2.876 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.367 14.070 -4.055 1.00 0.00 H new ATOM 529 N CYS A 35 -3.342 11.640 -2.079 1.00 0.00 N ATOM 530 CA CYS A 35 -2.716 10.315 -2.052 1.00 0.00 C ATOM 531 C CYS A 35 -3.076 9.580 -0.760 1.00 0.00 C ATOM 532 O CYS A 35 -3.737 10.130 0.122 1.00 0.00 O ATOM 533 CB CYS A 35 -1.193 10.443 -2.135 1.00 0.00 C ATOM 534 SG CYS A 35 -0.739 11.451 -3.568 1.00 0.00 S ATOM 0 H CYS A 35 -3.367 12.115 -1.176 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.085 9.752 -2.909 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.807 10.897 -1.222 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.740 9.455 -2.216 1.00 0.00 H new ATOM 0 HG CYS A 35 -1.188 12.660 -3.408 1.00 0.00 H new ATOM 540 N ILE A 36 -2.622 8.327 -0.657 1.00 0.00 N ATOM 541 CA ILE A 36 -2.890 7.520 0.535 1.00 0.00 C ATOM 542 C ILE A 36 -1.619 7.374 1.372 1.00 0.00 C ATOM 543 O ILE A 36 -0.549 7.837 0.981 1.00 0.00 O ATOM 544 CB ILE A 36 -3.415 6.127 0.152 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.395 5.406 -0.739 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.741 6.262 -0.601 1.00 0.00 C ATOM 547 CD1 ILE A 36 -1.783 4.238 0.034 1.00 0.00 C ATOM 0 H ILE A 36 -2.074 7.855 -1.376 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.654 8.032 1.121 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.570 5.547 1.062 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.880 5.043 -1.645 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.614 6.099 -1.051 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.109 5.272 -0.870 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.472 6.760 0.036 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.587 6.850 -1.506 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.058 3.724 -0.597 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.284 4.614 0.927 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.570 3.541 0.324 1.00 0.00 H new ATOM 559 N SER A 37 -1.749 6.729 2.530 1.00 0.00 N ATOM 560 CA SER A 37 -0.605 6.528 3.417 1.00 0.00 C ATOM 561 C SER A 37 0.037 5.165 3.167 1.00 0.00 C ATOM 562 O SER A 37 -0.646 4.190 2.845 1.00 0.00 O ATOM 563 CB SER A 37 -1.040 6.615 4.881 1.00 0.00 C ATOM 564 OG SER A 37 0.081 6.963 5.684 1.00 0.00 O ATOM 0 H SER A 37 -2.627 6.340 2.874 1.00 0.00 H new ATOM 0 HA SER A 37 0.122 7.313 3.207 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.828 7.359 4.995 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.453 5.661 5.207 1.00 0.00 H new ATOM 0 HG SER A 37 -0.230 7.329 6.538 1.00 0.00 H new ATOM 570 N THR A 38 1.359 5.110 3.334 1.00 0.00 N ATOM 571 CA THR A 38 2.101 3.856 3.144 1.00 0.00 C ATOM 572 C THR A 38 1.573 2.779 4.095 1.00 0.00 C ATOM 573 O THR A 38 1.427 1.616 3.716 1.00 0.00 O ATOM 574 CB THR A 38 3.603 4.059 3.399 1.00 0.00 C ATOM 575 OG1 THR A 38 3.806 4.573 4.712 1.00 0.00 O ATOM 576 CG2 THR A 38 4.176 5.034 2.366 1.00 0.00 C ATOM 0 H THR A 38 1.936 5.909 3.598 1.00 0.00 H new ATOM 0 HA THR A 38 1.957 3.538 2.111 1.00 0.00 H new ATOM 0 HB THR A 38 4.113 3.100 3.309 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.765 4.699 4.869 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.241 5.175 2.550 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.032 4.629 1.364 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.664 5.993 2.447 1.00 0.00 H new ATOM 584 N LYS A 39 1.275 3.190 5.335 1.00 0.00 N ATOM 585 CA LYS A 39 0.745 2.268 6.343 1.00 0.00 C ATOM 586 C LYS A 39 -0.691 1.844 6.000 1.00 0.00 C ATOM 587 O LYS A 39 -1.149 0.780 6.420 1.00 0.00 O ATOM 588 CB LYS A 39 0.765 2.927 7.729 1.00 0.00 C ATOM 589 CG LYS A 39 -0.174 4.141 7.753 1.00 0.00 C ATOM 590 CD LYS A 39 -0.363 4.618 9.195 1.00 0.00 C ATOM 591 CE LYS A 39 -0.480 6.145 9.223 1.00 0.00 C ATOM 592 NZ LYS A 39 -1.851 6.554 8.794 1.00 0.00 N ATOM 0 H LYS A 39 1.392 4.149 5.661 1.00 0.00 H new ATOM 0 HA LYS A 39 1.379 1.382 6.352 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.458 2.206 8.487 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.780 3.238 7.977 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.240 4.945 7.145 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.138 3.876 7.318 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.258 4.167 9.623 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.479 4.297 9.808 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.277 6.516 10.228 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.265 6.588 8.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.926 7.591 8.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.029 6.213 7.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.554 6.143 9.441 1.00 0.00 H new ATOM 606 N GLU A 40 -1.393 2.689 5.230 1.00 0.00 N ATOM 607 CA GLU A 40 -2.773 2.394 4.831 1.00 0.00 C ATOM 608 C GLU A 40 -2.824 1.406 3.656 1.00 0.00 C ATOM 609 O GLU A 40 -3.909 0.995 3.237 1.00 0.00 O ATOM 610 CB GLU A 40 -3.499 3.683 4.429 1.00 0.00 C ATOM 611 CG GLU A 40 -3.824 4.509 5.679 1.00 0.00 C ATOM 612 CD GLU A 40 -4.809 3.747 6.564 1.00 0.00 C ATOM 613 OE1 GLU A 40 -5.959 3.627 6.173 1.00 0.00 O ATOM 614 OE2 GLU A 40 -4.397 3.294 7.620 1.00 0.00 O ATOM 0 H GLU A 40 -1.030 3.574 4.875 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.267 1.940 5.690 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.876 4.265 3.749 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.417 3.442 3.893 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.910 4.719 6.234 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.250 5.470 5.390 1.00 0.00 H new ATOM 621 N LEU A 41 -1.652 1.021 3.129 1.00 0.00 N ATOM 622 CA LEU A 41 -1.594 0.072 2.013 1.00 0.00 C ATOM 623 C LEU A 41 -2.236 -1.261 2.409 1.00 0.00 C ATOM 624 O LEU A 41 -2.960 -1.869 1.625 1.00 0.00 O ATOM 625 CB LEU A 41 -0.142 -0.173 1.590 1.00 0.00 C ATOM 626 CG LEU A 41 0.071 -0.509 0.110 1.00 0.00 C ATOM 627 CD1 LEU A 41 -0.592 -1.850 -0.219 1.00 0.00 C ATOM 628 CD2 LEU A 41 -0.540 0.594 -0.761 1.00 0.00 C ATOM 0 H LEU A 41 -0.743 1.349 3.455 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.144 0.503 1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.442 0.716 1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.259 -0.989 2.190 1.00 0.00 H new ATOM 0 HG LEU A 41 1.140 -0.579 -0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.437 -2.084 -1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.150 -2.635 0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.661 -1.787 -0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.387 0.353 -1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.608 0.669 -0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.060 1.546 -0.533 1.00 0.00 H new ATOM 640 N GLY A 42 -1.971 -1.702 3.641 1.00 0.00 N ATOM 641 CA GLY A 42 -2.541 -2.959 4.134 1.00 0.00 C ATOM 642 C GLY A 42 -4.075 -2.899 4.189 1.00 0.00 C ATOM 643 O GLY A 42 -4.742 -3.935 4.248 1.00 0.00 O ATOM 0 H GLY A 42 -1.373 -1.215 4.309 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.231 -3.779 3.486 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.148 -3.172 5.128 1.00 0.00 H new ATOM 647 N LYS A 43 -4.627 -1.678 4.172 1.00 0.00 N ATOM 648 CA LYS A 43 -6.080 -1.489 4.222 1.00 0.00 C ATOM 649 C LYS A 43 -6.699 -1.618 2.828 1.00 0.00 C ATOM 650 O LYS A 43 -7.779 -2.193 2.671 1.00 0.00 O ATOM 651 CB LYS A 43 -6.423 -0.106 4.788 1.00 0.00 C ATOM 652 CG LYS A 43 -5.780 0.068 6.170 1.00 0.00 C ATOM 653 CD LYS A 43 -6.828 -0.178 7.258 1.00 0.00 C ATOM 654 CE LYS A 43 -6.403 0.531 8.548 1.00 0.00 C ATOM 655 NZ LYS A 43 -7.615 0.964 9.302 1.00 0.00 N ATOM 0 H LYS A 43 -4.091 -0.812 4.124 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.489 -2.264 4.870 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.068 0.671 4.112 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.504 0.007 4.864 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.950 -0.629 6.286 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.369 1.073 6.267 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.800 0.191 6.931 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.937 -1.248 7.437 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.800 -0.139 9.162 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.781 1.394 8.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.326 1.445 10.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.173 1.617 8.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.192 0.132 9.539 1.00 0.00 H new ATOM 669 N VAL A 44 -6.005 -1.079 1.818 1.00 0.00 N ATOM 670 CA VAL A 44 -6.501 -1.141 0.438 1.00 0.00 C ATOM 671 C VAL A 44 -6.427 -2.573 -0.101 1.00 0.00 C ATOM 672 O VAL A 44 -7.273 -2.984 -0.895 1.00 0.00 O ATOM 673 CB VAL A 44 -5.715 -0.197 -0.489 1.00 0.00 C ATOM 674 CG1 VAL A 44 -5.985 1.255 -0.087 1.00 0.00 C ATOM 675 CG2 VAL A 44 -4.214 -0.473 -0.388 1.00 0.00 C ATOM 0 H VAL A 44 -5.110 -0.601 1.927 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.542 -0.817 0.454 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.039 -0.368 -1.516 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.428 1.924 -0.743 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.051 1.465 -0.175 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.668 1.412 0.944 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.674 0.204 -1.050 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.884 -0.316 0.639 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.013 -1.504 -0.680 1.00 0.00 H new ATOM 685 N MET A 45 -5.417 -3.332 0.352 1.00 0.00 N ATOM 686 CA MET A 45 -5.265 -4.727 -0.080 1.00 0.00 C ATOM 687 C MET A 45 -6.498 -5.536 0.315 1.00 0.00 C ATOM 688 O MET A 45 -6.937 -6.417 -0.424 1.00 0.00 O ATOM 689 CB MET A 45 -4.026 -5.382 0.555 1.00 0.00 C ATOM 690 CG MET A 45 -2.781 -4.518 0.318 1.00 0.00 C ATOM 691 SD MET A 45 -1.896 -5.123 -1.137 1.00 0.00 S ATOM 692 CE MET A 45 -3.136 -4.628 -2.355 1.00 0.00 C ATOM 0 H MET A 45 -4.705 -3.009 1.007 1.00 0.00 H new ATOM 0 HA MET A 45 -5.146 -4.721 -1.163 1.00 0.00 H new ATOM 0 HB2 MET A 45 -4.186 -5.515 1.625 1.00 0.00 H new ATOM 0 HB3 MET A 45 -3.874 -6.374 0.130 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.070 -3.477 0.174 1.00 0.00 H new ATOM 0 HG3 MET A 45 -2.131 -4.551 1.192 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.652 -4.452 -3.316 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.877 -5.420 -2.462 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.627 -3.714 -2.023 1.00 0.00 H new ATOM 702 N ARG A 46 -7.057 -5.217 1.485 1.00 0.00 N ATOM 703 CA ARG A 46 -8.253 -5.911 1.975 1.00 0.00 C ATOM 704 C ARG A 46 -9.456 -5.605 1.079 1.00 0.00 C ATOM 705 O ARG A 46 -10.298 -6.473 0.835 1.00 0.00 O ATOM 706 CB ARG A 46 -8.578 -5.480 3.410 1.00 0.00 C ATOM 707 CG ARG A 46 -7.991 -6.493 4.401 1.00 0.00 C ATOM 708 CD ARG A 46 -9.120 -7.130 5.216 1.00 0.00 C ATOM 709 NE ARG A 46 -9.625 -6.196 6.229 1.00 0.00 N ATOM 710 CZ ARG A 46 -10.791 -6.399 6.859 1.00 0.00 C ATOM 711 NH1 ARG A 46 -11.524 -7.456 6.593 1.00 0.00 N ATOM 712 NH2 ARG A 46 -11.203 -5.534 7.751 1.00 0.00 N ATOM 0 H ARG A 46 -6.705 -4.489 2.107 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.048 -6.981 1.956 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.168 -4.489 3.604 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.658 -5.410 3.543 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.438 -7.263 3.864 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.284 -5.998 5.066 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.932 -7.426 4.551 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.758 -8.037 5.700 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.074 -5.370 6.460 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.208 -8.134 5.900 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.409 -7.598 7.080 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.638 -4.712 7.963 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.089 -5.682 8.234 1.00 0.00 H new ATOM 726 N MET A 47 -9.524 -4.362 0.590 1.00 0.00 N ATOM 727 CA MET A 47 -10.623 -3.943 -0.283 1.00 0.00 C ATOM 728 C MET A 47 -10.473 -4.552 -1.679 1.00 0.00 C ATOM 729 O MET A 47 -11.464 -4.910 -2.319 1.00 0.00 O ATOM 730 CB MET A 47 -10.662 -2.414 -0.404 1.00 0.00 C ATOM 731 CG MET A 47 -11.396 -1.822 0.803 1.00 0.00 C ATOM 732 SD MET A 47 -13.182 -2.038 0.590 1.00 0.00 S ATOM 733 CE MET A 47 -13.579 -0.310 0.227 1.00 0.00 C ATOM 0 H MET A 47 -8.836 -3.634 0.783 1.00 0.00 H new ATOM 0 HA MET A 47 -11.553 -4.296 0.163 1.00 0.00 H new ATOM 0 HB2 MET A 47 -9.648 -2.017 -0.456 1.00 0.00 H new ATOM 0 HB3 MET A 47 -11.166 -2.125 -1.326 1.00 0.00 H new ATOM 0 HG2 MET A 47 -11.066 -2.312 1.719 1.00 0.00 H new ATOM 0 HG3 MET A 47 -11.157 -0.763 0.904 1.00 0.00 H new ATOM 0 HE1 MET A 47 -14.661 -0.187 0.181 1.00 0.00 H new ATOM 0 HE2 MET A 47 -13.174 0.329 1.012 1.00 0.00 H new ATOM 0 HE3 MET A 47 -13.141 -0.030 -0.731 1.00 0.00 H new ATOM 743 N LEU A 48 -9.224 -4.665 -2.145 1.00 0.00 N ATOM 744 CA LEU A 48 -8.952 -5.231 -3.467 1.00 0.00 C ATOM 745 C LEU A 48 -9.188 -6.744 -3.466 1.00 0.00 C ATOM 746 O LEU A 48 -9.947 -7.264 -4.286 1.00 0.00 O ATOM 747 CB LEU A 48 -7.502 -4.947 -3.886 1.00 0.00 C ATOM 748 CG LEU A 48 -7.333 -4.284 -5.259 1.00 0.00 C ATOM 749 CD1 LEU A 48 -8.023 -5.133 -6.329 1.00 0.00 C ATOM 750 CD2 LEU A 48 -7.955 -2.884 -5.235 1.00 0.00 C ATOM 0 H LEU A 48 -8.393 -4.374 -1.630 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.632 -4.762 -4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.043 -4.307 -3.133 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.950 -5.887 -3.885 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.271 -4.204 -5.491 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.901 -4.660 -7.303 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.575 -6.127 -6.350 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.085 -5.218 -6.097 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.834 -2.415 -6.211 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.016 -2.961 -4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.458 -2.278 -4.477 1.00 0.00 H new ATOM 762 N GLY A 49 -8.529 -7.439 -2.534 1.00 0.00 N ATOM 763 CA GLY A 49 -8.668 -8.893 -2.424 1.00 0.00 C ATOM 764 C GLY A 49 -7.325 -9.547 -2.101 1.00 0.00 C ATOM 765 O GLY A 49 -6.866 -10.438 -2.818 1.00 0.00 O ATOM 0 H GLY A 49 -7.898 -7.021 -1.850 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.391 -9.135 -1.645 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.058 -9.297 -3.358 1.00 0.00 H new ATOM 769 N GLN A 50 -6.703 -9.090 -1.011 1.00 0.00 N ATOM 770 CA GLN A 50 -5.406 -9.625 -0.585 1.00 0.00 C ATOM 771 C GLN A 50 -5.200 -9.396 0.914 1.00 0.00 C ATOM 772 O GLN A 50 -5.805 -8.501 1.509 1.00 0.00 O ATOM 773 CB GLN A 50 -4.268 -8.945 -1.352 1.00 0.00 C ATOM 774 CG GLN A 50 -3.795 -9.859 -2.485 1.00 0.00 C ATOM 775 CD GLN A 50 -2.358 -9.512 -2.866 1.00 0.00 C ATOM 776 OE1 GLN A 50 -1.488 -9.395 -2.002 1.00 0.00 O ATOM 777 NE2 GLN A 50 -2.051 -9.341 -4.125 1.00 0.00 N ATOM 0 H GLN A 50 -7.074 -8.354 -0.410 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.398 -10.695 -0.795 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.608 -7.992 -1.758 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.440 -8.727 -0.677 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.856 -10.902 -2.173 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.447 -9.747 -3.351 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.769 -9.437 -4.843 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.093 -9.111 -4.390 1.00 0.00 H new ATOM 786 N ASN A 51 -4.334 -10.216 1.517 1.00 0.00 N ATOM 787 CA ASN A 51 -4.052 -10.094 2.947 1.00 0.00 C ATOM 788 C ASN A 51 -2.601 -10.486 3.253 1.00 0.00 C ATOM 789 O ASN A 51 -2.327 -11.595 3.719 1.00 0.00 O ATOM 790 CB ASN A 51 -5.006 -10.980 3.760 1.00 0.00 C ATOM 791 CG ASN A 51 -5.064 -10.481 5.202 1.00 0.00 C ATOM 792 OD1 ASN A 51 -4.452 -11.067 6.092 1.00 0.00 O ATOM 793 ND2 ASN A 51 -5.772 -9.419 5.487 1.00 0.00 N ATOM 0 H ASN A 51 -3.823 -10.961 1.044 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.202 -9.052 3.230 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.002 -10.961 3.318 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.666 -12.015 3.736 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.816 -9.078 6.447 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.280 -8.932 4.749 1.00 0.00 H new ATOM 800 N PRO A 52 -1.658 -9.567 2.999 1.00 0.00 N ATOM 801 CA PRO A 52 -0.224 -9.806 3.258 1.00 0.00 C ATOM 802 C PRO A 52 0.155 -9.548 4.718 1.00 0.00 C ATOM 803 O PRO A 52 -0.713 -9.410 5.584 1.00 0.00 O ATOM 804 CB PRO A 52 0.441 -8.783 2.341 1.00 0.00 C ATOM 805 CG PRO A 52 -0.575 -7.674 2.099 1.00 0.00 C ATOM 806 CD PRO A 52 -1.962 -8.234 2.438 1.00 0.00 C ATOM 0 HA PRO A 52 0.073 -10.839 3.074 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.345 -8.384 2.800 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.739 -9.245 1.400 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.350 -6.807 2.720 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.539 -7.342 1.062 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.486 -7.604 3.157 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.596 -8.304 1.554 1.00 0.00 H new ATOM 814 N THR A 53 1.461 -9.468 4.975 1.00 0.00 N ATOM 815 CA THR A 53 1.956 -9.207 6.327 1.00 0.00 C ATOM 816 C THR A 53 2.469 -7.767 6.407 1.00 0.00 C ATOM 817 O THR A 53 2.604 -7.096 5.382 1.00 0.00 O ATOM 818 CB THR A 53 3.091 -10.186 6.697 1.00 0.00 C ATOM 819 OG1 THR A 53 4.326 -9.722 6.166 1.00 0.00 O ATOM 820 CG2 THR A 53 2.791 -11.576 6.134 1.00 0.00 C ATOM 0 H THR A 53 2.190 -9.579 4.271 1.00 0.00 H new ATOM 0 HA THR A 53 1.138 -9.350 7.033 1.00 0.00 H new ATOM 0 HB THR A 53 3.161 -10.243 7.783 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.041 -10.348 6.406 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.598 -12.259 6.401 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.853 -11.943 6.551 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.708 -11.519 5.049 1.00 0.00 H new ATOM 828 N PRO A 54 2.779 -7.278 7.611 1.00 0.00 N ATOM 829 CA PRO A 54 3.294 -5.905 7.781 1.00 0.00 C ATOM 830 C PRO A 54 4.724 -5.754 7.262 1.00 0.00 C ATOM 831 O PRO A 54 5.137 -4.670 6.848 1.00 0.00 O ATOM 832 CB PRO A 54 3.216 -5.705 9.289 1.00 0.00 C ATOM 833 CG PRO A 54 3.214 -7.090 9.917 1.00 0.00 C ATOM 834 CD PRO A 54 2.651 -8.050 8.868 1.00 0.00 C ATOM 0 HA PRO A 54 2.728 -5.165 7.215 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.064 -5.120 9.646 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.314 -5.156 9.560 1.00 0.00 H new ATOM 0 HG2 PRO A 54 4.222 -7.384 10.208 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.604 -7.104 10.821 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.215 -8.982 8.829 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.614 -8.313 9.077 1.00 0.00 H new ATOM 842 N GLU A 55 5.464 -6.864 7.274 1.00 0.00 N ATOM 843 CA GLU A 55 6.842 -6.868 6.786 1.00 0.00 C ATOM 844 C GLU A 55 6.863 -7.041 5.265 1.00 0.00 C ATOM 845 O GLU A 55 7.662 -6.409 4.571 1.00 0.00 O ATOM 846 CB GLU A 55 7.645 -8.008 7.428 1.00 0.00 C ATOM 847 CG GLU A 55 7.352 -8.070 8.932 1.00 0.00 C ATOM 848 CD GLU A 55 8.313 -9.047 9.603 1.00 0.00 C ATOM 849 OE1 GLU A 55 8.026 -10.234 9.591 1.00 0.00 O ATOM 850 OE2 GLU A 55 9.320 -8.595 10.123 1.00 0.00 O ATOM 0 H GLU A 55 5.133 -7.767 7.615 1.00 0.00 H new ATOM 0 HA GLU A 55 7.296 -5.914 7.056 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.385 -8.957 6.959 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.711 -7.852 7.262 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.458 -7.079 9.374 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.322 -8.385 9.099 1.00 0.00 H new ATOM 857 N GLU A 56 5.972 -7.908 4.758 1.00 0.00 N ATOM 858 CA GLU A 56 5.891 -8.168 3.318 1.00 0.00 C ATOM 859 C GLU A 56 5.360 -6.948 2.567 1.00 0.00 C ATOM 860 O GLU A 56 5.967 -6.500 1.593 1.00 0.00 O ATOM 861 CB GLU A 56 4.980 -9.369 3.037 1.00 0.00 C ATOM 862 CG GLU A 56 5.729 -10.668 3.353 1.00 0.00 C ATOM 863 CD GLU A 56 6.659 -11.020 2.193 1.00 0.00 C ATOM 864 OE1 GLU A 56 6.197 -11.660 1.262 1.00 0.00 O ATOM 865 OE2 GLU A 56 7.820 -10.646 2.253 1.00 0.00 O ATOM 0 H GLU A 56 5.304 -8.435 5.321 1.00 0.00 H new ATOM 0 HA GLU A 56 6.900 -8.387 2.968 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.076 -9.302 3.643 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.666 -9.363 1.993 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.305 -10.553 4.272 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.019 -11.477 3.521 1.00 0.00 H new ATOM 872 N LEU A 57 4.224 -6.409 3.033 1.00 0.00 N ATOM 873 CA LEU A 57 3.629 -5.232 2.393 1.00 0.00 C ATOM 874 C LEU A 57 4.608 -4.050 2.417 1.00 0.00 C ATOM 875 O LEU A 57 4.603 -3.214 1.512 1.00 0.00 O ATOM 876 CB LEU A 57 2.309 -4.846 3.089 1.00 0.00 C ATOM 877 CG LEU A 57 2.220 -3.416 3.642 1.00 0.00 C ATOM 878 CD1 LEU A 57 0.751 -3.001 3.751 1.00 0.00 C ATOM 879 CD2 LEU A 57 2.867 -3.357 5.030 1.00 0.00 C ATOM 0 H LEU A 57 3.707 -6.764 3.838 1.00 0.00 H new ATOM 0 HA LEU A 57 3.414 -5.482 1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.494 -4.989 2.379 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.141 -5.541 3.911 1.00 0.00 H new ATOM 0 HG LEU A 57 2.744 -2.738 2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.688 -1.986 4.144 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.288 -3.038 2.765 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.229 -3.683 4.422 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.802 -2.341 5.419 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.346 -4.037 5.704 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.914 -3.651 4.956 1.00 0.00 H new ATOM 891 N GLN A 58 5.451 -3.995 3.460 1.00 0.00 N ATOM 892 CA GLN A 58 6.435 -2.915 3.587 1.00 0.00 C ATOM 893 C GLN A 58 7.376 -2.893 2.382 1.00 0.00 C ATOM 894 O GLN A 58 7.700 -1.826 1.861 1.00 0.00 O ATOM 895 CB GLN A 58 7.264 -3.079 4.867 1.00 0.00 C ATOM 896 CG GLN A 58 7.813 -1.715 5.305 1.00 0.00 C ATOM 897 CD GLN A 58 6.656 -0.782 5.654 1.00 0.00 C ATOM 898 OE1 GLN A 58 6.117 -0.840 6.761 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.234 0.081 4.769 1.00 0.00 N ATOM 0 H GLN A 58 5.470 -4.678 4.218 1.00 0.00 H new ATOM 0 HA GLN A 58 5.885 -1.975 3.633 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.648 -3.505 5.659 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.086 -3.774 4.693 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.468 -1.836 6.168 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.415 -1.281 4.506 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.679 0.130 3.852 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.460 0.705 4.994 1.00 0.00 H new ATOM 908 N GLU A 59 7.802 -4.082 1.938 1.00 0.00 N ATOM 909 CA GLU A 59 8.697 -4.187 0.779 1.00 0.00 C ATOM 910 C GLU A 59 8.061 -3.528 -0.443 1.00 0.00 C ATOM 911 O GLU A 59 8.733 -2.835 -1.206 1.00 0.00 O ATOM 912 CB GLU A 59 8.992 -5.654 0.449 1.00 0.00 C ATOM 913 CG GLU A 59 9.950 -6.241 1.492 1.00 0.00 C ATOM 914 CD GLU A 59 9.600 -7.708 1.742 1.00 0.00 C ATOM 915 OE1 GLU A 59 9.673 -8.487 0.804 1.00 0.00 O ATOM 916 OE2 GLU A 59 9.267 -8.032 2.869 1.00 0.00 O ATOM 0 H GLU A 59 7.545 -4.975 2.358 1.00 0.00 H new ATOM 0 HA GLU A 59 9.628 -3.680 1.032 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.064 -6.226 0.432 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.432 -5.731 -0.545 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.979 -6.157 1.143 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.881 -5.677 2.422 1.00 0.00 H new ATOM 923 N MET A 60 6.753 -3.748 -0.610 1.00 0.00 N ATOM 924 CA MET A 60 6.022 -3.164 -1.736 1.00 0.00 C ATOM 925 C MET A 60 6.017 -1.639 -1.637 1.00 0.00 C ATOM 926 O MET A 60 6.156 -0.946 -2.644 1.00 0.00 O ATOM 927 CB MET A 60 4.573 -3.669 -1.760 1.00 0.00 C ATOM 928 CG MET A 60 4.555 -5.178 -2.018 1.00 0.00 C ATOM 929 SD MET A 60 4.895 -5.497 -3.768 1.00 0.00 S ATOM 930 CE MET A 60 6.244 -6.680 -3.528 1.00 0.00 C ATOM 0 H MET A 60 6.184 -4.321 0.014 1.00 0.00 H new ATOM 0 HA MET A 60 6.525 -3.467 -2.654 1.00 0.00 H new ATOM 0 HB2 MET A 60 4.085 -3.447 -0.811 1.00 0.00 H new ATOM 0 HB3 MET A 60 4.010 -3.151 -2.537 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.301 -5.673 -1.396 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.585 -5.593 -1.744 1.00 0.00 H new ATOM 0 HE1 MET A 60 6.612 -7.014 -4.498 1.00 0.00 H new ATOM 0 HE2 MET A 60 7.054 -6.201 -2.978 1.00 0.00 H new ATOM 0 HE3 MET A 60 5.879 -7.538 -2.963 1.00 0.00 H new ATOM 940 N ILE A 61 5.854 -1.128 -0.409 1.00 0.00 N ATOM 941 CA ILE A 61 5.829 0.317 -0.169 1.00 0.00 C ATOM 942 C ILE A 61 7.086 0.988 -0.726 1.00 0.00 C ATOM 943 O ILE A 61 7.025 1.690 -1.732 1.00 0.00 O ATOM 944 CB ILE A 61 5.724 0.598 1.341 1.00 0.00 C ATOM 945 CG1 ILE A 61 4.371 0.104 1.879 1.00 0.00 C ATOM 946 CG2 ILE A 61 5.868 2.097 1.607 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.244 0.506 0.926 1.00 0.00 C ATOM 0 H ILE A 61 5.738 -1.695 0.431 1.00 0.00 H new ATOM 0 HA ILE A 61 4.959 0.729 -0.680 1.00 0.00 H new ATOM 0 HB ILE A 61 6.526 0.065 1.852 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.391 -0.980 1.993 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.189 0.526 2.868 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.792 2.285 2.678 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.838 2.439 1.246 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.076 2.637 1.087 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.291 0.150 1.318 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.216 1.592 0.834 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.421 0.063 -0.054 1.00 0.00 H new ATOM 959 N ASP A 62 8.218 0.773 -0.050 1.00 0.00 N ATOM 960 CA ASP A 62 9.492 1.371 -0.473 1.00 0.00 C ATOM 961 C ASP A 62 9.791 1.089 -1.952 1.00 0.00 C ATOM 962 O ASP A 62 10.387 1.921 -2.640 1.00 0.00 O ATOM 963 CB ASP A 62 10.647 0.842 0.390 1.00 0.00 C ATOM 964 CG ASP A 62 10.880 -0.648 0.132 1.00 0.00 C ATOM 965 OD1 ASP A 62 11.642 -0.966 -0.769 1.00 0.00 O ATOM 966 OD2 ASP A 62 10.301 -1.446 0.846 1.00 0.00 O ATOM 0 H ASP A 62 8.281 0.194 0.787 1.00 0.00 H new ATOM 0 HA ASP A 62 9.400 2.449 -0.342 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.557 1.400 0.170 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.422 1.002 1.444 1.00 0.00 H new ATOM 971 N GLU A 63 9.382 -0.093 -2.426 1.00 0.00 N ATOM 972 CA GLU A 63 9.624 -0.479 -3.821 1.00 0.00 C ATOM 973 C GLU A 63 8.859 0.419 -4.797 1.00 0.00 C ATOM 974 O GLU A 63 9.432 0.932 -5.760 1.00 0.00 O ATOM 975 CB GLU A 63 9.201 -1.931 -4.058 1.00 0.00 C ATOM 976 CG GLU A 63 10.385 -2.862 -3.785 1.00 0.00 C ATOM 977 CD GLU A 63 10.013 -4.286 -4.182 1.00 0.00 C ATOM 978 OE1 GLU A 63 10.207 -4.629 -5.338 1.00 0.00 O ATOM 979 OE2 GLU A 63 9.539 -5.015 -3.325 1.00 0.00 O ATOM 0 H GLU A 63 8.887 -0.792 -1.872 1.00 0.00 H new ATOM 0 HA GLU A 63 10.693 -0.367 -4.001 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.366 -2.188 -3.407 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.855 -2.057 -5.084 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.258 -2.532 -4.348 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.654 -2.826 -2.729 1.00 0.00 H new ATOM 986 N VAL A 64 7.555 0.585 -4.553 1.00 0.00 N ATOM 987 CA VAL A 64 6.717 1.406 -5.437 1.00 0.00 C ATOM 988 C VAL A 64 6.816 2.901 -5.112 1.00 0.00 C ATOM 989 O VAL A 64 6.427 3.737 -5.931 1.00 0.00 O ATOM 990 CB VAL A 64 5.244 0.977 -5.354 1.00 0.00 C ATOM 991 CG1 VAL A 64 5.127 -0.530 -5.606 1.00 0.00 C ATOM 992 CG2 VAL A 64 4.684 1.311 -3.966 1.00 0.00 C ATOM 0 H VAL A 64 7.061 0.169 -3.763 1.00 0.00 H new ATOM 0 HA VAL A 64 7.094 1.246 -6.447 1.00 0.00 H new ATOM 0 HB VAL A 64 4.673 1.514 -6.112 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.080 -0.829 -5.546 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.515 -0.764 -6.597 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.702 -1.070 -4.854 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.639 1.005 -3.912 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.257 0.781 -3.205 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.757 2.385 -3.793 1.00 0.00 H new ATOM 1002 N ASP A 65 7.326 3.240 -3.919 1.00 0.00 N ATOM 1003 CA ASP A 65 7.448 4.645 -3.529 1.00 0.00 C ATOM 1004 C ASP A 65 8.608 5.300 -4.285 1.00 0.00 C ATOM 1005 O ASP A 65 9.704 5.485 -3.750 1.00 0.00 O ATOM 1006 CB ASP A 65 7.671 4.782 -2.014 1.00 0.00 C ATOM 1007 CG ASP A 65 6.853 5.958 -1.474 1.00 0.00 C ATOM 1008 OD1 ASP A 65 6.967 7.044 -2.021 1.00 0.00 O ATOM 1009 OD2 ASP A 65 6.121 5.752 -0.519 1.00 0.00 O ATOM 0 H ASP A 65 7.654 2.572 -3.222 1.00 0.00 H new ATOM 0 HA ASP A 65 6.516 5.149 -3.785 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.378 3.861 -1.509 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.730 4.937 -1.805 1.00 0.00 H new ATOM 1014 N GLU A 66 8.341 5.640 -5.548 1.00 0.00 N ATOM 1015 CA GLU A 66 9.346 6.271 -6.409 1.00 0.00 C ATOM 1016 C GLU A 66 9.714 7.671 -5.906 1.00 0.00 C ATOM 1017 O GLU A 66 10.835 8.138 -6.116 1.00 0.00 O ATOM 1018 CB GLU A 66 8.825 6.383 -7.846 1.00 0.00 C ATOM 1019 CG GLU A 66 8.744 4.988 -8.478 1.00 0.00 C ATOM 1020 CD GLU A 66 10.034 4.693 -9.242 1.00 0.00 C ATOM 1021 OE1 GLU A 66 10.983 4.253 -8.615 1.00 0.00 O ATOM 1022 OE2 GLU A 66 10.051 4.909 -10.442 1.00 0.00 O ATOM 0 H GLU A 66 7.438 5.489 -5.998 1.00 0.00 H new ATOM 0 HA GLU A 66 10.235 5.641 -6.384 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.841 6.852 -7.851 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.485 7.021 -8.434 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.588 4.236 -7.704 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.890 4.933 -9.153 1.00 0.00 H new ATOM 1029 N ASP A 67 8.762 8.338 -5.243 1.00 0.00 N ATOM 1030 CA ASP A 67 9.007 9.685 -4.721 1.00 0.00 C ATOM 1031 C ASP A 67 9.750 9.621 -3.387 1.00 0.00 C ATOM 1032 O ASP A 67 10.723 10.347 -3.172 1.00 0.00 O ATOM 1033 CB ASP A 67 7.686 10.443 -4.510 1.00 0.00 C ATOM 1034 CG ASP A 67 6.810 10.351 -5.760 1.00 0.00 C ATOM 1035 OD1 ASP A 67 7.292 10.686 -6.831 1.00 0.00 O ATOM 1036 OD2 ASP A 67 5.665 9.950 -5.626 1.00 0.00 O ATOM 0 H ASP A 67 7.828 7.973 -5.058 1.00 0.00 H new ATOM 0 HA ASP A 67 9.615 10.212 -5.457 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.154 10.027 -3.654 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.892 11.488 -4.280 1.00 0.00 H new ATOM 1041 N GLY A 68 9.269 8.755 -2.488 1.00 0.00 N ATOM 1042 CA GLY A 68 9.881 8.613 -1.166 1.00 0.00 C ATOM 1043 C GLY A 68 9.502 9.797 -0.281 1.00 0.00 C ATOM 1044 O GLY A 68 10.315 10.294 0.500 1.00 0.00 O ATOM 0 H GLY A 68 8.466 8.148 -2.651 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.552 7.683 -0.703 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.965 8.554 -1.263 1.00 0.00 H new ATOM 1048 N SER A 69 8.254 10.251 -0.431 1.00 0.00 N ATOM 1049 CA SER A 69 7.752 11.388 0.335 1.00 0.00 C ATOM 1050 C SER A 69 7.072 10.929 1.625 1.00 0.00 C ATOM 1051 O SER A 69 7.394 11.407 2.715 1.00 0.00 O ATOM 1052 CB SER A 69 6.748 12.178 -0.510 1.00 0.00 C ATOM 1053 OG SER A 69 5.817 11.279 -1.112 1.00 0.00 O ATOM 0 H SER A 69 7.576 9.846 -1.076 1.00 0.00 H new ATOM 0 HA SER A 69 8.601 12.020 0.596 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.221 12.900 0.114 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.272 12.745 -1.280 1.00 0.00 H new ATOM 0 HG SER A 69 5.174 11.786 -1.651 1.00 0.00 H new ATOM 1059 N GLY A 70 6.121 10.003 1.484 1.00 0.00 N ATOM 1060 CA GLY A 70 5.380 9.483 2.635 1.00 0.00 C ATOM 1061 C GLY A 70 4.007 8.966 2.204 1.00 0.00 C ATOM 1062 O GLY A 70 3.474 8.023 2.793 1.00 0.00 O ATOM 0 H GLY A 70 5.847 9.599 0.588 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.946 8.679 3.105 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.261 10.268 3.382 1.00 0.00 H new ATOM 1066 N THR A 71 3.443 9.596 1.168 1.00 0.00 N ATOM 1067 CA THR A 71 2.134 9.199 0.653 1.00 0.00 C ATOM 1068 C THR A 71 2.293 8.404 -0.644 1.00 0.00 C ATOM 1069 O THR A 71 3.253 8.600 -1.395 1.00 0.00 O ATOM 1070 CB THR A 71 1.264 10.434 0.380 1.00 0.00 C ATOM 1071 OG1 THR A 71 1.860 11.222 -0.644 1.00 0.00 O ATOM 1072 CG2 THR A 71 1.141 11.267 1.657 1.00 0.00 C ATOM 0 H THR A 71 3.872 10.378 0.674 1.00 0.00 H new ATOM 0 HA THR A 71 1.650 8.577 1.406 1.00 0.00 H new ATOM 0 HB THR A 71 0.273 10.112 0.059 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.302 12.009 -0.818 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.523 12.143 1.462 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.680 10.666 2.441 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.132 11.586 1.980 1.00 0.00 H new ATOM 1080 N VAL A 72 1.338 7.506 -0.899 1.00 0.00 N ATOM 1081 CA VAL A 72 1.378 6.688 -2.110 1.00 0.00 C ATOM 1082 C VAL A 72 0.462 7.279 -3.177 1.00 0.00 C ATOM 1083 O VAL A 72 -0.749 7.399 -2.982 1.00 0.00 O ATOM 1084 CB VAL A 72 0.947 5.244 -1.819 1.00 0.00 C ATOM 1085 CG1 VAL A 72 1.225 4.372 -3.047 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.735 4.700 -0.624 1.00 0.00 C ATOM 0 H VAL A 72 0.538 7.329 -0.291 1.00 0.00 H new ATOM 0 HA VAL A 72 2.407 6.681 -2.471 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.118 5.226 -1.589 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.919 3.346 -2.842 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.663 4.754 -3.899 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.291 4.394 -3.275 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.426 3.675 -0.421 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.801 4.719 -0.852 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.540 5.318 0.252 1.00 0.00 H new ATOM 1096 N ASP A 73 1.059 7.636 -4.314 1.00 0.00 N ATOM 1097 CA ASP A 73 0.301 8.210 -5.427 1.00 0.00 C ATOM 1098 C ASP A 73 -0.296 7.087 -6.272 1.00 0.00 C ATOM 1099 O ASP A 73 -0.021 5.910 -6.037 1.00 0.00 O ATOM 1100 CB ASP A 73 1.216 9.061 -6.323 1.00 0.00 C ATOM 1101 CG ASP A 73 1.870 10.178 -5.509 1.00 0.00 C ATOM 1102 OD1 ASP A 73 2.759 9.878 -4.725 1.00 0.00 O ATOM 1103 OD2 ASP A 73 1.480 11.319 -5.688 1.00 0.00 O ATOM 0 H ASP A 73 2.059 7.539 -4.489 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.489 8.838 -5.016 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.984 8.431 -6.771 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.638 9.490 -7.142 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.107 7.457 -7.264 1.00 0.00 N ATOM 1109 CA PHE A 74 -1.719 6.456 -8.139 1.00 0.00 C ATOM 1110 C PHE A 74 -0.647 5.761 -8.981 1.00 0.00 C ATOM 1111 O PHE A 74 -0.756 4.572 -9.277 1.00 0.00 O ATOM 1112 CB PHE A 74 -2.756 7.089 -9.067 1.00 0.00 C ATOM 1113 CG PHE A 74 -3.731 6.027 -9.523 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.386 5.226 -8.580 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -3.979 5.848 -10.887 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.290 4.246 -9.002 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -4.883 4.868 -11.309 1.00 0.00 C ATOM 1118 CZ PHE A 74 -5.540 4.067 -10.367 1.00 0.00 C ATOM 0 H PHE A 74 -1.352 8.423 -7.480 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.219 5.725 -7.504 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.286 7.887 -8.548 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.263 7.541 -9.928 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.193 5.365 -7.526 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.473 6.466 -11.614 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.795 3.628 -8.275 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.075 4.729 -12.363 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.239 3.312 -10.694 1.00 0.00 H new ATOM 1128 N ASP A 75 0.405 6.510 -9.338 1.00 0.00 N ATOM 1129 CA ASP A 75 1.507 5.943 -10.118 1.00 0.00 C ATOM 1130 C ASP A 75 2.219 4.871 -9.291 1.00 0.00 C ATOM 1131 O ASP A 75 2.648 3.845 -9.820 1.00 0.00 O ATOM 1132 CB ASP A 75 2.513 7.033 -10.505 1.00 0.00 C ATOM 1133 CG ASP A 75 2.165 7.584 -11.885 1.00 0.00 C ATOM 1134 OD1 ASP A 75 1.311 8.452 -11.958 1.00 0.00 O ATOM 1135 OD2 ASP A 75 2.759 7.130 -12.850 1.00 0.00 O ATOM 0 H ASP A 75 0.514 7.496 -9.102 1.00 0.00 H new ATOM 0 HA ASP A 75 1.098 5.503 -11.027 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.497 7.835 -9.767 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.523 6.624 -10.510 1.00 0.00 H new ATOM 1140 N GLU A 76 2.309 5.119 -7.979 1.00 0.00 N ATOM 1141 CA GLU A 76 2.939 4.172 -7.053 1.00 0.00 C ATOM 1142 C GLU A 76 1.942 3.065 -6.676 1.00 0.00 C ATOM 1143 O GLU A 76 2.335 1.960 -6.301 1.00 0.00 O ATOM 1144 CB GLU A 76 3.408 4.889 -5.777 1.00 0.00 C ATOM 1145 CG GLU A 76 4.014 6.253 -6.141 1.00 0.00 C ATOM 1146 CD GLU A 76 4.687 6.876 -4.916 1.00 0.00 C ATOM 1147 OE1 GLU A 76 3.996 7.129 -3.946 1.00 0.00 O ATOM 1148 OE2 GLU A 76 5.884 7.100 -4.970 1.00 0.00 O ATOM 0 H GLU A 76 1.954 5.966 -7.536 1.00 0.00 H new ATOM 0 HA GLU A 76 3.804 3.733 -7.550 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.569 5.024 -5.095 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.147 4.279 -5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.742 6.133 -6.943 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.235 6.917 -6.514 1.00 0.00 H new ATOM 1155 N PHE A 77 0.646 3.383 -6.790 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.418 2.426 -6.477 1.00 0.00 C ATOM 1157 C PHE A 77 -0.575 1.407 -7.615 1.00 0.00 C ATOM 1158 O PHE A 77 -0.782 0.216 -7.374 1.00 0.00 O ATOM 1159 CB PHE A 77 -1.742 3.179 -6.278 1.00 0.00 C ATOM 1160 CG PHE A 77 -2.824 2.234 -5.808 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -2.831 1.774 -4.486 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -3.822 1.825 -6.699 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -3.837 0.903 -4.055 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -4.830 0.953 -6.268 1.00 0.00 C ATOM 1165 CZ PHE A 77 -4.837 0.491 -4.946 1.00 0.00 C ATOM 0 H PHE A 77 0.311 4.296 -7.097 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.154 1.894 -5.563 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.607 3.978 -5.549 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.044 3.650 -7.214 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.060 2.091 -3.799 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.815 2.181 -7.718 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.843 0.548 -3.035 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.601 0.637 -6.955 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.613 -0.183 -4.613 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.481 1.898 -8.856 1.00 0.00 N ATOM 1176 CA LEU A 78 -0.618 1.045 -10.039 1.00 0.00 C ATOM 1177 C LEU A 78 0.590 0.122 -10.215 1.00 0.00 C ATOM 1178 O LEU A 78 0.427 -1.060 -10.507 1.00 0.00 O ATOM 1179 CB LEU A 78 -0.761 1.905 -11.303 1.00 0.00 C ATOM 1180 CG LEU A 78 -2.095 2.651 -11.459 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -2.356 2.920 -12.941 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -3.233 1.802 -10.889 1.00 0.00 C ATOM 0 H LEU A 78 -0.311 2.882 -9.066 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.510 0.436 -9.891 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.046 2.637 -11.314 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.622 1.264 -12.173 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.044 3.596 -10.918 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.302 3.449 -13.054 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.549 3.529 -13.348 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.403 1.974 -13.480 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.177 2.335 -11.002 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.285 0.855 -11.426 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.049 1.610 -9.832 1.00 0.00 H new ATOM 1194 N VAL A 79 1.799 0.669 -10.049 1.00 0.00 N ATOM 1195 CA VAL A 79 3.024 -0.131 -10.212 1.00 0.00 C ATOM 1196 C VAL A 79 3.014 -1.373 -9.314 1.00 0.00 C ATOM 1197 O VAL A 79 3.602 -2.394 -9.659 1.00 0.00 O ATOM 1198 CB VAL A 79 4.284 0.691 -9.904 1.00 0.00 C ATOM 1199 CG1 VAL A 79 4.496 1.742 -10.996 1.00 0.00 C ATOM 1200 CG2 VAL A 79 4.147 1.384 -8.545 1.00 0.00 C ATOM 0 H VAL A 79 1.958 1.647 -9.806 1.00 0.00 H new ATOM 0 HA VAL A 79 3.045 -0.443 -11.256 1.00 0.00 H new ATOM 0 HB VAL A 79 5.142 0.019 -9.874 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.391 2.323 -10.773 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.615 1.247 -11.960 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.633 2.406 -11.034 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.047 1.963 -8.339 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.284 2.049 -8.561 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.013 0.634 -7.766 1.00 0.00 H new ATOM 1210 N MET A 80 2.346 -1.271 -8.163 1.00 0.00 N ATOM 1211 CA MET A 80 2.266 -2.392 -7.215 1.00 0.00 C ATOM 1212 C MET A 80 1.879 -3.708 -7.908 1.00 0.00 C ATOM 1213 O MET A 80 2.379 -4.775 -7.545 1.00 0.00 O ATOM 1214 CB MET A 80 1.225 -2.090 -6.131 1.00 0.00 C ATOM 1215 CG MET A 80 1.921 -1.849 -4.791 1.00 0.00 C ATOM 1216 SD MET A 80 0.883 -0.790 -3.753 1.00 0.00 S ATOM 1217 CE MET A 80 -0.547 -1.896 -3.648 1.00 0.00 C ATOM 0 H MET A 80 1.854 -0.429 -7.863 1.00 0.00 H new ATOM 0 HA MET A 80 3.257 -2.509 -6.776 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.641 -1.213 -6.410 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.527 -2.923 -6.043 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.106 -2.799 -4.289 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.891 -1.379 -4.952 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.255 -1.507 -2.916 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.031 -1.959 -4.623 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.217 -2.889 -3.342 1.00 0.00 H new ATOM 1227 N MET A 81 0.976 -3.626 -8.894 1.00 0.00 N ATOM 1228 CA MET A 81 0.521 -4.829 -9.609 1.00 0.00 C ATOM 1229 C MET A 81 1.591 -5.374 -10.569 1.00 0.00 C ATOM 1230 O MET A 81 1.732 -6.590 -10.719 1.00 0.00 O ATOM 1231 CB MET A 81 -0.775 -4.546 -10.388 1.00 0.00 C ATOM 1232 CG MET A 81 -0.551 -3.449 -11.432 1.00 0.00 C ATOM 1233 SD MET A 81 -0.760 -4.131 -13.094 1.00 0.00 S ATOM 1234 CE MET A 81 -0.453 -2.591 -13.995 1.00 0.00 C ATOM 0 H MET A 81 0.551 -2.755 -9.212 1.00 0.00 H new ATOM 0 HA MET A 81 0.330 -5.589 -8.851 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.116 -5.457 -10.879 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.561 -4.242 -9.697 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.256 -2.633 -11.273 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.450 -3.031 -11.324 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.061 -2.821 -14.986 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.385 -2.035 -14.094 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.272 -1.988 -13.449 1.00 0.00 H new ATOM 1244 N VAL A 82 2.336 -4.474 -11.218 1.00 0.00 N ATOM 1245 CA VAL A 82 3.384 -4.894 -12.164 1.00 0.00 C ATOM 1246 C VAL A 82 4.689 -5.245 -11.440 1.00 0.00 C ATOM 1247 O VAL A 82 5.479 -6.050 -11.937 1.00 0.00 O ATOM 1248 CB VAL A 82 3.672 -3.805 -13.209 1.00 0.00 C ATOM 1249 CG1 VAL A 82 2.507 -3.716 -14.195 1.00 0.00 C ATOM 1250 CG2 VAL A 82 3.864 -2.450 -12.520 1.00 0.00 C ATOM 0 H VAL A 82 2.239 -3.464 -11.111 1.00 0.00 H new ATOM 0 HA VAL A 82 3.004 -5.782 -12.668 1.00 0.00 H new ATOM 0 HB VAL A 82 4.585 -4.064 -13.746 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.715 -2.943 -14.935 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.382 -4.675 -14.698 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.593 -3.467 -13.656 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.068 -1.686 -13.270 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.959 -2.189 -11.972 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.703 -2.510 -11.827 1.00 0.00 H new ATOM 1260 N ARG A 83 4.909 -4.644 -10.262 1.00 0.00 N ATOM 1261 CA ARG A 83 6.120 -4.913 -9.481 1.00 0.00 C ATOM 1262 C ARG A 83 6.226 -6.401 -9.122 1.00 0.00 C ATOM 1263 O ARG A 83 7.315 -6.902 -8.836 1.00 0.00 O ATOM 1264 CB ARG A 83 6.114 -4.088 -8.191 1.00 0.00 C ATOM 1265 CG ARG A 83 6.242 -2.600 -8.535 1.00 0.00 C ATOM 1266 CD ARG A 83 7.585 -2.068 -8.037 1.00 0.00 C ATOM 1267 NE ARG A 83 8.701 -2.709 -8.739 1.00 0.00 N ATOM 1268 CZ ARG A 83 9.977 -2.464 -8.407 1.00 0.00 C ATOM 1269 NH1 ARG A 83 10.269 -1.616 -7.449 1.00 0.00 N ATOM 1270 NH2 ARG A 83 10.941 -3.073 -9.051 1.00 0.00 N ATOM 0 H ARG A 83 4.269 -3.975 -9.834 1.00 0.00 H new ATOM 0 HA ARG A 83 6.977 -4.634 -10.094 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.192 -4.266 -7.637 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.938 -4.395 -7.546 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.161 -2.458 -9.613 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.426 -2.040 -8.078 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.630 -0.989 -8.186 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.675 -2.246 -6.965 1.00 0.00 H new ATOM 0 HE ARG A 83 8.502 -3.358 -9.500 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.522 -1.135 -6.948 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.243 -1.438 -7.205 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.719 -3.729 -9.800 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.914 -2.891 -8.804 1.00 0.00 H new ATOM 1284 N CYS A 84 5.084 -7.104 -9.150 1.00 0.00 N ATOM 1285 CA CYS A 84 5.061 -8.538 -8.837 1.00 0.00 C ATOM 1286 C CYS A 84 5.860 -9.336 -9.874 1.00 0.00 C ATOM 1287 O CYS A 84 6.423 -10.387 -9.561 1.00 0.00 O ATOM 1288 CB CYS A 84 3.623 -9.062 -8.809 1.00 0.00 C ATOM 1289 SG CYS A 84 2.771 -8.427 -7.343 1.00 0.00 S ATOM 0 H CYS A 84 4.174 -6.707 -9.384 1.00 0.00 H new ATOM 0 HA CYS A 84 5.515 -8.667 -7.854 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.095 -8.752 -9.711 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.623 -10.152 -8.798 1.00 0.00 H new ATOM 0 HG CYS A 84 2.666 -7.134 -7.428 1.00 0.00 H new