USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 652 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 48 LYS NZ :NH3+ -120:sc= 0.818 (180deg=-0.585) USER MOD Set 1.2: A 63 TYR OH : rot -160:sc= 1.68 USER MOD Set 2.1: A 16 HIS : no HE2:sc= -0.246 X(o=-0.41,f=-0.39) USER MOD Set 2.2: A 21 ASN : amide:sc= -0.162 X(o=-0.41,f=0.0097) USER MOD Set 3.1: A 10 TYR OH : rot 180:sc= -0.0657 USER MOD Set 3.2: A 14 GLN : amide:sc= 0.0127 K(o=-0.69,f=-0.18) USER MOD Set 3.3: A 45 HIS : no HD1:sc= -0.633 K(o=-0.69,f=-0.18) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.541 X(o=-0.54,f=-0.29) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 161:sc= 0.281 USER MOD Single : A 42 THR OG1 : rot 131:sc= -0.768 USER MOD Single : A 43 TYR OH : rot -144:sc=-0.00971 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 19:sc= 0.195 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 80:sc= 0.972 USER MOD Single : A 65 GLN : amide:sc= -1.11 K(o=-1.1,f=0) USER MOD Single : A 75 THR OG1 : rot -45:sc= -0.0105 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -1.33 K(o=-1.3,f=-0.084) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.557) USER MOD ----------------------------------------------------------------- ATOM 71 N PRO A 6 -10.521 1.537 9.247 1.00 0.00 N ATOM 72 CA PRO A 6 -9.434 1.488 8.238 1.00 0.00 C ATOM 73 C PRO A 6 -8.039 1.317 8.856 1.00 0.00 C ATOM 74 O PRO A 6 -7.298 0.419 8.461 1.00 0.00 O ATOM 75 CB PRO A 6 -9.563 2.840 7.485 1.00 0.00 C ATOM 76 CG PRO A 6 -11.003 3.208 7.628 1.00 0.00 C ATOM 77 CD PRO A 6 -11.422 2.702 8.996 1.00 0.00 C ATOM 0 HA PRO A 6 -9.536 0.622 7.584 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.913 3.600 7.919 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.281 2.740 6.437 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.141 4.286 7.550 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.604 2.752 6.841 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -11.301 3.471 9.759 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.470 2.404 9.007 1.00 0.00 H new ATOM 85 N PHE A 7 -7.725 2.159 9.854 1.00 0.00 N ATOM 86 CA PHE A 7 -6.429 2.137 10.561 1.00 0.00 C ATOM 87 C PHE A 7 -6.207 0.817 11.323 1.00 0.00 C ATOM 88 O PHE A 7 -5.077 0.330 11.393 1.00 0.00 O ATOM 89 CB PHE A 7 -6.323 3.338 11.541 1.00 0.00 C ATOM 90 CG PHE A 7 -4.970 3.447 12.264 1.00 0.00 C ATOM 91 CD1 PHE A 7 -3.831 3.868 11.576 1.00 0.00 C ATOM 92 CD2 PHE A 7 -4.835 3.113 13.614 1.00 0.00 C ATOM 93 CE1 PHE A 7 -2.607 3.951 12.209 1.00 0.00 C ATOM 94 CE2 PHE A 7 -3.608 3.193 14.244 1.00 0.00 C ATOM 95 CZ PHE A 7 -2.494 3.616 13.544 1.00 0.00 C ATOM 0 H PHE A 7 -8.363 2.877 10.196 1.00 0.00 H new ATOM 0 HA PHE A 7 -5.649 2.218 9.803 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -6.502 4.260 10.988 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -7.114 3.255 12.286 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.908 4.133 10.532 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -5.701 2.788 14.172 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.737 4.278 11.660 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.519 2.924 15.286 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.537 3.684 14.040 1.00 0.00 H new ATOM 105 N THR A 8 -7.283 0.249 11.895 1.00 0.00 N ATOM 106 CA THR A 8 -7.180 -0.925 12.777 1.00 0.00 C ATOM 107 C THR A 8 -6.876 -2.213 11.970 1.00 0.00 C ATOM 108 O THR A 8 -6.022 -3.002 12.376 1.00 0.00 O ATOM 109 CB THR A 8 -8.472 -1.099 13.635 1.00 0.00 C ATOM 110 OG1 THR A 8 -8.845 0.172 14.191 1.00 0.00 O ATOM 111 CG2 THR A 8 -8.276 -2.116 14.783 1.00 0.00 C ATOM 0 H THR A 8 -8.236 0.586 11.761 1.00 0.00 H new ATOM 0 HA THR A 8 -6.345 -0.753 13.456 1.00 0.00 H new ATOM 0 HB THR A 8 -9.256 -1.481 12.981 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.657 0.068 14.729 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.201 -2.204 15.353 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.012 -3.088 14.367 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.476 -1.774 15.440 1.00 0.00 H new ATOM 119 N ARG A 9 -7.568 -2.403 10.822 1.00 0.00 N ATOM 120 CA ARG A 9 -7.330 -3.560 9.909 1.00 0.00 C ATOM 121 C ARG A 9 -6.011 -3.379 9.143 1.00 0.00 C ATOM 122 O ARG A 9 -5.404 -4.355 8.708 1.00 0.00 O ATOM 123 CB ARG A 9 -8.520 -3.758 8.925 1.00 0.00 C ATOM 124 CG ARG A 9 -8.755 -2.585 7.945 1.00 0.00 C ATOM 125 CD ARG A 9 -10.239 -2.355 7.599 1.00 0.00 C ATOM 126 NE ARG A 9 -10.921 -3.546 7.066 1.00 0.00 N ATOM 127 CZ ARG A 9 -12.248 -3.637 6.873 1.00 0.00 C ATOM 128 NH1 ARG A 9 -13.046 -2.616 7.121 1.00 0.00 N ATOM 129 NH2 ARG A 9 -12.773 -4.756 6.433 1.00 0.00 N ATOM 0 H ARG A 9 -8.300 -1.770 10.500 1.00 0.00 H new ATOM 0 HA ARG A 9 -7.253 -4.460 10.519 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.348 -4.666 8.347 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.430 -3.916 9.505 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -8.347 -1.673 8.380 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.202 -2.775 7.025 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.762 -2.019 8.494 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.310 -1.550 6.867 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.348 -4.356 6.827 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.658 -1.738 7.466 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.051 -2.705 6.968 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.174 -5.558 6.237 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -13.780 -4.824 6.287 1.00 0.00 H new ATOM 143 N TYR A 10 -5.611 -2.108 8.969 1.00 0.00 N ATOM 144 CA TYR A 10 -4.312 -1.718 8.396 1.00 0.00 C ATOM 145 C TYR A 10 -3.165 -2.163 9.314 1.00 0.00 C ATOM 146 O TYR A 10 -2.215 -2.808 8.869 1.00 0.00 O ATOM 147 CB TYR A 10 -4.309 -0.182 8.185 1.00 0.00 C ATOM 148 CG TYR A 10 -2.968 0.441 7.777 1.00 0.00 C ATOM 149 CD1 TYR A 10 -2.407 0.188 6.527 1.00 0.00 C ATOM 150 CD2 TYR A 10 -2.275 1.293 8.646 1.00 0.00 C ATOM 151 CE1 TYR A 10 -1.210 0.754 6.164 1.00 0.00 C ATOM 152 CE2 TYR A 10 -1.079 1.861 8.279 1.00 0.00 C ATOM 153 CZ TYR A 10 -0.554 1.587 7.039 1.00 0.00 C ATOM 154 OH TYR A 10 0.638 2.146 6.667 1.00 0.00 O ATOM 0 H TYR A 10 -6.191 -1.310 9.227 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.162 -2.210 7.435 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.047 0.061 7.420 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.640 0.292 9.109 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.921 -0.462 5.834 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.688 1.507 9.621 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.785 0.545 5.193 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.556 2.517 8.959 1.00 0.00 H new ATOM 0 HH TYR A 10 0.976 2.710 7.394 1.00 0.00 H new ATOM 164 N ALA A 11 -3.296 -1.824 10.605 1.00 0.00 N ATOM 165 CA ALA A 11 -2.324 -2.189 11.648 1.00 0.00 C ATOM 166 C ALA A 11 -2.328 -3.710 11.882 1.00 0.00 C ATOM 167 O ALA A 11 -1.283 -4.308 12.146 1.00 0.00 O ATOM 168 CB ALA A 11 -2.642 -1.428 12.945 1.00 0.00 C ATOM 0 H ALA A 11 -4.086 -1.284 10.958 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.324 -1.907 11.318 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.920 -1.702 13.714 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.586 -0.355 12.760 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.646 -1.687 13.282 1.00 0.00 H new ATOM 174 N LEU A 12 -3.525 -4.314 11.754 1.00 0.00 N ATOM 175 CA LEU A 12 -3.723 -5.766 11.879 1.00 0.00 C ATOM 176 C LEU A 12 -3.076 -6.496 10.692 1.00 0.00 C ATOM 177 O LEU A 12 -2.546 -7.590 10.856 1.00 0.00 O ATOM 178 CB LEU A 12 -5.233 -6.118 11.956 1.00 0.00 C ATOM 179 CG LEU A 12 -5.577 -7.636 12.143 1.00 0.00 C ATOM 180 CD1 LEU A 12 -5.083 -8.171 13.509 1.00 0.00 C ATOM 181 CD2 LEU A 12 -7.086 -7.896 11.948 1.00 0.00 C ATOM 0 H LEU A 12 -4.386 -3.802 11.560 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.246 -6.092 12.803 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.674 -5.562 12.783 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.714 -5.767 11.043 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.044 -8.188 11.369 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.340 -9.226 13.601 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.001 -8.054 13.576 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.559 -7.610 14.313 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.293 -8.958 12.084 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.652 -7.319 12.680 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.380 -7.595 10.943 1.00 0.00 H new ATOM 193 N ALA A 13 -3.122 -5.866 9.507 1.00 0.00 N ATOM 194 CA ALA A 13 -2.474 -6.383 8.292 1.00 0.00 C ATOM 195 C ALA A 13 -0.955 -6.407 8.477 1.00 0.00 C ATOM 196 O ALA A 13 -0.297 -7.386 8.142 1.00 0.00 O ATOM 197 CB ALA A 13 -2.861 -5.541 7.069 1.00 0.00 C ATOM 0 H ALA A 13 -3.611 -4.982 9.365 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.819 -7.402 8.119 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.370 -5.941 6.182 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.942 -5.574 6.932 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.546 -4.509 7.223 1.00 0.00 H new ATOM 203 N GLN A 14 -0.429 -5.335 9.083 1.00 0.00 N ATOM 204 CA GLN A 14 1.001 -5.221 9.427 1.00 0.00 C ATOM 205 C GLN A 14 1.410 -6.270 10.489 1.00 0.00 C ATOM 206 O GLN A 14 2.554 -6.746 10.493 1.00 0.00 O ATOM 207 CB GLN A 14 1.311 -3.781 9.897 1.00 0.00 C ATOM 208 CG GLN A 14 0.992 -2.705 8.829 1.00 0.00 C ATOM 209 CD GLN A 14 1.233 -1.272 9.300 1.00 0.00 C ATOM 210 OE1 GLN A 14 1.112 -0.960 10.474 1.00 0.00 O ATOM 211 NE2 GLN A 14 1.555 -0.383 8.387 1.00 0.00 N ATOM 0 H GLN A 14 -0.980 -4.520 9.350 1.00 0.00 H new ATOM 0 HA GLN A 14 1.595 -5.428 8.537 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.737 -3.569 10.799 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.365 -3.713 10.167 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.601 -2.893 7.945 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.050 -2.807 8.526 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.651 -0.665 7.412 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.709 0.589 8.654 1.00 0.00 H new ATOM 220 N GLU A 15 0.455 -6.640 11.363 1.00 0.00 N ATOM 221 CA GLU A 15 0.632 -7.751 12.309 1.00 0.00 C ATOM 222 C GLU A 15 0.674 -9.092 11.562 1.00 0.00 C ATOM 223 O GLU A 15 1.527 -9.909 11.848 1.00 0.00 O ATOM 224 CB GLU A 15 -0.481 -7.761 13.387 1.00 0.00 C ATOM 225 CG GLU A 15 -0.409 -6.598 14.391 1.00 0.00 C ATOM 226 CD GLU A 15 0.916 -6.563 15.182 1.00 0.00 C ATOM 227 OE1 GLU A 15 1.098 -7.410 16.080 1.00 0.00 O ATOM 228 OE2 GLU A 15 1.782 -5.706 14.897 1.00 0.00 O ATOM 0 H GLU A 15 -0.453 -6.180 11.431 1.00 0.00 H new ATOM 0 HA GLU A 15 1.584 -7.606 12.819 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.451 -7.735 12.890 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.429 -8.701 13.936 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.531 -5.656 13.856 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.241 -6.678 15.091 1.00 0.00 H new ATOM 235 N HIS A 16 -0.231 -9.301 10.593 1.00 0.00 N ATOM 236 CA HIS A 16 -0.261 -10.536 9.778 1.00 0.00 C ATOM 237 C HIS A 16 1.035 -10.700 8.967 1.00 0.00 C ATOM 238 O HIS A 16 1.490 -11.821 8.771 1.00 0.00 O ATOM 239 CB HIS A 16 -1.506 -10.588 8.856 1.00 0.00 C ATOM 240 CG HIS A 16 -2.780 -10.945 9.571 1.00 0.00 C ATOM 241 ND1 HIS A 16 -3.068 -12.229 9.986 1.00 0.00 N ATOM 242 CD2 HIS A 16 -3.830 -10.191 9.951 1.00 0.00 C ATOM 243 CE1 HIS A 16 -4.238 -12.237 10.584 1.00 0.00 C ATOM 244 NE2 HIS A 16 -4.721 -11.017 10.577 1.00 0.00 N ATOM 0 H HIS A 16 -0.958 -8.628 10.350 1.00 0.00 H new ATOM 0 HA HIS A 16 -0.334 -11.376 10.469 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -1.631 -9.618 8.375 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -1.329 -11.316 8.064 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -2.468 -13.043 9.850 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -3.946 -9.129 9.790 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.722 -13.103 11.010 1.00 0.00 H new ATOM 253 N LEU A 17 1.642 -9.575 8.546 1.00 0.00 N ATOM 254 CA LEU A 17 2.946 -9.575 7.856 1.00 0.00 C ATOM 255 C LEU A 17 4.026 -10.238 8.735 1.00 0.00 C ATOM 256 O LEU A 17 4.661 -11.210 8.312 1.00 0.00 O ATOM 257 CB LEU A 17 3.358 -8.126 7.486 1.00 0.00 C ATOM 258 CG LEU A 17 2.509 -7.438 6.372 1.00 0.00 C ATOM 259 CD1 LEU A 17 2.899 -5.955 6.186 1.00 0.00 C ATOM 260 CD2 LEU A 17 2.624 -8.204 5.039 1.00 0.00 C ATOM 0 H LEU A 17 1.245 -8.644 8.674 1.00 0.00 H new ATOM 0 HA LEU A 17 2.852 -10.154 6.938 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.306 -7.513 8.386 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.400 -8.136 7.167 1.00 0.00 H new ATOM 0 HG LEU A 17 1.469 -7.465 6.696 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.285 -5.513 5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.738 -5.417 7.120 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.950 -5.888 5.905 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.023 -7.704 4.279 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.666 -8.226 4.721 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.264 -9.224 5.173 1.00 0.00 H new ATOM 272 N LYS A 18 4.170 -9.744 9.985 1.00 0.00 N ATOM 273 CA LYS A 18 5.179 -10.259 10.938 1.00 0.00 C ATOM 274 C LYS A 18 4.771 -11.643 11.502 1.00 0.00 C ATOM 275 O LYS A 18 5.603 -12.366 12.049 1.00 0.00 O ATOM 276 CB LYS A 18 5.424 -9.236 12.084 1.00 0.00 C ATOM 277 CG LYS A 18 4.218 -9.010 13.030 1.00 0.00 C ATOM 278 CD LYS A 18 4.419 -7.835 14.012 1.00 0.00 C ATOM 279 CE LYS A 18 5.606 -8.018 14.973 1.00 0.00 C ATOM 280 NZ LYS A 18 5.773 -6.858 15.883 1.00 0.00 N ATOM 0 H LYS A 18 3.598 -8.987 10.358 1.00 0.00 H new ATOM 0 HA LYS A 18 6.115 -10.392 10.395 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.273 -9.575 12.677 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.705 -8.280 11.643 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.326 -8.825 12.431 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.036 -9.922 13.599 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.566 -6.918 13.440 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.508 -7.704 14.597 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.458 -8.922 15.563 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.520 -8.160 14.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.584 -7.025 16.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.941 -5.998 15.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.912 -6.737 16.453 1.00 0.00 H new ATOM 294 N HIS A 19 3.474 -11.994 11.389 1.00 0.00 N ATOM 295 CA HIS A 19 2.959 -13.338 11.753 1.00 0.00 C ATOM 296 C HIS A 19 2.960 -14.314 10.551 1.00 0.00 C ATOM 297 O HIS A 19 2.219 -15.308 10.570 1.00 0.00 O ATOM 298 CB HIS A 19 1.529 -13.213 12.339 1.00 0.00 C ATOM 299 CG HIS A 19 1.407 -12.345 13.575 1.00 0.00 C ATOM 300 ND1 HIS A 19 0.251 -11.669 13.915 1.00 0.00 N ATOM 301 CD2 HIS A 19 2.308 -12.030 14.540 1.00 0.00 C ATOM 302 CE1 HIS A 19 0.454 -10.976 15.018 1.00 0.00 C ATOM 303 NE2 HIS A 19 1.690 -11.179 15.420 1.00 0.00 N ATOM 0 H HIS A 19 2.753 -11.360 11.045 1.00 0.00 H new ATOM 0 HA HIS A 19 3.630 -13.753 12.505 1.00 0.00 H new ATOM 0 HB2 HIS A 19 0.872 -12.811 11.567 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.165 -14.212 12.580 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.326 -12.385 14.603 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.273 -10.347 15.510 1.00 0.00 H new ATOM 0 HE2 HIS A 19 2.119 -10.770 16.250 1.00 0.00 H new ATOM 312 N ASP A 20 3.756 -13.992 9.495 1.00 0.00 N ATOM 313 CA ASP A 20 4.007 -14.879 8.312 1.00 0.00 C ATOM 314 C ASP A 20 2.801 -14.937 7.331 1.00 0.00 C ATOM 315 O ASP A 20 2.921 -15.444 6.206 1.00 0.00 O ATOM 316 CB ASP A 20 4.460 -16.311 8.771 1.00 0.00 C ATOM 317 CG ASP A 20 4.733 -17.311 7.624 1.00 0.00 C ATOM 318 OD1 ASP A 20 5.663 -17.067 6.827 1.00 0.00 O ATOM 319 OD2 ASP A 20 4.010 -18.327 7.502 1.00 0.00 O ATOM 0 H ASP A 20 4.249 -13.101 9.435 1.00 0.00 H new ATOM 0 HA ASP A 20 4.826 -14.431 7.748 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.365 -16.214 9.371 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.690 -16.728 9.420 1.00 0.00 H new ATOM 324 N ASN A 21 1.658 -14.374 7.749 1.00 0.00 N ATOM 325 CA ASN A 21 0.409 -14.362 6.973 1.00 0.00 C ATOM 326 C ASN A 21 0.408 -13.161 6.008 1.00 0.00 C ATOM 327 O ASN A 21 -0.473 -12.296 6.072 1.00 0.00 O ATOM 328 CB ASN A 21 -0.813 -14.287 7.937 1.00 0.00 C ATOM 329 CG ASN A 21 -0.873 -15.362 9.021 1.00 0.00 C ATOM 330 OD1 ASN A 21 -1.413 -15.120 10.097 1.00 0.00 O ATOM 331 ND2 ASN A 21 -0.348 -16.549 8.756 1.00 0.00 N ATOM 0 H ASN A 21 1.574 -13.906 8.651 1.00 0.00 H new ATOM 0 HA ASN A 21 0.337 -15.280 6.390 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.811 -13.310 8.421 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.725 -14.346 7.343 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.386 -17.291 9.455 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.094 -16.721 7.853 1.00 0.00 H new ATOM 338 N ALA A 22 1.411 -13.114 5.115 1.00 0.00 N ATOM 339 CA ALA A 22 1.579 -12.026 4.143 1.00 0.00 C ATOM 340 C ALA A 22 0.430 -12.029 3.127 1.00 0.00 C ATOM 341 O ALA A 22 -0.034 -10.973 2.714 1.00 0.00 O ATOM 342 CB ALA A 22 2.940 -12.149 3.447 1.00 0.00 C ATOM 0 H ALA A 22 2.130 -13.834 5.049 1.00 0.00 H new ATOM 0 HA ALA A 22 1.551 -11.072 4.670 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.056 -11.338 2.728 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.735 -12.091 4.190 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.998 -13.105 2.927 1.00 0.00 H new ATOM 348 N SER A 23 -0.022 -13.238 2.755 1.00 0.00 N ATOM 349 CA SER A 23 -1.190 -13.457 1.876 1.00 0.00 C ATOM 350 C SER A 23 -2.507 -12.952 2.509 1.00 0.00 C ATOM 351 O SER A 23 -3.372 -12.416 1.809 1.00 0.00 O ATOM 352 CB SER A 23 -1.295 -14.958 1.543 1.00 0.00 C ATOM 353 OG SER A 23 -1.335 -15.744 2.730 1.00 0.00 O ATOM 0 H SER A 23 0.418 -14.106 3.060 1.00 0.00 H new ATOM 0 HA SER A 23 -1.040 -12.879 0.964 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.192 -15.141 0.952 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.444 -15.259 0.932 1.00 0.00 H new ATOM 0 HG SER A 23 -1.403 -16.692 2.492 1.00 0.00 H new ATOM 359 N ARG A 24 -2.651 -13.116 3.836 1.00 0.00 N ATOM 360 CA ARG A 24 -3.853 -12.679 4.582 1.00 0.00 C ATOM 361 C ARG A 24 -3.849 -11.148 4.761 1.00 0.00 C ATOM 362 O ARG A 24 -4.892 -10.491 4.678 1.00 0.00 O ATOM 363 CB ARG A 24 -3.892 -13.390 5.963 1.00 0.00 C ATOM 364 CG ARG A 24 -3.978 -14.937 5.905 1.00 0.00 C ATOM 365 CD ARG A 24 -5.301 -15.436 5.312 1.00 0.00 C ATOM 366 NE ARG A 24 -5.354 -16.909 5.209 1.00 0.00 N ATOM 367 CZ ARG A 24 -6.213 -17.609 4.449 1.00 0.00 C ATOM 368 NH1 ARG A 24 -7.134 -16.992 3.709 1.00 0.00 N ATOM 369 NH2 ARG A 24 -6.159 -18.930 4.447 1.00 0.00 N ATOM 0 H ARG A 24 -1.941 -13.554 4.424 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.744 -12.951 4.016 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.999 -13.112 6.522 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.749 -13.015 6.523 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.150 -15.320 5.309 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.860 -15.341 6.911 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.127 -15.088 5.932 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.439 -15.000 4.322 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.681 -17.440 5.762 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.194 -15.974 3.714 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.779 -17.538 3.137 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.468 -19.413 5.021 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.809 -19.466 3.872 1.00 0.00 H new ATOM 383 N ALA A 25 -2.640 -10.607 4.987 1.00 0.00 N ATOM 384 CA ALA A 25 -2.377 -9.165 5.069 1.00 0.00 C ATOM 385 C ALA A 25 -2.586 -8.501 3.706 1.00 0.00 C ATOM 386 O ALA A 25 -3.059 -7.368 3.628 1.00 0.00 O ATOM 387 CB ALA A 25 -0.941 -8.938 5.545 1.00 0.00 C ATOM 0 H ALA A 25 -1.803 -11.174 5.120 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.073 -8.718 5.779 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.743 -7.868 5.607 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.808 -9.389 6.528 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.247 -9.395 4.839 1.00 0.00 H new ATOM 393 N LEU A 26 -2.249 -9.260 2.647 1.00 0.00 N ATOM 394 CA LEU A 26 -2.389 -8.837 1.249 1.00 0.00 C ATOM 395 C LEU A 26 -3.858 -8.546 0.966 1.00 0.00 C ATOM 396 O LEU A 26 -4.201 -7.468 0.500 1.00 0.00 O ATOM 397 CB LEU A 26 -1.845 -9.949 0.307 1.00 0.00 C ATOM 398 CG LEU A 26 -1.799 -9.638 -1.220 1.00 0.00 C ATOM 399 CD1 LEU A 26 -0.867 -8.456 -1.537 1.00 0.00 C ATOM 400 CD2 LEU A 26 -1.376 -10.892 -2.018 1.00 0.00 C ATOM 0 H LEU A 26 -1.865 -10.200 2.745 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.810 -7.931 1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.835 -10.199 0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.456 -10.840 0.451 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.806 -9.351 -1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.864 -8.273 -2.612 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.220 -7.565 -1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.145 -8.691 -1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.350 -10.655 -3.082 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.386 -11.213 -1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.093 -11.694 -1.843 1.00 0.00 H new ATOM 412 N ALA A 27 -4.711 -9.512 1.343 1.00 0.00 N ATOM 413 CA ALA A 27 -6.172 -9.407 1.254 1.00 0.00 C ATOM 414 C ALA A 27 -6.722 -8.179 2.007 1.00 0.00 C ATOM 415 O ALA A 27 -7.588 -7.484 1.482 1.00 0.00 O ATOM 416 CB ALA A 27 -6.808 -10.697 1.790 1.00 0.00 C ATOM 0 H ALA A 27 -4.396 -10.404 1.725 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.434 -9.272 0.205 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.893 -10.622 1.725 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.467 -11.545 1.196 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.516 -10.842 2.830 1.00 0.00 H new ATOM 422 N LEU A 28 -6.200 -7.919 3.228 1.00 0.00 N ATOM 423 CA LEU A 28 -6.614 -6.754 4.057 1.00 0.00 C ATOM 424 C LEU A 28 -6.263 -5.407 3.396 1.00 0.00 C ATOM 425 O LEU A 28 -7.072 -4.478 3.435 1.00 0.00 O ATOM 426 CB LEU A 28 -5.988 -6.833 5.480 1.00 0.00 C ATOM 427 CG LEU A 28 -6.614 -7.893 6.447 1.00 0.00 C ATOM 428 CD1 LEU A 28 -5.849 -7.948 7.788 1.00 0.00 C ATOM 429 CD2 LEU A 28 -8.114 -7.593 6.686 1.00 0.00 C ATOM 0 H LEU A 28 -5.487 -8.502 3.666 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.700 -6.803 4.143 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.925 -7.048 5.376 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.070 -5.851 5.947 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.528 -8.871 5.973 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.307 -8.693 8.438 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.809 -8.218 7.603 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.890 -6.971 8.270 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.532 -8.340 7.361 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.221 -6.603 7.130 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.647 -7.624 5.736 1.00 0.00 H new ATOM 441 N PHE A 29 -5.058 -5.307 2.808 1.00 0.00 N ATOM 442 CA PHE A 29 -4.606 -4.086 2.115 1.00 0.00 C ATOM 443 C PHE A 29 -5.419 -3.849 0.815 1.00 0.00 C ATOM 444 O PHE A 29 -5.831 -2.728 0.526 1.00 0.00 O ATOM 445 CB PHE A 29 -3.095 -4.141 1.784 1.00 0.00 C ATOM 446 CG PHE A 29 -2.128 -4.046 2.971 1.00 0.00 C ATOM 447 CD1 PHE A 29 -2.201 -2.982 3.875 1.00 0.00 C ATOM 448 CD2 PHE A 29 -1.121 -4.998 3.163 1.00 0.00 C ATOM 449 CE1 PHE A 29 -1.308 -2.884 4.932 1.00 0.00 C ATOM 450 CE2 PHE A 29 -0.230 -4.896 4.216 1.00 0.00 C ATOM 451 CZ PHE A 29 -0.323 -3.839 5.101 1.00 0.00 C ATOM 0 H PHE A 29 -4.374 -6.064 2.799 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.777 -3.253 2.797 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.896 -5.073 1.256 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.868 -3.329 1.094 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.962 -2.227 3.749 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.038 -5.828 2.477 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.383 -2.059 5.625 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.539 -5.643 4.347 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.373 -3.759 5.923 1.00 0.00 H new ATOM 461 N GLU A 30 -5.647 -4.923 0.046 1.00 0.00 N ATOM 462 CA GLU A 30 -6.467 -4.889 -1.184 1.00 0.00 C ATOM 463 C GLU A 30 -7.939 -4.559 -0.859 1.00 0.00 C ATOM 464 O GLU A 30 -8.627 -3.891 -1.647 1.00 0.00 O ATOM 465 CB GLU A 30 -6.349 -6.246 -1.928 1.00 0.00 C ATOM 466 CG GLU A 30 -4.917 -6.574 -2.396 1.00 0.00 C ATOM 467 CD GLU A 30 -4.764 -7.980 -3.003 1.00 0.00 C ATOM 468 OE1 GLU A 30 -5.079 -8.979 -2.319 1.00 0.00 O ATOM 469 OE2 GLU A 30 -4.324 -8.099 -4.165 1.00 0.00 O ATOM 0 H GLU A 30 -5.268 -5.846 0.256 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.093 -4.099 -1.835 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.698 -7.042 -1.271 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.011 -6.234 -2.794 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.609 -5.835 -3.135 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.238 -6.479 -1.549 1.00 0.00 H new ATOM 476 N GLU A 31 -8.392 -4.995 0.332 1.00 0.00 N ATOM 477 CA GLU A 31 -9.730 -4.691 0.847 1.00 0.00 C ATOM 478 C GLU A 31 -9.808 -3.207 1.243 1.00 0.00 C ATOM 479 O GLU A 31 -10.826 -2.554 1.020 1.00 0.00 O ATOM 480 CB GLU A 31 -10.055 -5.606 2.056 1.00 0.00 C ATOM 481 CG GLU A 31 -11.443 -5.386 2.701 1.00 0.00 C ATOM 482 CD GLU A 31 -11.704 -6.314 3.897 1.00 0.00 C ATOM 483 OE1 GLU A 31 -10.908 -6.290 4.864 1.00 0.00 O ATOM 484 OE2 GLU A 31 -12.709 -7.057 3.895 1.00 0.00 O ATOM 0 H GLU A 31 -7.833 -5.570 0.963 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.470 -4.881 0.069 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.984 -6.645 1.733 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.291 -5.456 2.819 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.525 -4.349 3.028 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.216 -5.545 1.949 1.00 0.00 H new ATOM 491 N LEU A 32 -8.705 -2.685 1.807 1.00 0.00 N ATOM 492 CA LEU A 32 -8.570 -1.262 2.150 1.00 0.00 C ATOM 493 C LEU A 32 -8.680 -0.371 0.906 1.00 0.00 C ATOM 494 O LEU A 32 -9.264 0.692 0.986 1.00 0.00 O ATOM 495 CB LEU A 32 -7.230 -1.010 2.888 1.00 0.00 C ATOM 496 CG LEU A 32 -7.214 -1.344 4.411 1.00 0.00 C ATOM 497 CD1 LEU A 32 -5.773 -1.421 4.957 1.00 0.00 C ATOM 498 CD2 LEU A 32 -8.049 -0.304 5.190 1.00 0.00 C ATOM 0 H LEU A 32 -7.881 -3.241 2.038 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.392 -0.999 2.816 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.453 -1.598 2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.962 0.039 2.764 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.664 -2.327 4.550 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.799 -1.655 6.021 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.224 -2.200 4.427 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.276 -0.462 4.809 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.032 -0.546 6.253 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.627 0.689 5.037 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.078 -0.321 4.831 1.00 0.00 H new ATOM 510 N VAL A 33 -8.104 -0.817 -0.225 1.00 0.00 N ATOM 511 CA VAL A 33 -8.193 -0.096 -1.517 1.00 0.00 C ATOM 512 C VAL A 33 -9.659 0.026 -1.989 1.00 0.00 C ATOM 513 O VAL A 33 -10.143 1.129 -2.276 1.00 0.00 O ATOM 514 CB VAL A 33 -7.327 -0.803 -2.633 1.00 0.00 C ATOM 515 CG1 VAL A 33 -7.502 -0.138 -4.022 1.00 0.00 C ATOM 516 CG2 VAL A 33 -5.836 -0.839 -2.230 1.00 0.00 C ATOM 0 H VAL A 33 -7.566 -1.682 -0.274 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.794 0.905 -1.353 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.692 -1.827 -2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.887 -0.660 -4.755 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.548 -0.192 -4.322 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.194 0.906 -3.967 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.259 -1.330 -3.013 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.471 0.179 -2.095 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.725 -1.391 -1.297 1.00 0.00 H new ATOM 526 N GLU A 34 -10.355 -1.125 -2.061 1.00 0.00 N ATOM 527 CA GLU A 34 -11.715 -1.197 -2.631 1.00 0.00 C ATOM 528 C GLU A 34 -12.769 -0.424 -1.792 1.00 0.00 C ATOM 529 O GLU A 34 -13.687 0.180 -2.363 1.00 0.00 O ATOM 530 CB GLU A 34 -12.138 -2.679 -2.837 1.00 0.00 C ATOM 531 CG GLU A 34 -12.251 -3.497 -1.541 1.00 0.00 C ATOM 532 CD GLU A 34 -12.577 -4.977 -1.761 1.00 0.00 C ATOM 533 OE1 GLU A 34 -11.659 -5.755 -2.095 1.00 0.00 O ATOM 534 OE2 GLU A 34 -13.752 -5.366 -1.603 1.00 0.00 O ATOM 0 H GLU A 34 -9.996 -2.021 -1.730 1.00 0.00 H new ATOM 0 HA GLU A 34 -11.679 -0.700 -3.601 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -13.099 -2.701 -3.350 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.415 -3.162 -3.494 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.312 -3.421 -0.993 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.024 -3.056 -0.912 1.00 0.00 H new ATOM 541 N THR A 35 -12.660 -0.445 -0.439 1.00 0.00 N ATOM 542 CA THR A 35 -13.614 0.274 0.443 1.00 0.00 C ATOM 543 C THR A 35 -13.163 1.723 0.712 1.00 0.00 C ATOM 544 O THR A 35 -13.996 2.636 0.753 1.00 0.00 O ATOM 545 CB THR A 35 -13.843 -0.484 1.808 1.00 0.00 C ATOM 546 OG1 THR A 35 -14.871 0.167 2.577 1.00 0.00 O ATOM 547 CG2 THR A 35 -12.563 -0.590 2.666 1.00 0.00 C ATOM 0 H THR A 35 -11.927 -0.948 0.061 1.00 0.00 H new ATOM 0 HA THR A 35 -14.563 0.303 -0.092 1.00 0.00 H new ATOM 0 HB THR A 35 -14.147 -1.497 1.545 1.00 0.00 H new ATOM 0 HG1 THR A 35 -15.003 -0.315 3.420 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.788 -1.122 3.591 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.798 -1.133 2.112 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.199 0.410 2.902 1.00 0.00 H new ATOM 555 N ASP A 36 -11.844 1.935 0.860 1.00 0.00 N ATOM 556 CA ASP A 36 -11.255 3.240 1.233 1.00 0.00 C ATOM 557 C ASP A 36 -10.131 3.584 0.243 1.00 0.00 C ATOM 558 O ASP A 36 -8.942 3.424 0.558 1.00 0.00 O ATOM 559 CB ASP A 36 -10.734 3.220 2.702 1.00 0.00 C ATOM 560 CG ASP A 36 -11.856 3.330 3.740 1.00 0.00 C ATOM 561 OD1 ASP A 36 -12.340 4.458 3.983 1.00 0.00 O ATOM 562 OD2 ASP A 36 -12.270 2.303 4.317 1.00 0.00 O ATOM 0 H ASP A 36 -11.148 1.202 0.724 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.023 4.012 1.180 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.179 2.297 2.872 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.034 4.043 2.844 1.00 0.00 H new ATOM 567 N PRO A 37 -10.482 4.074 -0.987 1.00 0.00 N ATOM 568 CA PRO A 37 -9.487 4.366 -2.042 1.00 0.00 C ATOM 569 C PRO A 37 -8.640 5.619 -1.729 1.00 0.00 C ATOM 570 O PRO A 37 -7.681 5.917 -2.438 1.00 0.00 O ATOM 571 CB PRO A 37 -10.351 4.555 -3.330 1.00 0.00 C ATOM 572 CG PRO A 37 -11.746 4.143 -2.938 1.00 0.00 C ATOM 573 CD PRO A 37 -11.847 4.401 -1.460 1.00 0.00 C ATOM 0 HA PRO A 37 -8.751 3.568 -2.141 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.328 5.590 -3.671 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.975 3.942 -4.149 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.492 4.717 -3.487 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.922 3.091 -3.165 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.114 5.436 -1.245 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.602 3.772 -0.988 1.00 0.00 H new ATOM 581 N ASP A 38 -8.998 6.307 -0.640 1.00 0.00 N ATOM 582 CA ASP A 38 -8.376 7.565 -0.210 1.00 0.00 C ATOM 583 C ASP A 38 -7.500 7.342 1.037 1.00 0.00 C ATOM 584 O ASP A 38 -7.239 8.292 1.789 1.00 0.00 O ATOM 585 CB ASP A 38 -9.485 8.612 0.086 1.00 0.00 C ATOM 586 CG ASP A 38 -10.331 8.974 -1.141 1.00 0.00 C ATOM 587 OD1 ASP A 38 -11.195 8.163 -1.548 1.00 0.00 O ATOM 588 OD2 ASP A 38 -10.141 10.067 -1.712 1.00 0.00 O ATOM 0 H ASP A 38 -9.745 5.998 -0.018 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.734 7.935 -1.009 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.140 8.225 0.867 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.023 9.518 0.478 1.00 0.00 H new ATOM 593 N TYR A 39 -7.007 6.096 1.235 1.00 0.00 N ATOM 594 CA TYR A 39 -6.154 5.744 2.385 1.00 0.00 C ATOM 595 C TYR A 39 -4.738 5.485 1.845 1.00 0.00 C ATOM 596 O TYR A 39 -4.436 4.393 1.350 1.00 0.00 O ATOM 597 CB TYR A 39 -6.721 4.521 3.166 1.00 0.00 C ATOM 598 CG TYR A 39 -6.094 4.346 4.566 1.00 0.00 C ATOM 599 CD1 TYR A 39 -6.652 4.960 5.692 1.00 0.00 C ATOM 600 CD2 TYR A 39 -4.938 3.589 4.761 1.00 0.00 C ATOM 601 CE1 TYR A 39 -6.081 4.825 6.946 1.00 0.00 C ATOM 602 CE2 TYR A 39 -4.367 3.446 6.008 1.00 0.00 C ATOM 603 CZ TYR A 39 -4.939 4.064 7.099 1.00 0.00 C ATOM 604 OH TYR A 39 -4.359 3.924 8.339 1.00 0.00 O ATOM 0 H TYR A 39 -7.190 5.315 0.605 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.129 6.562 3.105 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -7.800 4.634 3.270 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.550 3.616 2.583 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -7.548 5.553 5.581 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.479 3.103 3.913 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -6.527 5.313 7.800 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -3.474 2.851 6.129 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.764 3.145 8.336 1.00 0.00 H new ATOM 614 N VAL A 40 -3.890 6.517 1.935 1.00 0.00 N ATOM 615 CA VAL A 40 -2.557 6.566 1.307 1.00 0.00 C ATOM 616 C VAL A 40 -1.613 5.483 1.870 1.00 0.00 C ATOM 617 O VAL A 40 -0.854 4.851 1.110 1.00 0.00 O ATOM 618 CB VAL A 40 -1.930 7.991 1.529 1.00 0.00 C ATOM 619 CG1 VAL A 40 -0.514 8.100 0.926 1.00 0.00 C ATOM 620 CG2 VAL A 40 -2.859 9.096 0.973 1.00 0.00 C ATOM 0 H VAL A 40 -4.114 7.363 2.458 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.679 6.370 0.242 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.832 8.137 2.605 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.119 9.101 1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.139 7.364 1.396 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.560 7.912 -0.147 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.403 10.072 1.139 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.008 8.942 -0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.821 9.054 1.484 1.00 0.00 H new ATOM 630 N GLY A 41 -1.702 5.270 3.198 1.00 0.00 N ATOM 631 CA GLY A 41 -0.820 4.340 3.915 1.00 0.00 C ATOM 632 C GLY A 41 -0.939 2.906 3.411 1.00 0.00 C ATOM 633 O GLY A 41 0.052 2.159 3.417 1.00 0.00 O ATOM 0 H GLY A 41 -2.384 5.736 3.796 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.213 4.672 3.811 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.058 4.368 4.978 1.00 0.00 H new ATOM 637 N THR A 42 -2.154 2.539 2.953 1.00 0.00 N ATOM 638 CA THR A 42 -2.421 1.245 2.326 1.00 0.00 C ATOM 639 C THR A 42 -1.508 1.033 1.115 1.00 0.00 C ATOM 640 O THR A 42 -0.786 0.054 1.072 1.00 0.00 O ATOM 641 CB THR A 42 -3.910 1.130 1.881 1.00 0.00 C ATOM 642 OG1 THR A 42 -4.746 1.156 3.037 1.00 0.00 O ATOM 643 CG2 THR A 42 -4.188 -0.148 1.080 1.00 0.00 C ATOM 0 H THR A 42 -2.975 3.141 3.012 1.00 0.00 H new ATOM 0 HA THR A 42 -2.218 0.474 3.069 1.00 0.00 H new ATOM 0 HB THR A 42 -4.125 1.975 1.227 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.467 1.807 2.905 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.240 -0.177 0.795 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.569 -0.157 0.183 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.953 -1.019 1.692 1.00 0.00 H new ATOM 651 N TYR A 43 -1.513 2.004 0.183 1.00 0.00 N ATOM 652 CA TYR A 43 -0.847 1.877 -1.130 1.00 0.00 C ATOM 653 C TYR A 43 0.669 1.677 -1.010 1.00 0.00 C ATOM 654 O TYR A 43 1.249 0.883 -1.762 1.00 0.00 O ATOM 655 CB TYR A 43 -1.177 3.098 -2.019 1.00 0.00 C ATOM 656 CG TYR A 43 -2.670 3.181 -2.358 1.00 0.00 C ATOM 657 CD1 TYR A 43 -3.217 2.377 -3.359 1.00 0.00 C ATOM 658 CD2 TYR A 43 -3.537 4.023 -1.658 1.00 0.00 C ATOM 659 CE1 TYR A 43 -4.555 2.415 -3.653 1.00 0.00 C ATOM 660 CE2 TYR A 43 -4.884 4.053 -1.947 1.00 0.00 C ATOM 661 CZ TYR A 43 -5.382 3.246 -2.946 1.00 0.00 C ATOM 662 OH TYR A 43 -6.716 3.263 -3.238 1.00 0.00 O ATOM 0 H TYR A 43 -1.979 2.901 0.318 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.239 0.977 -1.603 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.871 4.011 -1.508 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.599 3.040 -2.942 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.572 1.711 -3.913 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.146 4.660 -0.879 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -4.955 1.792 -4.439 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.544 4.705 -1.394 1.00 0.00 H new ATOM 0 HH TYR A 43 -7.061 4.175 -3.140 1.00 0.00 H new ATOM 672 N TYR A 44 1.306 2.418 -0.087 1.00 0.00 N ATOM 673 CA TYR A 44 2.729 2.235 0.238 1.00 0.00 C ATOM 674 C TYR A 44 3.037 0.791 0.685 1.00 0.00 C ATOM 675 O TYR A 44 3.798 0.087 0.026 1.00 0.00 O ATOM 676 CB TYR A 44 3.169 3.255 1.321 1.00 0.00 C ATOM 677 CG TYR A 44 4.699 3.388 1.464 1.00 0.00 C ATOM 678 CD1 TYR A 44 5.437 4.171 0.567 1.00 0.00 C ATOM 679 CD2 TYR A 44 5.407 2.725 2.472 1.00 0.00 C ATOM 680 CE1 TYR A 44 6.809 4.295 0.683 1.00 0.00 C ATOM 681 CE2 TYR A 44 6.778 2.849 2.587 1.00 0.00 C ATOM 682 CZ TYR A 44 7.471 3.632 1.693 1.00 0.00 C ATOM 683 OH TYR A 44 8.836 3.748 1.806 1.00 0.00 O ATOM 0 H TYR A 44 0.851 3.156 0.451 1.00 0.00 H new ATOM 0 HA TYR A 44 3.303 2.418 -0.671 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.750 4.232 1.079 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.748 2.956 2.281 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.924 4.688 -0.231 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.871 2.104 3.174 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.359 4.909 -0.015 1.00 0.00 H new ATOM 0 HE2 TYR A 44 7.304 2.333 3.376 1.00 0.00 H new ATOM 0 HH TYR A 44 9.147 3.219 2.570 1.00 0.00 H new ATOM 693 N HIS A 45 2.400 0.377 1.783 1.00 0.00 N ATOM 694 CA HIS A 45 2.667 -0.923 2.453 1.00 0.00 C ATOM 695 C HIS A 45 2.185 -2.136 1.623 1.00 0.00 C ATOM 696 O HIS A 45 2.755 -3.227 1.728 1.00 0.00 O ATOM 697 CB HIS A 45 2.061 -0.918 3.883 1.00 0.00 C ATOM 698 CG HIS A 45 2.715 0.088 4.805 1.00 0.00 C ATOM 699 ND1 HIS A 45 3.362 -0.254 5.971 1.00 0.00 N ATOM 700 CD2 HIS A 45 2.832 1.439 4.712 1.00 0.00 C ATOM 701 CE1 HIS A 45 3.838 0.829 6.545 1.00 0.00 C ATOM 702 NE2 HIS A 45 3.532 1.869 5.803 1.00 0.00 N ATOM 0 H HIS A 45 1.677 0.929 2.245 1.00 0.00 H new ATOM 0 HA HIS A 45 3.748 -1.038 2.535 1.00 0.00 H new ATOM 0 HB2 HIS A 45 0.995 -0.702 3.818 1.00 0.00 H new ATOM 0 HB3 HIS A 45 2.158 -1.914 4.315 1.00 0.00 H new ATOM 0 HD2 HIS A 45 2.442 2.060 3.919 1.00 0.00 H new ATOM 0 HE1 HIS A 45 4.389 0.859 7.473 1.00 0.00 H new ATOM 0 HE2 HIS A 45 3.777 2.838 6.008 1.00 0.00 H new ATOM 711 N LEU A 46 1.153 -1.923 0.799 1.00 0.00 N ATOM 712 CA LEU A 46 0.624 -2.941 -0.129 1.00 0.00 C ATOM 713 C LEU A 46 1.583 -3.116 -1.315 1.00 0.00 C ATOM 714 O LEU A 46 1.845 -4.243 -1.743 1.00 0.00 O ATOM 715 CB LEU A 46 -0.793 -2.542 -0.626 1.00 0.00 C ATOM 716 CG LEU A 46 -1.453 -3.453 -1.715 1.00 0.00 C ATOM 717 CD1 LEU A 46 -1.518 -4.935 -1.287 1.00 0.00 C ATOM 718 CD2 LEU A 46 -2.855 -2.934 -2.102 1.00 0.00 C ATOM 0 H LEU A 46 0.655 -1.034 0.754 1.00 0.00 H new ATOM 0 HA LEU A 46 0.543 -3.891 0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.458 -2.512 0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.739 -1.528 -1.022 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.810 -3.402 -2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.984 -5.522 -2.078 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.509 -5.306 -1.106 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.106 -5.025 -0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.288 -3.587 -2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.496 -2.926 -1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.772 -1.922 -2.499 1.00 0.00 H new ATOM 730 N GLY A 47 2.119 -1.988 -1.814 1.00 0.00 N ATOM 731 CA GLY A 47 3.075 -2.003 -2.916 1.00 0.00 C ATOM 732 C GLY A 47 4.422 -2.570 -2.491 1.00 0.00 C ATOM 733 O GLY A 47 5.114 -3.197 -3.287 1.00 0.00 O ATOM 0 H GLY A 47 1.900 -1.055 -1.464 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.674 -2.597 -3.737 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.210 -0.989 -3.293 1.00 0.00 H new ATOM 737 N LYS A 48 4.776 -2.329 -1.215 1.00 0.00 N ATOM 738 CA LYS A 48 5.973 -2.893 -0.571 1.00 0.00 C ATOM 739 C LYS A 48 5.864 -4.409 -0.482 1.00 0.00 C ATOM 740 O LYS A 48 6.832 -5.127 -0.741 1.00 0.00 O ATOM 741 CB LYS A 48 6.165 -2.282 0.852 1.00 0.00 C ATOM 742 CG LYS A 48 6.734 -0.850 0.848 1.00 0.00 C ATOM 743 CD LYS A 48 8.172 -0.811 0.290 1.00 0.00 C ATOM 744 CE LYS A 48 8.695 0.604 0.074 1.00 0.00 C ATOM 745 NZ LYS A 48 7.952 1.292 -1.004 1.00 0.00 N ATOM 0 H LYS A 48 4.231 -1.729 -0.596 1.00 0.00 H new ATOM 0 HA LYS A 48 6.842 -2.641 -1.179 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.205 -2.279 1.367 1.00 0.00 H new ATOM 0 HB3 LYS A 48 6.832 -2.925 1.425 1.00 0.00 H new ATOM 0 HG2 LYS A 48 6.093 -0.205 0.248 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.726 -0.452 1.863 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.836 -1.336 0.977 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.202 -1.351 -0.656 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.606 1.172 1.000 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.755 0.568 -0.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.611 1.560 -1.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.225 0.654 -1.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.498 2.146 -0.622 1.00 0.00 H new ATOM 759 N LEU A 49 4.660 -4.872 -0.130 1.00 0.00 N ATOM 760 CA LEU A 49 4.351 -6.300 -0.030 1.00 0.00 C ATOM 761 C LEU A 49 4.427 -6.952 -1.423 1.00 0.00 C ATOM 762 O LEU A 49 4.931 -8.063 -1.560 1.00 0.00 O ATOM 763 CB LEU A 49 2.963 -6.498 0.627 1.00 0.00 C ATOM 764 CG LEU A 49 2.480 -7.972 0.828 1.00 0.00 C ATOM 765 CD1 LEU A 49 3.552 -8.837 1.540 1.00 0.00 C ATOM 766 CD2 LEU A 49 1.143 -7.999 1.603 1.00 0.00 C ATOM 0 H LEU A 49 3.872 -4.265 0.094 1.00 0.00 H new ATOM 0 HA LEU A 49 5.088 -6.791 0.606 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.976 -6.009 1.601 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.222 -5.978 0.019 1.00 0.00 H new ATOM 0 HG LEU A 49 2.320 -8.407 -0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.178 -9.854 1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.462 -8.854 0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.770 -8.412 2.520 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.820 -9.032 1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.279 -7.534 2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.386 -7.451 1.042 1.00 0.00 H new ATOM 778 N TYR A 50 3.959 -6.217 -2.451 1.00 0.00 N ATOM 779 CA TYR A 50 4.071 -6.633 -3.857 1.00 0.00 C ATOM 780 C TYR A 50 5.543 -6.777 -4.281 1.00 0.00 C ATOM 781 O TYR A 50 5.900 -7.761 -4.913 1.00 0.00 O ATOM 782 CB TYR A 50 3.340 -5.640 -4.796 1.00 0.00 C ATOM 783 CG TYR A 50 1.805 -5.715 -4.772 1.00 0.00 C ATOM 784 CD1 TYR A 50 1.140 -6.949 -4.768 1.00 0.00 C ATOM 785 CD2 TYR A 50 1.022 -4.559 -4.818 1.00 0.00 C ATOM 786 CE1 TYR A 50 -0.240 -7.014 -4.790 1.00 0.00 C ATOM 787 CE2 TYR A 50 -0.352 -4.628 -4.834 1.00 0.00 C ATOM 788 CZ TYR A 50 -0.977 -5.851 -4.829 1.00 0.00 C ATOM 789 OH TYR A 50 -2.351 -5.907 -4.840 1.00 0.00 O ATOM 0 H TYR A 50 3.493 -5.318 -2.326 1.00 0.00 H new ATOM 0 HA TYR A 50 3.591 -7.608 -3.945 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.641 -4.627 -4.530 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.679 -5.816 -5.817 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.715 -7.863 -4.747 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.504 -3.593 -4.841 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.738 -7.972 -4.777 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -0.939 -3.721 -4.850 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.645 -6.787 -4.526 1.00 0.00 H new ATOM 799 N GLU A 51 6.394 -5.808 -3.901 1.00 0.00 N ATOM 800 CA GLU A 51 7.846 -5.844 -4.208 1.00 0.00 C ATOM 801 C GLU A 51 8.517 -7.096 -3.597 1.00 0.00 C ATOM 802 O GLU A 51 9.393 -7.715 -4.218 1.00 0.00 O ATOM 803 CB GLU A 51 8.551 -4.564 -3.693 1.00 0.00 C ATOM 804 CG GLU A 51 8.140 -3.260 -4.408 1.00 0.00 C ATOM 805 CD GLU A 51 8.949 -2.044 -3.926 1.00 0.00 C ATOM 806 OE1 GLU A 51 10.147 -1.951 -4.277 1.00 0.00 O ATOM 807 OE2 GLU A 51 8.418 -1.199 -3.160 1.00 0.00 O ATOM 0 H GLU A 51 6.104 -4.982 -3.377 1.00 0.00 H new ATOM 0 HA GLU A 51 7.949 -5.891 -5.292 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.344 -4.457 -2.628 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.628 -4.694 -3.797 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.276 -3.380 -5.483 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.079 -3.076 -4.240 1.00 0.00 H new ATOM 814 N ARG A 52 8.066 -7.468 -2.379 1.00 0.00 N ATOM 815 CA ARG A 52 8.523 -8.684 -1.675 1.00 0.00 C ATOM 816 C ARG A 52 8.070 -9.960 -2.417 1.00 0.00 C ATOM 817 O ARG A 52 8.840 -10.922 -2.554 1.00 0.00 O ATOM 818 CB ARG A 52 7.982 -8.710 -0.224 1.00 0.00 C ATOM 819 CG ARG A 52 8.464 -7.543 0.666 1.00 0.00 C ATOM 820 CD ARG A 52 8.004 -7.694 2.122 1.00 0.00 C ATOM 821 NE ARG A 52 8.473 -8.973 2.696 1.00 0.00 N ATOM 822 CZ ARG A 52 8.188 -9.435 3.916 1.00 0.00 C ATOM 823 NH1 ARG A 52 7.455 -8.727 4.765 1.00 0.00 N ATOM 824 NH2 ARG A 52 8.649 -10.619 4.285 1.00 0.00 N ATOM 0 H ARG A 52 7.373 -6.932 -1.856 1.00 0.00 H new ATOM 0 HA ARG A 52 9.613 -8.661 -1.652 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.893 -8.698 -0.257 1.00 0.00 H new ATOM 0 HB3 ARG A 52 8.277 -9.650 0.242 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.552 -7.490 0.635 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.087 -6.602 0.264 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.386 -6.863 2.716 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.916 -7.647 2.170 1.00 0.00 H new ATOM 0 HE ARG A 52 9.068 -9.555 2.107 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.098 -7.812 4.490 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.248 -9.098 5.693 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.216 -11.169 3.640 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.437 -10.982 5.215 1.00 0.00 H new ATOM 838 N LEU A 53 6.833 -9.922 -2.943 1.00 0.00 N ATOM 839 CA LEU A 53 6.207 -11.063 -3.654 1.00 0.00 C ATOM 840 C LEU A 53 6.567 -11.086 -5.162 1.00 0.00 C ATOM 841 O LEU A 53 5.925 -11.809 -5.939 1.00 0.00 O ATOM 842 CB LEU A 53 4.664 -11.002 -3.460 1.00 0.00 C ATOM 843 CG LEU A 53 4.159 -11.092 -1.983 1.00 0.00 C ATOM 844 CD1 LEU A 53 2.624 -10.962 -1.895 1.00 0.00 C ATOM 845 CD2 LEU A 53 4.648 -12.390 -1.298 1.00 0.00 C ATOM 0 H LEU A 53 6.233 -9.099 -2.890 1.00 0.00 H new ATOM 0 HA LEU A 53 6.599 -11.986 -3.226 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.299 -10.070 -3.893 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.213 -11.815 -4.028 1.00 0.00 H new ATOM 0 HG LEU A 53 4.590 -10.248 -1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.312 -11.030 -0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.316 -10.000 -2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.158 -11.765 -2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.280 -12.421 -0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.272 -13.254 -1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.738 -12.410 -1.293 1.00 0.00 H new ATOM 857 N ASP A 54 7.595 -10.289 -5.555 1.00 0.00 N ATOM 858 CA ASP A 54 8.112 -10.183 -6.949 1.00 0.00 C ATOM 859 C ASP A 54 7.055 -9.594 -7.936 1.00 0.00 C ATOM 860 O ASP A 54 7.252 -9.565 -9.151 1.00 0.00 O ATOM 861 CB ASP A 54 8.680 -11.562 -7.427 1.00 0.00 C ATOM 862 CG ASP A 54 9.556 -11.483 -8.693 1.00 0.00 C ATOM 863 OD1 ASP A 54 10.545 -10.715 -8.688 1.00 0.00 O ATOM 864 OD2 ASP A 54 9.273 -12.174 -9.697 1.00 0.00 O ATOM 0 H ASP A 54 8.098 -9.690 -4.901 1.00 0.00 H new ATOM 0 HA ASP A 54 8.935 -9.468 -6.946 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.267 -11.999 -6.620 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.847 -12.239 -7.618 1.00 0.00 H new ATOM 869 N ARG A 55 5.973 -9.055 -7.364 1.00 0.00 N ATOM 870 CA ARG A 55 4.835 -8.494 -8.111 1.00 0.00 C ATOM 871 C ARG A 55 5.059 -6.991 -8.370 1.00 0.00 C ATOM 872 O ARG A 55 4.363 -6.134 -7.823 1.00 0.00 O ATOM 873 CB ARG A 55 3.506 -8.767 -7.350 1.00 0.00 C ATOM 874 CG ARG A 55 3.160 -10.262 -7.162 1.00 0.00 C ATOM 875 CD ARG A 55 3.155 -11.043 -8.495 1.00 0.00 C ATOM 876 NE ARG A 55 2.297 -10.404 -9.515 1.00 0.00 N ATOM 877 CZ ARG A 55 2.406 -10.559 -10.844 1.00 0.00 C ATOM 878 NH1 ARG A 55 3.307 -11.383 -11.373 1.00 0.00 N ATOM 879 NH2 ARG A 55 1.601 -9.876 -11.645 1.00 0.00 N ATOM 0 H ARG A 55 5.859 -8.994 -6.352 1.00 0.00 H new ATOM 0 HA ARG A 55 4.760 -8.984 -9.082 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.563 -8.296 -6.369 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.690 -8.285 -7.889 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.881 -10.715 -6.482 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.181 -10.348 -6.691 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.174 -11.116 -8.875 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.807 -12.061 -8.316 1.00 0.00 H new ATOM 0 HE ARG A 55 1.555 -9.790 -9.179 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.933 -11.912 -10.766 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.372 -11.485 -12.386 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.908 -9.241 -11.250 1.00 0.00 H new ATOM 0 HH22 ARG A 55 1.675 -9.986 -12.656 1.00 0.00 H new ATOM 893 N THR A 56 6.068 -6.707 -9.204 1.00 0.00 N ATOM 894 CA THR A 56 6.466 -5.343 -9.578 1.00 0.00 C ATOM 895 C THR A 56 5.343 -4.609 -10.350 1.00 0.00 C ATOM 896 O THR A 56 5.073 -3.442 -10.064 1.00 0.00 O ATOM 897 CB THR A 56 7.783 -5.381 -10.419 1.00 0.00 C ATOM 898 OG1 THR A 56 8.801 -6.074 -9.678 1.00 0.00 O ATOM 899 CG2 THR A 56 8.290 -3.977 -10.801 1.00 0.00 C ATOM 0 H THR A 56 6.639 -7.428 -9.644 1.00 0.00 H new ATOM 0 HA THR A 56 6.646 -4.782 -8.661 1.00 0.00 H new ATOM 0 HB THR A 56 7.558 -5.904 -11.349 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.627 -6.101 -10.204 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.207 -4.067 -11.384 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.532 -3.465 -11.394 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.490 -3.404 -9.896 1.00 0.00 H new ATOM 907 N ASP A 57 4.650 -5.324 -11.267 1.00 0.00 N ATOM 908 CA ASP A 57 3.553 -4.745 -12.091 1.00 0.00 C ATOM 909 C ASP A 57 2.442 -4.181 -11.194 1.00 0.00 C ATOM 910 O ASP A 57 1.951 -3.060 -11.401 1.00 0.00 O ATOM 911 CB ASP A 57 2.942 -5.808 -13.040 1.00 0.00 C ATOM 912 CG ASP A 57 3.881 -6.228 -14.174 1.00 0.00 C ATOM 913 OD1 ASP A 57 4.682 -7.161 -13.987 1.00 0.00 O ATOM 914 OD2 ASP A 57 3.816 -5.636 -15.267 1.00 0.00 O ATOM 0 H ASP A 57 4.830 -6.310 -11.458 1.00 0.00 H new ATOM 0 HA ASP A 57 3.986 -3.942 -12.688 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.671 -6.689 -12.459 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.021 -5.414 -13.469 1.00 0.00 H new ATOM 919 N ASP A 58 2.074 -4.992 -10.194 1.00 0.00 N ATOM 920 CA ASP A 58 1.067 -4.653 -9.186 1.00 0.00 C ATOM 921 C ASP A 58 1.511 -3.440 -8.365 1.00 0.00 C ATOM 922 O ASP A 58 0.733 -2.507 -8.161 1.00 0.00 O ATOM 923 CB ASP A 58 0.849 -5.855 -8.242 1.00 0.00 C ATOM 924 CG ASP A 58 0.283 -7.092 -8.932 1.00 0.00 C ATOM 925 OD1 ASP A 58 0.999 -7.714 -9.742 1.00 0.00 O ATOM 926 OD2 ASP A 58 -0.883 -7.461 -8.675 1.00 0.00 O ATOM 0 H ASP A 58 2.477 -5.920 -10.062 1.00 0.00 H new ATOM 0 HA ASP A 58 0.136 -4.411 -9.698 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.799 -6.115 -7.776 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.172 -5.557 -7.441 1.00 0.00 H new ATOM 931 N ALA A 59 2.793 -3.471 -7.934 1.00 0.00 N ATOM 932 CA ALA A 59 3.389 -2.440 -7.070 1.00 0.00 C ATOM 933 C ALA A 59 3.286 -1.050 -7.708 1.00 0.00 C ATOM 934 O ALA A 59 2.735 -0.139 -7.095 1.00 0.00 O ATOM 935 CB ALA A 59 4.854 -2.795 -6.746 1.00 0.00 C ATOM 0 H ALA A 59 3.442 -4.218 -8.180 1.00 0.00 H new ATOM 0 HA ALA A 59 2.827 -2.412 -6.137 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.282 -2.024 -6.106 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.890 -3.755 -6.231 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.426 -2.858 -7.671 1.00 0.00 H new ATOM 941 N ILE A 60 3.765 -0.923 -8.962 1.00 0.00 N ATOM 942 CA ILE A 60 3.840 0.376 -9.679 1.00 0.00 C ATOM 943 C ILE A 60 2.442 0.989 -9.860 1.00 0.00 C ATOM 944 O ILE A 60 2.260 2.197 -9.693 1.00 0.00 O ATOM 945 CB ILE A 60 4.529 0.250 -11.098 1.00 0.00 C ATOM 946 CG1 ILE A 60 5.864 -0.552 -11.019 1.00 0.00 C ATOM 947 CG2 ILE A 60 4.778 1.645 -11.725 1.00 0.00 C ATOM 948 CD1 ILE A 60 6.853 -0.038 -9.994 1.00 0.00 C ATOM 0 H ILE A 60 4.111 -1.712 -9.509 1.00 0.00 H new ATOM 0 HA ILE A 60 4.454 1.026 -9.056 1.00 0.00 H new ATOM 0 HB ILE A 60 3.841 -0.301 -11.740 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.634 -1.593 -10.791 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.339 -0.538 -12.000 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.252 1.527 -12.699 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.828 2.165 -11.845 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.430 2.226 -11.072 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.750 -0.657 -10.011 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.119 0.992 -10.230 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.403 -0.079 -9.002 1.00 0.00 H new ATOM 960 N ASP A 61 1.463 0.124 -10.180 1.00 0.00 N ATOM 961 CA ASP A 61 0.072 0.544 -10.429 1.00 0.00 C ATOM 962 C ASP A 61 -0.610 0.986 -9.120 1.00 0.00 C ATOM 963 O ASP A 61 -1.402 1.930 -9.110 1.00 0.00 O ATOM 964 CB ASP A 61 -0.724 -0.605 -11.107 1.00 0.00 C ATOM 965 CG ASP A 61 -2.098 -0.143 -11.639 1.00 0.00 C ATOM 966 OD1 ASP A 61 -2.129 0.546 -12.682 1.00 0.00 O ATOM 967 OD2 ASP A 61 -3.142 -0.453 -11.022 1.00 0.00 O ATOM 0 H ASP A 61 1.612 -0.881 -10.273 1.00 0.00 H new ATOM 0 HA ASP A 61 0.085 1.400 -11.104 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.137 -1.011 -11.931 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.869 -1.413 -10.390 1.00 0.00 H new ATOM 972 N THR A 62 -0.262 0.300 -8.017 1.00 0.00 N ATOM 973 CA THR A 62 -0.769 0.603 -6.665 1.00 0.00 C ATOM 974 C THR A 62 -0.196 1.946 -6.146 1.00 0.00 C ATOM 975 O THR A 62 -0.916 2.739 -5.532 1.00 0.00 O ATOM 976 CB THR A 62 -0.425 -0.575 -5.689 1.00 0.00 C ATOM 977 OG1 THR A 62 -1.070 -1.778 -6.148 1.00 0.00 O ATOM 978 CG2 THR A 62 -0.850 -0.313 -4.238 1.00 0.00 C ATOM 0 H THR A 62 0.385 -0.488 -8.038 1.00 0.00 H new ATOM 0 HA THR A 62 -1.853 0.708 -6.713 1.00 0.00 H new ATOM 0 HB THR A 62 0.660 -0.675 -5.694 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.548 -2.170 -6.879 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.581 -1.169 -3.620 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.343 0.577 -3.865 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.928 -0.160 -4.197 1.00 0.00 H new ATOM 986 N TYR A 63 1.100 2.190 -6.417 1.00 0.00 N ATOM 987 CA TYR A 63 1.765 3.470 -6.091 1.00 0.00 C ATOM 988 C TYR A 63 1.179 4.619 -6.927 1.00 0.00 C ATOM 989 O TYR A 63 0.984 5.709 -6.408 1.00 0.00 O ATOM 990 CB TYR A 63 3.300 3.380 -6.288 1.00 0.00 C ATOM 991 CG TYR A 63 4.019 2.489 -5.258 1.00 0.00 C ATOM 992 CD1 TYR A 63 3.864 2.717 -3.891 1.00 0.00 C ATOM 993 CD2 TYR A 63 4.850 1.430 -5.643 1.00 0.00 C ATOM 994 CE1 TYR A 63 4.502 1.933 -2.960 1.00 0.00 C ATOM 995 CE2 TYR A 63 5.488 0.643 -4.703 1.00 0.00 C ATOM 996 CZ TYR A 63 5.305 0.905 -3.364 1.00 0.00 C ATOM 997 OH TYR A 63 5.921 0.132 -2.415 1.00 0.00 O ATOM 0 H TYR A 63 1.715 1.511 -6.866 1.00 0.00 H new ATOM 0 HA TYR A 63 1.577 3.678 -5.038 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.505 2.997 -7.288 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.721 4.384 -6.239 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.230 3.525 -3.558 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.995 1.224 -6.693 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.368 2.130 -1.907 1.00 0.00 H new ATOM 0 HE2 TYR A 63 6.125 -0.171 -5.016 1.00 0.00 H new ATOM 0 HH TYR A 63 6.683 -0.334 -2.817 1.00 0.00 H new ATOM 1007 N ALA A 64 0.893 4.343 -8.216 1.00 0.00 N ATOM 1008 CA ALA A 64 0.265 5.307 -9.145 1.00 0.00 C ATOM 1009 C ALA A 64 -1.138 5.729 -8.662 1.00 0.00 C ATOM 1010 O ALA A 64 -1.493 6.912 -8.711 1.00 0.00 O ATOM 1011 CB ALA A 64 0.202 4.707 -10.558 1.00 0.00 C ATOM 0 H ALA A 64 1.092 3.439 -8.645 1.00 0.00 H new ATOM 0 HA ALA A 64 0.880 6.206 -9.170 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.262 5.423 -11.237 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.211 4.481 -10.903 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.388 3.791 -10.538 1.00 0.00 H new ATOM 1017 N GLN A 65 -1.917 4.736 -8.189 1.00 0.00 N ATOM 1018 CA GLN A 65 -3.231 4.963 -7.552 1.00 0.00 C ATOM 1019 C GLN A 65 -3.081 5.814 -6.282 1.00 0.00 C ATOM 1020 O GLN A 65 -3.865 6.745 -6.040 1.00 0.00 O ATOM 1021 CB GLN A 65 -3.906 3.605 -7.204 1.00 0.00 C ATOM 1022 CG GLN A 65 -4.486 2.836 -8.420 1.00 0.00 C ATOM 1023 CD GLN A 65 -5.901 3.273 -8.854 1.00 0.00 C ATOM 1024 OE1 GLN A 65 -6.657 2.471 -9.397 1.00 0.00 O ATOM 1025 NE2 GLN A 65 -6.286 4.528 -8.638 1.00 0.00 N ATOM 0 H GLN A 65 -1.653 3.752 -8.238 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.862 5.502 -8.259 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.175 2.969 -6.705 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.709 3.787 -6.490 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.809 2.959 -9.265 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.508 1.773 -8.181 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.651 5.186 -8.186 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.217 4.832 -8.924 1.00 0.00 H new ATOM 1034 N GLY A 66 -2.063 5.461 -5.489 1.00 0.00 N ATOM 1035 CA GLY A 66 -1.718 6.170 -4.271 1.00 0.00 C ATOM 1036 C GLY A 66 -1.374 7.630 -4.504 1.00 0.00 C ATOM 1037 O GLY A 66 -1.776 8.469 -3.723 1.00 0.00 O ATOM 0 H GLY A 66 -1.455 4.666 -5.685 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.553 6.107 -3.573 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.870 5.675 -3.798 1.00 0.00 H new ATOM 1041 N ILE A 67 -0.640 7.909 -5.594 1.00 0.00 N ATOM 1042 CA ILE A 67 -0.183 9.268 -5.973 1.00 0.00 C ATOM 1043 C ILE A 67 -1.365 10.251 -6.093 1.00 0.00 C ATOM 1044 O ILE A 67 -1.312 11.377 -5.570 1.00 0.00 O ATOM 1045 CB ILE A 67 0.638 9.199 -7.327 1.00 0.00 C ATOM 1046 CG1 ILE A 67 2.064 8.626 -7.059 1.00 0.00 C ATOM 1047 CG2 ILE A 67 0.717 10.559 -8.081 1.00 0.00 C ATOM 1048 CD1 ILE A 67 2.895 8.399 -8.302 1.00 0.00 C ATOM 0 H ILE A 67 -0.340 7.189 -6.251 1.00 0.00 H new ATOM 0 HA ILE A 67 0.467 9.644 -5.183 1.00 0.00 H new ATOM 0 HB ILE A 67 0.092 8.527 -7.989 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.599 9.311 -6.401 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.967 7.681 -6.525 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.294 10.434 -8.997 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.289 10.897 -8.329 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.202 11.300 -7.445 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.869 8.000 -8.020 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.387 7.689 -8.955 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.028 9.344 -8.828 1.00 0.00 H new ATOM 1060 N GLU A 68 -2.433 9.783 -6.746 1.00 0.00 N ATOM 1061 CA GLU A 68 -3.631 10.581 -7.022 1.00 0.00 C ATOM 1062 C GLU A 68 -4.305 11.029 -5.715 1.00 0.00 C ATOM 1063 O GLU A 68 -4.667 12.189 -5.547 1.00 0.00 O ATOM 1064 CB GLU A 68 -4.611 9.763 -7.896 1.00 0.00 C ATOM 1065 CG GLU A 68 -3.978 9.216 -9.194 1.00 0.00 C ATOM 1066 CD GLU A 68 -4.931 8.331 -10.010 1.00 0.00 C ATOM 1067 OE1 GLU A 68 -5.095 7.141 -9.659 1.00 0.00 O ATOM 1068 OE2 GLU A 68 -5.523 8.814 -10.995 1.00 0.00 O ATOM 0 H GLU A 68 -2.490 8.829 -7.102 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.339 11.479 -7.566 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.996 8.928 -7.310 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.464 10.391 -8.155 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.653 10.053 -9.812 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.087 8.641 -8.941 1.00 0.00 H new ATOM 1075 N VAL A 69 -4.432 10.084 -4.789 1.00 0.00 N ATOM 1076 CA VAL A 69 -5.060 10.322 -3.478 1.00 0.00 C ATOM 1077 C VAL A 69 -4.083 10.923 -2.443 1.00 0.00 C ATOM 1078 O VAL A 69 -4.525 11.475 -1.446 1.00 0.00 O ATOM 1079 CB VAL A 69 -5.755 9.030 -2.935 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -6.823 8.536 -3.939 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -4.740 7.913 -2.604 1.00 0.00 C ATOM 0 H VAL A 69 -4.104 9.127 -4.919 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.832 11.074 -3.638 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.247 9.289 -1.998 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.300 7.636 -3.550 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.575 9.312 -4.082 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.348 8.311 -4.894 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.271 7.037 -2.231 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.187 7.645 -3.504 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.045 8.267 -1.843 1.00 0.00 H new ATOM 1091 N ALA A 70 -2.765 10.796 -2.675 1.00 0.00 N ATOM 1092 CA ALA A 70 -1.722 11.270 -1.730 1.00 0.00 C ATOM 1093 C ALA A 70 -1.626 12.795 -1.729 1.00 0.00 C ATOM 1094 O ALA A 70 -1.552 13.419 -0.672 1.00 0.00 O ATOM 1095 CB ALA A 70 -0.361 10.662 -2.066 1.00 0.00 C ATOM 0 H ALA A 70 -2.387 10.364 -3.518 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.015 10.942 -0.732 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.385 11.026 -1.359 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.422 9.576 -2.002 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.073 10.951 -3.077 1.00 0.00 H new ATOM 1101 N ARG A 71 -1.624 13.369 -2.938 1.00 0.00 N ATOM 1102 CA ARG A 71 -1.540 14.830 -3.150 1.00 0.00 C ATOM 1103 C ARG A 71 -2.791 15.556 -2.603 1.00 0.00 C ATOM 1104 O ARG A 71 -2.705 16.713 -2.168 1.00 0.00 O ATOM 1105 CB ARG A 71 -1.346 15.119 -4.662 1.00 0.00 C ATOM 1106 CG ARG A 71 -2.482 14.595 -5.565 1.00 0.00 C ATOM 1107 CD ARG A 71 -2.177 14.747 -7.062 1.00 0.00 C ATOM 1108 NE ARG A 71 -3.260 14.207 -7.914 1.00 0.00 N ATOM 1109 CZ ARG A 71 -3.090 13.502 -9.049 1.00 0.00 C ATOM 1110 NH1 ARG A 71 -1.873 13.158 -9.463 1.00 0.00 N ATOM 1111 NH2 ARG A 71 -4.148 13.114 -9.745 1.00 0.00 N ATOM 0 H ARG A 71 -1.681 12.835 -3.805 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.683 15.215 -2.597 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.254 16.196 -4.804 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.406 14.673 -4.986 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.661 13.543 -5.341 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.402 15.131 -5.331 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.026 15.801 -7.295 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.244 14.233 -7.294 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.219 14.384 -7.616 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.054 13.428 -8.919 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.759 12.624 -10.325 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.086 13.349 -9.421 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.025 12.580 -10.605 1.00 0.00 H new ATOM 1125 N GLU A 72 -3.945 14.864 -2.631 1.00 0.00 N ATOM 1126 CA GLU A 72 -5.235 15.426 -2.193 1.00 0.00 C ATOM 1127 C GLU A 72 -5.502 15.192 -0.690 1.00 0.00 C ATOM 1128 O GLU A 72 -5.760 16.145 0.053 1.00 0.00 O ATOM 1129 CB GLU A 72 -6.366 14.836 -3.070 1.00 0.00 C ATOM 1130 CG GLU A 72 -6.255 15.236 -4.565 1.00 0.00 C ATOM 1131 CD GLU A 72 -7.320 14.597 -5.464 1.00 0.00 C ATOM 1132 OE1 GLU A 72 -8.525 14.833 -5.234 1.00 0.00 O ATOM 1133 OE2 GLU A 72 -6.962 13.877 -6.422 1.00 0.00 O ATOM 0 H GLU A 72 -4.009 13.900 -2.958 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.202 16.508 -2.323 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.349 13.749 -2.990 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.329 15.169 -2.682 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.329 16.320 -4.646 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.268 14.955 -4.933 1.00 0.00 H new ATOM 1140 N GLU A 73 -5.420 13.925 -0.254 1.00 0.00 N ATOM 1141 CA GLU A 73 -5.761 13.515 1.127 1.00 0.00 C ATOM 1142 C GLU A 73 -4.603 13.749 2.095 1.00 0.00 C ATOM 1143 O GLU A 73 -4.788 14.382 3.140 1.00 0.00 O ATOM 1144 CB GLU A 73 -6.215 12.036 1.161 1.00 0.00 C ATOM 1145 CG GLU A 73 -7.482 11.758 0.335 1.00 0.00 C ATOM 1146 CD GLU A 73 -8.727 12.523 0.838 1.00 0.00 C ATOM 1147 OE1 GLU A 73 -9.448 11.999 1.715 1.00 0.00 O ATOM 1148 OE2 GLU A 73 -8.990 13.658 0.364 1.00 0.00 O ATOM 0 H GLU A 73 -5.116 13.152 -0.846 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.590 14.141 1.457 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.405 11.408 0.790 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.396 11.744 2.196 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.295 12.028 -0.704 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.691 10.688 0.354 1.00 0.00 H new ATOM 1155 N GLY A 74 -3.405 13.245 1.752 1.00 0.00 N ATOM 1156 CA GLY A 74 -2.225 13.431 2.601 1.00 0.00 C ATOM 1157 C GLY A 74 -1.491 14.717 2.246 1.00 0.00 C ATOM 1158 O GLY A 74 -2.076 15.624 1.642 1.00 0.00 O ATOM 0 H GLY A 74 -3.233 12.711 0.900 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.527 13.458 3.648 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.552 12.581 2.485 1.00 0.00 H new ATOM 1162 N THR A 75 -0.216 14.807 2.624 1.00 0.00 N ATOM 1163 CA THR A 75 0.651 15.946 2.271 1.00 0.00 C ATOM 1164 C THR A 75 1.529 15.581 1.058 1.00 0.00 C ATOM 1165 O THR A 75 1.442 14.461 0.530 1.00 0.00 O ATOM 1166 CB THR A 75 1.542 16.361 3.489 1.00 0.00 C ATOM 1167 OG1 THR A 75 2.417 15.286 3.866 1.00 0.00 O ATOM 1168 CG2 THR A 75 0.699 16.777 4.705 1.00 0.00 C ATOM 0 H THR A 75 0.251 14.094 3.185 1.00 0.00 H new ATOM 0 HA THR A 75 0.022 16.796 2.008 1.00 0.00 H new ATOM 0 HB THR A 75 2.131 17.221 3.170 1.00 0.00 H new ATOM 0 HG1 THR A 75 1.914 14.445 3.883 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.359 17.057 5.526 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.071 17.627 4.439 1.00 0.00 H new ATOM 0 HG23 THR A 75 0.069 15.943 5.014 1.00 0.00 H new ATOM 1176 N GLN A 76 2.390 16.527 0.621 1.00 0.00 N ATOM 1177 CA GLN A 76 3.348 16.290 -0.480 1.00 0.00 C ATOM 1178 C GLN A 76 4.443 15.284 -0.045 1.00 0.00 C ATOM 1179 O GLN A 76 5.130 14.720 -0.889 1.00 0.00 O ATOM 1180 CB GLN A 76 3.981 17.626 -0.951 1.00 0.00 C ATOM 1181 CG GLN A 76 4.772 17.537 -2.280 1.00 0.00 C ATOM 1182 CD GLN A 76 5.491 18.834 -2.676 1.00 0.00 C ATOM 1183 OE1 GLN A 76 5.917 19.613 -1.823 1.00 0.00 O ATOM 1184 NE2 GLN A 76 5.641 19.063 -3.976 1.00 0.00 N ATOM 0 H GLN A 76 2.440 17.466 1.017 1.00 0.00 H new ATOM 0 HA GLN A 76 2.805 15.857 -1.320 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.189 18.367 -1.065 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.649 17.990 -0.171 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.509 16.738 -2.198 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.086 17.257 -3.079 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.276 18.397 -4.657 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.121 19.905 -4.293 1.00 0.00 H new ATOM 1193 N LYS A 77 4.589 15.080 1.284 1.00 0.00 N ATOM 1194 CA LYS A 77 5.476 14.054 1.862 1.00 0.00 C ATOM 1195 C LYS A 77 4.995 12.641 1.473 1.00 0.00 C ATOM 1196 O LYS A 77 5.783 11.825 0.987 1.00 0.00 O ATOM 1197 CB LYS A 77 5.523 14.193 3.403 1.00 0.00 C ATOM 1198 CG LYS A 77 6.402 13.137 4.120 1.00 0.00 C ATOM 1199 CD LYS A 77 6.402 13.321 5.650 1.00 0.00 C ATOM 1200 CE LYS A 77 7.256 12.267 6.373 1.00 0.00 C ATOM 1201 NZ LYS A 77 7.254 12.463 7.840 1.00 0.00 N ATOM 0 H LYS A 77 4.091 15.627 1.986 1.00 0.00 H new ATOM 0 HA LYS A 77 6.479 14.202 1.463 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.895 15.187 3.654 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.507 14.125 3.792 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.039 12.139 3.876 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.424 13.204 3.748 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.777 14.315 5.892 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.378 13.268 6.018 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.878 11.272 6.140 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.280 12.314 6.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.841 11.732 8.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.639 13.403 8.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.280 12.393 8.198 1.00 0.00 H new ATOM 1215 N ASP A 78 3.685 12.394 1.680 1.00 0.00 N ATOM 1216 CA ASP A 78 3.003 11.133 1.298 1.00 0.00 C ATOM 1217 C ASP A 78 3.179 10.861 -0.200 1.00 0.00 C ATOM 1218 O ASP A 78 3.571 9.760 -0.618 1.00 0.00 O ATOM 1219 CB ASP A 78 1.488 11.238 1.612 1.00 0.00 C ATOM 1220 CG ASP A 78 1.178 11.396 3.104 1.00 0.00 C ATOM 1221 OD1 ASP A 78 1.426 12.490 3.654 1.00 0.00 O ATOM 1222 OD2 ASP A 78 0.687 10.444 3.734 1.00 0.00 O ATOM 0 H ASP A 78 3.061 13.070 2.122 1.00 0.00 H new ATOM 0 HA ASP A 78 3.447 10.317 1.868 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.072 12.088 1.071 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.986 10.346 1.238 1.00 0.00 H new ATOM 1227 N LEU A 79 2.916 11.917 -0.981 1.00 0.00 N ATOM 1228 CA LEU A 79 3.062 11.921 -2.433 1.00 0.00 C ATOM 1229 C LEU A 79 4.503 11.570 -2.842 1.00 0.00 C ATOM 1230 O LEU A 79 4.722 10.723 -3.715 1.00 0.00 O ATOM 1231 CB LEU A 79 2.674 13.317 -2.976 1.00 0.00 C ATOM 1232 CG LEU A 79 2.732 13.489 -4.520 1.00 0.00 C ATOM 1233 CD1 LEU A 79 1.739 12.547 -5.215 1.00 0.00 C ATOM 1234 CD2 LEU A 79 2.488 14.954 -4.925 1.00 0.00 C ATOM 0 H LEU A 79 2.589 12.808 -0.608 1.00 0.00 H new ATOM 0 HA LEU A 79 2.402 11.165 -2.859 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.662 13.546 -2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.334 14.057 -2.523 1.00 0.00 H new ATOM 0 HG LEU A 79 3.735 13.218 -4.850 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.799 12.687 -6.294 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.984 11.514 -4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.727 12.770 -4.876 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.534 15.044 -6.010 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.504 15.269 -4.577 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.252 15.588 -4.475 1.00 0.00 H new ATOM 1246 N SER A 80 5.463 12.207 -2.152 1.00 0.00 N ATOM 1247 CA SER A 80 6.899 12.077 -2.425 1.00 0.00 C ATOM 1248 C SER A 80 7.372 10.631 -2.253 1.00 0.00 C ATOM 1249 O SER A 80 8.141 10.147 -3.073 1.00 0.00 O ATOM 1250 CB SER A 80 7.698 13.011 -1.488 1.00 0.00 C ATOM 1251 OG SER A 80 9.100 12.977 -1.728 1.00 0.00 O ATOM 0 H SER A 80 5.257 12.837 -1.376 1.00 0.00 H new ATOM 0 HA SER A 80 7.074 12.365 -3.462 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.339 14.033 -1.611 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.506 12.728 -0.453 1.00 0.00 H new ATOM 0 HG SER A 80 9.553 13.587 -1.109 1.00 0.00 H new ATOM 1257 N GLU A 81 6.876 9.955 -1.201 1.00 0.00 N ATOM 1258 CA GLU A 81 7.300 8.590 -0.845 1.00 0.00 C ATOM 1259 C GLU A 81 6.730 7.534 -1.807 1.00 0.00 C ATOM 1260 O GLU A 81 7.363 6.503 -2.032 1.00 0.00 O ATOM 1261 CB GLU A 81 6.896 8.282 0.617 1.00 0.00 C ATOM 1262 CG GLU A 81 7.556 9.198 1.672 1.00 0.00 C ATOM 1263 CD GLU A 81 9.095 9.112 1.688 1.00 0.00 C ATOM 1264 OE1 GLU A 81 9.641 8.230 2.380 1.00 0.00 O ATOM 1265 OE2 GLU A 81 9.768 9.915 1.001 1.00 0.00 O ATOM 0 H GLU A 81 6.170 10.340 -0.574 1.00 0.00 H new ATOM 0 HA GLU A 81 8.385 8.542 -0.936 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.813 8.368 0.707 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.154 7.247 0.841 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.260 10.230 1.481 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.175 8.934 2.659 1.00 0.00 H new ATOM 1272 N LEU A 82 5.529 7.786 -2.347 1.00 0.00 N ATOM 1273 CA LEU A 82 4.891 6.887 -3.343 1.00 0.00 C ATOM 1274 C LEU A 82 5.547 7.012 -4.733 1.00 0.00 C ATOM 1275 O LEU A 82 5.722 6.007 -5.438 1.00 0.00 O ATOM 1276 CB LEU A 82 3.383 7.183 -3.417 1.00 0.00 C ATOM 1277 CG LEU A 82 2.596 6.886 -2.101 1.00 0.00 C ATOM 1278 CD1 LEU A 82 1.149 7.361 -2.198 1.00 0.00 C ATOM 1279 CD2 LEU A 82 2.650 5.388 -1.737 1.00 0.00 C ATOM 0 H LEU A 82 4.971 8.607 -2.115 1.00 0.00 H new ATOM 0 HA LEU A 82 5.038 5.858 -3.016 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.245 8.232 -3.679 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.950 6.593 -4.225 1.00 0.00 H new ATOM 0 HG LEU A 82 3.084 7.446 -1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.630 7.139 -1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.130 8.436 -2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.652 6.848 -3.021 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.092 5.217 -0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.209 4.802 -2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.687 5.085 -1.594 1.00 0.00 H new ATOM 1291 N GLN A 83 5.915 8.252 -5.097 1.00 0.00 N ATOM 1292 CA GLN A 83 6.668 8.556 -6.332 1.00 0.00 C ATOM 1293 C GLN A 83 8.089 7.965 -6.239 1.00 0.00 C ATOM 1294 O GLN A 83 8.624 7.421 -7.214 1.00 0.00 O ATOM 1295 CB GLN A 83 6.733 10.093 -6.541 1.00 0.00 C ATOM 1296 CG GLN A 83 5.375 10.768 -6.836 1.00 0.00 C ATOM 1297 CD GLN A 83 5.420 12.303 -6.858 1.00 0.00 C ATOM 1298 OE1 GLN A 83 4.691 12.947 -7.614 1.00 0.00 O ATOM 1299 NE2 GLN A 83 6.224 12.901 -5.988 1.00 0.00 N ATOM 0 H GLN A 83 5.698 9.079 -4.541 1.00 0.00 H new ATOM 0 HA GLN A 83 6.159 8.107 -7.185 1.00 0.00 H new ATOM 0 HB2 GLN A 83 7.162 10.548 -5.649 1.00 0.00 H new ATOM 0 HB3 GLN A 83 7.414 10.304 -7.366 1.00 0.00 H new ATOM 0 HG2 GLN A 83 5.009 10.414 -7.800 1.00 0.00 H new ATOM 0 HG3 GLN A 83 4.654 10.449 -6.084 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.817 12.342 -5.374 1.00 0.00 H new ATOM 0 HE22 GLN A 83 6.249 13.919 -5.933 1.00 0.00 H new ATOM 1308 N ASP A 84 8.660 8.080 -5.032 1.00 0.00 N ATOM 1309 CA ASP A 84 9.978 7.533 -4.665 1.00 0.00 C ATOM 1310 C ASP A 84 9.974 6.002 -4.767 1.00 0.00 C ATOM 1311 O ASP A 84 10.903 5.391 -5.311 1.00 0.00 O ATOM 1312 CB ASP A 84 10.308 7.976 -3.213 1.00 0.00 C ATOM 1313 CG ASP A 84 11.627 7.432 -2.649 1.00 0.00 C ATOM 1314 OD1 ASP A 84 11.629 6.338 -2.049 1.00 0.00 O ATOM 1315 OD2 ASP A 84 12.670 8.098 -2.790 1.00 0.00 O ATOM 0 H ASP A 84 8.207 8.570 -4.261 1.00 0.00 H new ATOM 0 HA ASP A 84 10.736 7.911 -5.351 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.339 9.065 -3.180 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.494 7.661 -2.560 1.00 0.00 H new ATOM 1320 N ALA A 85 8.900 5.405 -4.243 1.00 0.00 N ATOM 1321 CA ALA A 85 8.753 3.958 -4.140 1.00 0.00 C ATOM 1322 C ALA A 85 8.569 3.298 -5.506 1.00 0.00 C ATOM 1323 O ALA A 85 9.164 2.259 -5.763 1.00 0.00 O ATOM 1324 CB ALA A 85 7.583 3.628 -3.217 1.00 0.00 C ATOM 0 H ALA A 85 8.101 5.922 -3.875 1.00 0.00 H new ATOM 0 HA ALA A 85 9.674 3.555 -3.719 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.474 2.546 -3.141 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.771 4.045 -2.228 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.667 4.057 -3.623 1.00 0.00 H new ATOM 1330 N LYS A 86 7.724 3.893 -6.366 1.00 0.00 N ATOM 1331 CA LYS A 86 7.474 3.342 -7.707 1.00 0.00 C ATOM 1332 C LYS A 86 8.710 3.458 -8.605 1.00 0.00 C ATOM 1333 O LYS A 86 8.939 2.567 -9.399 1.00 0.00 O ATOM 1334 CB LYS A 86 6.255 3.991 -8.394 1.00 0.00 C ATOM 1335 CG LYS A 86 6.414 5.484 -8.736 1.00 0.00 C ATOM 1336 CD LYS A 86 5.205 6.055 -9.503 1.00 0.00 C ATOM 1337 CE LYS A 86 4.965 5.379 -10.866 1.00 0.00 C ATOM 1338 NZ LYS A 86 3.865 6.032 -11.621 1.00 0.00 N ATOM 0 H LYS A 86 7.207 4.748 -6.158 1.00 0.00 H new ATOM 0 HA LYS A 86 7.248 2.286 -7.561 1.00 0.00 H new ATOM 0 HB2 LYS A 86 6.042 3.445 -9.313 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.387 3.874 -7.745 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.554 6.050 -7.815 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.315 5.621 -9.334 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.311 5.945 -8.889 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.355 7.123 -9.658 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.881 5.415 -11.455 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.725 4.327 -10.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.734 5.548 -12.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.985 5.976 -11.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.105 7.030 -11.790 1.00 0.00 H new ATOM 1352 N LEU A 87 9.514 4.552 -8.478 1.00 0.00 N ATOM 1353 CA LEU A 87 10.702 4.740 -9.341 1.00 0.00 C ATOM 1354 C LEU A 87 11.781 3.689 -9.012 1.00 0.00 C ATOM 1355 O LEU A 87 12.446 3.181 -9.922 1.00 0.00 O ATOM 1356 CB LEU A 87 11.252 6.214 -9.308 1.00 0.00 C ATOM 1357 CG LEU A 87 12.010 6.736 -8.030 1.00 0.00 C ATOM 1358 CD1 LEU A 87 13.509 6.348 -8.014 1.00 0.00 C ATOM 1359 CD2 LEU A 87 11.863 8.263 -7.877 1.00 0.00 C ATOM 0 H LEU A 87 9.361 5.298 -7.800 1.00 0.00 H new ATOM 0 HA LEU A 87 10.390 4.578 -10.373 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.927 6.329 -10.156 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.407 6.881 -9.480 1.00 0.00 H new ATOM 0 HG LEU A 87 11.537 6.242 -7.181 1.00 0.00 H new ATOM 0 HD11 LEU A 87 13.976 6.736 -7.109 1.00 0.00 H new ATOM 0 HD12 LEU A 87 13.604 5.262 -8.034 1.00 0.00 H new ATOM 0 HD13 LEU A 87 14.004 6.772 -8.888 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.397 8.592 -6.986 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.280 8.758 -8.754 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.808 8.519 -7.783 1.00 0.00 H new ATOM 1371 N LYS A 88 11.952 3.364 -7.707 1.00 0.00 N ATOM 1372 CA LYS A 88 12.921 2.332 -7.282 1.00 0.00 C ATOM 1373 C LYS A 88 12.396 0.909 -7.563 1.00 0.00 C ATOM 1374 O LYS A 88 13.190 -0.010 -7.811 1.00 0.00 O ATOM 1375 CB LYS A 88 13.384 2.534 -5.805 1.00 0.00 C ATOM 1376 CG LYS A 88 12.325 2.485 -4.670 1.00 0.00 C ATOM 1377 CD LYS A 88 11.804 1.064 -4.342 1.00 0.00 C ATOM 1378 CE LYS A 88 11.054 0.996 -3.010 1.00 0.00 C ATOM 1379 NZ LYS A 88 11.968 1.136 -1.859 1.00 0.00 N ATOM 0 H LYS A 88 11.437 3.798 -6.941 1.00 0.00 H new ATOM 0 HA LYS A 88 13.816 2.453 -7.892 1.00 0.00 H new ATOM 0 HB2 LYS A 88 14.134 1.773 -5.588 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.884 3.501 -5.746 1.00 0.00 H new ATOM 0 HG2 LYS A 88 12.757 2.918 -3.768 1.00 0.00 H new ATOM 0 HG3 LYS A 88 11.480 3.113 -4.951 1.00 0.00 H new ATOM 0 HD2 LYS A 88 11.143 0.731 -5.142 1.00 0.00 H new ATOM 0 HD3 LYS A 88 12.645 0.372 -4.315 1.00 0.00 H new ATOM 0 HE2 LYS A 88 10.302 1.785 -2.975 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.523 0.046 -2.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.701 0.456 -1.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 12.944 0.949 -2.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.904 2.102 -1.480 1.00 0.00 H new ATOM 1393 N ALA A 89 11.058 0.723 -7.474 1.00 0.00 N ATOM 1394 CA ALA A 89 10.398 -0.545 -7.819 1.00 0.00 C ATOM 1395 C ALA A 89 10.434 -0.819 -9.330 1.00 0.00 C ATOM 1396 O ALA A 89 10.481 -1.968 -9.751 1.00 0.00 O ATOM 1397 CB ALA A 89 8.963 -0.564 -7.268 1.00 0.00 C ATOM 0 H ALA A 89 10.413 1.449 -7.161 1.00 0.00 H new ATOM 0 HA ALA A 89 10.954 -1.355 -7.348 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.485 -1.508 -7.530 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.988 -0.459 -6.183 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.397 0.261 -7.699 1.00 0.00 H new