USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 468 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 22 THR OG1 : rot 180:sc= -0.112 USER MOD Set 1.2: A 25 MET CE :methyl 173:sc= -0.0576 (180deg=0) USER MOD Single : A 8 SER OG : rot -91:sc= 1.25 USER MOD Single : A 12 LYS NZ :NH3+ 166:sc= 0.834 (180deg=0.684) USER MOD Single : A 14 LYS NZ :NH3+ -178:sc= 1.08 (180deg=1.08) USER MOD Single : A 19 THR OG1 : rot 88:sc= 1.21 USER MOD Single : A 23 MET CE :methyl 169:sc= 0 (180deg=-0.133) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0357 USER MOD Single : A 29 LYS NZ :NH3+ -135:sc= -0.147 (180deg=-1.35!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 156:sc= 0.567 (180deg=-0.0427) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.496 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0139 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -13.596 -4.231 -1.386 1.00 0.00 N ATOM 60 CA GLY A 7 -13.026 -2.925 -1.663 1.00 0.00 C ATOM 61 C GLY A 7 -11.533 -2.967 -1.923 1.00 0.00 C ATOM 62 O GLY A 7 -10.894 -4.015 -1.796 1.00 0.00 O ATOM 0 HA2 GLY A 7 -13.527 -2.494 -2.530 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.223 -2.264 -0.819 1.00 0.00 H new ATOM 66 N SER A 8 -10.987 -1.795 -2.229 1.00 0.00 N ATOM 67 CA SER A 8 -9.596 -1.533 -2.569 1.00 0.00 C ATOM 68 C SER A 8 -8.961 -0.502 -1.632 1.00 0.00 C ATOM 69 O SER A 8 -9.583 0.523 -1.342 1.00 0.00 O ATOM 70 CB SER A 8 -9.592 -1.038 -4.026 1.00 0.00 C ATOM 71 OG SER A 8 -10.824 -0.471 -4.459 1.00 0.00 O ATOM 0 H SER A 8 -11.547 -0.943 -2.247 1.00 0.00 H new ATOM 0 HA SER A 8 -8.999 -2.438 -2.457 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.803 -0.294 -4.142 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.341 -1.873 -4.680 1.00 0.00 H new ATOM 0 HG SER A 8 -11.383 -1.170 -4.859 1.00 0.00 H new ATOM 77 N VAL A 9 -7.747 -0.747 -1.132 1.00 0.00 N ATOM 78 CA VAL A 9 -7.051 0.184 -0.249 1.00 0.00 C ATOM 79 C VAL A 9 -6.688 1.434 -1.059 1.00 0.00 C ATOM 80 O VAL A 9 -6.108 1.336 -2.147 1.00 0.00 O ATOM 81 CB VAL A 9 -5.800 -0.457 0.389 1.00 0.00 C ATOM 82 CG1 VAL A 9 -5.114 0.541 1.335 1.00 0.00 C ATOM 83 CG2 VAL A 9 -6.139 -1.716 1.204 1.00 0.00 C ATOM 0 H VAL A 9 -7.221 -1.598 -1.330 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.706 0.457 0.578 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.142 -0.734 -0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.233 0.076 1.778 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.814 1.426 0.774 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.808 0.830 2.125 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.226 -2.129 1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.830 -1.455 2.006 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.602 -2.457 0.553 1.00 0.00 H new ATOM 93 N VAL A 10 -7.026 2.609 -0.538 1.00 0.00 N ATOM 94 CA VAL A 10 -6.732 3.876 -1.179 1.00 0.00 C ATOM 95 C VAL A 10 -6.133 4.826 -0.144 1.00 0.00 C ATOM 96 O VAL A 10 -6.370 4.695 1.065 1.00 0.00 O ATOM 97 CB VAL A 10 -7.972 4.470 -1.894 1.00 0.00 C ATOM 98 CG1 VAL A 10 -8.556 3.545 -2.970 1.00 0.00 C ATOM 99 CG2 VAL A 10 -9.097 4.863 -0.936 1.00 0.00 C ATOM 0 H VAL A 10 -7.517 2.704 0.351 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.999 3.718 -1.970 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.582 5.369 -2.371 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.421 4.023 -3.430 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.801 3.351 -3.732 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -8.861 2.603 -2.514 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.933 5.271 -1.504 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.429 3.984 -0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.733 5.615 -0.236 1.00 0.00 H new ATOM 109 N ALA A 11 -5.297 5.746 -0.613 1.00 0.00 N ATOM 110 CA ALA A 11 -4.672 6.741 0.238 1.00 0.00 C ATOM 111 C ALA A 11 -5.770 7.707 0.674 1.00 0.00 C ATOM 112 O ALA A 11 -6.545 8.195 -0.143 1.00 0.00 O ATOM 113 CB ALA A 11 -3.558 7.458 -0.514 1.00 0.00 C ATOM 0 H ALA A 11 -5.036 5.819 -1.596 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.211 6.281 1.112 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.099 8.201 0.138 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.805 6.734 -0.826 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.972 7.952 -1.393 1.00 0.00 H new ATOM 119 N LYS A 12 -5.890 7.952 1.973 1.00 0.00 N ATOM 120 CA LYS A 12 -6.906 8.855 2.506 1.00 0.00 C ATOM 121 C LYS A 12 -6.577 10.314 2.206 1.00 0.00 C ATOM 122 O LYS A 12 -7.484 11.135 2.122 1.00 0.00 O ATOM 123 CB LYS A 12 -7.041 8.622 4.012 1.00 0.00 C ATOM 124 CG LYS A 12 -8.214 9.411 4.600 1.00 0.00 C ATOM 125 CD LYS A 12 -8.588 8.886 5.984 1.00 0.00 C ATOM 126 CE LYS A 12 -9.706 7.857 5.859 1.00 0.00 C ATOM 127 NZ LYS A 12 -9.633 6.834 6.924 1.00 0.00 N ATOM 0 H LYS A 12 -5.290 7.534 2.684 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.857 8.641 2.018 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.183 7.559 4.205 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.117 8.916 4.511 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.950 10.466 4.667 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.075 9.339 3.935 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.717 8.435 6.460 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.909 9.710 6.622 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.671 8.362 5.905 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.646 7.372 4.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.525 6.300 6.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.846 6.183 6.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.477 7.298 7.841 1.00 0.00 H new ATOM 141 N VAL A 13 -5.299 10.640 2.074 1.00 0.00 N ATOM 142 CA VAL A 13 -4.786 11.972 1.794 1.00 0.00 C ATOM 143 C VAL A 13 -3.672 11.816 0.761 1.00 0.00 C ATOM 144 O VAL A 13 -3.272 10.691 0.469 1.00 0.00 O ATOM 145 CB VAL A 13 -4.294 12.621 3.106 1.00 0.00 C ATOM 146 CG1 VAL A 13 -5.456 12.851 4.087 1.00 0.00 C ATOM 147 CG2 VAL A 13 -3.211 11.796 3.828 1.00 0.00 C ATOM 0 H VAL A 13 -4.556 9.948 2.164 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.554 12.632 1.390 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.856 13.572 2.803 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.076 13.309 5.000 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.193 13.511 3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.924 11.896 4.327 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.911 12.310 4.741 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.609 10.813 4.079 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.346 11.681 3.175 1.00 0.00 H new ATOM 157 N LYS A 14 -3.172 12.908 0.181 1.00 0.00 N ATOM 158 CA LYS A 14 -2.094 12.813 -0.794 1.00 0.00 C ATOM 159 C LYS A 14 -0.813 12.447 -0.045 1.00 0.00 C ATOM 160 O LYS A 14 -0.365 13.233 0.796 1.00 0.00 O ATOM 161 CB LYS A 14 -2.008 14.111 -1.607 1.00 0.00 C ATOM 162 CG LYS A 14 -0.916 14.057 -2.688 1.00 0.00 C ATOM 163 CD LYS A 14 -1.286 14.955 -3.872 1.00 0.00 C ATOM 164 CE LYS A 14 -0.301 14.776 -5.034 1.00 0.00 C ATOM 165 NZ LYS A 14 -0.729 15.542 -6.220 1.00 0.00 N ATOM 0 H LYS A 14 -3.494 13.857 0.369 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.274 12.028 -1.529 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.972 14.306 -2.078 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.808 14.945 -0.934 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.037 14.376 -2.266 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.785 13.030 -3.030 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.296 14.720 -4.208 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.291 15.997 -3.553 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.692 15.103 -4.726 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.224 13.719 -5.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.062 15.375 -7.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.681 15.236 -6.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.746 16.556 -5.991 1.00 0.00 H new ATOM 179 N ILE A 15 -0.245 11.269 -0.295 1.00 0.00 N ATOM 180 CA ILE A 15 0.971 10.789 0.351 1.00 0.00 C ATOM 181 C ILE A 15 2.135 11.019 -0.621 1.00 0.00 C ATOM 182 O ILE A 15 2.223 10.309 -1.627 1.00 0.00 O ATOM 183 CB ILE A 15 0.824 9.306 0.770 1.00 0.00 C ATOM 184 CG1 ILE A 15 -0.431 9.131 1.652 1.00 0.00 C ATOM 185 CG2 ILE A 15 2.086 8.830 1.521 1.00 0.00 C ATOM 186 CD1 ILE A 15 -0.682 7.702 2.121 1.00 0.00 C ATOM 0 H ILE A 15 -0.629 10.607 -0.969 1.00 0.00 H new ATOM 0 HA ILE A 15 1.165 11.337 1.273 1.00 0.00 H new ATOM 0 HB ILE A 15 0.711 8.696 -0.126 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.338 9.775 2.526 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.302 9.475 1.094 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.966 7.785 1.808 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.955 8.930 0.871 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.229 9.438 2.414 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.583 7.673 2.734 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.811 7.052 1.255 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.168 7.358 2.710 1.00 0.00 H new ATOM 198 N PRO A 16 3.019 12.005 -0.372 1.00 0.00 N ATOM 199 CA PRO A 16 4.147 12.255 -1.252 1.00 0.00 C ATOM 200 C PRO A 16 5.130 11.089 -1.214 1.00 0.00 C ATOM 201 O PRO A 16 5.309 10.427 -0.186 1.00 0.00 O ATOM 202 CB PRO A 16 4.762 13.578 -0.805 1.00 0.00 C ATOM 203 CG PRO A 16 4.348 13.710 0.654 1.00 0.00 C ATOM 204 CD PRO A 16 3.040 12.923 0.758 1.00 0.00 C ATOM 0 HA PRO A 16 3.841 12.333 -2.295 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.847 13.569 -0.912 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.390 14.411 -1.401 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.109 13.303 1.320 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.205 14.754 0.932 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.989 12.379 1.701 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.181 13.593 0.730 1.00 0.00 H new ATOM 212 N GLU A 17 5.787 10.875 -2.349 1.00 0.00 N ATOM 213 CA GLU A 17 6.784 9.842 -2.582 1.00 0.00 C ATOM 214 C GLU A 17 7.817 9.834 -1.453 1.00 0.00 C ATOM 215 O GLU A 17 8.206 10.893 -0.960 1.00 0.00 O ATOM 216 CB GLU A 17 7.436 10.145 -3.930 1.00 0.00 C ATOM 217 CG GLU A 17 8.701 9.345 -4.242 1.00 0.00 C ATOM 218 CD GLU A 17 9.420 9.854 -5.488 1.00 0.00 C ATOM 219 OE1 GLU A 17 8.853 10.678 -6.245 1.00 0.00 O ATOM 220 OE2 GLU A 17 10.612 9.499 -5.643 1.00 0.00 O ATOM 0 H GLU A 17 5.628 11.451 -3.176 1.00 0.00 H new ATOM 0 HA GLU A 17 6.328 8.852 -2.599 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.706 9.959 -4.717 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.680 11.207 -3.966 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.378 9.395 -3.389 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.439 8.296 -4.380 1.00 0.00 H new ATOM 227 N GLY A 18 8.276 8.650 -1.049 1.00 0.00 N ATOM 228 CA GLY A 18 9.262 8.514 0.007 1.00 0.00 C ATOM 229 C GLY A 18 8.675 8.616 1.415 1.00 0.00 C ATOM 230 O GLY A 18 9.445 8.530 2.369 1.00 0.00 O ATOM 0 H GLY A 18 7.971 7.762 -1.448 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.764 7.552 -0.099 1.00 0.00 H new ATOM 0 HA3 GLY A 18 10.022 9.285 -0.117 1.00 0.00 H new ATOM 234 N THR A 19 7.362 8.804 1.588 1.00 0.00 N ATOM 235 CA THR A 19 6.760 8.904 2.921 1.00 0.00 C ATOM 236 C THR A 19 6.334 7.501 3.349 1.00 0.00 C ATOM 237 O THR A 19 6.084 6.663 2.480 1.00 0.00 O ATOM 238 CB THR A 19 5.581 9.893 2.887 1.00 0.00 C ATOM 239 OG1 THR A 19 6.017 11.120 2.333 1.00 0.00 O ATOM 240 CG2 THR A 19 4.968 10.189 4.258 1.00 0.00 C ATOM 0 H THR A 19 6.696 8.890 0.820 1.00 0.00 H new ATOM 0 HA THR A 19 7.471 9.290 3.651 1.00 0.00 H new ATOM 0 HB THR A 19 4.809 9.414 2.284 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.919 11.092 1.358 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.145 10.894 4.144 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.595 9.264 4.697 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.727 10.620 4.910 1.00 0.00 H new ATOM 248 N ILE A 20 6.234 7.212 4.648 1.00 0.00 N ATOM 249 CA ILE A 20 5.816 5.908 5.152 1.00 0.00 C ATOM 250 C ILE A 20 4.289 5.893 5.300 1.00 0.00 C ATOM 251 O ILE A 20 3.676 6.914 5.621 1.00 0.00 O ATOM 252 CB ILE A 20 6.547 5.600 6.476 1.00 0.00 C ATOM 253 CG1 ILE A 20 8.073 5.540 6.266 1.00 0.00 C ATOM 254 CG2 ILE A 20 6.057 4.303 7.137 1.00 0.00 C ATOM 255 CD1 ILE A 20 8.583 4.340 5.453 1.00 0.00 C ATOM 0 H ILE A 20 6.444 7.885 5.385 1.00 0.00 H new ATOM 0 HA ILE A 20 6.087 5.119 4.450 1.00 0.00 H new ATOM 0 HB ILE A 20 6.310 6.421 7.153 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.390 6.456 5.767 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.556 5.526 7.243 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.606 4.137 8.064 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.992 4.386 7.356 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.224 3.464 6.461 1.00 0.00 H new ATOM 0 HD11 ILE A 20 9.668 4.395 5.365 1.00 0.00 H new ATOM 0 HD12 ILE A 20 8.306 3.414 5.958 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.137 4.358 4.459 1.00 0.00 H new ATOM 267 N LEU A 21 3.672 4.733 5.059 1.00 0.00 N ATOM 268 CA LEU A 21 2.230 4.558 5.167 1.00 0.00 C ATOM 269 C LEU A 21 1.842 4.367 6.624 1.00 0.00 C ATOM 270 O LEU A 21 2.469 3.577 7.338 1.00 0.00 O ATOM 271 CB LEU A 21 1.749 3.315 4.392 1.00 0.00 C ATOM 272 CG LEU A 21 1.491 3.506 2.889 1.00 0.00 C ATOM 273 CD1 LEU A 21 0.999 2.206 2.271 1.00 0.00 C ATOM 274 CD2 LEU A 21 0.521 4.647 2.603 1.00 0.00 C ATOM 0 H LEU A 21 4.167 3.886 4.782 1.00 0.00 H new ATOM 0 HA LEU A 21 1.765 5.450 4.747 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.492 2.527 4.514 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.828 2.959 4.854 1.00 0.00 H new ATOM 0 HG LEU A 21 2.440 3.782 2.429 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.820 2.354 1.206 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.752 1.430 2.408 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.072 1.901 2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.374 4.738 1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.435 4.441 3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.930 5.579 2.994 1.00 0.00 H new ATOM 286 N THR A 22 0.756 5.012 7.035 1.00 0.00 N ATOM 287 CA THR A 22 0.191 4.966 8.375 1.00 0.00 C ATOM 288 C THR A 22 -1.308 4.692 8.229 1.00 0.00 C ATOM 289 O THR A 22 -1.889 4.979 7.177 1.00 0.00 O ATOM 290 CB THR A 22 0.467 6.298 9.101 1.00 0.00 C ATOM 291 OG1 THR A 22 0.066 7.386 8.299 1.00 0.00 O ATOM 292 CG2 THR A 22 1.950 6.474 9.425 1.00 0.00 C ATOM 0 H THR A 22 0.219 5.612 6.408 1.00 0.00 H new ATOM 0 HA THR A 22 0.644 4.177 8.975 1.00 0.00 H new ATOM 0 HB THR A 22 -0.102 6.272 10.030 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.245 8.225 8.773 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.100 7.425 9.936 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.281 5.660 10.069 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.528 6.463 8.501 1.00 0.00 H new ATOM 300 N MET A 23 -1.940 4.113 9.253 1.00 0.00 N ATOM 301 CA MET A 23 -3.378 3.828 9.231 1.00 0.00 C ATOM 302 C MET A 23 -4.149 5.149 9.074 1.00 0.00 C ATOM 303 O MET A 23 -5.170 5.223 8.388 1.00 0.00 O ATOM 304 CB MET A 23 -3.781 3.134 10.540 1.00 0.00 C ATOM 305 CG MET A 23 -3.474 1.638 10.500 1.00 0.00 C ATOM 306 SD MET A 23 -4.689 0.739 9.506 1.00 0.00 S ATOM 307 CE MET A 23 -4.081 -0.962 9.582 1.00 0.00 C ATOM 0 H MET A 23 -1.474 3.830 10.115 1.00 0.00 H new ATOM 0 HA MET A 23 -3.615 3.171 8.394 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.250 3.593 11.374 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.846 3.283 10.719 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.477 1.481 10.088 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.466 1.240 11.515 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.837 -1.637 9.180 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.168 -1.049 8.993 1.00 0.00 H new ATOM 0 HE3 MET A 23 -3.871 -1.227 10.618 1.00 0.00 H new ATOM 317 N ASP A 24 -3.609 6.204 9.694 1.00 0.00 N ATOM 318 CA ASP A 24 -4.094 7.583 9.711 1.00 0.00 C ATOM 319 C ASP A 24 -4.146 8.220 8.313 1.00 0.00 C ATOM 320 O ASP A 24 -4.872 9.193 8.117 1.00 0.00 O ATOM 321 CB ASP A 24 -3.145 8.368 10.629 1.00 0.00 C ATOM 322 CG ASP A 24 -3.267 9.883 10.529 1.00 0.00 C ATOM 323 OD1 ASP A 24 -4.258 10.427 11.072 1.00 0.00 O ATOM 324 OD2 ASP A 24 -2.321 10.496 9.980 1.00 0.00 O ATOM 0 H ASP A 24 -2.753 6.104 10.240 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.122 7.603 10.074 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.331 8.070 11.661 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.119 8.084 10.395 1.00 0.00 H new ATOM 329 N MET A 25 -3.429 7.682 7.324 1.00 0.00 N ATOM 330 CA MET A 25 -3.408 8.201 5.953 1.00 0.00 C ATOM 331 C MET A 25 -3.997 7.185 4.974 1.00 0.00 C ATOM 332 O MET A 25 -3.818 7.320 3.766 1.00 0.00 O ATOM 333 CB MET A 25 -1.982 8.612 5.553 1.00 0.00 C ATOM 334 CG MET A 25 -1.448 9.716 6.466 1.00 0.00 C ATOM 335 SD MET A 25 0.062 10.546 5.882 1.00 0.00 S ATOM 336 CE MET A 25 1.238 9.176 5.718 1.00 0.00 C ATOM 0 H MET A 25 -2.838 6.861 7.454 1.00 0.00 H new ATOM 0 HA MET A 25 -4.035 9.092 5.912 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.323 7.745 5.603 1.00 0.00 H new ATOM 0 HB3 MET A 25 -1.977 8.957 4.519 1.00 0.00 H new ATOM 0 HG2 MET A 25 -2.228 10.466 6.596 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.251 9.288 7.449 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.155 9.537 5.252 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.467 8.773 6.705 1.00 0.00 H new ATOM 0 HE3 MET A 25 0.800 8.393 5.099 1.00 0.00 H new ATOM 346 N LEU A 26 -4.725 6.178 5.458 1.00 0.00 N ATOM 347 CA LEU A 26 -5.323 5.136 4.623 1.00 0.00 C ATOM 348 C LEU A 26 -6.808 4.922 4.898 1.00 0.00 C ATOM 349 O LEU A 26 -7.385 5.471 5.844 1.00 0.00 O ATOM 350 CB LEU A 26 -4.557 3.827 4.862 1.00 0.00 C ATOM 351 CG LEU A 26 -3.143 3.773 4.268 1.00 0.00 C ATOM 352 CD1 LEU A 26 -2.519 2.437 4.680 1.00 0.00 C ATOM 353 CD2 LEU A 26 -3.157 3.906 2.740 1.00 0.00 C ATOM 0 H LEU A 26 -4.918 6.062 6.453 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.247 5.458 3.584 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.488 3.657 5.937 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.139 3.004 4.446 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.559 4.611 4.648 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.510 2.366 4.273 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.477 2.375 5.767 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.125 1.618 4.293 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.136 3.863 2.362 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.739 3.091 2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.607 4.859 2.462 1.00 0.00 H new ATOM 365 N THR A 27 -7.419 4.126 4.021 1.00 0.00 N ATOM 366 CA THR A 27 -8.808 3.715 3.996 1.00 0.00 C ATOM 367 C THR A 27 -8.945 2.641 2.906 1.00 0.00 C ATOM 368 O THR A 27 -7.993 2.356 2.179 1.00 0.00 O ATOM 369 CB THR A 27 -9.704 4.955 3.778 1.00 0.00 C ATOM 370 OG1 THR A 27 -11.068 4.623 3.619 1.00 0.00 O ATOM 371 CG2 THR A 27 -9.301 5.835 2.597 1.00 0.00 C ATOM 0 H THR A 27 -6.900 3.720 3.242 1.00 0.00 H new ATOM 0 HA THR A 27 -9.136 3.277 4.939 1.00 0.00 H new ATOM 0 HB THR A 27 -9.554 5.523 4.696 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.591 5.441 3.486 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.986 6.680 2.522 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.286 6.203 2.747 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.343 5.251 1.677 1.00 0.00 H new ATOM 379 N VAL A 28 -10.116 2.017 2.798 1.00 0.00 N ATOM 380 CA VAL A 28 -10.431 0.999 1.808 1.00 0.00 C ATOM 381 C VAL A 28 -11.748 1.428 1.173 1.00 0.00 C ATOM 382 O VAL A 28 -12.786 1.525 1.844 1.00 0.00 O ATOM 383 CB VAL A 28 -10.353 -0.444 2.361 1.00 0.00 C ATOM 384 CG1 VAL A 28 -10.769 -0.590 3.829 1.00 0.00 C ATOM 385 CG2 VAL A 28 -11.165 -1.436 1.514 1.00 0.00 C ATOM 0 H VAL A 28 -10.898 2.216 3.422 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.677 0.937 1.024 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.291 -0.683 2.300 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.683 -1.634 4.130 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -10.119 0.022 4.454 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -11.802 -0.262 3.949 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.079 -2.435 1.942 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -12.212 -1.134 1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.780 -1.444 0.494 1.00 0.00 H new ATOM 395 N LYS A 29 -11.669 1.831 -0.093 1.00 0.00 N ATOM 396 CA LYS A 29 -12.786 2.274 -0.898 1.00 0.00 C ATOM 397 C LYS A 29 -13.650 1.062 -1.185 1.00 0.00 C ATOM 398 O LYS A 29 -13.202 0.120 -1.838 1.00 0.00 O ATOM 399 CB LYS A 29 -12.273 2.920 -2.197 1.00 0.00 C ATOM 400 CG LYS A 29 -13.439 3.294 -3.127 1.00 0.00 C ATOM 401 CD LYS A 29 -13.128 4.493 -4.026 1.00 0.00 C ATOM 402 CE LYS A 29 -11.986 4.248 -5.017 1.00 0.00 C ATOM 403 NZ LYS A 29 -11.409 5.519 -5.486 1.00 0.00 N ATOM 0 H LYS A 29 -10.784 1.856 -0.600 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.374 3.027 -0.374 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.693 3.812 -1.959 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.602 2.231 -2.709 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.689 2.435 -3.750 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -14.319 3.518 -2.524 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.027 4.760 -4.582 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.875 5.348 -3.399 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.211 3.647 -4.542 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.356 3.677 -5.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.277 5.481 -6.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.052 6.301 -5.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.490 5.674 -5.025 1.00 0.00 H new ATOM 417 N VAL A 30 -14.859 1.038 -0.628 1.00 0.00 N ATOM 418 CA VAL A 30 -15.770 -0.065 -0.873 1.00 0.00 C ATOM 419 C VAL A 30 -16.138 0.034 -2.357 1.00 0.00 C ATOM 420 O VAL A 30 -16.467 1.124 -2.845 1.00 0.00 O ATOM 421 CB VAL A 30 -16.950 -0.021 0.116 1.00 0.00 C ATOM 422 CG1 VAL A 30 -17.801 1.259 0.073 1.00 0.00 C ATOM 423 CG2 VAL A 30 -17.839 -1.258 -0.049 1.00 0.00 C ATOM 0 H VAL A 30 -15.223 1.764 -0.011 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.334 -1.047 -0.691 1.00 0.00 H new ATOM 0 HB VAL A 30 -16.484 -0.017 1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -18.603 1.187 0.807 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -17.174 2.121 0.303 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -18.229 1.378 -0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -18.667 -1.208 0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -18.232 -1.291 -1.065 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -17.252 -2.156 0.142 1.00 0.00 H new ATOM 433 N GLY A 31 -16.047 -1.073 -3.084 1.00 0.00 N ATOM 434 CA GLY A 31 -16.339 -1.148 -4.498 1.00 0.00 C ATOM 435 C GLY A 31 -15.811 -2.465 -5.034 1.00 0.00 C ATOM 436 O GLY A 31 -16.530 -3.463 -5.006 1.00 0.00 O ATOM 0 H GLY A 31 -15.758 -1.967 -2.687 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -17.413 -1.075 -4.666 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -15.876 -0.313 -5.024 1.00 0.00 H new ATOM 440 N GLU A 32 -14.555 -2.489 -5.479 1.00 0.00 N ATOM 441 CA GLU A 32 -13.919 -3.679 -6.032 1.00 0.00 C ATOM 442 C GLU A 32 -12.505 -3.860 -5.451 1.00 0.00 C ATOM 443 O GLU A 32 -11.907 -2.864 -5.034 1.00 0.00 O ATOM 444 CB GLU A 32 -13.929 -3.577 -7.571 1.00 0.00 C ATOM 445 CG GLU A 32 -13.040 -2.448 -8.127 1.00 0.00 C ATOM 446 CD GLU A 32 -12.867 -2.520 -9.647 1.00 0.00 C ATOM 447 OE1 GLU A 32 -12.653 -3.626 -10.199 1.00 0.00 O ATOM 448 OE2 GLU A 32 -12.831 -1.449 -10.292 1.00 0.00 O ATOM 0 H GLU A 32 -13.945 -1.671 -5.464 1.00 0.00 H new ATOM 0 HA GLU A 32 -14.475 -4.573 -5.750 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.598 -4.527 -7.991 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.953 -3.419 -7.908 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.476 -1.485 -7.861 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.060 -2.497 -7.652 1.00 0.00 H new ATOM 455 N PRO A 33 -11.930 -5.078 -5.479 1.00 0.00 N ATOM 456 CA PRO A 33 -10.600 -5.422 -4.953 1.00 0.00 C ATOM 457 C PRO A 33 -9.394 -4.921 -5.776 1.00 0.00 C ATOM 458 O PRO A 33 -8.352 -5.582 -5.839 1.00 0.00 O ATOM 459 CB PRO A 33 -10.629 -6.950 -4.821 1.00 0.00 C ATOM 460 CG PRO A 33 -11.517 -7.382 -5.962 1.00 0.00 C ATOM 461 CD PRO A 33 -12.583 -6.296 -5.949 1.00 0.00 C ATOM 0 HA PRO A 33 -10.433 -4.907 -4.007 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.631 -7.380 -4.904 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -11.032 -7.263 -3.858 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -10.979 -7.417 -6.909 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.940 -8.373 -5.799 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -13.002 -6.152 -6.945 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -13.409 -6.571 -5.293 1.00 0.00 H new ATOM 469 N LYS A 34 -9.514 -3.776 -6.446 1.00 0.00 N ATOM 470 CA LYS A 34 -8.441 -3.202 -7.253 1.00 0.00 C ATOM 471 C LYS A 34 -7.210 -2.902 -6.394 1.00 0.00 C ATOM 472 O LYS A 34 -7.335 -2.372 -5.297 1.00 0.00 O ATOM 473 CB LYS A 34 -8.971 -1.934 -7.939 1.00 0.00 C ATOM 474 CG LYS A 34 -8.024 -1.399 -9.025 1.00 0.00 C ATOM 475 CD LYS A 34 -8.573 -0.152 -9.736 1.00 0.00 C ATOM 476 CE LYS A 34 -9.869 -0.469 -10.496 1.00 0.00 C ATOM 477 NZ LYS A 34 -10.371 0.685 -11.266 1.00 0.00 N ATOM 0 H LYS A 34 -10.367 -3.216 -6.443 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.127 -3.918 -8.013 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.942 -2.148 -8.385 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.128 -1.160 -7.188 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.061 -1.160 -8.574 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.845 -2.182 -9.762 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.761 0.634 -9.004 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.826 0.232 -10.431 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.694 -1.305 -11.173 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.633 -0.788 -9.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.247 0.418 -11.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.565 1.476 -10.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.655 0.975 -11.963 1.00 0.00 H new ATOM 491 N GLY A 35 -6.023 -3.182 -6.909 1.00 0.00 N ATOM 492 CA GLY A 35 -4.765 -2.928 -6.236 1.00 0.00 C ATOM 493 C GLY A 35 -4.454 -3.833 -5.050 1.00 0.00 C ATOM 494 O GLY A 35 -3.593 -4.706 -5.185 1.00 0.00 O ATOM 0 H GLY A 35 -5.908 -3.603 -7.831 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.959 -3.024 -6.964 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.761 -1.894 -5.891 1.00 0.00 H new ATOM 498 N TYR A 36 -5.127 -3.676 -3.905 1.00 0.00 N ATOM 499 CA TYR A 36 -4.824 -4.461 -2.711 1.00 0.00 C ATOM 500 C TYR A 36 -6.024 -4.696 -1.768 1.00 0.00 C ATOM 501 O TYR A 36 -6.840 -3.778 -1.606 1.00 0.00 O ATOM 502 CB TYR A 36 -3.755 -3.639 -1.979 1.00 0.00 C ATOM 503 CG TYR A 36 -2.694 -4.457 -1.302 1.00 0.00 C ATOM 504 CD1 TYR A 36 -1.513 -4.787 -1.995 1.00 0.00 C ATOM 505 CD2 TYR A 36 -2.839 -4.770 0.055 1.00 0.00 C ATOM 506 CE1 TYR A 36 -0.462 -5.435 -1.322 1.00 0.00 C ATOM 507 CE2 TYR A 36 -1.782 -5.380 0.734 1.00 0.00 C ATOM 508 CZ TYR A 36 -0.595 -5.722 0.055 1.00 0.00 C ATOM 509 OH TYR A 36 0.436 -6.258 0.760 1.00 0.00 O ATOM 0 H TYR A 36 -5.888 -3.008 -3.783 1.00 0.00 H new ATOM 0 HA TYR A 36 -4.511 -5.463 -3.005 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -3.278 -2.969 -2.694 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -4.244 -3.013 -1.233 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.415 -4.543 -3.042 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.760 -4.542 0.572 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.438 -5.710 -1.852 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.875 -5.592 1.789 1.00 0.00 H new ATOM 0 HH TYR A 36 0.163 -6.386 1.692 1.00 0.00 H new ATOM 519 N PRO A 37 -6.096 -5.846 -1.056 1.00 0.00 N ATOM 520 CA PRO A 37 -7.194 -6.183 -0.141 1.00 0.00 C ATOM 521 C PRO A 37 -7.045 -5.594 1.273 1.00 0.00 C ATOM 522 O PRO A 37 -5.935 -5.249 1.691 1.00 0.00 O ATOM 523 CB PRO A 37 -7.162 -7.713 -0.053 1.00 0.00 C ATOM 524 CG PRO A 37 -5.676 -8.026 -0.163 1.00 0.00 C ATOM 525 CD PRO A 37 -5.197 -6.990 -1.179 1.00 0.00 C ATOM 0 HA PRO A 37 -8.127 -5.767 -0.522 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.583 -8.073 0.886 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.734 -8.176 -0.857 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.167 -7.921 0.795 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.500 -9.045 -0.508 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.166 -6.697 -0.979 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.222 -7.397 -2.190 1.00 0.00 H new ATOM 533 N PRO A 38 -8.134 -5.554 2.069 1.00 0.00 N ATOM 534 CA PRO A 38 -8.091 -5.029 3.431 1.00 0.00 C ATOM 535 C PRO A 38 -7.517 -6.053 4.421 1.00 0.00 C ATOM 536 O PRO A 38 -7.242 -5.720 5.571 1.00 0.00 O ATOM 537 CB PRO A 38 -9.542 -4.681 3.764 1.00 0.00 C ATOM 538 CG PRO A 38 -10.348 -5.711 2.974 1.00 0.00 C ATOM 539 CD PRO A 38 -9.502 -5.938 1.718 1.00 0.00 C ATOM 0 HA PRO A 38 -7.435 -4.162 3.507 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -9.737 -4.754 4.834 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -9.789 -3.663 3.464 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.484 -6.633 3.539 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.342 -5.339 2.727 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.545 -6.981 1.404 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.873 -5.339 0.886 1.00 0.00 H new ATOM 547 N GLU A 39 -7.338 -7.307 4.002 1.00 0.00 N ATOM 548 CA GLU A 39 -6.801 -8.373 4.839 1.00 0.00 C ATOM 549 C GLU A 39 -5.279 -8.239 4.988 1.00 0.00 C ATOM 550 O GLU A 39 -4.709 -8.781 5.931 1.00 0.00 O ATOM 551 CB GLU A 39 -7.156 -9.714 4.178 1.00 0.00 C ATOM 552 CG GLU A 39 -7.055 -10.922 5.123 1.00 0.00 C ATOM 553 CD GLU A 39 -8.151 -10.890 6.190 1.00 0.00 C ATOM 554 OE1 GLU A 39 -9.336 -11.070 5.828 1.00 0.00 O ATOM 555 OE2 GLU A 39 -7.859 -10.682 7.389 1.00 0.00 O ATOM 0 H GLU A 39 -7.567 -7.612 3.056 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.233 -8.313 5.838 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.171 -9.657 3.785 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.494 -9.875 3.327 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.133 -11.844 4.547 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.077 -10.929 5.604 1.00 0.00 H new ATOM 562 N ASP A 40 -4.613 -7.507 4.085 1.00 0.00 N ATOM 563 CA ASP A 40 -3.159 -7.315 4.095 1.00 0.00 C ATOM 564 C ASP A 40 -2.760 -5.857 4.286 1.00 0.00 C ATOM 565 O ASP A 40 -1.577 -5.532 4.172 1.00 0.00 O ATOM 566 CB ASP A 40 -2.515 -7.920 2.831 1.00 0.00 C ATOM 567 CG ASP A 40 -2.353 -9.428 2.903 1.00 0.00 C ATOM 568 OD1 ASP A 40 -1.844 -9.915 3.938 1.00 0.00 O ATOM 569 OD2 ASP A 40 -2.724 -10.103 1.919 1.00 0.00 O ATOM 0 H ASP A 40 -5.078 -7.025 3.316 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.773 -7.851 4.962 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.126 -7.668 1.964 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.538 -7.463 2.676 1.00 0.00 H new ATOM 574 N ILE A 41 -3.707 -4.972 4.595 1.00 0.00 N ATOM 575 CA ILE A 41 -3.459 -3.544 4.798 1.00 0.00 C ATOM 576 C ILE A 41 -2.314 -3.305 5.800 1.00 0.00 C ATOM 577 O ILE A 41 -1.485 -2.419 5.602 1.00 0.00 O ATOM 578 CB ILE A 41 -4.791 -2.852 5.161 1.00 0.00 C ATOM 579 CG1 ILE A 41 -4.661 -1.320 5.051 1.00 0.00 C ATOM 580 CG2 ILE A 41 -5.325 -3.280 6.540 1.00 0.00 C ATOM 581 CD1 ILE A 41 -6.026 -0.622 5.016 1.00 0.00 C ATOM 0 H ILE A 41 -4.686 -5.232 4.714 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.103 -3.084 3.876 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.532 -3.183 4.433 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.085 -0.945 5.897 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.103 -1.069 4.149 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.263 -2.763 6.744 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.495 -4.357 6.546 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.595 -3.024 7.308 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.882 0.456 4.938 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.593 -0.975 4.155 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.575 -0.849 5.930 1.00 0.00 H new ATOM 593 N PHE A 42 -2.203 -4.157 6.821 1.00 0.00 N ATOM 594 CA PHE A 42 -1.179 -4.097 7.862 1.00 0.00 C ATOM 595 C PHE A 42 0.226 -4.261 7.284 1.00 0.00 C ATOM 596 O PHE A 42 1.191 -3.785 7.876 1.00 0.00 O ATOM 597 CB PHE A 42 -1.438 -5.207 8.892 1.00 0.00 C ATOM 598 CG PHE A 42 -2.911 -5.426 9.161 1.00 0.00 C ATOM 599 CD1 PHE A 42 -3.633 -4.464 9.887 1.00 0.00 C ATOM 600 CD2 PHE A 42 -3.582 -6.502 8.548 1.00 0.00 C ATOM 601 CE1 PHE A 42 -5.026 -4.569 9.996 1.00 0.00 C ATOM 602 CE2 PHE A 42 -4.977 -6.600 8.650 1.00 0.00 C ATOM 603 CZ PHE A 42 -5.697 -5.635 9.377 1.00 0.00 C ATOM 0 H PHE A 42 -2.849 -4.936 6.949 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.236 -3.117 8.335 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.996 -6.137 8.535 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.937 -4.954 9.826 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.114 -3.644 10.361 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.024 -7.248 8.002 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.582 -3.831 10.555 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.498 -7.416 8.171 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.771 -5.715 9.459 1.00 0.00 H new ATOM 613 N ASN A 43 0.362 -4.972 6.158 1.00 0.00 N ATOM 614 CA ASN A 43 1.648 -5.183 5.505 1.00 0.00 C ATOM 615 C ASN A 43 2.035 -3.935 4.722 1.00 0.00 C ATOM 616 O ASN A 43 3.227 -3.692 4.539 1.00 0.00 O ATOM 617 CB ASN A 43 1.648 -6.408 4.576 1.00 0.00 C ATOM 618 CG ASN A 43 1.713 -7.719 5.349 1.00 0.00 C ATOM 619 OD1 ASN A 43 2.796 -8.230 5.635 1.00 0.00 O ATOM 620 ND2 ASN A 43 0.578 -8.284 5.723 1.00 0.00 N ATOM 0 H ASN A 43 -0.421 -5.415 5.678 1.00 0.00 H new ATOM 0 HA ASN A 43 2.381 -5.378 6.287 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.748 -6.395 3.961 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.498 -6.346 3.897 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.593 -9.154 6.255 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.312 -7.850 5.479 1.00 0.00 H new ATOM 627 N LEU A 44 1.059 -3.173 4.213 1.00 0.00 N ATOM 628 CA LEU A 44 1.326 -1.943 3.475 1.00 0.00 C ATOM 629 C LEU A 44 1.701 -0.865 4.486 1.00 0.00 C ATOM 630 O LEU A 44 2.549 -0.025 4.199 1.00 0.00 O ATOM 631 CB LEU A 44 0.109 -1.504 2.647 1.00 0.00 C ATOM 632 CG LEU A 44 -0.112 -2.325 1.367 1.00 0.00 C ATOM 633 CD1 LEU A 44 -1.459 -1.941 0.755 1.00 0.00 C ATOM 634 CD2 LEU A 44 0.984 -2.088 0.323 1.00 0.00 C ATOM 0 H LEU A 44 0.068 -3.395 4.303 1.00 0.00 H new ATOM 0 HA LEU A 44 2.141 -2.110 2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.784 -1.574 3.269 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.227 -0.455 2.376 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.087 -3.378 1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.624 -2.519 -0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.256 -2.151 1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.459 -0.878 0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.780 -2.691 -0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.002 -1.034 0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.951 -2.370 0.740 1.00 0.00 H new ATOM 646 N VAL A 45 1.060 -0.850 5.659 1.00 0.00 N ATOM 647 CA VAL A 45 1.372 0.115 6.704 1.00 0.00 C ATOM 648 C VAL A 45 2.823 -0.197 7.099 1.00 0.00 C ATOM 649 O VAL A 45 3.160 -1.329 7.453 1.00 0.00 O ATOM 650 CB VAL A 45 0.326 0.062 7.834 1.00 0.00 C ATOM 651 CG1 VAL A 45 0.758 0.918 9.025 1.00 0.00 C ATOM 652 CG2 VAL A 45 -1.005 0.632 7.326 1.00 0.00 C ATOM 0 H VAL A 45 0.316 -1.504 5.904 1.00 0.00 H new ATOM 0 HA VAL A 45 1.312 1.157 6.388 1.00 0.00 H new ATOM 0 HB VAL A 45 0.225 -0.979 8.142 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.001 0.862 9.807 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.708 0.550 9.412 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.874 1.954 8.706 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.745 0.595 8.125 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.862 1.666 7.012 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.355 0.041 6.480 1.00 0.00 H new ATOM 662 N GLY A 46 3.702 0.796 6.964 1.00 0.00 N ATOM 663 CA GLY A 46 5.125 0.673 7.251 1.00 0.00 C ATOM 664 C GLY A 46 5.957 0.659 5.962 1.00 0.00 C ATOM 665 O GLY A 46 7.184 0.695 6.047 1.00 0.00 O ATOM 0 H GLY A 46 3.435 1.727 6.645 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.443 1.503 7.882 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.307 -0.243 7.813 1.00 0.00 H new ATOM 669 N LYS A 47 5.341 0.557 4.773 1.00 0.00 N ATOM 670 CA LYS A 47 6.075 0.583 3.504 1.00 0.00 C ATOM 671 C LYS A 47 6.273 2.041 3.112 1.00 0.00 C ATOM 672 O LYS A 47 5.662 2.948 3.700 1.00 0.00 O ATOM 673 CB LYS A 47 5.346 -0.156 2.369 1.00 0.00 C ATOM 674 CG LYS A 47 5.410 -1.676 2.522 1.00 0.00 C ATOM 675 CD LYS A 47 5.230 -2.379 1.170 1.00 0.00 C ATOM 676 CE LYS A 47 5.518 -3.867 1.348 1.00 0.00 C ATOM 677 NZ LYS A 47 5.357 -4.653 0.108 1.00 0.00 N ATOM 0 H LYS A 47 4.332 0.455 4.668 1.00 0.00 H new ATOM 0 HA LYS A 47 7.024 0.067 3.650 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.303 0.160 2.346 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.786 0.128 1.413 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.368 -1.960 2.958 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.635 -2.007 3.213 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.215 -2.232 0.800 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.904 -1.950 0.429 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.536 -3.990 1.716 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.852 -4.269 2.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.568 -5.653 0.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.379 -4.565 -0.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.011 -4.295 -0.617 1.00 0.00 H new ATOM 691 N LYS A 48 7.107 2.281 2.108 1.00 0.00 N ATOM 692 CA LYS A 48 7.434 3.588 1.570 1.00 0.00 C ATOM 693 C LYS A 48 6.943 3.641 0.130 1.00 0.00 C ATOM 694 O LYS A 48 7.212 2.721 -0.639 1.00 0.00 O ATOM 695 CB LYS A 48 8.946 3.778 1.651 1.00 0.00 C ATOM 696 CG LYS A 48 9.290 5.263 1.753 1.00 0.00 C ATOM 697 CD LYS A 48 10.792 5.528 1.617 1.00 0.00 C ATOM 698 CE LYS A 48 11.665 4.647 2.526 1.00 0.00 C ATOM 699 NZ LYS A 48 12.047 3.364 1.890 1.00 0.00 N ATOM 0 H LYS A 48 7.597 1.528 1.625 1.00 0.00 H new ATOM 0 HA LYS A 48 6.956 4.389 2.134 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.340 3.246 2.517 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.421 3.348 0.769 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.756 5.810 0.976 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.942 5.648 2.711 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.087 5.367 0.580 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.988 6.576 1.846 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.567 5.195 2.797 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.126 4.442 3.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.919 3.005 2.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.283 2.671 2.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.208 3.515 0.874 1.00 0.00 H new ATOM 713 N VAL A 49 6.207 4.684 -0.242 1.00 0.00 N ATOM 714 CA VAL A 49 5.709 4.820 -1.601 1.00 0.00 C ATOM 715 C VAL A 49 6.873 5.191 -2.520 1.00 0.00 C ATOM 716 O VAL A 49 7.763 5.955 -2.127 1.00 0.00 O ATOM 717 CB VAL A 49 4.587 5.873 -1.681 1.00 0.00 C ATOM 718 CG1 VAL A 49 3.276 5.320 -1.134 1.00 0.00 C ATOM 719 CG2 VAL A 49 4.851 7.164 -0.903 1.00 0.00 C ATOM 0 H VAL A 49 5.944 5.447 0.382 1.00 0.00 H new ATOM 0 HA VAL A 49 5.280 3.871 -1.922 1.00 0.00 H new ATOM 0 HB VAL A 49 4.540 6.107 -2.744 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.502 6.084 -1.203 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.978 4.448 -1.716 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.410 5.032 -0.091 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.004 7.840 -1.022 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.984 6.931 0.154 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.753 7.641 -1.286 1.00 0.00 H new ATOM 729 N LEU A 50 6.850 4.671 -3.745 1.00 0.00 N ATOM 730 CA LEU A 50 7.871 4.916 -4.760 1.00 0.00 C ATOM 731 C LEU A 50 7.537 6.124 -5.630 1.00 0.00 C ATOM 732 O LEU A 50 8.410 6.611 -6.346 1.00 0.00 O ATOM 733 CB LEU A 50 8.044 3.660 -5.625 1.00 0.00 C ATOM 734 CG LEU A 50 8.579 2.448 -4.834 1.00 0.00 C ATOM 735 CD1 LEU A 50 8.852 1.295 -5.793 1.00 0.00 C ATOM 736 CD2 LEU A 50 9.867 2.722 -4.043 1.00 0.00 C ATOM 0 H LEU A 50 6.104 4.054 -4.066 1.00 0.00 H new ATOM 0 HA LEU A 50 8.807 5.142 -4.250 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.085 3.399 -6.072 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.728 3.882 -6.444 1.00 0.00 H new ATOM 0 HG LEU A 50 7.802 2.208 -4.108 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.230 0.439 -5.234 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.928 1.018 -6.301 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.593 1.603 -6.530 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.171 1.817 -3.518 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.657 3.026 -4.729 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.688 3.518 -3.320 1.00 0.00 H new ATOM 748 N VAL A 51 6.297 6.611 -5.573 1.00 0.00 N ATOM 749 CA VAL A 51 5.797 7.762 -6.312 1.00 0.00 C ATOM 750 C VAL A 51 4.735 8.436 -5.437 1.00 0.00 C ATOM 751 O VAL A 51 4.274 7.838 -4.462 1.00 0.00 O ATOM 752 CB VAL A 51 5.214 7.341 -7.682 1.00 0.00 C ATOM 753 CG1 VAL A 51 6.272 6.773 -8.640 1.00 0.00 C ATOM 754 CG2 VAL A 51 4.082 6.317 -7.548 1.00 0.00 C ATOM 0 H VAL A 51 5.582 6.190 -4.980 1.00 0.00 H new ATOM 0 HA VAL A 51 6.608 8.457 -6.528 1.00 0.00 H new ATOM 0 HB VAL A 51 4.820 8.266 -8.104 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.799 6.497 -9.582 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.037 7.527 -8.825 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.732 5.892 -8.193 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.709 6.056 -8.538 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.458 5.421 -7.054 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.273 6.745 -6.956 1.00 0.00 H new ATOM 764 N THR A 52 4.376 9.684 -5.722 1.00 0.00 N ATOM 765 CA THR A 52 3.359 10.388 -4.960 1.00 0.00 C ATOM 766 C THR A 52 1.997 9.790 -5.329 1.00 0.00 C ATOM 767 O THR A 52 1.687 9.578 -6.506 1.00 0.00 O ATOM 768 CB THR A 52 3.467 11.896 -5.221 1.00 0.00 C ATOM 769 OG1 THR A 52 4.721 12.329 -4.717 1.00 0.00 O ATOM 770 CG2 THR A 52 2.363 12.702 -4.527 1.00 0.00 C ATOM 0 H THR A 52 4.781 10.230 -6.483 1.00 0.00 H new ATOM 0 HA THR A 52 3.495 10.264 -3.886 1.00 0.00 H new ATOM 0 HB THR A 52 3.365 12.063 -6.293 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.821 13.292 -4.871 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.492 13.761 -4.748 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.389 12.372 -4.889 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.422 12.547 -3.450 1.00 0.00 H new ATOM 778 N VAL A 53 1.195 9.517 -4.304 1.00 0.00 N ATOM 779 CA VAL A 53 -0.138 8.942 -4.396 1.00 0.00 C ATOM 780 C VAL A 53 -1.129 10.009 -3.952 1.00 0.00 C ATOM 781 O VAL A 53 -0.973 10.558 -2.864 1.00 0.00 O ATOM 782 CB VAL A 53 -0.204 7.685 -3.507 1.00 0.00 C ATOM 783 CG1 VAL A 53 -1.615 7.097 -3.495 1.00 0.00 C ATOM 784 CG2 VAL A 53 0.782 6.598 -3.962 1.00 0.00 C ATOM 0 H VAL A 53 1.473 9.701 -3.340 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.381 8.636 -5.413 1.00 0.00 H new ATOM 0 HB VAL A 53 0.073 8.006 -2.503 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.635 6.211 -2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.314 7.837 -3.106 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.904 6.823 -4.510 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.698 5.733 -3.305 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.550 6.301 -4.985 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.799 6.988 -3.920 1.00 0.00 H new ATOM 794 N GLU A 54 -2.115 10.344 -4.784 1.00 0.00 N ATOM 795 CA GLU A 54 -3.117 11.347 -4.442 1.00 0.00 C ATOM 796 C GLU A 54 -4.186 10.787 -3.510 1.00 0.00 C ATOM 797 O GLU A 54 -4.225 9.593 -3.222 1.00 0.00 O ATOM 798 CB GLU A 54 -3.812 11.864 -5.706 1.00 0.00 C ATOM 799 CG GLU A 54 -2.830 12.556 -6.640 1.00 0.00 C ATOM 800 CD GLU A 54 -3.530 13.621 -7.465 1.00 0.00 C ATOM 801 OE1 GLU A 54 -4.302 13.259 -8.384 1.00 0.00 O ATOM 802 OE2 GLU A 54 -3.345 14.821 -7.133 1.00 0.00 O ATOM 0 H GLU A 54 -2.239 9.929 -5.708 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.590 12.156 -3.937 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.287 11.033 -6.227 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.604 12.560 -5.428 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.027 13.009 -6.059 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.370 11.821 -7.301 1.00 0.00 H new ATOM 809 N GLU A 55 -5.044 11.677 -3.013 1.00 0.00 N ATOM 810 CA GLU A 55 -6.149 11.279 -2.153 1.00 0.00 C ATOM 811 C GLU A 55 -7.037 10.382 -3.021 1.00 0.00 C ATOM 812 O GLU A 55 -7.221 10.632 -4.220 1.00 0.00 O ATOM 813 CB GLU A 55 -6.924 12.509 -1.640 1.00 0.00 C ATOM 814 CG GLU A 55 -8.291 12.131 -1.024 1.00 0.00 C ATOM 815 CD GLU A 55 -9.092 13.269 -0.372 1.00 0.00 C ATOM 816 OE1 GLU A 55 -8.557 14.370 -0.100 1.00 0.00 O ATOM 817 OE2 GLU A 55 -10.311 13.082 -0.142 1.00 0.00 O ATOM 0 H GLU A 55 -4.992 12.680 -3.194 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.800 10.755 -1.263 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.323 13.028 -0.893 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.080 13.206 -2.463 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.906 11.687 -1.807 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.124 11.359 -0.273 1.00 0.00 H new ATOM 824 N ASP A 56 -7.606 9.360 -2.392 1.00 0.00 N ATOM 825 CA ASP A 56 -8.492 8.357 -2.961 1.00 0.00 C ATOM 826 C ASP A 56 -7.825 7.532 -4.072 1.00 0.00 C ATOM 827 O ASP A 56 -8.490 6.740 -4.751 1.00 0.00 O ATOM 828 CB ASP A 56 -9.828 9.011 -3.348 1.00 0.00 C ATOM 829 CG ASP A 56 -10.879 7.982 -3.734 1.00 0.00 C ATOM 830 OD1 ASP A 56 -10.991 6.913 -3.097 1.00 0.00 O ATOM 831 OD2 ASP A 56 -11.614 8.204 -4.724 1.00 0.00 O ATOM 0 H ASP A 56 -7.447 9.201 -1.397 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.718 7.607 -2.203 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.195 9.607 -2.512 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.668 9.695 -4.181 1.00 0.00 H new ATOM 836 N ASP A 57 -6.506 7.684 -4.283 1.00 0.00 N ATOM 837 CA ASP A 57 -5.818 6.920 -5.313 1.00 0.00 C ATOM 838 C ASP A 57 -5.541 5.504 -4.824 1.00 0.00 C ATOM 839 O ASP A 57 -5.411 5.248 -3.626 1.00 0.00 O ATOM 840 CB ASP A 57 -4.610 7.630 -5.928 1.00 0.00 C ATOM 841 CG ASP A 57 -4.835 7.674 -7.432 1.00 0.00 C ATOM 842 OD1 ASP A 57 -5.070 6.606 -8.045 1.00 0.00 O ATOM 843 OD2 ASP A 57 -4.995 8.793 -7.974 1.00 0.00 O ATOM 0 H ASP A 57 -5.910 8.323 -3.756 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.495 6.839 -6.164 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.508 8.637 -5.524 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.689 7.097 -5.692 1.00 0.00 H new ATOM 848 N THR A 58 -5.499 4.564 -5.761 1.00 0.00 N ATOM 849 CA THR A 58 -5.322 3.151 -5.514 1.00 0.00 C ATOM 850 C THR A 58 -3.903 2.762 -5.160 1.00 0.00 C ATOM 851 O THR A 58 -2.982 2.974 -5.947 1.00 0.00 O ATOM 852 CB THR A 58 -5.821 2.341 -6.730 1.00 0.00 C ATOM 853 OG1 THR A 58 -6.797 3.033 -7.497 1.00 0.00 O ATOM 854 CG2 THR A 58 -6.438 1.023 -6.264 1.00 0.00 C ATOM 0 H THR A 58 -5.592 4.782 -6.753 1.00 0.00 H new ATOM 0 HA THR A 58 -5.920 2.913 -4.634 1.00 0.00 H new ATOM 0 HB THR A 58 -4.947 2.171 -7.359 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.075 2.475 -8.253 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.787 0.459 -7.129 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.689 0.440 -5.729 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.279 1.229 -5.602 1.00 0.00 H new ATOM 862 N ILE A 59 -3.716 2.225 -3.954 1.00 0.00 N ATOM 863 CA ILE A 59 -2.397 1.771 -3.553 1.00 0.00 C ATOM 864 C ILE A 59 -2.199 0.445 -4.306 1.00 0.00 C ATOM 865 O ILE A 59 -3.163 -0.300 -4.509 1.00 0.00 O ATOM 866 CB ILE A 59 -2.328 1.590 -2.017 1.00 0.00 C ATOM 867 CG1 ILE A 59 -2.548 2.913 -1.246 1.00 0.00 C ATOM 868 CG2 ILE A 59 -1.013 0.915 -1.586 1.00 0.00 C ATOM 869 CD1 ILE A 59 -1.359 3.881 -1.282 1.00 0.00 C ATOM 0 H ILE A 59 -4.448 2.098 -3.255 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.610 2.485 -3.795 1.00 0.00 H new ATOM 0 HB ILE A 59 -3.154 0.930 -1.752 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.422 3.417 -1.659 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.777 2.678 -0.206 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.999 0.804 -0.502 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.938 -0.067 -2.052 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.169 1.530 -1.899 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.604 4.780 -0.716 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.486 3.401 -0.841 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.141 4.151 -2.315 1.00 0.00 H new ATOM 881 N MET A 60 -0.970 0.129 -4.711 1.00 0.00 N ATOM 882 CA MET A 60 -0.641 -1.090 -5.439 1.00 0.00 C ATOM 883 C MET A 60 0.700 -1.613 -4.957 1.00 0.00 C ATOM 884 O MET A 60 1.528 -0.836 -4.478 1.00 0.00 O ATOM 885 CB MET A 60 -0.514 -0.772 -6.936 1.00 0.00 C ATOM 886 CG MET A 60 -1.856 -0.452 -7.589 1.00 0.00 C ATOM 887 SD MET A 60 -1.734 -0.363 -9.390 1.00 0.00 S ATOM 888 CE MET A 60 -3.218 -1.298 -9.835 1.00 0.00 C ATOM 0 H MET A 60 -0.161 0.726 -4.538 1.00 0.00 H new ATOM 0 HA MET A 60 -1.424 -1.829 -5.272 1.00 0.00 H new ATOM 0 HB2 MET A 60 0.160 0.075 -7.067 1.00 0.00 H new ATOM 0 HB3 MET A 60 -0.060 -1.622 -7.446 1.00 0.00 H new ATOM 0 HG2 MET A 60 -2.584 -1.215 -7.313 1.00 0.00 H new ATOM 0 HG3 MET A 60 -2.228 0.497 -7.204 1.00 0.00 H new ATOM 0 HE1 MET A 60 -3.306 -1.346 -10.920 1.00 0.00 H new ATOM 0 HE2 MET A 60 -3.146 -2.308 -9.431 1.00 0.00 H new ATOM 0 HE3 MET A 60 -4.097 -0.804 -9.422 1.00 0.00 H new ATOM 898 N GLU A 61 0.946 -2.911 -5.143 1.00 0.00 N ATOM 899 CA GLU A 61 2.205 -3.537 -4.741 1.00 0.00 C ATOM 900 C GLU A 61 3.379 -3.027 -5.594 1.00 0.00 C ATOM 901 O GLU A 61 4.540 -3.241 -5.252 1.00 0.00 O ATOM 902 CB GLU A 61 2.110 -5.072 -4.776 1.00 0.00 C ATOM 903 CG GLU A 61 1.858 -5.669 -6.175 1.00 0.00 C ATOM 904 CD GLU A 61 2.098 -7.178 -6.251 1.00 0.00 C ATOM 905 OE1 GLU A 61 2.643 -7.790 -5.310 1.00 0.00 O ATOM 906 OE2 GLU A 61 1.790 -7.790 -7.300 1.00 0.00 O ATOM 0 H GLU A 61 0.282 -3.554 -5.574 1.00 0.00 H new ATOM 0 HA GLU A 61 2.398 -3.248 -3.708 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.035 -5.489 -4.379 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.307 -5.388 -4.111 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.830 -5.458 -6.471 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.506 -5.170 -6.896 1.00 0.00 H new ATOM 913 N GLU A 62 3.102 -2.369 -6.722 1.00 0.00 N ATOM 914 CA GLU A 62 4.124 -1.823 -7.605 1.00 0.00 C ATOM 915 C GLU A 62 4.575 -0.435 -7.128 1.00 0.00 C ATOM 916 O GLU A 62 5.742 -0.069 -7.285 1.00 0.00 O ATOM 917 CB GLU A 62 3.543 -1.772 -9.026 1.00 0.00 C ATOM 918 CG GLU A 62 4.397 -0.916 -9.975 1.00 0.00 C ATOM 919 CD GLU A 62 4.093 -1.138 -11.457 1.00 0.00 C ATOM 920 OE1 GLU A 62 3.802 -2.288 -11.849 1.00 0.00 O ATOM 921 OE2 GLU A 62 4.213 -0.181 -12.253 1.00 0.00 O ATOM 0 H GLU A 62 2.150 -2.201 -7.048 1.00 0.00 H new ATOM 0 HA GLU A 62 5.010 -2.457 -7.596 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.468 -2.785 -9.422 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.531 -1.369 -8.988 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.242 0.136 -9.737 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.450 -1.132 -9.794 1.00 0.00 H new ATOM 928 N LEU A 63 3.659 0.334 -6.538 1.00 0.00 N ATOM 929 CA LEU A 63 3.875 1.694 -6.045 1.00 0.00 C ATOM 930 C LEU A 63 4.537 1.754 -4.667 1.00 0.00 C ATOM 931 O LEU A 63 4.628 2.844 -4.096 1.00 0.00 O ATOM 932 CB LEU A 63 2.522 2.423 -5.959 1.00 0.00 C ATOM 933 CG LEU A 63 1.722 2.511 -7.270 1.00 0.00 C ATOM 934 CD1 LEU A 63 0.289 2.976 -6.988 1.00 0.00 C ATOM 935 CD2 LEU A 63 2.370 3.473 -8.252 1.00 0.00 C ATOM 0 H LEU A 63 2.704 0.011 -6.384 1.00 0.00 H new ATOM 0 HA LEU A 63 4.553 2.170 -6.753 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.907 1.919 -5.214 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.699 3.435 -5.595 1.00 0.00 H new ATOM 0 HG LEU A 63 1.709 1.515 -7.712 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.266 3.034 -7.925 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.199 2.266 -6.320 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.311 3.959 -6.518 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.779 3.511 -9.167 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.418 4.468 -7.809 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.378 3.131 -8.485 1.00 0.00 H new ATOM 947 N VAL A 64 4.967 0.628 -4.102 1.00 0.00 N ATOM 948 CA VAL A 64 5.592 0.586 -2.791 1.00 0.00 C ATOM 949 C VAL A 64 6.941 -0.124 -2.851 1.00 0.00 C ATOM 950 O VAL A 64 7.207 -0.936 -3.746 1.00 0.00 O ATOM 951 CB VAL A 64 4.630 -0.048 -1.765 1.00 0.00 C ATOM 952 CG1 VAL A 64 3.343 0.769 -1.593 1.00 0.00 C ATOM 953 CG2 VAL A 64 4.220 -1.478 -2.129 1.00 0.00 C ATOM 0 H VAL A 64 4.889 -0.286 -4.548 1.00 0.00 H new ATOM 0 HA VAL A 64 5.796 1.604 -2.459 1.00 0.00 H new ATOM 0 HB VAL A 64 5.198 -0.060 -0.835 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.698 0.283 -0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.592 1.772 -1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.823 0.834 -2.549 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.543 -1.867 -1.368 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.717 -1.477 -3.096 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.107 -2.109 -2.182 1.00 0.00 H new ATOM 963 N ASP A 65 7.805 0.233 -1.904 1.00 0.00 N ATOM 964 CA ASP A 65 9.141 -0.310 -1.738 1.00 0.00 C ATOM 965 C ASP A 65 9.053 -1.721 -1.153 1.00 0.00 C ATOM 966 O ASP A 65 7.965 -2.287 -0.986 1.00 0.00 O ATOM 967 CB ASP A 65 10.017 0.638 -0.895 1.00 0.00 C ATOM 968 CG ASP A 65 9.824 0.587 0.625 1.00 0.00 C ATOM 969 OD1 ASP A 65 8.730 0.256 1.119 1.00 0.00 O ATOM 970 OD2 ASP A 65 10.794 0.955 1.337 1.00 0.00 O ATOM 0 H ASP A 65 7.579 0.939 -1.204 1.00 0.00 H new ATOM 0 HA ASP A 65 9.629 -0.390 -2.709 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.062 0.418 -1.112 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.830 1.659 -1.227 1.00 0.00 H new