USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 666 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 13 SER OG : rot 180:sc= -0.0351 USER MOD Single : A 15 SER OG : rot -100:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -167:sc=-0.00475 (180deg=-0.117) USER MOD Single : A 21 CYS SG : rot 26:sc= 0.537 USER MOD Single : A 27 GLN : amide:sc= -0.601 K(o=-0.6,f=-3!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 CYS SG : rot -19:sc= -0.0204 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 10:sc= 0.335 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0324 X(o=-0.032,f=-0.34) USER MOD Single : A 50 GLN : amide:sc= -0.059 X(o=-0.059,f=0) USER MOD Single : A 53 GLN : amide:sc= -0.0016 X(o=-0.0016,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 43:sc= 0.229 USER MOD Single : A 59 CYS SG : rot 32:sc= 0.0843 USER MOD Single : A 67 HIS : no HD1:sc=-0.00917 X(o=-0.0092,f=-0.0021) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HE2:sc= -0.279 K(o=-0.28,f=-1.8) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot 180:sc= -0.0677 USER MOD Single : A 85 ASN : amide:sc= -3.63! C(o=-3.6!,f=-21!) USER MOD Single : A 89 GLN : amide:sc= -0.202 X(o=-0.2,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 CYS SG : rot -110:sc= -0.483 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 14:sc= 0.215 USER MOD Single : A 99 HIS : no HE2:sc= -1.04 K(o=-1,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 83 N GLU A 9 18.851 -0.912 1.178 1.00 0.00 N ATOM 84 CA GLU A 9 17.439 -1.098 0.866 1.00 0.00 C ATOM 85 C GLU A 9 16.782 -2.050 1.861 1.00 0.00 C ATOM 86 O GLU A 9 17.462 -2.721 2.637 1.00 0.00 O ATOM 87 CB GLU A 9 17.275 -1.638 -0.557 1.00 0.00 C ATOM 88 CG GLU A 9 17.685 -0.647 -1.634 1.00 0.00 C ATOM 89 CD GLU A 9 19.153 -0.755 -1.997 1.00 0.00 C ATOM 90 OE1 GLU A 9 19.595 -1.865 -2.360 1.00 0.00 O ATOM 91 OE2 GLU A 9 19.861 0.271 -1.918 1.00 0.00 O ATOM 0 HA GLU A 9 16.947 -0.128 0.938 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.870 -2.545 -0.664 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.234 -1.920 -0.712 1.00 0.00 H new ATOM 0 HG2 GLU A 9 17.081 -0.814 -2.526 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.473 0.366 -1.291 1.00 0.00 H new ATOM 98 N VAL A 10 15.454 -2.103 1.833 1.00 0.00 N ATOM 99 CA VAL A 10 14.704 -2.972 2.731 1.00 0.00 C ATOM 100 C VAL A 10 13.595 -3.707 1.987 1.00 0.00 C ATOM 101 O VAL A 10 13.261 -3.362 0.854 1.00 0.00 O ATOM 102 CB VAL A 10 14.086 -2.177 3.896 1.00 0.00 C ATOM 103 CG1 VAL A 10 15.131 -1.898 4.966 1.00 0.00 C ATOM 104 CG2 VAL A 10 13.471 -0.881 3.389 1.00 0.00 C ATOM 0 H VAL A 10 14.875 -1.554 1.197 1.00 0.00 H new ATOM 0 HA VAL A 10 15.412 -3.698 3.131 1.00 0.00 H new ATOM 0 HB VAL A 10 13.294 -2.778 4.343 1.00 0.00 H new ATOM 0 HG11 VAL A 10 14.676 -1.335 5.781 1.00 0.00 H new ATOM 0 HG12 VAL A 10 15.520 -2.841 5.349 1.00 0.00 H new ATOM 0 HG13 VAL A 10 15.947 -1.317 4.535 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.039 -0.332 4.225 1.00 0.00 H new ATOM 0 HG22 VAL A 10 14.242 -0.273 2.915 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.691 -1.108 2.662 1.00 0.00 H new ATOM 114 N ALA A 11 13.027 -4.720 2.632 1.00 0.00 N ATOM 115 CA ALA A 11 11.953 -5.502 2.032 1.00 0.00 C ATOM 116 C ALA A 11 10.592 -4.880 2.325 1.00 0.00 C ATOM 117 O ALA A 11 10.444 -4.040 3.213 1.00 0.00 O ATOM 118 CB ALA A 11 11.999 -6.937 2.536 1.00 0.00 C ATOM 0 H ALA A 11 13.293 -5.019 3.570 1.00 0.00 H new ATOM 0 HA ALA A 11 12.098 -5.504 0.952 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.191 -7.509 2.080 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.956 -7.385 2.270 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.882 -6.946 3.620 1.00 0.00 H new ATOM 124 N PRO A 12 9.571 -5.301 1.563 1.00 0.00 N ATOM 125 CA PRO A 12 8.204 -4.798 1.723 1.00 0.00 C ATOM 126 C PRO A 12 7.559 -5.274 3.019 1.00 0.00 C ATOM 127 O PRO A 12 7.672 -6.443 3.387 1.00 0.00 O ATOM 128 CB PRO A 12 7.468 -5.381 0.514 1.00 0.00 C ATOM 129 CG PRO A 12 8.240 -6.604 0.154 1.00 0.00 C ATOM 130 CD PRO A 12 9.674 -6.300 0.486 1.00 0.00 C ATOM 0 HA PRO A 12 8.174 -3.710 1.774 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.434 -5.623 0.759 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.442 -4.672 -0.313 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.885 -7.469 0.714 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.126 -6.840 -0.904 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.208 -7.192 0.815 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.211 -5.907 -0.377 1.00 0.00 H new ATOM 138 N SER A 13 6.881 -4.361 3.708 1.00 0.00 N ATOM 139 CA SER A 13 6.221 -4.688 4.967 1.00 0.00 C ATOM 140 C SER A 13 4.970 -3.835 5.161 1.00 0.00 C ATOM 141 O SER A 13 4.963 -2.643 4.853 1.00 0.00 O ATOM 142 CB SER A 13 7.180 -4.480 6.140 1.00 0.00 C ATOM 143 OG SER A 13 8.382 -5.207 5.950 1.00 0.00 O ATOM 0 H SER A 13 6.774 -3.390 3.416 1.00 0.00 H new ATOM 0 HA SER A 13 5.924 -5.736 4.932 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.406 -3.419 6.246 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.701 -4.798 7.066 1.00 0.00 H new ATOM 0 HG SER A 13 8.979 -5.057 6.712 1.00 0.00 H new ATOM 149 N PHE A 14 3.913 -4.455 5.674 1.00 0.00 N ATOM 150 CA PHE A 14 2.656 -3.755 5.909 1.00 0.00 C ATOM 151 C PHE A 14 2.533 -3.333 7.370 1.00 0.00 C ATOM 152 O PHE A 14 2.073 -4.103 8.214 1.00 0.00 O ATOM 153 CB PHE A 14 1.472 -4.645 5.523 1.00 0.00 C ATOM 154 CG PHE A 14 1.183 -4.651 4.049 1.00 0.00 C ATOM 155 CD1 PHE A 14 0.829 -3.482 3.394 1.00 0.00 C ATOM 156 CD2 PHE A 14 1.266 -5.825 3.318 1.00 0.00 C ATOM 157 CE1 PHE A 14 0.561 -3.485 2.038 1.00 0.00 C ATOM 158 CE2 PHE A 14 1.000 -5.834 1.961 1.00 0.00 C ATOM 159 CZ PHE A 14 0.648 -4.662 1.321 1.00 0.00 C ATOM 0 H PHE A 14 3.902 -5.441 5.935 1.00 0.00 H new ATOM 0 HA PHE A 14 2.647 -2.859 5.288 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.673 -5.665 5.850 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.584 -4.308 6.058 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.762 -2.558 3.949 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.542 -6.744 3.814 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.284 -2.568 1.540 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.067 -6.756 1.403 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.441 -4.666 0.261 1.00 0.00 H new ATOM 169 N SER A 15 2.949 -2.105 7.662 1.00 0.00 N ATOM 170 CA SER A 15 2.890 -1.581 9.022 1.00 0.00 C ATOM 171 C SER A 15 1.464 -1.628 9.561 1.00 0.00 C ATOM 172 O SER A 15 1.238 -1.985 10.717 1.00 0.00 O ATOM 173 CB SER A 15 3.415 -0.144 9.060 1.00 0.00 C ATOM 174 OG SER A 15 4.667 -0.041 8.405 1.00 0.00 O ATOM 0 H SER A 15 3.331 -1.454 6.975 1.00 0.00 H new ATOM 0 HA SER A 15 3.519 -2.207 9.654 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.696 0.522 8.583 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.515 0.183 10.095 1.00 0.00 H new ATOM 0 HG SER A 15 5.385 -0.035 9.072 1.00 0.00 H new ATOM 180 N SER A 16 0.506 -1.266 8.714 1.00 0.00 N ATOM 181 CA SER A 16 -0.899 -1.263 9.106 1.00 0.00 C ATOM 182 C SER A 16 -1.755 -1.980 8.066 1.00 0.00 C ATOM 183 O SER A 16 -2.075 -1.420 7.017 1.00 0.00 O ATOM 184 CB SER A 16 -1.396 0.172 9.291 1.00 0.00 C ATOM 185 OG SER A 16 -2.425 0.234 10.262 1.00 0.00 O ATOM 0 H SER A 16 0.677 -0.971 7.753 1.00 0.00 H new ATOM 0 HA SER A 16 -0.987 -1.795 10.053 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.567 0.811 9.594 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.765 0.558 8.341 1.00 0.00 H new ATOM 0 HG SER A 16 -2.724 1.162 10.363 1.00 0.00 H new ATOM 191 N VAL A 17 -2.121 -3.222 8.364 1.00 0.00 N ATOM 192 CA VAL A 17 -2.940 -4.017 7.457 1.00 0.00 C ATOM 193 C VAL A 17 -4.376 -3.504 7.421 1.00 0.00 C ATOM 194 O VAL A 17 -4.807 -2.770 8.311 1.00 0.00 O ATOM 195 CB VAL A 17 -2.947 -5.503 7.862 1.00 0.00 C ATOM 196 CG1 VAL A 17 -1.553 -6.098 7.732 1.00 0.00 C ATOM 197 CG2 VAL A 17 -3.475 -5.666 9.279 1.00 0.00 C ATOM 0 H VAL A 17 -1.863 -3.700 9.227 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.498 -3.921 6.465 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.611 -6.043 7.187 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.577 -7.148 8.022 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.217 -6.015 6.698 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.865 -5.558 8.382 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.473 -6.722 9.549 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.838 -5.114 9.970 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.493 -5.279 9.335 1.00 0.00 H new ATOM 207 N LEU A 18 -5.112 -3.896 6.387 1.00 0.00 N ATOM 208 CA LEU A 18 -6.501 -3.477 6.235 1.00 0.00 C ATOM 209 C LEU A 18 -7.408 -4.241 7.193 1.00 0.00 C ATOM 210 O LEU A 18 -7.128 -5.385 7.553 1.00 0.00 O ATOM 211 CB LEU A 18 -6.965 -3.694 4.793 1.00 0.00 C ATOM 212 CG LEU A 18 -6.114 -3.034 3.708 1.00 0.00 C ATOM 213 CD1 LEU A 18 -6.261 -3.776 2.389 1.00 0.00 C ATOM 214 CD2 LEU A 18 -6.500 -1.571 3.545 1.00 0.00 C ATOM 0 H LEU A 18 -4.770 -4.503 5.642 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.563 -2.415 6.474 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.996 -4.766 4.600 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.986 -3.324 4.701 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.069 -3.082 4.013 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.648 -3.292 1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.935 -4.809 2.514 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.305 -3.760 2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.884 -1.117 2.769 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.550 -1.501 3.262 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.342 -1.046 4.487 1.00 0.00 H new ATOM 226 N LYS A 19 -8.499 -3.602 7.603 1.00 0.00 N ATOM 227 CA LYS A 19 -9.451 -4.221 8.518 1.00 0.00 C ATOM 228 C LYS A 19 -10.863 -4.181 7.942 1.00 0.00 C ATOM 229 O LYS A 19 -11.139 -3.438 7.000 1.00 0.00 O ATOM 230 CB LYS A 19 -9.421 -3.514 9.874 1.00 0.00 C ATOM 231 CG LYS A 19 -9.658 -2.016 9.784 1.00 0.00 C ATOM 232 CD LYS A 19 -8.362 -1.259 9.551 1.00 0.00 C ATOM 233 CE LYS A 19 -7.519 -1.195 10.815 1.00 0.00 C ATOM 234 NZ LYS A 19 -8.104 -0.271 11.826 1.00 0.00 N ATOM 0 H LYS A 19 -8.746 -2.655 7.316 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.162 -5.263 8.653 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.179 -3.955 10.521 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.455 -3.693 10.346 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.354 -1.805 8.972 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.125 -1.665 10.704 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.794 -1.744 8.758 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.586 -0.248 9.210 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.431 -2.193 11.244 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.511 -0.866 10.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.403 -0.083 12.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.369 0.624 11.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.949 -0.707 12.247 1.00 0.00 H new ATOM 248 N ASP A 20 -11.754 -4.982 8.516 1.00 0.00 N ATOM 249 CA ASP A 20 -13.139 -5.035 8.062 1.00 0.00 C ATOM 250 C ASP A 20 -13.776 -3.650 8.098 1.00 0.00 C ATOM 251 O ASP A 20 -13.430 -2.818 8.937 1.00 0.00 O ATOM 252 CB ASP A 20 -13.945 -6.004 8.929 1.00 0.00 C ATOM 253 CG ASP A 20 -13.878 -5.655 10.403 1.00 0.00 C ATOM 254 OD1 ASP A 20 -12.803 -5.845 11.009 1.00 0.00 O ATOM 255 OD2 ASP A 20 -14.901 -5.192 10.951 1.00 0.00 O ATOM 0 H ASP A 20 -11.542 -5.603 9.297 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.145 -5.391 7.032 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -14.985 -5.998 8.604 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -13.571 -7.017 8.781 1.00 0.00 H new ATOM 260 N CYS A 21 -14.707 -3.409 7.181 1.00 0.00 N ATOM 261 CA CYS A 21 -15.392 -2.124 7.106 1.00 0.00 C ATOM 262 C CYS A 21 -16.785 -2.284 6.506 1.00 0.00 C ATOM 263 O CYS A 21 -17.032 -3.199 5.722 1.00 0.00 O ATOM 264 CB CYS A 21 -14.575 -1.135 6.274 1.00 0.00 C ATOM 265 SG CYS A 21 -13.246 -0.319 7.190 1.00 0.00 S ATOM 0 H CYS A 21 -15.004 -4.087 6.479 1.00 0.00 H new ATOM 0 HA CYS A 21 -15.496 -1.736 8.119 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -14.144 -1.662 5.423 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -15.245 -0.375 5.872 1.00 0.00 H new ATOM 0 HG CYS A 21 -12.876 -1.073 8.182 1.00 0.00 H new ATOM 271 N ALA A 22 -17.692 -1.387 6.881 1.00 0.00 N ATOM 272 CA ALA A 22 -19.060 -1.429 6.379 1.00 0.00 C ATOM 273 C ALA A 22 -19.470 -0.083 5.791 1.00 0.00 C ATOM 274 O ALA A 22 -19.074 0.971 6.290 1.00 0.00 O ATOM 275 CB ALA A 22 -20.017 -1.836 7.489 1.00 0.00 C ATOM 0 H ALA A 22 -17.504 -0.623 7.530 1.00 0.00 H new ATOM 0 HA ALA A 22 -19.107 -2.173 5.584 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -21.035 -1.863 7.100 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -19.744 -2.824 7.861 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -19.959 -1.113 8.303 1.00 0.00 H new ATOM 281 N VAL A 23 -20.264 -0.125 4.726 1.00 0.00 N ATOM 282 CA VAL A 23 -20.728 1.092 4.070 1.00 0.00 C ATOM 283 C VAL A 23 -22.113 0.895 3.463 1.00 0.00 C ATOM 284 O VAL A 23 -22.507 -0.226 3.141 1.00 0.00 O ATOM 285 CB VAL A 23 -19.754 1.539 2.963 1.00 0.00 C ATOM 286 CG1 VAL A 23 -20.055 0.813 1.661 1.00 0.00 C ATOM 287 CG2 VAL A 23 -19.823 3.046 2.771 1.00 0.00 C ATOM 0 H VAL A 23 -20.599 -0.988 4.299 1.00 0.00 H new ATOM 0 HA VAL A 23 -20.776 1.866 4.836 1.00 0.00 H new ATOM 0 HB VAL A 23 -18.740 1.280 3.269 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -19.357 1.142 0.891 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -19.950 -0.262 1.811 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -21.074 1.038 1.346 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -19.129 3.345 1.986 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -20.836 3.331 2.487 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -19.553 3.544 3.702 1.00 0.00 H new ATOM 297 N ILE A 24 -22.847 1.992 3.311 1.00 0.00 N ATOM 298 CA ILE A 24 -24.188 1.940 2.741 1.00 0.00 C ATOM 299 C ILE A 24 -24.152 2.145 1.231 1.00 0.00 C ATOM 300 O ILE A 24 -23.287 2.849 0.711 1.00 0.00 O ATOM 301 CB ILE A 24 -25.108 3.003 3.370 1.00 0.00 C ATOM 302 CG1 ILE A 24 -25.495 2.597 4.794 1.00 0.00 C ATOM 303 CG2 ILE A 24 -26.350 3.202 2.514 1.00 0.00 C ATOM 304 CD1 ILE A 24 -24.345 2.661 5.774 1.00 0.00 C ATOM 0 H ILE A 24 -22.536 2.927 3.574 1.00 0.00 H new ATOM 0 HA ILE A 24 -24.586 0.950 2.961 1.00 0.00 H new ATOM 0 HB ILE A 24 -24.567 3.948 3.417 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -26.296 3.248 5.144 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -25.893 1.582 4.778 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -26.990 3.956 2.972 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -26.056 3.532 1.518 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -26.895 2.261 2.439 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -24.692 2.360 6.762 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -23.551 1.989 5.448 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -23.961 3.680 5.819 1.00 0.00 H new ATOM 316 N GLU A 25 -25.098 1.525 0.532 1.00 0.00 N ATOM 317 CA GLU A 25 -25.175 1.640 -0.919 1.00 0.00 C ATOM 318 C GLU A 25 -25.298 3.101 -1.343 1.00 0.00 C ATOM 319 O GLU A 25 -26.196 3.814 -0.897 1.00 0.00 O ATOM 320 CB GLU A 25 -26.364 0.840 -1.455 1.00 0.00 C ATOM 321 CG GLU A 25 -26.312 0.603 -2.955 1.00 0.00 C ATOM 322 CD GLU A 25 -27.326 -0.425 -3.418 1.00 0.00 C ATOM 323 OE1 GLU A 25 -27.548 -1.412 -2.687 1.00 0.00 O ATOM 324 OE2 GLU A 25 -27.898 -0.241 -4.513 1.00 0.00 O ATOM 0 H GLU A 25 -25.821 0.938 0.948 1.00 0.00 H new ATOM 0 HA GLU A 25 -24.255 1.234 -1.339 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -26.403 -0.122 -0.945 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -27.286 1.368 -1.211 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -26.491 1.544 -3.474 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -25.311 0.272 -3.232 1.00 0.00 H new ATOM 331 N GLY A 26 -24.388 3.540 -2.208 1.00 0.00 N ATOM 332 CA GLY A 26 -24.412 4.913 -2.677 1.00 0.00 C ATOM 333 C GLY A 26 -23.458 5.805 -1.908 1.00 0.00 C ATOM 334 O GLY A 26 -23.352 6.998 -2.189 1.00 0.00 O ATOM 0 H GLY A 26 -23.635 2.969 -2.592 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -24.153 4.937 -3.736 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -25.425 5.307 -2.588 1.00 0.00 H new ATOM 338 N GLN A 27 -22.764 5.225 -0.934 1.00 0.00 N ATOM 339 CA GLN A 27 -21.816 5.978 -0.120 1.00 0.00 C ATOM 340 C GLN A 27 -20.389 5.773 -0.617 1.00 0.00 C ATOM 341 O GLN A 27 -20.122 4.873 -1.414 1.00 0.00 O ATOM 342 CB GLN A 27 -21.923 5.555 1.347 1.00 0.00 C ATOM 343 CG GLN A 27 -23.134 6.135 2.060 1.00 0.00 C ATOM 344 CD GLN A 27 -22.986 7.616 2.350 1.00 0.00 C ATOM 345 OE1 GLN A 27 -22.902 8.434 1.434 1.00 0.00 O ATOM 346 NE2 GLN A 27 -22.954 7.968 3.630 1.00 0.00 N ATOM 0 H GLN A 27 -22.840 4.238 -0.689 1.00 0.00 H new ATOM 0 HA GLN A 27 -22.063 7.036 -0.205 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -21.967 4.467 1.401 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -21.020 5.864 1.873 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -24.022 5.975 1.448 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -23.291 5.599 2.996 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -23.027 7.256 4.357 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -22.857 8.950 3.886 1.00 0.00 H new ATOM 355 N ASP A 28 -19.477 6.615 -0.144 1.00 0.00 N ATOM 356 CA ASP A 28 -18.076 6.526 -0.540 1.00 0.00 C ATOM 357 C ASP A 28 -17.224 5.968 0.596 1.00 0.00 C ATOM 358 O ASP A 28 -17.549 6.138 1.771 1.00 0.00 O ATOM 359 CB ASP A 28 -17.554 7.902 -0.957 1.00 0.00 C ATOM 360 CG ASP A 28 -16.043 7.997 -0.876 1.00 0.00 C ATOM 361 OD1 ASP A 28 -15.370 7.573 -1.838 1.00 0.00 O ATOM 362 OD2 ASP A 28 -15.534 8.494 0.151 1.00 0.00 O ATOM 0 H ASP A 28 -19.682 7.367 0.514 1.00 0.00 H new ATOM 0 HA ASP A 28 -18.007 5.846 -1.389 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -17.874 8.115 -1.977 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -17.998 8.665 -0.317 1.00 0.00 H new ATOM 367 N PHE A 29 -16.133 5.300 0.237 1.00 0.00 N ATOM 368 CA PHE A 29 -15.235 4.715 1.226 1.00 0.00 C ATOM 369 C PHE A 29 -13.863 4.436 0.618 1.00 0.00 C ATOM 370 O PHE A 29 -13.752 3.779 -0.417 1.00 0.00 O ATOM 371 CB PHE A 29 -15.830 3.420 1.784 1.00 0.00 C ATOM 372 CG PHE A 29 -15.615 2.230 0.894 1.00 0.00 C ATOM 373 CD1 PHE A 29 -14.410 1.546 0.910 1.00 0.00 C ATOM 374 CD2 PHE A 29 -16.617 1.794 0.043 1.00 0.00 C ATOM 375 CE1 PHE A 29 -14.209 0.450 0.092 1.00 0.00 C ATOM 376 CE2 PHE A 29 -16.422 0.698 -0.777 1.00 0.00 C ATOM 377 CZ PHE A 29 -15.217 0.025 -0.752 1.00 0.00 C ATOM 0 H PHE A 29 -15.849 5.150 -0.731 1.00 0.00 H new ATOM 0 HA PHE A 29 -15.114 5.431 2.039 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -15.389 3.218 2.760 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -16.900 3.559 1.940 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.619 1.873 1.569 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -17.562 2.316 0.020 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.265 -0.074 0.113 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -17.212 0.369 -1.436 1.00 0.00 H new ATOM 0 HZ PHE A 29 -15.062 -0.832 -1.391 1.00 0.00 H new ATOM 387 N VAL A 30 -12.821 4.942 1.269 1.00 0.00 N ATOM 388 CA VAL A 30 -11.456 4.748 0.794 1.00 0.00 C ATOM 389 C VAL A 30 -10.629 3.959 1.803 1.00 0.00 C ATOM 390 O VAL A 30 -10.391 4.418 2.921 1.00 0.00 O ATOM 391 CB VAL A 30 -10.761 6.095 0.519 1.00 0.00 C ATOM 392 CG1 VAL A 30 -10.725 6.945 1.780 1.00 0.00 C ATOM 393 CG2 VAL A 30 -9.356 5.869 -0.021 1.00 0.00 C ATOM 0 H VAL A 30 -12.896 5.489 2.127 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.522 4.184 -0.137 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.335 6.632 -0.236 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.230 7.892 1.566 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -11.743 7.136 2.119 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.176 6.417 2.559 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.880 6.831 -0.210 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.771 5.311 0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.410 5.302 -0.951 1.00 0.00 H new ATOM 403 N LEU A 31 -10.194 2.770 1.402 1.00 0.00 N ATOM 404 CA LEU A 31 -9.393 1.915 2.271 1.00 0.00 C ATOM 405 C LEU A 31 -7.982 2.474 2.433 1.00 0.00 C ATOM 406 O LEU A 31 -7.219 2.545 1.471 1.00 0.00 O ATOM 407 CB LEU A 31 -9.329 0.495 1.706 1.00 0.00 C ATOM 408 CG LEU A 31 -10.668 -0.229 1.559 1.00 0.00 C ATOM 409 CD1 LEU A 31 -10.588 -1.282 0.465 1.00 0.00 C ATOM 410 CD2 LEU A 31 -11.080 -0.861 2.881 1.00 0.00 C ATOM 0 H LEU A 31 -10.382 2.376 0.480 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.869 1.888 3.251 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.851 0.536 0.727 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.684 -0.102 2.351 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.426 0.502 1.276 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.550 -1.787 0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.339 -0.804 -0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.818 -2.011 0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.035 -1.372 2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.322 -1.579 3.193 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.179 -0.085 3.640 1.00 0.00 H new ATOM 422 N GLN A 32 -7.644 2.865 3.658 1.00 0.00 N ATOM 423 CA GLN A 32 -6.324 3.415 3.946 1.00 0.00 C ATOM 424 C GLN A 32 -5.466 2.405 4.700 1.00 0.00 C ATOM 425 O GLN A 32 -5.907 1.817 5.689 1.00 0.00 O ATOM 426 CB GLN A 32 -6.452 4.703 4.761 1.00 0.00 C ATOM 427 CG GLN A 32 -5.137 5.443 4.940 1.00 0.00 C ATOM 428 CD GLN A 32 -5.232 6.565 5.955 1.00 0.00 C ATOM 429 OE1 GLN A 32 -5.364 6.323 7.155 1.00 0.00 O ATOM 430 NE2 GLN A 32 -5.164 7.803 5.478 1.00 0.00 N ATOM 0 H GLN A 32 -8.265 2.811 4.466 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.837 3.641 2.997 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.167 5.364 4.271 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.861 4.463 5.743 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.368 4.738 5.255 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.821 5.852 3.980 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.054 7.958 4.476 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.221 8.598 6.114 1.00 0.00 H new ATOM 439 N CYS A 33 -4.241 2.208 4.228 1.00 0.00 N ATOM 440 CA CYS A 33 -3.321 1.267 4.857 1.00 0.00 C ATOM 441 C CYS A 33 -1.889 1.791 4.808 1.00 0.00 C ATOM 442 O CYS A 33 -1.560 2.652 3.992 1.00 0.00 O ATOM 443 CB CYS A 33 -3.402 -0.096 4.169 1.00 0.00 C ATOM 444 SG CYS A 33 -3.042 -0.052 2.398 1.00 0.00 S ATOM 0 H CYS A 33 -3.861 2.687 3.412 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.612 1.156 5.901 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.703 -0.778 4.654 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.401 -0.506 4.316 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.176 1.164 1.958 1.00 0.00 H new ATOM 450 N SER A 34 -1.041 1.266 5.687 1.00 0.00 N ATOM 451 CA SER A 34 0.354 1.684 5.747 1.00 0.00 C ATOM 452 C SER A 34 1.269 0.611 5.163 1.00 0.00 C ATOM 453 O SER A 34 1.228 -0.548 5.576 1.00 0.00 O ATOM 454 CB SER A 34 0.757 1.982 7.192 1.00 0.00 C ATOM 455 OG SER A 34 0.000 3.057 7.721 1.00 0.00 O ATOM 0 H SER A 34 -1.296 0.550 6.367 1.00 0.00 H new ATOM 0 HA SER A 34 0.461 2.591 5.152 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.609 1.093 7.805 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.819 2.225 7.234 1.00 0.00 H new ATOM 0 HG SER A 34 0.275 3.227 8.646 1.00 0.00 H new ATOM 461 N VAL A 35 2.093 1.007 4.198 1.00 0.00 N ATOM 462 CA VAL A 35 3.019 0.081 3.557 1.00 0.00 C ATOM 463 C VAL A 35 4.385 0.726 3.348 1.00 0.00 C ATOM 464 O VAL A 35 4.499 1.764 2.695 1.00 0.00 O ATOM 465 CB VAL A 35 2.479 -0.402 2.198 1.00 0.00 C ATOM 466 CG1 VAL A 35 2.141 0.782 1.306 1.00 0.00 C ATOM 467 CG2 VAL A 35 3.484 -1.321 1.521 1.00 0.00 C ATOM 0 H VAL A 35 2.138 1.962 3.843 1.00 0.00 H new ATOM 0 HA VAL A 35 3.123 -0.775 4.224 1.00 0.00 H new ATOM 0 HB VAL A 35 1.564 -0.968 2.371 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.761 0.421 0.350 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.382 1.397 1.789 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.038 1.379 1.138 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.086 -1.653 0.562 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.418 -0.783 1.359 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.670 -2.187 2.156 1.00 0.00 H new ATOM 477 N ARG A 36 5.419 0.104 3.905 1.00 0.00 N ATOM 478 CA ARG A 36 6.777 0.618 3.780 1.00 0.00 C ATOM 479 C ARG A 36 7.650 -0.342 2.977 1.00 0.00 C ATOM 480 O ARG A 36 7.237 -1.457 2.663 1.00 0.00 O ATOM 481 CB ARG A 36 7.389 0.845 5.164 1.00 0.00 C ATOM 482 CG ARG A 36 6.527 1.700 6.078 1.00 0.00 C ATOM 483 CD ARG A 36 7.137 1.822 7.466 1.00 0.00 C ATOM 484 NE ARG A 36 8.535 2.243 7.415 1.00 0.00 N ATOM 485 CZ ARG A 36 9.323 2.307 8.482 1.00 0.00 C ATOM 486 NH1 ARG A 36 8.853 1.979 9.678 1.00 0.00 N ATOM 487 NH2 ARG A 36 10.584 2.700 8.355 1.00 0.00 N ATOM 0 H ARG A 36 5.342 -0.757 4.447 1.00 0.00 H new ATOM 0 HA ARG A 36 6.731 1.570 3.250 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.560 -0.121 5.639 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.363 1.320 5.048 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.407 2.692 5.643 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.531 1.263 6.154 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.563 2.540 8.052 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.066 0.863 7.979 1.00 0.00 H new ATOM 0 HE ARG A 36 8.927 2.502 6.510 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.884 1.677 9.780 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.460 2.029 10.496 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.949 2.953 7.437 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.188 2.749 9.175 1.00 0.00 H new ATOM 501 N GLY A 37 8.860 0.101 2.648 1.00 0.00 N ATOM 502 CA GLY A 37 9.771 -0.731 1.884 1.00 0.00 C ATOM 503 C GLY A 37 10.696 0.083 1.000 1.00 0.00 C ATOM 504 O GLY A 37 10.451 1.264 0.752 1.00 0.00 O ATOM 0 H GLY A 37 9.225 1.020 2.897 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.366 -1.336 2.568 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.197 -1.421 1.266 1.00 0.00 H new ATOM 508 N THR A 38 11.765 -0.549 0.525 1.00 0.00 N ATOM 509 CA THR A 38 12.731 0.124 -0.334 1.00 0.00 C ATOM 510 C THR A 38 13.386 -0.857 -1.300 1.00 0.00 C ATOM 511 O THR A 38 13.947 -1.877 -0.900 1.00 0.00 O ATOM 512 CB THR A 38 13.827 0.822 0.493 1.00 0.00 C ATOM 513 OG1 THR A 38 13.316 2.032 1.062 1.00 0.00 O ATOM 514 CG2 THR A 38 15.040 1.134 -0.370 1.00 0.00 C ATOM 0 H THR A 38 11.983 -1.526 0.721 1.00 0.00 H new ATOM 0 HA THR A 38 12.180 0.875 -0.901 1.00 0.00 H new ATOM 0 HB THR A 38 14.133 0.147 1.292 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.345 2.069 0.934 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.801 1.627 0.236 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.445 0.208 -0.777 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.745 1.792 -1.188 1.00 0.00 H new ATOM 522 N PRO A 39 13.315 -0.543 -2.602 1.00 0.00 N ATOM 523 CA PRO A 39 12.649 0.668 -3.089 1.00 0.00 C ATOM 524 C PRO A 39 11.134 0.605 -2.921 1.00 0.00 C ATOM 525 O PRO A 39 10.590 -0.409 -2.484 1.00 0.00 O ATOM 526 CB PRO A 39 13.021 0.705 -4.573 1.00 0.00 C ATOM 527 CG PRO A 39 13.293 -0.715 -4.931 1.00 0.00 C ATOM 528 CD PRO A 39 13.878 -1.348 -3.699 1.00 0.00 C ATOM 0 HA PRO A 39 12.959 1.554 -2.535 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.210 1.116 -5.174 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.896 1.332 -4.746 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.378 -1.223 -5.234 1.00 0.00 H new ATOM 0 HG3 PRO A 39 13.986 -0.780 -5.770 1.00 0.00 H new ATOM 0 HD2 PRO A 39 13.595 -2.397 -3.613 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.967 -1.311 -3.707 1.00 0.00 H new ATOM 536 N VAL A 40 10.458 1.695 -3.271 1.00 0.00 N ATOM 537 CA VAL A 40 9.006 1.762 -3.160 1.00 0.00 C ATOM 538 C VAL A 40 8.346 0.588 -3.874 1.00 0.00 C ATOM 539 O VAL A 40 8.463 0.421 -5.088 1.00 0.00 O ATOM 540 CB VAL A 40 8.459 3.078 -3.746 1.00 0.00 C ATOM 541 CG1 VAL A 40 6.939 3.055 -3.780 1.00 0.00 C ATOM 542 CG2 VAL A 40 8.965 4.268 -2.945 1.00 0.00 C ATOM 0 H VAL A 40 10.893 2.543 -3.634 1.00 0.00 H new ATOM 0 HA VAL A 40 8.767 1.718 -2.097 1.00 0.00 H new ATOM 0 HB VAL A 40 8.820 3.178 -4.770 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.570 3.992 -4.197 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.601 2.224 -4.400 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.554 2.932 -2.768 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.569 5.189 -3.373 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.635 4.177 -1.910 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.054 4.292 -2.977 1.00 0.00 H new ATOM 552 N PRO A 41 7.633 -0.247 -3.103 1.00 0.00 N ATOM 553 CA PRO A 41 6.938 -1.421 -3.640 1.00 0.00 C ATOM 554 C PRO A 41 5.741 -1.041 -4.505 1.00 0.00 C ATOM 555 O PRO A 41 5.098 -0.016 -4.276 1.00 0.00 O ATOM 556 CB PRO A 41 6.476 -2.165 -2.384 1.00 0.00 C ATOM 557 CG PRO A 41 6.373 -1.111 -1.336 1.00 0.00 C ATOM 558 CD PRO A 41 7.450 -0.110 -1.648 1.00 0.00 C ATOM 0 HA PRO A 41 7.581 -2.013 -4.290 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.517 -2.658 -2.546 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.188 -2.939 -2.098 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.389 -0.642 -1.349 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.511 -1.535 -0.341 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.150 0.901 -1.374 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.370 -0.327 -1.105 1.00 0.00 H new ATOM 566 N ARG A 42 5.446 -1.873 -5.498 1.00 0.00 N ATOM 567 CA ARG A 42 4.327 -1.623 -6.398 1.00 0.00 C ATOM 568 C ARG A 42 2.996 -1.859 -5.688 1.00 0.00 C ATOM 569 O ARG A 42 2.828 -2.850 -4.978 1.00 0.00 O ATOM 570 CB ARG A 42 4.425 -2.522 -7.632 1.00 0.00 C ATOM 571 CG ARG A 42 5.376 -1.995 -8.694 1.00 0.00 C ATOM 572 CD ARG A 42 6.811 -2.413 -8.414 1.00 0.00 C ATOM 573 NE ARG A 42 7.751 -1.810 -9.354 1.00 0.00 N ATOM 574 CZ ARG A 42 9.066 -1.993 -9.300 1.00 0.00 C ATOM 575 NH1 ARG A 42 9.593 -2.759 -8.355 1.00 0.00 N ATOM 576 NH2 ARG A 42 9.856 -1.410 -10.192 1.00 0.00 N ATOM 0 H ARG A 42 5.967 -2.727 -5.700 1.00 0.00 H new ATOM 0 HA ARG A 42 4.373 -0.580 -6.713 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.753 -3.515 -7.323 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.433 -2.635 -8.069 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.072 -2.366 -9.673 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.314 -0.907 -8.732 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.080 -2.125 -7.398 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.889 -3.499 -8.469 1.00 0.00 H new ATOM 0 HE ARG A 42 7.378 -1.215 -10.094 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.989 -3.209 -7.668 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.603 -2.898 -8.315 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.454 -0.820 -10.921 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.865 -1.552 -10.149 1.00 0.00 H new ATOM 590 N ILE A 43 2.056 -0.941 -5.886 1.00 0.00 N ATOM 591 CA ILE A 43 0.741 -1.050 -5.265 1.00 0.00 C ATOM 592 C ILE A 43 -0.290 -1.585 -6.253 1.00 0.00 C ATOM 593 O ILE A 43 -0.660 -0.906 -7.211 1.00 0.00 O ATOM 594 CB ILE A 43 0.260 0.309 -4.724 1.00 0.00 C ATOM 595 CG1 ILE A 43 1.381 0.997 -3.942 1.00 0.00 C ATOM 596 CG2 ILE A 43 -0.969 0.124 -3.846 1.00 0.00 C ATOM 597 CD1 ILE A 43 2.045 0.100 -2.921 1.00 0.00 C ATOM 0 H ILE A 43 2.180 -0.114 -6.471 1.00 0.00 H new ATOM 0 HA ILE A 43 0.841 -1.748 -4.434 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.012 0.944 -5.567 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.135 1.356 -4.643 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.975 1.872 -3.435 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.297 1.093 -3.471 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.769 -0.329 -4.431 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.722 -0.525 -3.006 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.829 0.654 -2.405 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.304 -0.238 -2.197 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.481 -0.763 -3.424 1.00 0.00 H new ATOM 609 N THR A 44 -0.753 -2.808 -6.013 1.00 0.00 N ATOM 610 CA THR A 44 -1.742 -3.435 -6.880 1.00 0.00 C ATOM 611 C THR A 44 -2.919 -3.972 -6.073 1.00 0.00 C ATOM 612 O THR A 44 -2.761 -4.878 -5.256 1.00 0.00 O ATOM 613 CB THR A 44 -1.125 -4.587 -7.695 1.00 0.00 C ATOM 614 OG1 THR A 44 -0.078 -4.087 -8.534 1.00 0.00 O ATOM 615 CG2 THR A 44 -2.182 -5.273 -8.548 1.00 0.00 C ATOM 0 H THR A 44 -0.458 -3.384 -5.224 1.00 0.00 H new ATOM 0 HA THR A 44 -2.096 -2.664 -7.565 1.00 0.00 H new ATOM 0 HB THR A 44 -0.714 -5.317 -6.998 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.310 -4.826 -9.048 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.723 -6.083 -9.115 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.963 -5.678 -7.904 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.619 -4.550 -9.237 1.00 0.00 H new ATOM 623 N TRP A 45 -4.098 -3.408 -6.309 1.00 0.00 N ATOM 624 CA TRP A 45 -5.303 -3.831 -5.604 1.00 0.00 C ATOM 625 C TRP A 45 -6.017 -4.942 -6.365 1.00 0.00 C ATOM 626 O TRP A 45 -6.237 -4.838 -7.573 1.00 0.00 O ATOM 627 CB TRP A 45 -6.246 -2.644 -5.405 1.00 0.00 C ATOM 628 CG TRP A 45 -5.679 -1.576 -4.519 1.00 0.00 C ATOM 629 CD1 TRP A 45 -4.752 -0.633 -4.861 1.00 0.00 C ATOM 630 CD2 TRP A 45 -6.001 -1.345 -3.143 1.00 0.00 C ATOM 631 NE1 TRP A 45 -4.478 0.171 -3.781 1.00 0.00 N ATOM 632 CE2 TRP A 45 -5.232 -0.244 -2.715 1.00 0.00 C ATOM 633 CE3 TRP A 45 -6.864 -1.958 -2.231 1.00 0.00 C ATOM 634 CZ2 TRP A 45 -5.302 0.252 -1.416 1.00 0.00 C ATOM 635 CZ3 TRP A 45 -6.932 -1.464 -0.943 1.00 0.00 C ATOM 636 CH2 TRP A 45 -6.156 -0.368 -0.545 1.00 0.00 C ATOM 0 H TRP A 45 -4.246 -2.657 -6.983 1.00 0.00 H new ATOM 0 HA TRP A 45 -5.007 -4.217 -4.629 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -6.484 -2.211 -6.377 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -7.183 -3.001 -4.977 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -4.301 -0.534 -5.837 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -3.820 0.950 -3.774 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -7.467 -2.803 -2.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.704 1.096 -1.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -7.595 -1.931 -0.230 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -6.233 -0.005 0.469 1.00 0.00 H new ATOM 647 N LEU A 46 -6.377 -6.004 -5.654 1.00 0.00 N ATOM 648 CA LEU A 46 -7.068 -7.135 -6.263 1.00 0.00 C ATOM 649 C LEU A 46 -8.386 -7.418 -5.550 1.00 0.00 C ATOM 650 O LEU A 46 -8.412 -7.651 -4.340 1.00 0.00 O ATOM 651 CB LEU A 46 -6.179 -8.380 -6.228 1.00 0.00 C ATOM 652 CG LEU A 46 -4.946 -8.350 -7.132 1.00 0.00 C ATOM 653 CD1 LEU A 46 -3.858 -9.258 -6.580 1.00 0.00 C ATOM 654 CD2 LEU A 46 -5.314 -8.756 -8.551 1.00 0.00 C ATOM 0 H LEU A 46 -6.202 -6.106 -4.654 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.286 -6.879 -7.300 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.848 -8.537 -5.201 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.786 -9.243 -6.503 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.562 -7.330 -7.157 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.988 -9.224 -7.236 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.574 -8.921 -5.583 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.231 -10.281 -6.525 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.424 -8.729 -9.180 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.724 -9.766 -8.546 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.058 -8.065 -8.946 1.00 0.00 H new ATOM 666 N LEU A 47 -9.478 -7.397 -6.305 1.00 0.00 N ATOM 667 CA LEU A 47 -10.801 -7.653 -5.746 1.00 0.00 C ATOM 668 C LEU A 47 -11.486 -8.805 -6.473 1.00 0.00 C ATOM 669 O LEU A 47 -11.427 -8.901 -7.698 1.00 0.00 O ATOM 670 CB LEU A 47 -11.665 -6.394 -5.832 1.00 0.00 C ATOM 671 CG LEU A 47 -13.148 -6.573 -5.505 1.00 0.00 C ATOM 672 CD1 LEU A 47 -13.341 -6.804 -4.014 1.00 0.00 C ATOM 673 CD2 LEU A 47 -13.947 -5.364 -5.967 1.00 0.00 C ATOM 0 H LEU A 47 -9.474 -7.205 -7.307 1.00 0.00 H new ATOM 0 HA LEU A 47 -10.678 -7.931 -4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -11.252 -5.647 -5.154 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -11.582 -5.989 -6.841 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.514 -7.450 -6.039 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.402 -6.929 -3.800 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -12.801 -7.702 -3.712 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.958 -5.947 -3.460 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -15.000 -5.510 -5.726 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -13.579 -4.471 -5.462 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -13.835 -5.244 -7.045 1.00 0.00 H new ATOM 685 N ASN A 48 -12.139 -9.675 -5.710 1.00 0.00 N ATOM 686 CA ASN A 48 -12.838 -10.820 -6.283 1.00 0.00 C ATOM 687 C ASN A 48 -11.899 -11.651 -7.153 1.00 0.00 C ATOM 688 O ASN A 48 -12.335 -12.333 -8.079 1.00 0.00 O ATOM 689 CB ASN A 48 -14.036 -10.351 -7.110 1.00 0.00 C ATOM 690 CG ASN A 48 -15.289 -10.189 -6.271 1.00 0.00 C ATOM 691 OD1 ASN A 48 -15.640 -11.067 -5.482 1.00 0.00 O ATOM 692 ND2 ASN A 48 -15.971 -9.062 -6.439 1.00 0.00 N ATOM 0 H ASN A 48 -12.199 -9.609 -4.694 1.00 0.00 H new ATOM 0 HA ASN A 48 -13.193 -11.445 -5.463 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.796 -9.401 -7.586 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -14.227 -11.069 -7.908 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -16.823 -8.897 -5.903 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -15.643 -8.362 -7.104 1.00 0.00 H new ATOM 699 N GLY A 49 -10.607 -11.589 -6.846 1.00 0.00 N ATOM 700 CA GLY A 49 -9.627 -12.340 -7.609 1.00 0.00 C ATOM 701 C GLY A 49 -9.303 -11.688 -8.939 1.00 0.00 C ATOM 702 O GLY A 49 -8.735 -12.323 -9.826 1.00 0.00 O ATOM 0 H GLY A 49 -10.222 -11.032 -6.083 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.713 -12.438 -7.024 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -10.003 -13.348 -7.784 1.00 0.00 H new ATOM 706 N GLN A 50 -9.667 -10.417 -9.077 1.00 0.00 N ATOM 707 CA GLN A 50 -9.414 -9.680 -10.309 1.00 0.00 C ATOM 708 C GLN A 50 -8.920 -8.269 -10.008 1.00 0.00 C ATOM 709 O GLN A 50 -9.371 -7.615 -9.068 1.00 0.00 O ATOM 710 CB GLN A 50 -10.682 -9.618 -11.161 1.00 0.00 C ATOM 711 CG GLN A 50 -11.564 -8.418 -10.854 1.00 0.00 C ATOM 712 CD GLN A 50 -13.010 -8.640 -11.249 1.00 0.00 C ATOM 713 OE1 GLN A 50 -13.544 -7.944 -12.113 1.00 0.00 O ATOM 714 NE2 GLN A 50 -13.654 -9.615 -10.617 1.00 0.00 N ATOM 0 H GLN A 50 -10.138 -9.877 -8.351 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.637 -10.206 -10.864 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -10.401 -9.592 -12.214 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -11.258 -10.530 -11.007 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -11.512 -8.197 -9.788 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.178 -7.544 -11.379 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -13.173 -10.168 -9.907 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -14.629 -9.811 -10.841 1.00 0.00 H new ATOM 723 N PRO A 51 -7.970 -7.787 -10.823 1.00 0.00 N ATOM 724 CA PRO A 51 -7.394 -6.449 -10.664 1.00 0.00 C ATOM 725 C PRO A 51 -8.388 -5.345 -11.009 1.00 0.00 C ATOM 726 O PRO A 51 -9.214 -5.500 -11.910 1.00 0.00 O ATOM 727 CB PRO A 51 -6.226 -6.445 -11.653 1.00 0.00 C ATOM 728 CG PRO A 51 -6.601 -7.451 -12.686 1.00 0.00 C ATOM 729 CD PRO A 51 -7.386 -8.512 -11.964 1.00 0.00 C ATOM 0 HA PRO A 51 -7.098 -6.253 -9.633 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.084 -5.458 -12.094 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.290 -6.712 -11.162 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.197 -6.995 -13.477 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.715 -7.875 -13.158 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.157 -8.946 -12.602 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.746 -9.331 -11.635 1.00 0.00 H new ATOM 737 N ILE A 52 -8.303 -4.232 -10.289 1.00 0.00 N ATOM 738 CA ILE A 52 -9.195 -3.102 -10.521 1.00 0.00 C ATOM 739 C ILE A 52 -8.531 -2.051 -11.404 1.00 0.00 C ATOM 740 O ILE A 52 -7.684 -1.286 -10.944 1.00 0.00 O ATOM 741 CB ILE A 52 -9.628 -2.446 -9.197 1.00 0.00 C ATOM 742 CG1 ILE A 52 -9.879 -3.514 -8.131 1.00 0.00 C ATOM 743 CG2 ILE A 52 -10.873 -1.597 -9.409 1.00 0.00 C ATOM 744 CD1 ILE A 52 -10.182 -2.943 -6.763 1.00 0.00 C ATOM 0 H ILE A 52 -7.626 -4.088 -9.540 1.00 0.00 H new ATOM 0 HA ILE A 52 -10.077 -3.494 -11.028 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.824 -1.797 -8.850 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -10.712 -4.142 -8.446 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -9.003 -4.159 -8.061 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -11.167 -1.140 -8.464 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.661 -0.816 -10.139 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.684 -2.226 -9.776 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -10.349 -3.757 -6.058 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.340 -2.338 -6.426 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -11.076 -2.321 -6.818 1.00 0.00 H new ATOM 756 N GLN A 53 -8.924 -2.018 -12.673 1.00 0.00 N ATOM 757 CA GLN A 53 -8.368 -1.059 -13.620 1.00 0.00 C ATOM 758 C GLN A 53 -8.890 0.347 -13.341 1.00 0.00 C ATOM 759 O GLN A 53 -8.181 1.333 -13.541 1.00 0.00 O ATOM 760 CB GLN A 53 -8.712 -1.468 -15.054 1.00 0.00 C ATOM 761 CG GLN A 53 -8.148 -2.822 -15.452 1.00 0.00 C ATOM 762 CD GLN A 53 -8.428 -3.168 -16.901 1.00 0.00 C ATOM 763 OE1 GLN A 53 -9.128 -4.137 -17.197 1.00 0.00 O ATOM 764 NE2 GLN A 53 -7.881 -2.375 -17.815 1.00 0.00 N ATOM 0 H GLN A 53 -9.625 -2.644 -13.069 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.285 -1.055 -13.500 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.796 -1.488 -15.167 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.333 -0.710 -15.740 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.071 -2.827 -15.283 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.575 -3.592 -14.810 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.308 -1.583 -17.525 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.034 -2.558 -18.807 1.00 0.00 H new ATOM 773 N TYR A 54 -10.132 0.430 -12.879 1.00 0.00 N ATOM 774 CA TYR A 54 -10.749 1.716 -12.574 1.00 0.00 C ATOM 775 C TYR A 54 -10.576 2.068 -11.100 1.00 0.00 C ATOM 776 O TYR A 54 -11.456 2.670 -10.487 1.00 0.00 O ATOM 777 CB TYR A 54 -12.236 1.688 -12.932 1.00 0.00 C ATOM 778 CG TYR A 54 -13.008 0.595 -12.228 1.00 0.00 C ATOM 779 CD1 TYR A 54 -13.049 -0.695 -12.741 1.00 0.00 C ATOM 780 CD2 TYR A 54 -13.697 0.853 -11.049 1.00 0.00 C ATOM 781 CE1 TYR A 54 -13.753 -1.697 -12.102 1.00 0.00 C ATOM 782 CE2 TYR A 54 -14.403 -0.142 -10.402 1.00 0.00 C ATOM 783 CZ TYR A 54 -14.429 -1.415 -10.932 1.00 0.00 C ATOM 784 OH TYR A 54 -15.131 -2.410 -10.291 1.00 0.00 O ATOM 0 H TYR A 54 -10.732 -0.377 -12.707 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.252 2.480 -13.171 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -12.679 2.652 -12.683 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -12.339 1.558 -14.009 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -12.521 -0.919 -13.656 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -13.680 1.849 -10.632 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -13.774 -2.695 -12.515 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -14.932 0.076 -9.486 1.00 0.00 H new ATOM 0 HH TYR A 54 -15.548 -2.047 -9.482 1.00 0.00 H new ATOM 794 N ALA A 55 -9.433 1.689 -10.538 1.00 0.00 N ATOM 795 CA ALA A 55 -9.141 1.966 -9.138 1.00 0.00 C ATOM 796 C ALA A 55 -8.295 3.227 -8.993 1.00 0.00 C ATOM 797 O ALA A 55 -7.134 3.257 -9.402 1.00 0.00 O ATOM 798 CB ALA A 55 -8.435 0.779 -8.500 1.00 0.00 C ATOM 0 H ALA A 55 -8.694 1.189 -11.032 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.087 2.132 -8.622 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.223 1.001 -7.454 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.075 -0.101 -8.562 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.500 0.586 -9.026 1.00 0.00 H new ATOM 804 N ARG A 56 -8.884 4.265 -8.408 1.00 0.00 N ATOM 805 CA ARG A 56 -8.184 5.529 -8.211 1.00 0.00 C ATOM 806 C ARG A 56 -7.397 5.517 -6.904 1.00 0.00 C ATOM 807 O ARG A 56 -7.695 6.275 -5.981 1.00 0.00 O ATOM 808 CB ARG A 56 -9.178 6.692 -8.210 1.00 0.00 C ATOM 809 CG ARG A 56 -9.810 6.954 -9.567 1.00 0.00 C ATOM 810 CD ARG A 56 -11.117 7.720 -9.434 1.00 0.00 C ATOM 811 NE ARG A 56 -12.053 7.397 -10.507 1.00 0.00 N ATOM 812 CZ ARG A 56 -12.869 6.350 -10.480 1.00 0.00 C ATOM 813 NH1 ARG A 56 -12.865 5.528 -9.440 1.00 0.00 N ATOM 814 NH2 ARG A 56 -13.692 6.122 -11.496 1.00 0.00 N ATOM 0 H ARG A 56 -9.844 4.256 -8.062 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.483 5.660 -9.036 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.966 6.485 -7.486 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.667 7.595 -7.876 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.117 7.520 -10.189 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.992 6.006 -10.074 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.575 7.490 -8.472 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.912 8.791 -9.442 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.082 8.009 -11.322 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.234 5.699 -8.657 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -13.493 4.725 -9.423 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.698 6.751 -12.299 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.318 5.317 -11.474 1.00 0.00 H new ATOM 828 N SER A 57 -6.391 4.650 -6.832 1.00 0.00 N ATOM 829 CA SER A 57 -5.564 4.536 -5.637 1.00 0.00 C ATOM 830 C SER A 57 -4.491 5.620 -5.613 1.00 0.00 C ATOM 831 O SER A 57 -4.081 6.128 -6.658 1.00 0.00 O ATOM 832 CB SER A 57 -4.911 3.154 -5.573 1.00 0.00 C ATOM 833 OG SER A 57 -3.890 3.027 -6.547 1.00 0.00 O ATOM 0 H SER A 57 -6.130 4.017 -7.588 1.00 0.00 H new ATOM 0 HA SER A 57 -6.207 4.667 -4.767 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.493 2.992 -4.580 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.666 2.384 -5.731 1.00 0.00 H new ATOM 0 HG SER A 57 -3.487 2.136 -6.484 1.00 0.00 H new ATOM 839 N THR A 58 -4.039 5.970 -4.413 1.00 0.00 N ATOM 840 CA THR A 58 -3.014 6.994 -4.251 1.00 0.00 C ATOM 841 C THR A 58 -2.091 6.668 -3.083 1.00 0.00 C ATOM 842 O THR A 58 -2.538 6.540 -1.943 1.00 0.00 O ATOM 843 CB THR A 58 -3.639 8.383 -4.024 1.00 0.00 C ATOM 844 OG1 THR A 58 -4.556 8.334 -2.925 1.00 0.00 O ATOM 845 CG2 THR A 58 -4.363 8.862 -5.274 1.00 0.00 C ATOM 0 H THR A 58 -4.367 5.559 -3.539 1.00 0.00 H new ATOM 0 HA THR A 58 -2.435 7.010 -5.174 1.00 0.00 H new ATOM 0 HB THR A 58 -2.837 9.085 -3.797 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.165 7.809 -2.196 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.796 9.845 -5.089 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.656 8.926 -6.102 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.156 8.158 -5.528 1.00 0.00 H new ATOM 853 N CYS A 59 -0.801 6.535 -3.374 1.00 0.00 N ATOM 854 CA CYS A 59 0.186 6.224 -2.347 1.00 0.00 C ATOM 855 C CYS A 59 0.939 7.479 -1.917 1.00 0.00 C ATOM 856 O CYS A 59 1.620 8.111 -2.723 1.00 0.00 O ATOM 857 CB CYS A 59 1.172 5.173 -2.859 1.00 0.00 C ATOM 858 SG CYS A 59 2.030 5.646 -4.379 1.00 0.00 S ATOM 0 H CYS A 59 -0.415 6.638 -4.313 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.342 5.825 -1.481 1.00 0.00 H new ATOM 0 HB2 CYS A 59 1.912 4.976 -2.083 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.635 4.240 -3.032 1.00 0.00 H new ATOM 0 HG CYS A 59 2.193 6.936 -4.402 1.00 0.00 H new ATOM 864 N GLU A 60 0.809 7.834 -0.643 1.00 0.00 N ATOM 865 CA GLU A 60 1.475 9.015 -0.108 1.00 0.00 C ATOM 866 C GLU A 60 2.274 8.669 1.145 1.00 0.00 C ATOM 867 O GLU A 60 1.767 8.017 2.058 1.00 0.00 O ATOM 868 CB GLU A 60 0.449 10.104 0.214 1.00 0.00 C ATOM 869 CG GLU A 60 0.098 10.980 -0.977 1.00 0.00 C ATOM 870 CD GLU A 60 -1.241 11.674 -0.816 1.00 0.00 C ATOM 871 OE1 GLU A 60 -1.531 12.151 0.301 1.00 0.00 O ATOM 872 OE2 GLU A 60 -1.999 11.739 -1.806 1.00 0.00 O ATOM 0 H GLU A 60 0.249 7.321 0.038 1.00 0.00 H new ATOM 0 HA GLU A 60 2.164 9.386 -0.867 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.460 9.635 0.590 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.838 10.733 1.015 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.877 11.730 -1.114 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.080 10.369 -1.880 1.00 0.00 H new ATOM 879 N ALA A 61 3.528 9.109 1.180 1.00 0.00 N ATOM 880 CA ALA A 61 4.398 8.847 2.320 1.00 0.00 C ATOM 881 C ALA A 61 4.265 7.403 2.792 1.00 0.00 C ATOM 882 O ALA A 61 4.181 7.136 3.990 1.00 0.00 O ATOM 883 CB ALA A 61 4.082 9.807 3.457 1.00 0.00 C ATOM 0 H ALA A 61 3.964 9.648 0.432 1.00 0.00 H new ATOM 0 HA ALA A 61 5.429 9.004 2.002 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.739 9.600 4.301 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.236 10.832 3.121 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.044 9.678 3.765 1.00 0.00 H new ATOM 889 N GLY A 62 4.246 6.473 1.841 1.00 0.00 N ATOM 890 CA GLY A 62 4.122 5.068 2.180 1.00 0.00 C ATOM 891 C GLY A 62 2.759 4.726 2.748 1.00 0.00 C ATOM 892 O GLY A 62 2.642 3.882 3.636 1.00 0.00 O ATOM 0 H GLY A 62 4.314 6.668 0.842 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.303 4.465 1.290 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.891 4.803 2.906 1.00 0.00 H new ATOM 896 N VAL A 63 1.724 5.385 2.236 1.00 0.00 N ATOM 897 CA VAL A 63 0.362 5.148 2.698 1.00 0.00 C ATOM 898 C VAL A 63 -0.563 4.813 1.534 1.00 0.00 C ATOM 899 O VAL A 63 -1.207 5.695 0.966 1.00 0.00 O ATOM 900 CB VAL A 63 -0.197 6.371 3.449 1.00 0.00 C ATOM 901 CG1 VAL A 63 -1.640 6.128 3.865 1.00 0.00 C ATOM 902 CG2 VAL A 63 0.668 6.694 4.658 1.00 0.00 C ATOM 0 H VAL A 63 1.803 6.087 1.501 1.00 0.00 H new ATOM 0 HA VAL A 63 0.403 4.299 3.381 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.177 7.229 2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.018 7.003 4.394 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.249 5.949 2.979 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.688 5.258 4.520 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.259 7.561 5.177 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.682 5.839 5.334 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.684 6.914 4.330 1.00 0.00 H new ATOM 912 N ALA A 64 -0.625 3.533 1.183 1.00 0.00 N ATOM 913 CA ALA A 64 -1.473 3.081 0.087 1.00 0.00 C ATOM 914 C ALA A 64 -2.949 3.274 0.420 1.00 0.00 C ATOM 915 O ALA A 64 -3.401 2.915 1.507 1.00 0.00 O ATOM 916 CB ALA A 64 -1.189 1.621 -0.233 1.00 0.00 C ATOM 0 H ALA A 64 -0.098 2.790 1.642 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.243 3.685 -0.791 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.829 1.297 -1.053 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.144 1.508 -0.522 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.390 1.010 0.647 1.00 0.00 H new ATOM 922 N GLU A 65 -3.694 3.843 -0.522 1.00 0.00 N ATOM 923 CA GLU A 65 -5.119 4.084 -0.326 1.00 0.00 C ATOM 924 C GLU A 65 -5.900 3.797 -1.605 1.00 0.00 C ATOM 925 O GLU A 65 -5.378 3.940 -2.711 1.00 0.00 O ATOM 926 CB GLU A 65 -5.358 5.529 0.117 1.00 0.00 C ATOM 927 CG GLU A 65 -4.417 5.992 1.216 1.00 0.00 C ATOM 928 CD GLU A 65 -4.791 7.354 1.769 1.00 0.00 C ATOM 929 OE1 GLU A 65 -5.964 7.534 2.158 1.00 0.00 O ATOM 930 OE2 GLU A 65 -3.912 8.239 1.812 1.00 0.00 O ATOM 0 H GLU A 65 -3.335 4.146 -1.428 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.472 3.409 0.454 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.248 6.187 -0.745 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.386 5.628 0.465 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.422 5.262 2.025 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.400 6.029 0.826 1.00 0.00 H new ATOM 937 N LEU A 66 -7.155 3.390 -1.446 1.00 0.00 N ATOM 938 CA LEU A 66 -8.010 3.081 -2.587 1.00 0.00 C ATOM 939 C LEU A 66 -9.342 3.817 -2.484 1.00 0.00 C ATOM 940 O LEU A 66 -10.270 3.352 -1.821 1.00 0.00 O ATOM 941 CB LEU A 66 -8.252 1.573 -2.674 1.00 0.00 C ATOM 942 CG LEU A 66 -8.988 1.083 -3.922 1.00 0.00 C ATOM 943 CD1 LEU A 66 -8.066 1.114 -5.131 1.00 0.00 C ATOM 944 CD2 LEU A 66 -9.535 -0.320 -3.702 1.00 0.00 C ATOM 0 H LEU A 66 -7.603 3.266 -0.538 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.502 3.414 -3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.288 1.067 -2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.821 1.265 -1.797 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.827 1.753 -4.113 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.606 0.762 -6.010 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.723 2.135 -5.301 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.207 0.468 -4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.056 -0.653 -4.600 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.712 -1.002 -3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.230 -0.312 -2.862 1.00 0.00 H new ATOM 956 N HIS A 67 -9.430 4.966 -3.146 1.00 0.00 N ATOM 957 CA HIS A 67 -10.650 5.765 -3.131 1.00 0.00 C ATOM 958 C HIS A 67 -11.755 5.085 -3.933 1.00 0.00 C ATOM 959 O HIS A 67 -11.695 5.023 -5.161 1.00 0.00 O ATOM 960 CB HIS A 67 -10.378 7.160 -3.697 1.00 0.00 C ATOM 961 CG HIS A 67 -9.493 7.997 -2.826 1.00 0.00 C ATOM 962 ND1 HIS A 67 -9.980 8.870 -1.876 1.00 0.00 N ATOM 963 CD2 HIS A 67 -8.144 8.090 -2.764 1.00 0.00 C ATOM 964 CE1 HIS A 67 -8.969 9.466 -1.269 1.00 0.00 C ATOM 965 NE2 HIS A 67 -7.844 9.009 -1.789 1.00 0.00 N ATOM 0 H HIS A 67 -8.671 5.365 -3.699 1.00 0.00 H new ATOM 0 HA HIS A 67 -10.981 5.858 -2.097 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -9.918 7.061 -4.680 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -11.327 7.677 -3.840 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.436 7.543 -3.369 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.049 10.201 -0.482 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -6.905 9.293 -1.511 1.00 0.00 H new ATOM 974 N ILE A 68 -12.761 4.574 -3.231 1.00 0.00 N ATOM 975 CA ILE A 68 -13.878 3.899 -3.878 1.00 0.00 C ATOM 976 C ILE A 68 -15.175 4.680 -3.692 1.00 0.00 C ATOM 977 O ILE A 68 -15.604 4.929 -2.566 1.00 0.00 O ATOM 978 CB ILE A 68 -14.068 2.472 -3.328 1.00 0.00 C ATOM 979 CG1 ILE A 68 -12.859 1.603 -3.677 1.00 0.00 C ATOM 980 CG2 ILE A 68 -15.346 1.858 -3.880 1.00 0.00 C ATOM 981 CD1 ILE A 68 -12.599 1.497 -5.163 1.00 0.00 C ATOM 0 H ILE A 68 -12.825 4.615 -2.214 1.00 0.00 H new ATOM 0 HA ILE A 68 -13.640 3.842 -4.940 1.00 0.00 H new ATOM 0 HB ILE A 68 -14.153 2.524 -2.243 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -11.974 2.013 -3.190 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -13.011 0.603 -3.271 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -15.467 0.850 -3.483 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -16.200 2.469 -3.586 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -15.289 1.815 -4.968 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.727 0.866 -5.336 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -13.468 1.058 -5.654 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.414 2.490 -5.572 1.00 0.00 H new ATOM 993 N GLN A 69 -15.794 5.061 -4.805 1.00 0.00 N ATOM 994 CA GLN A 69 -17.043 5.813 -4.764 1.00 0.00 C ATOM 995 C GLN A 69 -18.195 4.985 -5.324 1.00 0.00 C ATOM 996 O GLN A 69 -17.979 4.012 -6.047 1.00 0.00 O ATOM 997 CB GLN A 69 -16.904 7.115 -5.555 1.00 0.00 C ATOM 998 CG GLN A 69 -16.675 6.903 -7.042 1.00 0.00 C ATOM 999 CD GLN A 69 -16.280 8.178 -7.760 1.00 0.00 C ATOM 1000 OE1 GLN A 69 -17.091 8.791 -8.454 1.00 0.00 O ATOM 1001 NE2 GLN A 69 -15.026 8.585 -7.596 1.00 0.00 N ATOM 0 H GLN A 69 -15.452 4.862 -5.745 1.00 0.00 H new ATOM 0 HA GLN A 69 -17.262 6.050 -3.723 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -17.805 7.712 -5.416 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.074 7.691 -5.147 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -15.895 6.155 -7.182 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -17.584 6.504 -7.492 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -14.387 8.046 -7.012 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -14.702 9.437 -8.055 1.00 0.00 H new ATOM 1010 N ASP A 70 -19.418 5.377 -4.984 1.00 0.00 N ATOM 1011 CA ASP A 70 -20.605 4.671 -5.453 1.00 0.00 C ATOM 1012 C ASP A 70 -20.580 3.211 -5.010 1.00 0.00 C ATOM 1013 O ASP A 70 -20.838 2.307 -5.804 1.00 0.00 O ATOM 1014 CB ASP A 70 -20.704 4.753 -6.977 1.00 0.00 C ATOM 1015 CG ASP A 70 -21.406 6.013 -7.444 1.00 0.00 C ATOM 1016 OD1 ASP A 70 -22.648 5.986 -7.573 1.00 0.00 O ATOM 1017 OD2 ASP A 70 -20.714 7.025 -7.682 1.00 0.00 O ATOM 0 H ASP A 70 -19.613 6.180 -4.386 1.00 0.00 H new ATOM 0 HA ASP A 70 -21.480 5.150 -5.013 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -19.702 4.718 -7.406 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -21.241 3.881 -7.351 1.00 0.00 H new ATOM 1022 N ALA A 71 -20.265 2.989 -3.738 1.00 0.00 N ATOM 1023 CA ALA A 71 -20.207 1.640 -3.190 1.00 0.00 C ATOM 1024 C ALA A 71 -21.439 0.833 -3.586 1.00 0.00 C ATOM 1025 O ALA A 71 -22.493 0.940 -2.958 1.00 0.00 O ATOM 1026 CB ALA A 71 -20.073 1.691 -1.675 1.00 0.00 C ATOM 0 H ALA A 71 -20.046 3.726 -3.068 1.00 0.00 H new ATOM 0 HA ALA A 71 -19.330 1.143 -3.605 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -20.031 0.676 -1.279 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -19.160 2.223 -1.408 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -20.932 2.210 -1.251 1.00 0.00 H new ATOM 1032 N LEU A 72 -21.299 0.026 -4.632 1.00 0.00 N ATOM 1033 CA LEU A 72 -22.401 -0.800 -5.114 1.00 0.00 C ATOM 1034 C LEU A 72 -22.379 -2.175 -4.455 1.00 0.00 C ATOM 1035 O LEU A 72 -21.342 -2.654 -3.995 1.00 0.00 O ATOM 1036 CB LEU A 72 -22.326 -0.949 -6.634 1.00 0.00 C ATOM 1037 CG LEU A 72 -22.822 0.244 -7.451 1.00 0.00 C ATOM 1038 CD1 LEU A 72 -22.288 0.176 -8.874 1.00 0.00 C ATOM 1039 CD2 LEU A 72 -24.343 0.294 -7.453 1.00 0.00 C ATOM 0 H LEU A 72 -20.434 -0.074 -5.163 1.00 0.00 H new ATOM 0 HA LEU A 72 -23.336 -0.306 -4.850 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -21.290 -1.146 -6.909 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -22.905 -1.827 -6.922 1.00 0.00 H new ATOM 0 HG LEU A 72 -22.449 1.157 -6.987 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -22.652 1.033 -9.440 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -21.198 0.190 -8.855 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -22.631 -0.744 -9.348 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -24.678 1.150 -8.039 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -24.737 -0.623 -7.891 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -24.705 0.391 -6.430 1.00 0.00 H new ATOM 1051 N PRO A 73 -23.550 -2.828 -4.408 1.00 0.00 N ATOM 1052 CA PRO A 73 -23.691 -4.159 -3.810 1.00 0.00 C ATOM 1053 C PRO A 73 -23.008 -5.242 -4.638 1.00 0.00 C ATOM 1054 O PRO A 73 -22.988 -6.410 -4.252 1.00 0.00 O ATOM 1055 CB PRO A 73 -25.206 -4.379 -3.787 1.00 0.00 C ATOM 1056 CG PRO A 73 -25.730 -3.518 -4.884 1.00 0.00 C ATOM 1057 CD PRO A 73 -24.826 -2.317 -4.936 1.00 0.00 C ATOM 0 HA PRO A 73 -23.223 -4.216 -2.827 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -25.456 -5.427 -3.952 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -25.632 -4.097 -2.824 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -25.725 -4.051 -5.835 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -26.761 -3.222 -4.689 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -24.718 -1.939 -5.953 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -25.212 -1.497 -4.331 1.00 0.00 H new ATOM 1065 N GLU A 74 -22.450 -4.846 -5.778 1.00 0.00 N ATOM 1066 CA GLU A 74 -21.767 -5.784 -6.660 1.00 0.00 C ATOM 1067 C GLU A 74 -20.255 -5.587 -6.599 1.00 0.00 C ATOM 1068 O GLU A 74 -19.498 -6.300 -7.257 1.00 0.00 O ATOM 1069 CB GLU A 74 -22.257 -5.614 -8.100 1.00 0.00 C ATOM 1070 CG GLU A 74 -21.797 -4.320 -8.750 1.00 0.00 C ATOM 1071 CD GLU A 74 -22.040 -4.301 -10.247 1.00 0.00 C ATOM 1072 OE1 GLU A 74 -23.178 -3.996 -10.660 1.00 0.00 O ATOM 1073 OE2 GLU A 74 -21.090 -4.591 -11.005 1.00 0.00 O ATOM 0 H GLU A 74 -22.458 -3.882 -6.112 1.00 0.00 H new ATOM 0 HA GLU A 74 -21.998 -6.794 -6.322 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -21.905 -6.456 -8.697 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -23.346 -5.649 -8.111 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -22.319 -3.481 -8.290 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -20.734 -4.178 -8.556 1.00 0.00 H new ATOM 1080 N ASP A 75 -19.824 -4.614 -5.804 1.00 0.00 N ATOM 1081 CA ASP A 75 -18.403 -4.322 -5.655 1.00 0.00 C ATOM 1082 C ASP A 75 -17.845 -4.967 -4.391 1.00 0.00 C ATOM 1083 O ASP A 75 -16.643 -5.213 -4.285 1.00 0.00 O ATOM 1084 CB ASP A 75 -18.173 -2.810 -5.615 1.00 0.00 C ATOM 1085 CG ASP A 75 -18.106 -2.198 -7.000 1.00 0.00 C ATOM 1086 OD1 ASP A 75 -19.164 -2.096 -7.655 1.00 0.00 O ATOM 1087 OD2 ASP A 75 -16.996 -1.820 -7.430 1.00 0.00 O ATOM 0 H ASP A 75 -20.438 -4.014 -5.253 1.00 0.00 H new ATOM 0 HA ASP A 75 -17.880 -4.739 -6.515 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -18.977 -2.338 -5.051 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -17.245 -2.601 -5.083 1.00 0.00 H new ATOM 1092 N HIS A 76 -18.725 -5.238 -3.433 1.00 0.00 N ATOM 1093 CA HIS A 76 -18.320 -5.855 -2.174 1.00 0.00 C ATOM 1094 C HIS A 76 -17.688 -7.222 -2.418 1.00 0.00 C ATOM 1095 O HIS A 76 -18.255 -8.065 -3.111 1.00 0.00 O ATOM 1096 CB HIS A 76 -19.523 -5.996 -1.241 1.00 0.00 C ATOM 1097 CG HIS A 76 -20.290 -7.267 -1.440 1.00 0.00 C ATOM 1098 ND1 HIS A 76 -20.980 -7.557 -2.598 1.00 0.00 N ATOM 1099 CD2 HIS A 76 -20.471 -8.329 -0.620 1.00 0.00 C ATOM 1100 CE1 HIS A 76 -21.554 -8.741 -2.481 1.00 0.00 C ATOM 1101 NE2 HIS A 76 -21.261 -9.231 -1.290 1.00 0.00 N ATOM 0 H HIS A 76 -19.723 -5.040 -3.504 1.00 0.00 H new ATOM 0 HA HIS A 76 -17.578 -5.210 -1.703 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -19.179 -5.947 -0.208 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -20.192 -5.150 -1.394 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -21.038 -6.952 -3.417 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -20.069 -8.445 0.376 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -22.160 -9.226 -3.232 1.00 0.00 H new ATOM 1110 N GLY A 77 -16.507 -7.434 -1.844 1.00 0.00 N ATOM 1111 CA GLY A 77 -15.817 -8.699 -2.012 1.00 0.00 C ATOM 1112 C GLY A 77 -14.623 -8.835 -1.088 1.00 0.00 C ATOM 1113 O GLY A 77 -14.752 -8.705 0.130 1.00 0.00 O ATOM 0 H GLY A 77 -16.016 -6.752 -1.266 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -16.513 -9.517 -1.824 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.485 -8.794 -3.046 1.00 0.00 H new ATOM 1117 N THR A 78 -13.456 -9.100 -1.666 1.00 0.00 N ATOM 1118 CA THR A 78 -12.234 -9.258 -0.886 1.00 0.00 C ATOM 1119 C THR A 78 -11.084 -8.468 -1.501 1.00 0.00 C ATOM 1120 O THR A 78 -10.452 -8.917 -2.458 1.00 0.00 O ATOM 1121 CB THR A 78 -11.825 -10.738 -0.776 1.00 0.00 C ATOM 1122 OG1 THR A 78 -12.799 -11.461 -0.016 1.00 0.00 O ATOM 1123 CG2 THR A 78 -10.459 -10.875 -0.120 1.00 0.00 C ATOM 0 H THR A 78 -13.331 -9.210 -2.672 1.00 0.00 H new ATOM 0 HA THR A 78 -12.443 -8.872 0.112 1.00 0.00 H new ATOM 0 HB THR A 78 -11.770 -11.152 -1.783 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.532 -12.402 0.048 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.192 -11.930 -0.053 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.714 -10.349 -0.717 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.491 -10.445 0.881 1.00 0.00 H new ATOM 1131 N TYR A 79 -10.817 -7.292 -0.946 1.00 0.00 N ATOM 1132 CA TYR A 79 -9.743 -6.439 -1.441 1.00 0.00 C ATOM 1133 C TYR A 79 -8.384 -6.943 -0.965 1.00 0.00 C ATOM 1134 O TYR A 79 -8.223 -7.335 0.192 1.00 0.00 O ATOM 1135 CB TYR A 79 -9.955 -4.996 -0.979 1.00 0.00 C ATOM 1136 CG TYR A 79 -11.064 -4.281 -1.718 1.00 0.00 C ATOM 1137 CD1 TYR A 79 -12.396 -4.487 -1.381 1.00 0.00 C ATOM 1138 CD2 TYR A 79 -10.779 -3.398 -2.752 1.00 0.00 C ATOM 1139 CE1 TYR A 79 -13.412 -3.836 -2.054 1.00 0.00 C ATOM 1140 CE2 TYR A 79 -11.788 -2.741 -3.430 1.00 0.00 C ATOM 1141 CZ TYR A 79 -13.103 -2.964 -3.077 1.00 0.00 C ATOM 1142 OH TYR A 79 -14.112 -2.313 -3.749 1.00 0.00 O ATOM 0 H TYR A 79 -11.330 -6.907 -0.153 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.761 -6.471 -2.530 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.180 -4.994 0.087 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.026 -4.441 -1.110 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -12.641 -5.168 -0.579 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -9.751 -3.222 -3.031 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -14.442 -4.009 -1.781 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.549 -2.057 -4.231 1.00 0.00 H new ATOM 0 HH TYR A 79 -13.725 -1.735 -4.439 1.00 0.00 H new ATOM 1152 N THR A 80 -7.406 -6.928 -1.865 1.00 0.00 N ATOM 1153 CA THR A 80 -6.060 -7.383 -1.539 1.00 0.00 C ATOM 1154 C THR A 80 -5.007 -6.457 -2.137 1.00 0.00 C ATOM 1155 O THR A 80 -4.883 -6.349 -3.358 1.00 0.00 O ATOM 1156 CB THR A 80 -5.814 -8.817 -2.046 1.00 0.00 C ATOM 1157 OG1 THR A 80 -6.611 -9.743 -1.300 1.00 0.00 O ATOM 1158 CG2 THR A 80 -4.344 -9.189 -1.922 1.00 0.00 C ATOM 0 H THR A 80 -7.521 -6.606 -2.826 1.00 0.00 H new ATOM 0 HA THR A 80 -5.976 -7.370 -0.452 1.00 0.00 H new ATOM 0 HB THR A 80 -6.096 -8.861 -3.098 1.00 0.00 H new ATOM 0 HG1 THR A 80 -6.450 -10.652 -1.629 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.194 -10.205 -2.286 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.743 -8.499 -2.514 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.040 -9.129 -0.877 1.00 0.00 H new ATOM 1166 N CYS A 81 -4.251 -5.792 -1.271 1.00 0.00 N ATOM 1167 CA CYS A 81 -3.207 -4.874 -1.714 1.00 0.00 C ATOM 1168 C CYS A 81 -1.851 -5.571 -1.754 1.00 0.00 C ATOM 1169 O CYS A 81 -1.238 -5.818 -0.714 1.00 0.00 O ATOM 1170 CB CYS A 81 -3.143 -3.658 -0.790 1.00 0.00 C ATOM 1171 SG CYS A 81 -1.826 -2.488 -1.200 1.00 0.00 S ATOM 0 H CYS A 81 -4.341 -5.871 -0.258 1.00 0.00 H new ATOM 0 HA CYS A 81 -3.453 -4.542 -2.722 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -4.100 -3.138 -0.825 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -3.004 -4.001 0.235 1.00 0.00 H new ATOM 0 HG CYS A 81 -1.854 -1.493 -0.364 1.00 0.00 H new ATOM 1177 N LEU A 82 -1.390 -5.888 -2.958 1.00 0.00 N ATOM 1178 CA LEU A 82 -0.106 -6.559 -3.134 1.00 0.00 C ATOM 1179 C LEU A 82 1.035 -5.547 -3.184 1.00 0.00 C ATOM 1180 O LEU A 82 1.019 -4.620 -3.993 1.00 0.00 O ATOM 1181 CB LEU A 82 -0.117 -7.397 -4.413 1.00 0.00 C ATOM 1182 CG LEU A 82 1.228 -7.985 -4.842 1.00 0.00 C ATOM 1183 CD1 LEU A 82 1.735 -8.972 -3.801 1.00 0.00 C ATOM 1184 CD2 LEU A 82 1.108 -8.656 -6.202 1.00 0.00 C ATOM 0 H LEU A 82 -1.886 -5.692 -3.828 1.00 0.00 H new ATOM 0 HA LEU A 82 0.053 -7.216 -2.279 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.823 -8.216 -4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.496 -6.778 -5.226 1.00 0.00 H new ATOM 0 HG LEU A 82 1.949 -7.172 -4.924 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.693 -9.380 -4.123 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.861 -8.461 -2.846 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.015 -9.782 -3.687 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.075 -9.068 -6.491 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.372 -9.459 -6.148 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.791 -7.922 -6.943 1.00 0.00 H new ATOM 1196 N ALA A 83 2.023 -5.734 -2.316 1.00 0.00 N ATOM 1197 CA ALA A 83 3.174 -4.841 -2.265 1.00 0.00 C ATOM 1198 C ALA A 83 4.481 -5.626 -2.309 1.00 0.00 C ATOM 1199 O ALA A 83 4.916 -6.181 -1.301 1.00 0.00 O ATOM 1200 CB ALA A 83 3.117 -3.978 -1.013 1.00 0.00 C ATOM 0 H ALA A 83 2.050 -6.496 -1.638 1.00 0.00 H new ATOM 0 HA ALA A 83 3.140 -4.194 -3.142 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.983 -3.316 -0.988 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.204 -3.382 -1.023 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.123 -4.617 -0.130 1.00 0.00 H new ATOM 1206 N GLU A 84 5.102 -5.667 -3.484 1.00 0.00 N ATOM 1207 CA GLU A 84 6.358 -6.386 -3.658 1.00 0.00 C ATOM 1208 C GLU A 84 7.392 -5.511 -4.361 1.00 0.00 C ATOM 1209 O GLU A 84 7.046 -4.652 -5.171 1.00 0.00 O ATOM 1210 CB GLU A 84 6.130 -7.669 -4.460 1.00 0.00 C ATOM 1211 CG GLU A 84 5.898 -7.428 -5.942 1.00 0.00 C ATOM 1212 CD GLU A 84 5.712 -8.716 -6.720 1.00 0.00 C ATOM 1213 OE1 GLU A 84 4.858 -9.533 -6.318 1.00 0.00 O ATOM 1214 OE2 GLU A 84 6.420 -8.906 -7.731 1.00 0.00 O ATOM 0 H GLU A 84 4.756 -5.211 -4.328 1.00 0.00 H new ATOM 0 HA GLU A 84 6.738 -6.646 -2.670 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.994 -8.322 -4.338 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.270 -8.197 -4.048 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.017 -6.800 -6.071 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.744 -6.878 -6.354 1.00 0.00 H new ATOM 1221 N ASN A 85 8.663 -5.737 -4.045 1.00 0.00 N ATOM 1222 CA ASN A 85 9.748 -4.969 -4.644 1.00 0.00 C ATOM 1223 C ASN A 85 10.859 -5.891 -5.138 1.00 0.00 C ATOM 1224 O ASN A 85 10.726 -7.114 -5.104 1.00 0.00 O ATOM 1225 CB ASN A 85 10.312 -3.968 -3.633 1.00 0.00 C ATOM 1226 CG ASN A 85 10.983 -4.651 -2.457 1.00 0.00 C ATOM 1227 OD1 ASN A 85 11.163 -5.868 -2.452 1.00 0.00 O ATOM 1228 ND2 ASN A 85 11.356 -3.866 -1.452 1.00 0.00 N ATOM 0 H ASN A 85 8.967 -6.446 -3.377 1.00 0.00 H new ATOM 0 HA ASN A 85 9.345 -4.424 -5.498 1.00 0.00 H new ATOM 0 HB2 ASN A 85 11.032 -3.318 -4.131 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.506 -3.331 -3.268 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.812 -4.268 -0.633 1.00 0.00 H new ATOM 0 HD22 ASN A 85 11.186 -2.861 -1.500 1.00 0.00 H new ATOM 1235 N ALA A 86 11.956 -5.295 -5.595 1.00 0.00 N ATOM 1236 CA ALA A 86 13.091 -6.062 -6.093 1.00 0.00 C ATOM 1237 C ALA A 86 13.765 -6.838 -4.967 1.00 0.00 C ATOM 1238 O ALA A 86 14.715 -7.588 -5.198 1.00 0.00 O ATOM 1239 CB ALA A 86 14.091 -5.142 -6.776 1.00 0.00 C ATOM 0 H ALA A 86 12.082 -4.283 -5.630 1.00 0.00 H new ATOM 0 HA ALA A 86 12.720 -6.781 -6.823 1.00 0.00 H new ATOM 0 HB1 ALA A 86 14.933 -5.728 -7.143 1.00 0.00 H new ATOM 0 HB2 ALA A 86 13.608 -4.637 -7.613 1.00 0.00 H new ATOM 0 HB3 ALA A 86 14.449 -4.400 -6.062 1.00 0.00 H new ATOM 1245 N LEU A 87 13.270 -6.653 -3.748 1.00 0.00 N ATOM 1246 CA LEU A 87 13.826 -7.336 -2.585 1.00 0.00 C ATOM 1247 C LEU A 87 12.901 -8.455 -2.117 1.00 0.00 C ATOM 1248 O LEU A 87 13.163 -9.632 -2.358 1.00 0.00 O ATOM 1249 CB LEU A 87 14.057 -6.340 -1.447 1.00 0.00 C ATOM 1250 CG LEU A 87 15.403 -5.614 -1.453 1.00 0.00 C ATOM 1251 CD1 LEU A 87 15.315 -4.334 -2.269 1.00 0.00 C ATOM 1252 CD2 LEU A 87 15.852 -5.312 -0.031 1.00 0.00 C ATOM 0 H LEU A 87 12.485 -6.036 -3.539 1.00 0.00 H new ATOM 0 HA LEU A 87 14.780 -7.776 -2.874 1.00 0.00 H new ATOM 0 HB2 LEU A 87 13.264 -5.593 -1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 87 13.958 -6.871 -0.500 1.00 0.00 H new ATOM 0 HG LEU A 87 16.144 -6.266 -1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 87 16.282 -3.831 -2.262 1.00 0.00 H new ATOM 0 HD12 LEU A 87 15.039 -4.575 -3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 87 14.561 -3.677 -1.835 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.811 -4.795 -0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 87 15.111 -4.679 0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 87 15.956 -6.245 0.524 1.00 0.00 H new ATOM 1264 N GLY A 88 11.815 -8.078 -1.448 1.00 0.00 N ATOM 1265 CA GLY A 88 10.867 -9.061 -0.958 1.00 0.00 C ATOM 1266 C GLY A 88 9.493 -8.901 -1.579 1.00 0.00 C ATOM 1267 O GLY A 88 9.341 -8.226 -2.598 1.00 0.00 O ATOM 0 H GLY A 88 11.575 -7.109 -1.237 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.244 -10.062 -1.170 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.785 -8.974 0.125 1.00 0.00 H new ATOM 1271 N GLN A 89 8.492 -9.523 -0.966 1.00 0.00 N ATOM 1272 CA GLN A 89 7.125 -9.448 -1.467 1.00 0.00 C ATOM 1273 C GLN A 89 6.123 -9.788 -0.369 1.00 0.00 C ATOM 1274 O GLN A 89 6.273 -10.787 0.334 1.00 0.00 O ATOM 1275 CB GLN A 89 6.941 -10.395 -2.654 1.00 0.00 C ATOM 1276 CG GLN A 89 6.868 -11.861 -2.256 1.00 0.00 C ATOM 1277 CD GLN A 89 6.554 -12.769 -3.429 1.00 0.00 C ATOM 1278 OE1 GLN A 89 7.279 -13.727 -3.698 1.00 0.00 O ATOM 1279 NE2 GLN A 89 5.470 -12.471 -4.135 1.00 0.00 N ATOM 0 H GLN A 89 8.602 -10.085 -0.122 1.00 0.00 H new ATOM 0 HA GLN A 89 6.942 -8.425 -1.796 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.028 -10.125 -3.185 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.768 -10.257 -3.350 1.00 0.00 H new ATOM 0 HG2 GLN A 89 7.818 -12.161 -1.813 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.104 -11.988 -1.489 1.00 0.00 H new ATOM 0 HE21 GLN A 89 4.898 -11.667 -3.876 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.209 -13.046 -4.936 1.00 0.00 H new ATOM 1288 N VAL A 90 5.100 -8.952 -0.228 1.00 0.00 N ATOM 1289 CA VAL A 90 4.072 -9.165 0.784 1.00 0.00 C ATOM 1290 C VAL A 90 2.694 -8.783 0.256 1.00 0.00 C ATOM 1291 O VAL A 90 2.562 -7.878 -0.568 1.00 0.00 O ATOM 1292 CB VAL A 90 4.364 -8.353 2.060 1.00 0.00 C ATOM 1293 CG1 VAL A 90 5.756 -8.668 2.587 1.00 0.00 C ATOM 1294 CG2 VAL A 90 4.212 -6.864 1.790 1.00 0.00 C ATOM 0 H VAL A 90 4.961 -8.120 -0.802 1.00 0.00 H new ATOM 0 HA VAL A 90 4.083 -10.227 1.028 1.00 0.00 H new ATOM 0 HB VAL A 90 3.640 -8.637 2.824 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.944 -8.085 3.489 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.825 -9.730 2.821 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.498 -8.415 1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.422 -6.306 2.702 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.912 -6.562 1.011 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.193 -6.656 1.463 1.00 0.00 H new ATOM 1304 N SER A 91 1.668 -9.478 0.738 1.00 0.00 N ATOM 1305 CA SER A 91 0.299 -9.214 0.313 1.00 0.00 C ATOM 1306 C SER A 91 -0.667 -9.331 1.488 1.00 0.00 C ATOM 1307 O SER A 91 -0.502 -10.186 2.359 1.00 0.00 O ATOM 1308 CB SER A 91 -0.110 -10.186 -0.796 1.00 0.00 C ATOM 1309 OG SER A 91 -0.135 -11.520 -0.321 1.00 0.00 O ATOM 0 H SER A 91 1.760 -10.228 1.423 1.00 0.00 H new ATOM 0 HA SER A 91 0.255 -8.195 -0.072 1.00 0.00 H new ATOM 0 HB2 SER A 91 -1.094 -9.914 -1.178 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.588 -10.106 -1.629 1.00 0.00 H new ATOM 0 HG SER A 91 -0.401 -12.121 -1.048 1.00 0.00 H new ATOM 1315 N CYS A 92 -1.675 -8.465 1.505 1.00 0.00 N ATOM 1316 CA CYS A 92 -2.668 -8.469 2.573 1.00 0.00 C ATOM 1317 C CYS A 92 -4.082 -8.439 2.001 1.00 0.00 C ATOM 1318 O CYS A 92 -4.313 -7.897 0.921 1.00 0.00 O ATOM 1319 CB CYS A 92 -2.454 -7.273 3.501 1.00 0.00 C ATOM 1320 SG CYS A 92 -3.934 -6.771 4.412 1.00 0.00 S ATOM 0 H CYS A 92 -1.826 -7.752 0.792 1.00 0.00 H new ATOM 0 HA CYS A 92 -2.547 -9.389 3.145 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -1.667 -7.517 4.214 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -2.099 -6.428 2.911 1.00 0.00 H new ATOM 0 HG CYS A 92 -4.355 -5.627 3.960 1.00 0.00 H new ATOM 1326 N SER A 93 -5.024 -9.025 2.733 1.00 0.00 N ATOM 1327 CA SER A 93 -6.414 -9.070 2.296 1.00 0.00 C ATOM 1328 C SER A 93 -7.326 -8.395 3.316 1.00 0.00 C ATOM 1329 O SER A 93 -6.965 -8.241 4.482 1.00 0.00 O ATOM 1330 CB SER A 93 -6.856 -10.519 2.080 1.00 0.00 C ATOM 1331 OG SER A 93 -6.742 -11.271 3.276 1.00 0.00 O ATOM 0 H SER A 93 -4.850 -9.475 3.632 1.00 0.00 H new ATOM 0 HA SER A 93 -6.490 -8.530 1.352 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.888 -10.539 1.731 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.247 -10.976 1.300 1.00 0.00 H new ATOM 0 HG SER A 93 -7.032 -12.193 3.112 1.00 0.00 H new ATOM 1337 N ALA A 94 -8.510 -7.993 2.867 1.00 0.00 N ATOM 1338 CA ALA A 94 -9.475 -7.335 3.739 1.00 0.00 C ATOM 1339 C ALA A 94 -10.901 -7.748 3.390 1.00 0.00 C ATOM 1340 O ALA A 94 -11.187 -8.125 2.253 1.00 0.00 O ATOM 1341 CB ALA A 94 -9.325 -5.824 3.649 1.00 0.00 C ATOM 0 H ALA A 94 -8.824 -8.112 1.904 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.273 -7.648 4.763 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -10.052 -5.346 4.306 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.318 -5.539 3.955 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.497 -5.502 2.622 1.00 0.00 H new ATOM 1347 N TRP A 95 -11.791 -7.676 4.373 1.00 0.00 N ATOM 1348 CA TRP A 95 -13.187 -8.043 4.169 1.00 0.00 C ATOM 1349 C TRP A 95 -14.097 -6.829 4.319 1.00 0.00 C ATOM 1350 O TRP A 95 -14.383 -6.389 5.433 1.00 0.00 O ATOM 1351 CB TRP A 95 -13.600 -9.131 5.162 1.00 0.00 C ATOM 1352 CG TRP A 95 -14.999 -9.627 4.952 1.00 0.00 C ATOM 1353 CD1 TRP A 95 -16.136 -9.142 5.532 1.00 0.00 C ATOM 1354 CD2 TRP A 95 -15.407 -10.706 4.104 1.00 0.00 C ATOM 1355 NE1 TRP A 95 -17.227 -9.854 5.096 1.00 0.00 N ATOM 1356 CE2 TRP A 95 -16.807 -10.818 4.218 1.00 0.00 C ATOM 1357 CE3 TRP A 95 -14.728 -11.586 3.257 1.00 0.00 C ATOM 1358 CZ2 TRP A 95 -17.536 -11.777 3.519 1.00 0.00 C ATOM 1359 CZ3 TRP A 95 -15.453 -12.536 2.564 1.00 0.00 C ATOM 1360 CH2 TRP A 95 -16.845 -12.625 2.697 1.00 0.00 C ATOM 0 H TRP A 95 -11.570 -7.367 5.320 1.00 0.00 H new ATOM 0 HA TRP A 95 -13.291 -8.428 3.155 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -12.909 -9.970 5.079 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -13.509 -8.741 6.176 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -16.172 -8.319 6.231 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -18.193 -9.691 5.380 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -13.655 -11.524 3.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -18.609 -11.849 3.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -14.938 -13.222 1.908 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -17.383 -13.378 2.140 1.00 0.00 H new ATOM 1371 N VAL A 96 -14.550 -6.290 3.192 1.00 0.00 N ATOM 1372 CA VAL A 96 -15.429 -5.127 3.198 1.00 0.00 C ATOM 1373 C VAL A 96 -16.883 -5.536 2.994 1.00 0.00 C ATOM 1374 O VAL A 96 -17.175 -6.502 2.288 1.00 0.00 O ATOM 1375 CB VAL A 96 -15.032 -4.118 2.105 1.00 0.00 C ATOM 1376 CG1 VAL A 96 -16.091 -3.034 1.969 1.00 0.00 C ATOM 1377 CG2 VAL A 96 -13.672 -3.509 2.409 1.00 0.00 C ATOM 0 H VAL A 96 -14.322 -6.641 2.262 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.322 -4.654 4.174 1.00 0.00 H new ATOM 0 HB VAL A 96 -14.963 -4.648 1.155 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -15.793 -2.330 1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -17.045 -3.489 1.701 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -16.195 -2.506 2.917 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -13.408 -2.798 1.626 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.710 -2.993 3.369 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -12.921 -4.298 2.451 1.00 0.00 H new ATOM 1387 N THR A 97 -17.794 -4.794 3.617 1.00 0.00 N ATOM 1388 CA THR A 97 -19.218 -5.080 3.505 1.00 0.00 C ATOM 1389 C THR A 97 -19.985 -3.861 3.005 1.00 0.00 C ATOM 1390 O THR A 97 -19.786 -2.747 3.490 1.00 0.00 O ATOM 1391 CB THR A 97 -19.810 -5.526 4.855 1.00 0.00 C ATOM 1392 OG1 THR A 97 -19.114 -4.886 5.931 1.00 0.00 O ATOM 1393 CG2 THR A 97 -19.720 -7.036 5.014 1.00 0.00 C ATOM 0 H THR A 97 -17.570 -3.991 4.204 1.00 0.00 H new ATOM 0 HA THR A 97 -19.322 -5.892 2.786 1.00 0.00 H new ATOM 0 HB THR A 97 -20.861 -5.236 4.879 1.00 0.00 H new ATOM 0 HG1 THR A 97 -18.579 -4.144 5.579 1.00 0.00 H new ATOM 0 HG21 THR A 97 -20.144 -7.327 5.975 1.00 0.00 H new ATOM 0 HG22 THR A 97 -20.275 -7.520 4.211 1.00 0.00 H new ATOM 0 HG23 THR A 97 -18.676 -7.345 4.970 1.00 0.00 H new ATOM 1401 N VAL A 98 -20.864 -4.079 2.031 1.00 0.00 N ATOM 1402 CA VAL A 98 -21.663 -2.998 1.466 1.00 0.00 C ATOM 1403 C VAL A 98 -23.152 -3.249 1.673 1.00 0.00 C ATOM 1404 O VAL A 98 -23.757 -4.069 0.981 1.00 0.00 O ATOM 1405 CB VAL A 98 -21.387 -2.824 -0.039 1.00 0.00 C ATOM 1406 CG1 VAL A 98 -22.177 -1.649 -0.594 1.00 0.00 C ATOM 1407 CG2 VAL A 98 -19.898 -2.641 -0.289 1.00 0.00 C ATOM 0 H VAL A 98 -21.040 -4.994 1.617 1.00 0.00 H new ATOM 0 HA VAL A 98 -21.376 -2.086 1.988 1.00 0.00 H new ATOM 0 HB VAL A 98 -21.711 -3.726 -0.557 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -21.969 -1.541 -1.659 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -23.243 -1.826 -0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -21.886 -0.737 -0.074 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -19.721 -2.519 -1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -19.546 -1.755 0.240 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -19.358 -3.517 0.071 1.00 0.00 H new ATOM 1417 N HIS A 99 -23.740 -2.538 2.630 1.00 0.00 N ATOM 1418 CA HIS A 99 -25.160 -2.683 2.928 1.00 0.00 C ATOM 1419 C HIS A 99 -26.006 -2.417 1.686 1.00 0.00 C ATOM 1420 O HIS A 99 -26.921 -3.179 1.372 1.00 0.00 O ATOM 1421 CB HIS A 99 -25.568 -1.728 4.050 1.00 0.00 C ATOM 1422 CG HIS A 99 -24.780 -1.913 5.310 1.00 0.00 C ATOM 1423 ND1 HIS A 99 -24.948 -2.995 6.150 1.00 0.00 N ATOM 1424 CD2 HIS A 99 -23.815 -1.149 5.872 1.00 0.00 C ATOM 1425 CE1 HIS A 99 -24.120 -2.886 7.174 1.00 0.00 C ATOM 1426 NE2 HIS A 99 -23.421 -1.775 7.029 1.00 0.00 N ATOM 0 H HIS A 99 -23.255 -1.856 3.212 1.00 0.00 H new ATOM 0 HA HIS A 99 -25.334 -3.709 3.253 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -25.448 -0.701 3.704 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -26.626 -1.869 4.269 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -25.608 -3.759 6.003 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -23.427 -0.219 5.483 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -24.030 -3.587 7.991 1.00 0.00 H new