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 76 GLN : amide:sc= -1.1 K(o=-0.18,f=-2.9!) USER MOD Set 1.2: A 80 SER OG : rot 75:sc= 0.924 USER MOD Set 2.1: A 43 TYR OH : rot -161:sc= 0.56 USER MOD Set 2.2: A 65 GLN : amide:sc= -0.521 K(o=0.039,f=0.56) USER MOD Set 3.1: A 16 HIS : no HD1:sc= -0.251 K(o=-0.69,f=-0.06) USER MOD Set 3.2: A 21 ASN : amide:sc= -0.437 K(o=-0.69,f=-0.06) USER MOD Set 4.1: A 10 TYR OH : rot -64:sc= 0.642 USER MOD Set 4.2: A 14 GLN : amide:sc= -0.111 K(o=0.95,f=-0.95!) USER MOD Set 4.3: A 45 HIS : no HD1:sc= 0.419 K(o=0.95,f=-1.4) 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= -0.0186 X(o=-0.019,f=0.00063) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -73:sc= 1.21 USER MOD Single : A 39 TYR OH : rot -24:sc= 0.663 USER MOD Single : A 42 THR OG1 : rot 0:sc= -0.915 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 161:sc= 0.27 (180deg=-0.287) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 74:sc= 0.508 USER MOD Single : A 63 TYR OH : rot -164:sc= -0.95 USER MOD Single : A 75 THR OG1 : rot -170:sc= -0.211 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -1.61 K(o=-1.6,f=-0.18) USER MOD Single : A 86 LYS NZ :NH3+ -162:sc= -0.031 (180deg=-0.615) USER MOD Single : A 88 LYS NZ :NH3+ -119:sc= 0.0831! (180deg=-0.307) USER MOD ----------------------------------------------------------------- ATOM 71 N PRO A 6 -10.471 1.965 9.754 1.00 0.00 N ATOM 72 CA PRO A 6 -9.466 1.966 8.659 1.00 0.00 C ATOM 73 C PRO A 6 -8.020 1.711 9.143 1.00 0.00 C ATOM 74 O PRO A 6 -7.329 0.843 8.601 1.00 0.00 O ATOM 75 CB PRO A 6 -9.617 3.378 8.024 1.00 0.00 C ATOM 76 CG PRO A 6 -11.020 3.787 8.340 1.00 0.00 C ATOM 77 CD PRO A 6 -11.317 3.194 9.701 1.00 0.00 C ATOM 0 HA PRO A 6 -9.644 1.152 7.956 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.896 4.080 8.443 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.446 3.349 6.948 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.119 4.872 8.355 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.716 3.414 7.589 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -11.063 3.888 10.502 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.375 2.955 9.810 1.00 0.00 H new ATOM 85 N PHE A 7 -7.588 2.456 10.184 1.00 0.00 N ATOM 86 CA PHE A 7 -6.229 2.324 10.751 1.00 0.00 C ATOM 87 C PHE A 7 -6.028 0.969 11.448 1.00 0.00 C ATOM 88 O PHE A 7 -4.917 0.447 11.447 1.00 0.00 O ATOM 89 CB PHE A 7 -5.920 3.485 11.734 1.00 0.00 C ATOM 90 CG PHE A 7 -4.528 3.407 12.390 1.00 0.00 C ATOM 91 CD1 PHE A 7 -3.376 3.671 11.647 1.00 0.00 C ATOM 92 CD2 PHE A 7 -4.376 3.041 13.732 1.00 0.00 C ATOM 93 CE1 PHE A 7 -2.122 3.586 12.224 1.00 0.00 C ATOM 94 CE2 PHE A 7 -3.119 2.959 14.308 1.00 0.00 C ATOM 95 CZ PHE A 7 -1.992 3.227 13.553 1.00 0.00 C ATOM 0 H PHE A 7 -8.164 3.157 10.650 1.00 0.00 H new ATOM 0 HA PHE A 7 -5.530 2.377 9.917 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -6.004 4.431 11.199 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -6.678 3.494 12.517 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.465 3.946 10.606 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -5.250 2.820 14.326 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.242 3.800 11.635 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.019 2.685 15.348 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.012 3.156 14.001 1.00 0.00 H new ATOM 105 N THR A 8 -7.096 0.410 12.038 1.00 0.00 N ATOM 106 CA THR A 8 -6.983 -0.823 12.840 1.00 0.00 C ATOM 107 C THR A 8 -6.858 -2.078 11.944 1.00 0.00 C ATOM 108 O THR A 8 -6.107 -2.990 12.276 1.00 0.00 O ATOM 109 CB THR A 8 -8.168 -0.972 13.842 1.00 0.00 C ATOM 110 OG1 THR A 8 -8.230 0.199 14.673 1.00 0.00 O ATOM 111 CG2 THR A 8 -8.033 -2.224 14.739 1.00 0.00 C ATOM 0 H THR A 8 -8.042 0.787 11.977 1.00 0.00 H new ATOM 0 HA THR A 8 -6.066 -0.737 13.423 1.00 0.00 H new ATOM 0 HB THR A 8 -9.081 -1.086 13.257 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.974 0.113 15.305 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.884 -2.279 15.417 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.008 -3.118 14.115 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.112 -2.159 15.318 1.00 0.00 H new ATOM 119 N ARG A 9 -7.593 -2.118 10.811 1.00 0.00 N ATOM 120 CA ARG A 9 -7.497 -3.228 9.823 1.00 0.00 C ATOM 121 C ARG A 9 -6.180 -3.113 9.014 1.00 0.00 C ATOM 122 O ARG A 9 -5.633 -4.114 8.538 1.00 0.00 O ATOM 123 CB ARG A 9 -8.763 -3.262 8.913 1.00 0.00 C ATOM 124 CG ARG A 9 -8.950 -2.034 7.992 1.00 0.00 C ATOM 125 CD ARG A 9 -10.425 -1.726 7.658 1.00 0.00 C ATOM 126 NE ARG A 9 -11.140 -2.845 7.016 1.00 0.00 N ATOM 127 CZ ARG A 9 -12.479 -2.932 6.905 1.00 0.00 C ATOM 128 NH1 ARG A 9 -13.265 -1.942 7.293 1.00 0.00 N ATOM 129 NH2 ARG A 9 -13.025 -4.009 6.395 1.00 0.00 N ATOM 0 H ARG A 9 -8.263 -1.394 10.553 1.00 0.00 H new ATOM 0 HA ARG A 9 -7.465 -4.181 10.351 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.720 -4.157 8.293 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.644 -3.356 9.548 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -8.506 -1.161 8.471 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.404 -2.201 7.064 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.946 -1.454 8.576 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.464 -0.858 7.000 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.581 -3.606 6.629 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.859 -1.092 7.685 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.277 -2.028 7.200 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.436 -4.781 6.083 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -14.039 -4.076 6.311 1.00 0.00 H new ATOM 143 N TYR A 10 -5.692 -1.864 8.891 1.00 0.00 N ATOM 144 CA TYR A 10 -4.362 -1.530 8.329 1.00 0.00 C ATOM 145 C TYR A 10 -3.237 -2.066 9.230 1.00 0.00 C ATOM 146 O TYR A 10 -2.325 -2.752 8.763 1.00 0.00 O ATOM 147 CB TYR A 10 -4.285 0.014 8.161 1.00 0.00 C ATOM 148 CG TYR A 10 -2.898 0.630 7.893 1.00 0.00 C ATOM 149 CD1 TYR A 10 -2.230 0.445 6.680 1.00 0.00 C ATOM 150 CD2 TYR A 10 -2.280 1.437 8.853 1.00 0.00 C ATOM 151 CE1 TYR A 10 -0.999 1.031 6.449 1.00 0.00 C ATOM 152 CE2 TYR A 10 -1.063 2.029 8.618 1.00 0.00 C ATOM 153 CZ TYR A 10 -0.425 1.826 7.419 1.00 0.00 C ATOM 154 OH TYR A 10 0.790 2.425 7.192 1.00 0.00 O ATOM 0 H TYR A 10 -6.218 -1.041 9.184 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.230 -2.005 7.357 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.943 0.297 7.340 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.688 0.472 9.065 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.682 -0.165 5.911 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.771 1.599 9.801 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.488 0.867 5.512 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.609 2.652 9.374 1.00 0.00 H new ATOM 0 HH TYR A 10 1.479 1.736 7.081 1.00 0.00 H new ATOM 164 N ALA A 11 -3.346 -1.760 10.534 1.00 0.00 N ATOM 165 CA ALA A 11 -2.384 -2.185 11.562 1.00 0.00 C ATOM 166 C ALA A 11 -2.437 -3.710 11.750 1.00 0.00 C ATOM 167 O ALA A 11 -1.418 -4.340 12.023 1.00 0.00 O ATOM 168 CB ALA A 11 -2.669 -1.444 12.884 1.00 0.00 C ATOM 0 H ALA A 11 -4.115 -1.203 10.907 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.375 -1.928 11.238 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.953 -1.763 13.642 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.576 -0.370 12.726 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.680 -1.675 13.220 1.00 0.00 H new ATOM 174 N LEU A 12 -3.648 -4.274 11.580 1.00 0.00 N ATOM 175 CA LEU A 12 -3.901 -5.723 11.645 1.00 0.00 C ATOM 176 C LEU A 12 -3.169 -6.439 10.506 1.00 0.00 C ATOM 177 O LEU A 12 -2.560 -7.487 10.711 1.00 0.00 O ATOM 178 CB LEU A 12 -5.428 -5.993 11.590 1.00 0.00 C ATOM 179 CG LEU A 12 -5.902 -7.481 11.659 1.00 0.00 C ATOM 180 CD1 LEU A 12 -5.459 -8.165 12.973 1.00 0.00 C ATOM 181 CD2 LEU A 12 -7.435 -7.573 11.469 1.00 0.00 C ATOM 0 H LEU A 12 -4.488 -3.727 11.391 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.518 -6.115 12.587 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.895 -5.453 12.414 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.813 -5.560 10.667 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.422 -8.020 10.842 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.808 -9.197 12.981 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.371 -8.149 13.043 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.885 -7.631 13.823 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.746 -8.616 11.520 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.934 -7.007 12.256 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.707 -7.161 10.497 1.00 0.00 H new ATOM 193 N ALA A 13 -3.217 -5.829 9.311 1.00 0.00 N ATOM 194 CA ALA A 13 -2.487 -6.312 8.131 1.00 0.00 C ATOM 195 C ALA A 13 -0.970 -6.304 8.384 1.00 0.00 C ATOM 196 O ALA A 13 -0.273 -7.259 8.050 1.00 0.00 O ATOM 197 CB ALA A 13 -2.853 -5.473 6.903 1.00 0.00 C ATOM 0 H ALA A 13 -3.764 -4.986 9.137 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.780 -7.344 7.937 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.306 -5.841 6.035 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.924 -5.550 6.716 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.590 -4.431 7.083 1.00 0.00 H new ATOM 203 N GLN A 14 -0.484 -5.226 9.021 1.00 0.00 N ATOM 204 CA GLN A 14 0.934 -5.085 9.404 1.00 0.00 C ATOM 205 C GLN A 14 1.341 -6.135 10.463 1.00 0.00 C ATOM 206 O GLN A 14 2.490 -6.578 10.477 1.00 0.00 O ATOM 207 CB GLN A 14 1.200 -3.646 9.898 1.00 0.00 C ATOM 208 CG GLN A 14 0.922 -2.557 8.836 1.00 0.00 C ATOM 209 CD GLN A 14 1.105 -1.143 9.374 1.00 0.00 C ATOM 210 OE1 GLN A 14 0.169 -0.540 9.890 1.00 0.00 O ATOM 211 NE2 GLN A 14 2.316 -0.623 9.299 1.00 0.00 N ATOM 0 H GLN A 14 -1.061 -4.427 9.286 1.00 0.00 H new ATOM 0 HA GLN A 14 1.553 -5.270 8.526 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.580 -3.453 10.773 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.239 -3.569 10.220 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.589 -2.706 7.987 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.097 -2.670 8.465 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.072 -1.151 8.863 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.496 0.307 9.677 1.00 0.00 H new ATOM 220 N GLU A 15 0.381 -6.542 11.330 1.00 0.00 N ATOM 221 CA GLU A 15 0.589 -7.650 12.290 1.00 0.00 C ATOM 222 C GLU A 15 0.804 -8.971 11.526 1.00 0.00 C ATOM 223 O GLU A 15 1.692 -9.742 11.865 1.00 0.00 O ATOM 224 CB GLU A 15 -0.615 -7.820 13.252 1.00 0.00 C ATOM 225 CG GLU A 15 -0.826 -6.673 14.250 1.00 0.00 C ATOM 226 CD GLU A 15 -2.038 -6.897 15.172 1.00 0.00 C ATOM 227 OE1 GLU A 15 -1.916 -7.626 16.183 1.00 0.00 O ATOM 228 OE2 GLU A 15 -3.128 -6.355 14.895 1.00 0.00 O ATOM 0 H GLU A 15 -0.545 -6.118 11.382 1.00 0.00 H new ATOM 0 HA GLU A 15 1.469 -7.403 12.883 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.521 -7.933 12.657 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.484 -8.746 13.811 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.071 -6.558 14.859 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.961 -5.741 13.701 1.00 0.00 H new ATOM 235 N HIS A 16 -0.050 -9.215 10.506 1.00 0.00 N ATOM 236 CA HIS A 16 0.016 -10.429 9.667 1.00 0.00 C ATOM 237 C HIS A 16 1.351 -10.518 8.899 1.00 0.00 C ATOM 238 O HIS A 16 1.901 -11.611 8.752 1.00 0.00 O ATOM 239 CB HIS A 16 -1.187 -10.508 8.693 1.00 0.00 C ATOM 240 CG HIS A 16 -2.516 -10.750 9.359 1.00 0.00 C ATOM 241 ND1 HIS A 16 -2.817 -11.913 10.032 1.00 0.00 N ATOM 242 CD2 HIS A 16 -3.611 -9.973 9.463 1.00 0.00 C ATOM 243 CE1 HIS A 16 -4.036 -11.829 10.522 1.00 0.00 C ATOM 244 NE2 HIS A 16 -4.541 -10.662 10.189 1.00 0.00 N ATOM 0 H HIS A 16 -0.801 -8.577 10.244 1.00 0.00 H new ATOM 0 HA HIS A 16 -0.037 -11.286 10.338 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -1.242 -9.578 8.128 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -1.004 -11.307 7.974 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -3.732 -8.984 9.047 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.537 -12.591 11.100 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -5.473 -10.326 10.432 1.00 0.00 H new ATOM 253 N LEU A 17 1.871 -9.361 8.431 1.00 0.00 N ATOM 254 CA LEU A 17 3.213 -9.267 7.807 1.00 0.00 C ATOM 255 C LEU A 17 4.300 -9.808 8.761 1.00 0.00 C ATOM 256 O LEU A 17 5.124 -10.650 8.382 1.00 0.00 O ATOM 257 CB LEU A 17 3.528 -7.786 7.428 1.00 0.00 C ATOM 258 CG LEU A 17 2.705 -7.188 6.243 1.00 0.00 C ATOM 259 CD1 LEU A 17 2.968 -5.670 6.060 1.00 0.00 C ATOM 260 CD2 LEU A 17 3.003 -7.956 4.936 1.00 0.00 C ATOM 0 H LEU A 17 1.376 -8.470 8.474 1.00 0.00 H new ATOM 0 HA LEU A 17 3.212 -9.875 6.902 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.363 -7.164 8.308 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.587 -7.713 7.181 1.00 0.00 H new ATOM 0 HG LEU A 17 1.649 -7.305 6.487 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.375 -5.296 5.225 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.688 -5.140 6.970 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.026 -5.506 5.856 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.421 -7.526 4.121 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.065 -7.880 4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.733 -9.005 5.061 1.00 0.00 H new ATOM 272 N LYS A 18 4.256 -9.318 10.008 1.00 0.00 N ATOM 273 CA LYS A 18 5.222 -9.671 11.063 1.00 0.00 C ATOM 274 C LYS A 18 5.053 -11.135 11.521 1.00 0.00 C ATOM 275 O LYS A 18 6.025 -11.783 11.909 1.00 0.00 O ATOM 276 CB LYS A 18 5.038 -8.703 12.262 1.00 0.00 C ATOM 277 CG LYS A 18 5.283 -7.212 11.909 1.00 0.00 C ATOM 278 CD LYS A 18 4.857 -6.240 13.038 1.00 0.00 C ATOM 279 CE LYS A 18 5.681 -6.404 14.326 1.00 0.00 C ATOM 280 NZ LYS A 18 5.220 -5.492 15.407 1.00 0.00 N ATOM 0 H LYS A 18 3.542 -8.659 10.318 1.00 0.00 H new ATOM 0 HA LYS A 18 6.230 -9.574 10.660 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.026 -8.812 12.653 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.721 -8.994 13.060 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.341 -7.066 11.692 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.734 -6.966 11.000 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.954 -5.215 12.681 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.803 -6.399 13.267 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.613 -7.436 14.670 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.731 -6.208 14.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.803 -5.637 16.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.309 -4.505 15.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.225 -5.695 15.632 1.00 0.00 H new ATOM 294 N HIS A 19 3.804 -11.629 11.483 1.00 0.00 N ATOM 295 CA HIS A 19 3.439 -13.007 11.907 1.00 0.00 C ATOM 296 C HIS A 19 3.228 -13.950 10.699 1.00 0.00 C ATOM 297 O HIS A 19 2.357 -14.836 10.732 1.00 0.00 O ATOM 298 CB HIS A 19 2.171 -12.950 12.798 1.00 0.00 C ATOM 299 CG HIS A 19 2.397 -12.352 14.156 1.00 0.00 C ATOM 300 ND1 HIS A 19 2.361 -13.091 15.317 1.00 0.00 N ATOM 301 CD2 HIS A 19 2.697 -11.090 14.533 1.00 0.00 C ATOM 302 CE1 HIS A 19 2.640 -12.317 16.340 1.00 0.00 C ATOM 303 NE2 HIS A 19 2.847 -11.098 15.893 1.00 0.00 N ATOM 0 H HIS A 19 3.006 -11.084 11.155 1.00 0.00 H new ATOM 0 HA HIS A 19 4.268 -13.421 12.482 1.00 0.00 H new ATOM 0 HB2 HIS A 19 1.404 -12.372 12.282 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.781 -13.960 12.919 1.00 0.00 H new ATOM 0 HD2 HIS A 19 2.799 -10.234 13.882 1.00 0.00 H new ATOM 0 HE1 HIS A 19 2.691 -12.629 17.373 1.00 0.00 H new ATOM 0 HE2 HIS A 19 3.082 -10.289 16.468 1.00 0.00 H new ATOM 312 N ASP A 20 4.023 -13.722 9.631 1.00 0.00 N ATOM 313 CA ASP A 20 4.228 -14.677 8.497 1.00 0.00 C ATOM 314 C ASP A 20 3.052 -14.718 7.485 1.00 0.00 C ATOM 315 O ASP A 20 3.241 -15.125 6.331 1.00 0.00 O ATOM 316 CB ASP A 20 4.572 -16.112 9.030 1.00 0.00 C ATOM 317 CG ASP A 20 4.945 -17.137 7.934 1.00 0.00 C ATOM 318 OD1 ASP A 20 5.978 -16.938 7.253 1.00 0.00 O ATOM 319 OD2 ASP A 20 4.194 -18.125 7.730 1.00 0.00 O ATOM 0 H ASP A 20 4.553 -12.858 9.522 1.00 0.00 H new ATOM 0 HA ASP A 20 5.080 -14.295 7.935 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.401 -16.034 9.733 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.716 -16.492 9.588 1.00 0.00 H new ATOM 324 N ASN A 21 1.864 -14.262 7.901 1.00 0.00 N ATOM 325 CA ASN A 21 0.635 -14.293 7.076 1.00 0.00 C ATOM 326 C ASN A 21 0.586 -13.087 6.123 1.00 0.00 C ATOM 327 O ASN A 21 -0.329 -12.257 6.188 1.00 0.00 O ATOM 328 CB ASN A 21 -0.626 -14.331 7.993 1.00 0.00 C ATOM 329 CG ASN A 21 -0.737 -15.572 8.886 1.00 0.00 C ATOM 330 OD1 ASN A 21 -1.273 -15.506 9.987 1.00 0.00 O ATOM 331 ND2 ASN A 21 -0.288 -16.721 8.410 1.00 0.00 N ATOM 0 H ASN A 21 1.720 -13.857 8.826 1.00 0.00 H new ATOM 0 HA ASN A 21 0.647 -15.197 6.467 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.623 -13.444 8.627 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.515 -14.272 7.366 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.385 -17.574 8.961 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.155 -16.754 7.492 1.00 0.00 H new ATOM 338 N ALA A 22 1.571 -13.014 5.213 1.00 0.00 N ATOM 339 CA ALA A 22 1.668 -11.947 4.204 1.00 0.00 C ATOM 340 C ALA A 22 0.477 -12.014 3.222 1.00 0.00 C ATOM 341 O ALA A 22 0.046 -10.995 2.703 1.00 0.00 O ATOM 342 CB ALA A 22 3.009 -12.044 3.463 1.00 0.00 C ATOM 0 H ALA A 22 2.326 -13.697 5.157 1.00 0.00 H new ATOM 0 HA ALA A 22 1.625 -10.981 4.707 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.072 -11.250 2.718 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.827 -11.938 4.176 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.082 -13.012 2.968 1.00 0.00 H new ATOM 348 N SER A 23 -0.029 -13.242 2.996 1.00 0.00 N ATOM 349 CA SER A 23 -1.269 -13.517 2.236 1.00 0.00 C ATOM 350 C SER A 23 -2.510 -12.811 2.844 1.00 0.00 C ATOM 351 O SER A 23 -3.316 -12.218 2.120 1.00 0.00 O ATOM 352 CB SER A 23 -1.490 -15.049 2.198 1.00 0.00 C ATOM 353 OG SER A 23 -1.542 -15.592 3.514 1.00 0.00 O ATOM 0 H SER A 23 0.420 -14.089 3.343 1.00 0.00 H new ATOM 0 HA SER A 23 -1.149 -13.118 1.229 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.418 -15.273 1.672 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.684 -15.522 1.638 1.00 0.00 H new ATOM 0 HG SER A 23 -1.684 -16.560 3.463 1.00 0.00 H new ATOM 359 N ARG A 24 -2.642 -12.888 4.182 1.00 0.00 N ATOM 360 CA ARG A 24 -3.776 -12.294 4.928 1.00 0.00 C ATOM 361 C ARG A 24 -3.622 -10.768 5.033 1.00 0.00 C ATOM 362 O ARG A 24 -4.612 -10.032 5.048 1.00 0.00 O ATOM 363 CB ARG A 24 -3.854 -12.921 6.342 1.00 0.00 C ATOM 364 CG ARG A 24 -4.046 -14.453 6.358 1.00 0.00 C ATOM 365 CD ARG A 24 -5.391 -14.903 5.766 1.00 0.00 C ATOM 366 NE ARG A 24 -5.586 -16.358 5.923 1.00 0.00 N ATOM 367 CZ ARG A 24 -6.739 -17.022 5.730 1.00 0.00 C ATOM 368 NH1 ARG A 24 -7.834 -16.390 5.340 1.00 0.00 N ATOM 369 NH2 ARG A 24 -6.784 -18.330 5.930 1.00 0.00 N ATOM 0 H ARG A 24 -1.966 -13.364 4.780 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.698 -12.505 4.387 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.940 -12.677 6.884 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.679 -12.459 6.885 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.236 -14.920 5.798 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.971 -14.811 7.385 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.204 -14.370 6.258 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.432 -14.640 4.709 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.774 -16.908 6.203 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.812 -15.383 5.181 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.700 -16.910 5.199 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.946 -18.829 6.229 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.656 -18.838 5.785 1.00 0.00 H new ATOM 383 N ALA A 25 -2.358 -10.328 5.114 1.00 0.00 N ATOM 384 CA ALA A 25 -1.986 -8.909 5.095 1.00 0.00 C ATOM 385 C ALA A 25 -2.339 -8.287 3.743 1.00 0.00 C ATOM 386 O ALA A 25 -2.872 -7.179 3.676 1.00 0.00 O ATOM 387 CB ALA A 25 -0.484 -8.773 5.367 1.00 0.00 C ATOM 0 H ALA A 25 -1.558 -10.955 5.195 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.541 -8.381 5.871 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.206 -7.719 5.353 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.251 -9.197 6.344 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.075 -9.306 4.598 1.00 0.00 H new ATOM 393 N LEU A 26 -2.075 -9.076 2.682 1.00 0.00 N ATOM 394 CA LEU A 26 -2.338 -8.701 1.286 1.00 0.00 C ATOM 395 C LEU A 26 -3.836 -8.448 1.125 1.00 0.00 C ATOM 396 O LEU A 26 -4.239 -7.400 0.640 1.00 0.00 O ATOM 397 CB LEU A 26 -1.846 -9.820 0.320 1.00 0.00 C ATOM 398 CG LEU A 26 -1.841 -9.482 -1.202 1.00 0.00 C ATOM 399 CD1 LEU A 26 -0.843 -8.351 -1.525 1.00 0.00 C ATOM 400 CD2 LEU A 26 -1.536 -10.737 -2.049 1.00 0.00 C ATOM 0 H LEU A 26 -1.667 -10.006 2.777 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.792 -7.792 1.033 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.833 -10.098 0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.473 -10.699 0.471 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.840 -9.130 -1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.865 -8.141 -2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.120 -7.453 -0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.162 -8.659 -1.236 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.539 -10.472 -3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.557 -11.131 -1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.297 -11.495 -1.863 1.00 0.00 H new ATOM 412 N ALA A 27 -4.627 -9.411 1.630 1.00 0.00 N ATOM 413 CA ALA A 27 -6.097 -9.380 1.623 1.00 0.00 C ATOM 414 C ALA A 27 -6.666 -8.087 2.233 1.00 0.00 C ATOM 415 O ALA A 27 -7.540 -7.459 1.638 1.00 0.00 O ATOM 416 CB ALA A 27 -6.629 -10.608 2.376 1.00 0.00 C ATOM 0 H ALA A 27 -4.250 -10.253 2.065 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.427 -9.403 0.584 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.719 -10.592 2.375 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.279 -11.516 1.885 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.267 -10.589 3.404 1.00 0.00 H new ATOM 422 N LEU A 28 -6.157 -7.707 3.422 1.00 0.00 N ATOM 423 CA LEU A 28 -6.647 -6.530 4.174 1.00 0.00 C ATOM 424 C LEU A 28 -6.285 -5.201 3.490 1.00 0.00 C ATOM 425 O LEU A 28 -7.063 -4.244 3.563 1.00 0.00 O ATOM 426 CB LEU A 28 -6.118 -6.551 5.628 1.00 0.00 C ATOM 427 CG LEU A 28 -6.673 -7.688 6.540 1.00 0.00 C ATOM 428 CD1 LEU A 28 -5.978 -7.681 7.912 1.00 0.00 C ATOM 429 CD2 LEU A 28 -8.208 -7.575 6.702 1.00 0.00 C ATOM 0 H LEU A 28 -5.398 -8.204 3.888 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.735 -6.596 4.190 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.032 -6.634 5.597 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.351 -5.593 6.093 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.456 -8.639 6.054 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.383 -8.483 8.529 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.907 -7.832 7.778 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.151 -6.723 8.403 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.567 -8.381 7.343 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.456 -6.614 7.153 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.684 -7.650 5.724 1.00 0.00 H new ATOM 441 N PHE A 29 -5.108 -5.137 2.846 1.00 0.00 N ATOM 442 CA PHE A 29 -4.693 -3.944 2.088 1.00 0.00 C ATOM 443 C PHE A 29 -5.518 -3.818 0.777 1.00 0.00 C ATOM 444 O PHE A 29 -5.972 -2.731 0.425 1.00 0.00 O ATOM 445 CB PHE A 29 -3.179 -3.971 1.765 1.00 0.00 C ATOM 446 CG PHE A 29 -2.225 -3.834 2.958 1.00 0.00 C ATOM 447 CD1 PHE A 29 -2.408 -2.837 3.921 1.00 0.00 C ATOM 448 CD2 PHE A 29 -1.127 -4.690 3.102 1.00 0.00 C ATOM 449 CE1 PHE A 29 -1.522 -2.700 4.979 1.00 0.00 C ATOM 450 CE2 PHE A 29 -0.250 -4.552 4.162 1.00 0.00 C ATOM 451 CZ PHE A 29 -0.449 -3.563 5.103 1.00 0.00 C ATOM 0 H PHE A 29 -4.427 -5.897 2.835 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.886 -3.074 2.715 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.955 -4.908 1.254 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.965 -3.166 1.062 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.250 -2.165 3.840 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.962 -5.470 2.374 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.671 -1.917 5.708 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.593 -5.220 4.254 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.232 -3.463 5.935 1.00 0.00 H new ATOM 461 N GLU A 30 -5.710 -4.948 0.066 1.00 0.00 N ATOM 462 CA GLU A 30 -6.579 -5.032 -1.139 1.00 0.00 C ATOM 463 C GLU A 30 -8.017 -4.603 -0.794 1.00 0.00 C ATOM 464 O GLU A 30 -8.671 -3.897 -1.570 1.00 0.00 O ATOM 465 CB GLU A 30 -6.584 -6.482 -1.700 1.00 0.00 C ATOM 466 CG GLU A 30 -5.235 -6.959 -2.278 1.00 0.00 C ATOM 467 CD GLU A 30 -5.260 -8.435 -2.731 1.00 0.00 C ATOM 468 OE1 GLU A 30 -5.393 -9.334 -1.870 1.00 0.00 O ATOM 469 OE2 GLU A 30 -5.166 -8.704 -3.943 1.00 0.00 O ATOM 0 H GLU A 30 -5.267 -5.835 0.308 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.181 -4.358 -1.898 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.883 -7.163 -0.903 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.342 -6.552 -2.480 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.966 -6.329 -3.126 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.457 -6.829 -1.525 1.00 0.00 H new ATOM 476 N GLU A 31 -8.457 -5.015 0.406 1.00 0.00 N ATOM 477 CA GLU A 31 -9.776 -4.688 0.966 1.00 0.00 C ATOM 478 C GLU A 31 -9.877 -3.184 1.225 1.00 0.00 C ATOM 479 O GLU A 31 -10.873 -2.560 0.879 1.00 0.00 O ATOM 480 CB GLU A 31 -9.968 -5.487 2.275 1.00 0.00 C ATOM 481 CG GLU A 31 -11.279 -5.230 3.039 1.00 0.00 C ATOM 482 CD GLU A 31 -11.325 -5.980 4.376 1.00 0.00 C ATOM 483 OE1 GLU A 31 -10.709 -5.501 5.358 1.00 0.00 O ATOM 484 OE2 GLU A 31 -11.948 -7.061 4.458 1.00 0.00 O ATOM 0 H GLU A 31 -7.893 -5.597 1.026 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.561 -4.959 0.260 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.911 -6.550 2.040 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.134 -5.262 2.940 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.389 -4.161 3.220 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.124 -5.537 2.422 1.00 0.00 H new ATOM 491 N LEU A 32 -8.809 -2.622 1.806 1.00 0.00 N ATOM 492 CA LEU A 32 -8.721 -1.197 2.137 1.00 0.00 C ATOM 493 C LEU A 32 -8.776 -0.300 0.891 1.00 0.00 C ATOM 494 O LEU A 32 -9.311 0.781 0.969 1.00 0.00 O ATOM 495 CB LEU A 32 -7.443 -0.915 2.970 1.00 0.00 C ATOM 496 CG LEU A 32 -7.598 -1.021 4.518 1.00 0.00 C ATOM 497 CD1 LEU A 32 -6.225 -1.133 5.215 1.00 0.00 C ATOM 498 CD2 LEU A 32 -8.402 0.191 5.064 1.00 0.00 C ATOM 0 H LEU A 32 -7.975 -3.150 2.061 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.596 -0.949 2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.667 -1.612 2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.090 0.087 2.728 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.152 -1.933 4.741 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.369 -1.205 6.293 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.707 -2.023 4.858 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.628 -0.250 4.987 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.502 0.103 6.146 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.877 1.115 4.822 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.392 0.206 4.608 1.00 0.00 H new ATOM 510 N VAL A 33 -8.197 -0.741 -0.241 1.00 0.00 N ATOM 511 CA VAL A 33 -8.250 0.023 -1.513 1.00 0.00 C ATOM 512 C VAL A 33 -9.695 0.082 -2.054 1.00 0.00 C ATOM 513 O VAL A 33 -10.208 1.159 -2.376 1.00 0.00 O ATOM 514 CB VAL A 33 -7.277 -0.577 -2.605 1.00 0.00 C ATOM 515 CG1 VAL A 33 -7.455 0.102 -3.991 1.00 0.00 C ATOM 516 CG2 VAL A 33 -5.808 -0.465 -2.137 1.00 0.00 C ATOM 0 H VAL A 33 -7.686 -1.621 -0.306 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.913 1.036 -1.295 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.538 -1.629 -2.725 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.765 -0.345 -4.706 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.479 -0.040 -4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.247 1.168 -3.903 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.150 -0.882 -2.900 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.557 0.583 -1.975 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.680 -1.017 -1.206 1.00 0.00 H new ATOM 526 N GLU A 34 -10.342 -1.092 -2.151 1.00 0.00 N ATOM 527 CA GLU A 34 -11.688 -1.210 -2.747 1.00 0.00 C ATOM 528 C GLU A 34 -12.792 -0.568 -1.870 1.00 0.00 C ATOM 529 O GLU A 34 -13.783 -0.054 -2.410 1.00 0.00 O ATOM 530 CB GLU A 34 -12.009 -2.693 -3.072 1.00 0.00 C ATOM 531 CG GLU A 34 -11.969 -3.648 -1.864 1.00 0.00 C ATOM 532 CD GLU A 34 -12.115 -5.131 -2.238 1.00 0.00 C ATOM 533 OE1 GLU A 34 -11.088 -5.786 -2.533 1.00 0.00 O ATOM 534 OE2 GLU A 34 -13.258 -5.638 -2.259 1.00 0.00 O ATOM 0 H GLU A 34 -9.954 -1.977 -1.824 1.00 0.00 H new ATOM 0 HA GLU A 34 -11.678 -0.645 -3.679 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -13.000 -2.744 -3.524 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.299 -3.047 -3.820 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.027 -3.508 -1.334 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.767 -3.377 -1.173 1.00 0.00 H new ATOM 541 N THR A 35 -12.641 -0.595 -0.528 1.00 0.00 N ATOM 542 CA THR A 35 -13.623 0.015 0.395 1.00 0.00 C ATOM 543 C THR A 35 -13.282 1.491 0.684 1.00 0.00 C ATOM 544 O THR A 35 -14.176 2.347 0.730 1.00 0.00 O ATOM 545 CB THR A 35 -13.693 -0.781 1.748 1.00 0.00 C ATOM 546 OG1 THR A 35 -12.397 -0.829 2.366 1.00 0.00 O ATOM 547 CG2 THR A 35 -14.206 -2.218 1.538 1.00 0.00 C ATOM 0 H THR A 35 -11.848 -1.033 -0.059 1.00 0.00 H new ATOM 0 HA THR A 35 -14.595 -0.029 -0.096 1.00 0.00 H new ATOM 0 HB THR A 35 -14.394 -0.255 2.396 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.823 -1.453 1.874 1.00 0.00 H new ATOM 0 HG21 THR A 35 -14.240 -2.736 2.497 1.00 0.00 H new ATOM 0 HG22 THR A 35 -15.206 -2.188 1.106 1.00 0.00 H new ATOM 0 HG23 THR A 35 -13.535 -2.749 0.863 1.00 0.00 H new ATOM 555 N ASP A 36 -11.976 1.778 0.858 1.00 0.00 N ATOM 556 CA ASP A 36 -11.459 3.118 1.241 1.00 0.00 C ATOM 557 C ASP A 36 -10.355 3.547 0.243 1.00 0.00 C ATOM 558 O ASP A 36 -9.160 3.472 0.555 1.00 0.00 O ATOM 559 CB ASP A 36 -10.898 3.110 2.698 1.00 0.00 C ATOM 560 CG ASP A 36 -11.950 2.724 3.743 1.00 0.00 C ATOM 561 OD1 ASP A 36 -12.762 3.593 4.125 1.00 0.00 O ATOM 562 OD2 ASP A 36 -11.990 1.549 4.175 1.00 0.00 O ATOM 0 H ASP A 36 -11.239 1.083 0.737 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.281 3.833 1.206 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.063 2.412 2.756 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.504 4.098 2.935 1.00 0.00 H new ATOM 567 N PRO A 37 -10.735 4.018 -0.986 1.00 0.00 N ATOM 568 CA PRO A 37 -9.759 4.346 -2.063 1.00 0.00 C ATOM 569 C PRO A 37 -8.929 5.616 -1.763 1.00 0.00 C ATOM 570 O PRO A 37 -8.002 5.945 -2.501 1.00 0.00 O ATOM 571 CB PRO A 37 -10.672 4.533 -3.304 1.00 0.00 C ATOM 572 CG PRO A 37 -11.970 5.016 -2.741 1.00 0.00 C ATOM 573 CD PRO A 37 -12.135 4.302 -1.416 1.00 0.00 C ATOM 0 HA PRO A 37 -9.001 3.572 -2.189 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.249 5.254 -4.003 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.799 3.597 -3.849 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.959 6.097 -2.604 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.797 4.789 -3.414 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.658 4.924 -0.689 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.713 3.385 -1.526 1.00 0.00 H new ATOM 581 N ASP A 38 -9.270 6.287 -0.661 1.00 0.00 N ATOM 582 CA ASP A 38 -8.642 7.537 -0.213 1.00 0.00 C ATOM 583 C ASP A 38 -7.487 7.265 0.770 1.00 0.00 C ATOM 584 O ASP A 38 -6.585 8.105 0.907 1.00 0.00 O ATOM 585 CB ASP A 38 -9.723 8.453 0.440 1.00 0.00 C ATOM 586 CG ASP A 38 -10.384 7.856 1.705 1.00 0.00 C ATOM 587 OD1 ASP A 38 -10.898 6.717 1.650 1.00 0.00 O ATOM 588 OD2 ASP A 38 -10.410 8.532 2.754 1.00 0.00 O ATOM 0 H ASP A 38 -10.011 5.969 -0.036 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.215 8.044 -1.078 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -9.265 9.407 0.700 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -10.499 8.662 -0.297 1.00 0.00 H new ATOM 593 N TYR A 39 -7.542 6.101 1.472 1.00 0.00 N ATOM 594 CA TYR A 39 -6.534 5.715 2.484 1.00 0.00 C ATOM 595 C TYR A 39 -5.152 5.491 1.813 1.00 0.00 C ATOM 596 O TYR A 39 -4.914 4.449 1.191 1.00 0.00 O ATOM 597 CB TYR A 39 -7.001 4.443 3.268 1.00 0.00 C ATOM 598 CG TYR A 39 -6.304 4.250 4.635 1.00 0.00 C ATOM 599 CD1 TYR A 39 -5.092 3.578 4.744 1.00 0.00 C ATOM 600 CD2 TYR A 39 -6.862 4.761 5.811 1.00 0.00 C ATOM 601 CE1 TYR A 39 -4.463 3.411 5.958 1.00 0.00 C ATOM 602 CE2 TYR A 39 -6.233 4.599 7.030 1.00 0.00 C ATOM 603 CZ TYR A 39 -5.038 3.923 7.097 1.00 0.00 C ATOM 604 OH TYR A 39 -4.413 3.764 8.310 1.00 0.00 O ATOM 0 H TYR A 39 -8.283 5.411 1.350 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.430 6.528 3.203 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -8.078 4.503 3.427 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.818 3.563 2.652 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.631 3.176 3.853 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -7.801 5.292 5.765 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.524 2.881 6.015 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.679 5.002 7.927 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.827 2.979 8.276 1.00 0.00 H new ATOM 614 N VAL A 40 -4.251 6.482 1.967 1.00 0.00 N ATOM 615 CA VAL A 40 -2.948 6.534 1.270 1.00 0.00 C ATOM 616 C VAL A 40 -1.959 5.474 1.815 1.00 0.00 C ATOM 617 O VAL A 40 -1.209 4.853 1.045 1.00 0.00 O ATOM 618 CB VAL A 40 -2.311 7.974 1.400 1.00 0.00 C ATOM 619 CG1 VAL A 40 -0.968 8.080 0.647 1.00 0.00 C ATOM 620 CG2 VAL A 40 -3.296 9.065 0.910 1.00 0.00 C ATOM 0 H VAL A 40 -4.408 7.278 2.585 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.134 6.311 0.219 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.110 8.139 2.458 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.565 9.086 0.762 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.263 7.357 1.057 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.127 7.872 -0.411 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.832 10.046 1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.545 8.887 -0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.205 9.030 1.510 1.00 0.00 H new ATOM 630 N GLY A 41 -2.004 5.264 3.149 1.00 0.00 N ATOM 631 CA GLY A 41 -1.079 4.359 3.851 1.00 0.00 C ATOM 632 C GLY A 41 -1.159 2.917 3.362 1.00 0.00 C ATOM 633 O GLY A 41 -0.158 2.183 3.375 1.00 0.00 O ATOM 0 H GLY A 41 -2.681 5.717 3.763 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.059 4.723 3.724 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.296 4.386 4.919 1.00 0.00 H new ATOM 637 N THR A 42 -2.364 2.527 2.915 1.00 0.00 N ATOM 638 CA THR A 42 -2.622 1.224 2.314 1.00 0.00 C ATOM 639 C THR A 42 -1.755 1.013 1.067 1.00 0.00 C ATOM 640 O THR A 42 -1.019 0.039 1.004 1.00 0.00 O ATOM 641 CB THR A 42 -4.123 1.082 1.934 1.00 0.00 C ATOM 642 OG1 THR A 42 -4.917 1.108 3.122 1.00 0.00 O ATOM 643 CG2 THR A 42 -4.405 -0.211 1.167 1.00 0.00 C ATOM 0 H THR A 42 -3.192 3.121 2.965 1.00 0.00 H new ATOM 0 HA THR A 42 -2.367 0.464 3.052 1.00 0.00 H new ATOM 0 HB THR A 42 -4.379 1.917 1.282 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.334 1.207 3.903 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.466 -0.266 0.924 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.821 -0.223 0.247 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.130 -1.067 1.783 1.00 0.00 H new ATOM 651 N TYR A 43 -1.826 1.970 0.119 1.00 0.00 N ATOM 652 CA TYR A 43 -1.197 1.849 -1.212 1.00 0.00 C ATOM 653 C TYR A 43 0.319 1.596 -1.118 1.00 0.00 C ATOM 654 O TYR A 43 0.864 0.774 -1.864 1.00 0.00 O ATOM 655 CB TYR A 43 -1.483 3.108 -2.072 1.00 0.00 C ATOM 656 CG TYR A 43 -2.951 3.238 -2.527 1.00 0.00 C ATOM 657 CD1 TYR A 43 -3.405 2.596 -3.688 1.00 0.00 C ATOM 658 CD2 TYR A 43 -3.878 4.002 -1.810 1.00 0.00 C ATOM 659 CE1 TYR A 43 -4.707 2.715 -4.109 1.00 0.00 C ATOM 660 CE2 TYR A 43 -5.188 4.114 -2.237 1.00 0.00 C ATOM 661 CZ TYR A 43 -5.591 3.471 -3.385 1.00 0.00 C ATOM 662 OH TYR A 43 -6.888 3.587 -3.817 1.00 0.00 O ATOM 0 H TYR A 43 -2.322 2.851 0.256 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.643 0.981 -1.697 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.211 3.995 -1.500 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.841 3.087 -2.953 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.716 1.995 -4.263 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.566 4.511 -0.910 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -5.033 2.214 -5.008 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.893 4.705 -1.671 1.00 0.00 H new ATOM 0 HH TYR A 43 -7.304 4.369 -3.398 1.00 0.00 H new ATOM 672 N TYR A 44 0.985 2.332 -0.214 1.00 0.00 N ATOM 673 CA TYR A 44 2.410 2.133 0.086 1.00 0.00 C ATOM 674 C TYR A 44 2.700 0.688 0.536 1.00 0.00 C ATOM 675 O TYR A 44 3.382 -0.050 -0.170 1.00 0.00 O ATOM 676 CB TYR A 44 2.864 3.154 1.155 1.00 0.00 C ATOM 677 CG TYR A 44 4.384 3.170 1.399 1.00 0.00 C ATOM 678 CD1 TYR A 44 5.256 3.755 0.472 1.00 0.00 C ATOM 679 CD2 TYR A 44 4.948 2.603 2.546 1.00 0.00 C ATOM 680 CE1 TYR A 44 6.620 3.771 0.687 1.00 0.00 C ATOM 681 CE2 TYR A 44 6.309 2.621 2.759 1.00 0.00 C ATOM 682 CZ TYR A 44 7.136 3.206 1.831 1.00 0.00 C ATOM 683 OH TYR A 44 8.492 3.234 2.054 1.00 0.00 O ATOM 0 H TYR A 44 0.551 3.080 0.328 1.00 0.00 H new ATOM 0 HA TYR A 44 2.982 2.299 -0.827 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.545 4.151 0.850 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.358 2.931 2.094 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.855 4.201 -0.426 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.304 2.142 3.280 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.279 4.225 -0.039 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.724 2.177 3.652 1.00 0.00 H new ATOM 0 HH TYR A 44 8.692 2.794 2.906 1.00 0.00 H new ATOM 693 N HIS A 45 2.123 0.294 1.686 1.00 0.00 N ATOM 694 CA HIS A 45 2.382 -1.025 2.327 1.00 0.00 C ATOM 695 C HIS A 45 1.932 -2.219 1.458 1.00 0.00 C ATOM 696 O HIS A 45 2.534 -3.299 1.520 1.00 0.00 O ATOM 697 CB HIS A 45 1.724 -1.083 3.732 1.00 0.00 C ATOM 698 CG HIS A 45 2.380 -0.188 4.742 1.00 0.00 C ATOM 699 ND1 HIS A 45 3.099 -0.661 5.813 1.00 0.00 N ATOM 700 CD2 HIS A 45 2.431 1.160 4.827 1.00 0.00 C ATOM 701 CE1 HIS A 45 3.563 0.357 6.511 1.00 0.00 C ATOM 702 NE2 HIS A 45 3.169 1.470 5.930 1.00 0.00 N ATOM 0 H HIS A 45 1.463 0.875 2.203 1.00 0.00 H new ATOM 0 HA HIS A 45 3.463 -1.116 2.434 1.00 0.00 H new ATOM 0 HB2 HIS A 45 0.673 -0.807 3.643 1.00 0.00 H new ATOM 0 HB3 HIS A 45 1.754 -2.110 4.096 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.972 1.862 4.147 1.00 0.00 H new ATOM 0 HE1 HIS A 45 4.163 0.289 7.406 1.00 0.00 H new ATOM 0 HE2 HIS A 45 3.382 2.414 6.253 1.00 0.00 H new ATOM 711 N LEU A 46 0.895 -2.000 0.642 1.00 0.00 N ATOM 712 CA LEU A 46 0.358 -3.004 -0.294 1.00 0.00 C ATOM 713 C LEU A 46 1.340 -3.212 -1.450 1.00 0.00 C ATOM 714 O LEU A 46 1.587 -4.350 -1.866 1.00 0.00 O ATOM 715 CB LEU A 46 -1.031 -2.547 -0.816 1.00 0.00 C ATOM 716 CG LEU A 46 -1.756 -3.473 -1.850 1.00 0.00 C ATOM 717 CD1 LEU A 46 -1.837 -4.939 -1.369 1.00 0.00 C ATOM 718 CD2 LEU A 46 -3.162 -2.936 -2.175 1.00 0.00 C ATOM 0 H LEU A 46 0.396 -1.111 0.610 1.00 0.00 H new ATOM 0 HA LEU A 46 0.232 -3.955 0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.689 -2.423 0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.912 -1.564 -1.271 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.155 -3.463 -2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.348 -5.541 -2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.830 -5.328 -1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.390 -4.984 -0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.646 -3.596 -2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.756 -2.897 -1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.080 -1.935 -2.598 1.00 0.00 H new ATOM 730 N GLY A 47 1.912 -2.096 -1.938 1.00 0.00 N ATOM 731 CA GLY A 47 2.895 -2.135 -3.009 1.00 0.00 C ATOM 732 C GLY A 47 4.217 -2.738 -2.562 1.00 0.00 C ATOM 733 O GLY A 47 4.847 -3.489 -3.311 1.00 0.00 O ATOM 0 H GLY A 47 1.702 -1.158 -1.598 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.498 -2.715 -3.842 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.066 -1.124 -3.378 1.00 0.00 H new ATOM 737 N LYS A 48 4.632 -2.410 -1.317 1.00 0.00 N ATOM 738 CA LYS A 48 5.863 -2.955 -0.713 1.00 0.00 C ATOM 739 C LYS A 48 5.765 -4.482 -0.635 1.00 0.00 C ATOM 740 O LYS A 48 6.733 -5.203 -0.898 1.00 0.00 O ATOM 741 CB LYS A 48 6.103 -2.385 0.715 1.00 0.00 C ATOM 742 CG LYS A 48 6.315 -0.853 0.821 1.00 0.00 C ATOM 743 CD LYS A 48 7.509 -0.289 -0.003 1.00 0.00 C ATOM 744 CE LYS A 48 8.881 -0.937 0.313 1.00 0.00 C ATOM 745 NZ LYS A 48 9.120 -2.195 -0.446 1.00 0.00 N ATOM 0 H LYS A 48 4.126 -1.765 -0.710 1.00 0.00 H new ATOM 0 HA LYS A 48 6.702 -2.661 -1.344 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.251 -2.655 1.338 1.00 0.00 H new ATOM 0 HB3 LYS A 48 6.977 -2.881 1.138 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.402 -0.353 0.496 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.464 -0.595 1.869 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.296 -0.423 -1.063 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.580 0.784 0.175 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.674 -0.225 0.084 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.940 -1.147 1.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.138 -2.408 -0.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.605 -2.977 0.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.784 -2.080 -1.423 1.00 0.00 H new ATOM 759 N LEU A 49 4.560 -4.940 -0.268 1.00 0.00 N ATOM 760 CA LEU A 49 4.238 -6.357 -0.157 1.00 0.00 C ATOM 761 C LEU A 49 4.259 -7.031 -1.537 1.00 0.00 C ATOM 762 O LEU A 49 4.764 -8.147 -1.657 1.00 0.00 O ATOM 763 CB LEU A 49 2.882 -6.525 0.560 1.00 0.00 C ATOM 764 CG LEU A 49 2.385 -7.988 0.791 1.00 0.00 C ATOM 765 CD1 LEU A 49 3.490 -8.893 1.394 1.00 0.00 C ATOM 766 CD2 LEU A 49 1.128 -7.989 1.688 1.00 0.00 C ATOM 0 H LEU A 49 3.779 -4.326 -0.039 1.00 0.00 H new ATOM 0 HA LEU A 49 4.997 -6.857 0.444 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.947 -6.031 1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.124 -5.996 -0.018 1.00 0.00 H new ATOM 0 HG LEU A 49 2.128 -8.405 -0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.098 -9.900 1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.342 -8.928 0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.808 -8.488 2.355 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.791 -9.014 1.842 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.368 -7.538 2.651 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.336 -7.416 1.206 1.00 0.00 H new ATOM 778 N TYR A 50 3.737 -6.333 -2.565 1.00 0.00 N ATOM 779 CA TYR A 50 3.819 -6.800 -3.959 1.00 0.00 C ATOM 780 C TYR A 50 5.282 -7.067 -4.362 1.00 0.00 C ATOM 781 O TYR A 50 5.581 -8.131 -4.880 1.00 0.00 O ATOM 782 CB TYR A 50 3.167 -5.795 -4.953 1.00 0.00 C ATOM 783 CG TYR A 50 1.629 -5.760 -4.942 1.00 0.00 C ATOM 784 CD1 TYR A 50 0.875 -6.939 -4.907 1.00 0.00 C ATOM 785 CD2 TYR A 50 0.929 -4.555 -4.997 1.00 0.00 C ATOM 786 CE1 TYR A 50 -0.511 -6.904 -4.919 1.00 0.00 C ATOM 787 CE2 TYR A 50 -0.447 -4.527 -5.007 1.00 0.00 C ATOM 788 CZ TYR A 50 -1.162 -5.693 -4.969 1.00 0.00 C ATOM 789 OH TYR A 50 -2.539 -5.643 -4.965 1.00 0.00 O ATOM 0 H TYR A 50 3.253 -5.442 -2.453 1.00 0.00 H new ATOM 0 HA TYR A 50 3.258 -7.733 -4.014 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.538 -4.795 -4.728 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.501 -6.039 -5.961 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.382 -7.892 -4.870 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.478 -3.625 -5.032 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.077 -7.823 -4.889 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -0.965 -3.580 -5.045 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.833 -4.709 -5.003 1.00 0.00 H new ATOM 799 N GLU A 51 6.193 -6.122 -4.057 1.00 0.00 N ATOM 800 CA GLU A 51 7.636 -6.252 -4.396 1.00 0.00 C ATOM 801 C GLU A 51 8.271 -7.498 -3.742 1.00 0.00 C ATOM 802 O GLU A 51 9.108 -8.169 -4.356 1.00 0.00 O ATOM 803 CB GLU A 51 8.416 -4.989 -3.978 1.00 0.00 C ATOM 804 CG GLU A 51 7.940 -3.683 -4.634 1.00 0.00 C ATOM 805 CD GLU A 51 8.870 -2.504 -4.330 1.00 0.00 C ATOM 806 OE1 GLU A 51 9.889 -2.348 -5.035 1.00 0.00 O ATOM 807 OE2 GLU A 51 8.618 -1.750 -3.356 1.00 0.00 O ATOM 0 H GLU A 51 5.960 -5.254 -3.574 1.00 0.00 H new ATOM 0 HA GLU A 51 7.698 -6.368 -5.478 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.347 -4.880 -2.896 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.469 -5.135 -4.218 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.877 -3.824 -5.713 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.935 -3.449 -4.284 1.00 0.00 H new ATOM 814 N ARG A 52 7.855 -7.786 -2.492 1.00 0.00 N ATOM 815 CA ARG A 52 8.262 -9.006 -1.760 1.00 0.00 C ATOM 816 C ARG A 52 7.814 -10.267 -2.527 1.00 0.00 C ATOM 817 O ARG A 52 8.578 -11.219 -2.699 1.00 0.00 O ATOM 818 CB ARG A 52 7.642 -8.987 -0.332 1.00 0.00 C ATOM 819 CG ARG A 52 8.153 -7.832 0.565 1.00 0.00 C ATOM 820 CD ARG A 52 7.306 -7.614 1.839 1.00 0.00 C ATOM 821 NE ARG A 52 7.201 -8.817 2.689 1.00 0.00 N ATOM 822 CZ ARG A 52 6.730 -8.836 3.954 1.00 0.00 C ATOM 823 NH1 ARG A 52 6.400 -7.714 4.583 1.00 0.00 N ATOM 824 NH2 ARG A 52 6.619 -9.991 4.594 1.00 0.00 N ATOM 0 H ARG A 52 7.228 -7.181 -1.961 1.00 0.00 H new ATOM 0 HA ARG A 52 9.349 -9.028 -1.676 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.558 -8.912 -0.419 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.858 -9.936 0.159 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.183 -8.038 0.855 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.163 -6.910 -0.016 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.743 -6.804 2.422 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.305 -7.294 1.550 1.00 0.00 H new ATOM 0 HE ARG A 52 7.509 -9.703 2.289 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.501 -6.816 4.110 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.046 -7.750 5.539 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.889 -10.859 4.131 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.264 -10.012 5.550 1.00 0.00 H new ATOM 838 N LEU A 53 6.572 -10.216 -3.033 1.00 0.00 N ATOM 839 CA LEU A 53 5.920 -11.329 -3.752 1.00 0.00 C ATOM 840 C LEU A 53 6.356 -11.410 -5.241 1.00 0.00 C ATOM 841 O LEU A 53 5.738 -12.155 -6.006 1.00 0.00 O ATOM 842 CB LEU A 53 4.379 -11.142 -3.658 1.00 0.00 C ATOM 843 CG LEU A 53 3.780 -11.090 -2.215 1.00 0.00 C ATOM 844 CD1 LEU A 53 2.306 -10.629 -2.232 1.00 0.00 C ATOM 845 CD2 LEU A 53 3.928 -12.446 -1.487 1.00 0.00 C ATOM 0 H LEU A 53 5.981 -9.389 -2.954 1.00 0.00 H new ATOM 0 HA LEU A 53 6.226 -12.265 -3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.113 -10.219 -4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.901 -11.958 -4.199 1.00 0.00 H new ATOM 0 HG LEU A 53 4.354 -10.351 -1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.921 -10.604 -1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.241 -9.632 -2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.714 -11.325 -2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.500 -12.371 -0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.404 -13.220 -2.049 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.984 -12.705 -1.411 1.00 0.00 H new ATOM 857 N ASP A 54 7.417 -10.650 -5.640 1.00 0.00 N ATOM 858 CA ASP A 54 7.896 -10.545 -7.054 1.00 0.00 C ATOM 859 C ASP A 54 6.796 -10.000 -8.003 1.00 0.00 C ATOM 860 O ASP A 54 6.807 -10.242 -9.216 1.00 0.00 O ATOM 861 CB ASP A 54 8.470 -11.903 -7.562 1.00 0.00 C ATOM 862 CG ASP A 54 9.704 -12.380 -6.769 1.00 0.00 C ATOM 863 OD1 ASP A 54 10.848 -12.026 -7.145 1.00 0.00 O ATOM 864 OD2 ASP A 54 9.539 -13.104 -5.756 1.00 0.00 O ATOM 0 H ASP A 54 7.967 -10.090 -4.988 1.00 0.00 H new ATOM 0 HA ASP A 54 8.709 -9.819 -7.063 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.692 -12.664 -7.501 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.739 -11.805 -8.614 1.00 0.00 H new ATOM 869 N ARG A 55 5.870 -9.242 -7.411 1.00 0.00 N ATOM 870 CA ARG A 55 4.788 -8.532 -8.116 1.00 0.00 C ATOM 871 C ARG A 55 5.129 -7.030 -8.158 1.00 0.00 C ATOM 872 O ARG A 55 4.261 -6.175 -7.988 1.00 0.00 O ATOM 873 CB ARG A 55 3.415 -8.763 -7.403 1.00 0.00 C ATOM 874 CG ARG A 55 3.000 -10.235 -7.178 1.00 0.00 C ATOM 875 CD ARG A 55 3.169 -11.123 -8.423 1.00 0.00 C ATOM 876 NE ARG A 55 2.673 -10.476 -9.649 1.00 0.00 N ATOM 877 CZ ARG A 55 3.071 -10.771 -10.890 1.00 0.00 C ATOM 878 NH1 ARG A 55 3.855 -11.816 -11.129 1.00 0.00 N ATOM 879 NH2 ARG A 55 2.687 -10.008 -11.889 1.00 0.00 N ATOM 0 H ARG A 55 5.847 -9.098 -6.401 1.00 0.00 H new ATOM 0 HA ARG A 55 4.701 -8.919 -9.131 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.444 -8.264 -6.435 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.638 -8.274 -7.990 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.594 -10.650 -6.363 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.958 -10.265 -6.860 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.223 -11.371 -8.548 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.637 -12.062 -8.271 1.00 0.00 H new ATOM 0 HE ARG A 55 1.970 -9.745 -9.543 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.163 -12.409 -10.359 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.149 -12.026 -12.083 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.091 -9.199 -11.713 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.985 -10.225 -12.840 1.00 0.00 H new ATOM 893 N THR A 56 6.410 -6.730 -8.416 1.00 0.00 N ATOM 894 CA THR A 56 6.961 -5.361 -8.417 1.00 0.00 C ATOM 895 C THR A 56 6.256 -4.466 -9.476 1.00 0.00 C ATOM 896 O THR A 56 6.138 -3.249 -9.299 1.00 0.00 O ATOM 897 CB THR A 56 8.503 -5.430 -8.665 1.00 0.00 C ATOM 898 OG1 THR A 56 9.076 -6.423 -7.790 1.00 0.00 O ATOM 899 CG2 THR A 56 9.208 -4.082 -8.429 1.00 0.00 C ATOM 0 H THR A 56 7.107 -7.442 -8.634 1.00 0.00 H new ATOM 0 HA THR A 56 6.776 -4.902 -7.446 1.00 0.00 H new ATOM 0 HB THR A 56 8.652 -5.694 -9.712 1.00 0.00 H new ATOM 0 HG1 THR A 56 10.043 -6.473 -7.941 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.276 -4.192 -8.617 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.796 -3.333 -9.105 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.052 -3.765 -7.398 1.00 0.00 H new ATOM 907 N ASP A 57 5.780 -5.105 -10.558 1.00 0.00 N ATOM 908 CA ASP A 57 4.981 -4.450 -11.617 1.00 0.00 C ATOM 909 C ASP A 57 3.609 -4.000 -11.059 1.00 0.00 C ATOM 910 O ASP A 57 3.178 -2.868 -11.292 1.00 0.00 O ATOM 911 CB ASP A 57 4.799 -5.404 -12.839 1.00 0.00 C ATOM 912 CG ASP A 57 4.061 -6.718 -12.503 1.00 0.00 C ATOM 913 OD1 ASP A 57 4.580 -7.498 -11.669 1.00 0.00 O ATOM 914 OD2 ASP A 57 2.976 -6.984 -13.073 1.00 0.00 O ATOM 0 H ASP A 57 5.938 -6.098 -10.727 1.00 0.00 H new ATOM 0 HA ASP A 57 5.518 -3.565 -11.957 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.248 -4.878 -13.619 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.780 -5.644 -13.249 1.00 0.00 H new ATOM 919 N ASP A 58 2.954 -4.892 -10.290 1.00 0.00 N ATOM 920 CA ASP A 58 1.667 -4.597 -9.610 1.00 0.00 C ATOM 921 C ASP A 58 1.847 -3.475 -8.575 1.00 0.00 C ATOM 922 O ASP A 58 0.932 -2.667 -8.354 1.00 0.00 O ATOM 923 CB ASP A 58 1.088 -5.864 -8.927 1.00 0.00 C ATOM 924 CG ASP A 58 0.678 -6.942 -9.939 1.00 0.00 C ATOM 925 OD1 ASP A 58 -0.483 -6.923 -10.413 1.00 0.00 O ATOM 926 OD2 ASP A 58 1.507 -7.810 -10.280 1.00 0.00 O ATOM 0 H ASP A 58 3.298 -5.837 -10.120 1.00 0.00 H new ATOM 0 HA ASP A 58 0.959 -4.266 -10.370 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.830 -6.276 -8.243 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.222 -5.586 -8.327 1.00 0.00 H new ATOM 931 N ALA A 59 3.052 -3.440 -7.963 1.00 0.00 N ATOM 932 CA ALA A 59 3.451 -2.401 -7.001 1.00 0.00 C ATOM 933 C ALA A 59 3.420 -1.011 -7.654 1.00 0.00 C ATOM 934 O ALA A 59 2.889 -0.071 -7.064 1.00 0.00 O ATOM 935 CB ALA A 59 4.845 -2.703 -6.422 1.00 0.00 C ATOM 0 H ALA A 59 3.776 -4.139 -8.127 1.00 0.00 H new ATOM 0 HA ALA A 59 2.734 -2.404 -6.180 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.121 -1.923 -5.713 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.826 -3.666 -5.912 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.576 -2.734 -7.230 1.00 0.00 H new ATOM 941 N ILE A 60 3.954 -0.913 -8.901 1.00 0.00 N ATOM 942 CA ILE A 60 4.026 0.362 -9.665 1.00 0.00 C ATOM 943 C ILE A 60 2.628 0.992 -9.797 1.00 0.00 C ATOM 944 O ILE A 60 2.443 2.186 -9.553 1.00 0.00 O ATOM 945 CB ILE A 60 4.615 0.176 -11.128 1.00 0.00 C ATOM 946 CG1 ILE A 60 5.947 -0.642 -11.122 1.00 0.00 C ATOM 947 CG2 ILE A 60 4.808 1.544 -11.830 1.00 0.00 C ATOM 948 CD1 ILE A 60 7.014 -0.082 -10.211 1.00 0.00 C ATOM 0 H ILE A 60 4.345 -1.711 -9.402 1.00 0.00 H new ATOM 0 HA ILE A 60 4.697 1.009 -9.100 1.00 0.00 H new ATOM 0 HB ILE A 60 3.884 -0.399 -11.697 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.729 -1.667 -10.821 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.339 -0.685 -12.138 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.212 1.386 -12.830 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.847 2.054 -11.904 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.500 2.156 -11.251 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.905 -0.708 -10.266 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.263 0.932 -10.523 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.645 -0.065 -9.186 1.00 0.00 H new ATOM 960 N ASP A 61 1.662 0.138 -10.172 1.00 0.00 N ATOM 961 CA ASP A 61 0.258 0.527 -10.391 1.00 0.00 C ATOM 962 C ASP A 61 -0.401 0.999 -9.078 1.00 0.00 C ATOM 963 O ASP A 61 -1.179 1.959 -9.073 1.00 0.00 O ATOM 964 CB ASP A 61 -0.520 -0.671 -11.001 1.00 0.00 C ATOM 965 CG ASP A 61 -1.981 -0.338 -11.375 1.00 0.00 C ATOM 966 OD1 ASP A 61 -2.200 0.365 -12.388 1.00 0.00 O ATOM 967 OD2 ASP A 61 -2.907 -0.756 -10.649 1.00 0.00 O ATOM 0 H ASP A 61 1.835 -0.854 -10.334 1.00 0.00 H new ATOM 0 HA ASP A 61 0.229 1.365 -11.088 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.004 -1.017 -11.892 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.516 -1.496 -10.289 1.00 0.00 H new ATOM 972 N THR A 62 -0.054 0.326 -7.970 1.00 0.00 N ATOM 973 CA THR A 62 -0.612 0.621 -6.636 1.00 0.00 C ATOM 974 C THR A 62 -0.112 1.980 -6.109 1.00 0.00 C ATOM 975 O THR A 62 -0.898 2.779 -5.586 1.00 0.00 O ATOM 976 CB THR A 62 -0.255 -0.525 -5.641 1.00 0.00 C ATOM 977 OG1 THR A 62 -0.667 -1.769 -6.215 1.00 0.00 O ATOM 978 CG2 THR A 62 -0.936 -0.366 -4.273 1.00 0.00 C ATOM 0 H THR A 62 0.621 -0.439 -7.971 1.00 0.00 H new ATOM 0 HA THR A 62 -1.697 0.683 -6.725 1.00 0.00 H new ATOM 0 HB THR A 62 0.822 -0.490 -5.474 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.053 -2.015 -6.938 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.648 -1.194 -3.625 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.625 0.575 -3.819 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.018 -0.366 -4.403 1.00 0.00 H new ATOM 986 N TYR A 63 1.198 2.221 -6.261 1.00 0.00 N ATOM 987 CA TYR A 63 1.831 3.498 -5.898 1.00 0.00 C ATOM 988 C TYR A 63 1.262 4.644 -6.750 1.00 0.00 C ATOM 989 O TYR A 63 0.936 5.699 -6.221 1.00 0.00 O ATOM 990 CB TYR A 63 3.364 3.435 -6.075 1.00 0.00 C ATOM 991 CG TYR A 63 4.088 2.395 -5.206 1.00 0.00 C ATOM 992 CD1 TYR A 63 3.784 2.245 -3.855 1.00 0.00 C ATOM 993 CD2 TYR A 63 5.088 1.575 -5.736 1.00 0.00 C ATOM 994 CE1 TYR A 63 4.442 1.321 -3.079 1.00 0.00 C ATOM 995 CE2 TYR A 63 5.747 0.654 -4.959 1.00 0.00 C ATOM 996 CZ TYR A 63 5.422 0.534 -3.635 1.00 0.00 C ATOM 997 OH TYR A 63 6.084 -0.370 -2.860 1.00 0.00 O ATOM 0 H TYR A 63 1.850 1.535 -6.640 1.00 0.00 H new ATOM 0 HA TYR A 63 1.611 3.686 -4.847 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.583 3.224 -7.122 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.778 4.419 -5.855 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.019 2.864 -3.410 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.348 1.668 -6.780 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.189 1.214 -2.034 1.00 0.00 H new ATOM 0 HE2 TYR A 63 6.516 0.029 -5.389 1.00 0.00 H new ATOM 0 HH TYR A 63 6.901 -0.658 -3.319 1.00 0.00 H new ATOM 1007 N ALA A 64 1.129 4.392 -8.074 1.00 0.00 N ATOM 1008 CA ALA A 64 0.615 5.369 -9.060 1.00 0.00 C ATOM 1009 C ALA A 64 -0.826 5.816 -8.737 1.00 0.00 C ATOM 1010 O ALA A 64 -1.172 6.996 -8.871 1.00 0.00 O ATOM 1011 CB ALA A 64 0.684 4.776 -10.477 1.00 0.00 C ATOM 0 H ALA A 64 1.379 3.495 -8.490 1.00 0.00 H new ATOM 0 HA ALA A 64 1.249 6.254 -9.006 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.303 5.503 -11.195 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.719 4.534 -10.720 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.079 3.871 -10.522 1.00 0.00 H new ATOM 1017 N GLN A 65 -1.651 4.846 -8.305 1.00 0.00 N ATOM 1018 CA GLN A 65 -3.044 5.089 -7.892 1.00 0.00 C ATOM 1019 C GLN A 65 -3.040 5.870 -6.573 1.00 0.00 C ATOM 1020 O GLN A 65 -3.852 6.782 -6.361 1.00 0.00 O ATOM 1021 CB GLN A 65 -3.823 3.726 -7.779 1.00 0.00 C ATOM 1022 CG GLN A 65 -5.247 3.722 -8.410 1.00 0.00 C ATOM 1023 CD GLN A 65 -6.423 4.133 -7.499 1.00 0.00 C ATOM 1024 OE1 GLN A 65 -7.535 3.647 -7.686 1.00 0.00 O ATOM 1025 NE2 GLN A 65 -6.232 5.045 -6.556 1.00 0.00 N ATOM 0 H GLN A 65 -1.369 3.868 -8.232 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.564 5.687 -8.640 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.229 2.946 -8.256 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.909 3.461 -6.725 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.237 4.390 -9.271 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.446 2.719 -8.787 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.303 5.441 -6.410 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.014 5.350 -5.976 1.00 0.00 H new ATOM 1034 N GLY A 66 -2.095 5.494 -5.702 1.00 0.00 N ATOM 1035 CA GLY A 66 -1.877 6.172 -4.437 1.00 0.00 C ATOM 1036 C GLY A 66 -1.478 7.631 -4.606 1.00 0.00 C ATOM 1037 O GLY A 66 -1.822 8.439 -3.779 1.00 0.00 O ATOM 0 H GLY A 66 -1.464 4.709 -5.863 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.787 6.117 -3.840 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.098 5.650 -3.881 1.00 0.00 H new ATOM 1041 N ILE A 67 -0.746 7.945 -5.690 1.00 0.00 N ATOM 1042 CA ILE A 67 -0.266 9.316 -6.007 1.00 0.00 C ATOM 1043 C ILE A 67 -1.441 10.299 -6.195 1.00 0.00 C ATOM 1044 O ILE A 67 -1.378 11.448 -5.738 1.00 0.00 O ATOM 1045 CB ILE A 67 0.668 9.275 -7.285 1.00 0.00 C ATOM 1046 CG1 ILE A 67 2.026 8.581 -6.934 1.00 0.00 C ATOM 1047 CG2 ILE A 67 0.920 10.672 -7.911 1.00 0.00 C ATOM 1048 CD1 ILE A 67 2.928 8.316 -8.117 1.00 0.00 C ATOM 0 H ILE A 67 -0.464 7.251 -6.383 1.00 0.00 H new ATOM 0 HA ILE A 67 0.317 9.683 -5.163 1.00 0.00 H new ATOM 0 HB ILE A 67 0.138 8.694 -8.040 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.562 9.205 -6.219 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.816 7.634 -6.436 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.567 10.569 -8.782 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.030 11.111 -8.215 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.400 11.319 -7.176 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.844 7.834 -7.775 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.417 7.664 -8.825 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.175 9.259 -8.605 1.00 0.00 H new ATOM 1060 N GLU A 68 -2.525 9.803 -6.821 1.00 0.00 N ATOM 1061 CA GLU A 68 -3.760 10.583 -7.068 1.00 0.00 C ATOM 1062 C GLU A 68 -4.380 11.050 -5.738 1.00 0.00 C ATOM 1063 O GLU A 68 -4.811 12.197 -5.599 1.00 0.00 O ATOM 1064 CB GLU A 68 -4.785 9.710 -7.840 1.00 0.00 C ATOM 1065 CG GLU A 68 -4.253 9.091 -9.151 1.00 0.00 C ATOM 1066 CD GLU A 68 -5.276 8.170 -9.846 1.00 0.00 C ATOM 1067 OE1 GLU A 68 -5.487 7.031 -9.370 1.00 0.00 O ATOM 1068 OE2 GLU A 68 -5.865 8.568 -10.877 1.00 0.00 O ATOM 0 H GLU A 68 -2.572 8.847 -7.172 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.504 11.460 -7.663 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.121 8.906 -7.186 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.659 10.319 -8.071 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.971 9.891 -9.835 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.349 8.522 -8.936 1.00 0.00 H new ATOM 1075 N VAL A 69 -4.434 10.119 -4.779 1.00 0.00 N ATOM 1076 CA VAL A 69 -4.985 10.371 -3.436 1.00 0.00 C ATOM 1077 C VAL A 69 -3.931 10.950 -2.463 1.00 0.00 C ATOM 1078 O VAL A 69 -4.288 11.514 -1.452 1.00 0.00 O ATOM 1079 CB VAL A 69 -5.690 9.095 -2.846 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -6.806 8.604 -3.803 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -4.693 7.960 -2.524 1.00 0.00 C ATOM 0 H VAL A 69 -4.097 9.165 -4.910 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.751 11.138 -3.553 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.142 9.386 -1.898 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.285 7.720 -3.381 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.548 9.392 -3.931 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.371 8.354 -4.771 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.234 7.104 -2.120 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.173 7.663 -3.435 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.968 8.310 -1.790 1.00 0.00 H new ATOM 1091 N ALA A 70 -2.631 10.780 -2.747 1.00 0.00 N ATOM 1092 CA ALA A 70 -1.546 11.225 -1.837 1.00 0.00 C ATOM 1093 C ALA A 70 -1.371 12.746 -1.866 1.00 0.00 C ATOM 1094 O ALA A 70 -1.079 13.364 -0.846 1.00 0.00 O ATOM 1095 CB ALA A 70 -0.230 10.542 -2.183 1.00 0.00 C ATOM 0 H ALA A 70 -2.297 10.336 -3.602 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.837 10.937 -0.827 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.548 10.885 -1.502 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.345 9.462 -2.088 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.050 10.789 -3.207 1.00 0.00 H new ATOM 1101 N ARG A 71 -1.490 13.321 -3.069 1.00 0.00 N ATOM 1102 CA ARG A 71 -1.449 14.782 -3.278 1.00 0.00 C ATOM 1103 C ARG A 71 -2.653 15.489 -2.591 1.00 0.00 C ATOM 1104 O ARG A 71 -2.493 16.556 -1.998 1.00 0.00 O ATOM 1105 CB ARG A 71 -1.408 15.084 -4.810 1.00 0.00 C ATOM 1106 CG ARG A 71 -2.624 14.529 -5.582 1.00 0.00 C ATOM 1107 CD ARG A 71 -2.530 14.649 -7.112 1.00 0.00 C ATOM 1108 NE ARG A 71 -3.799 14.235 -7.755 1.00 0.00 N ATOM 1109 CZ ARG A 71 -4.017 14.143 -9.080 1.00 0.00 C ATOM 1110 NH1 ARG A 71 -3.044 14.354 -9.958 1.00 0.00 N ATOM 1111 NH2 ARG A 71 -5.223 13.821 -9.514 1.00 0.00 N ATOM 0 H ARG A 71 -1.618 12.789 -3.930 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.546 15.180 -2.815 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.356 16.163 -4.958 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.496 14.660 -5.231 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.752 13.478 -5.322 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.519 15.052 -5.246 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.298 15.678 -7.386 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.712 14.029 -7.480 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.577 13.999 -7.139 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.107 14.592 -9.633 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.234 14.278 -10.957 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.975 13.646 -8.847 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.402 13.748 -10.516 1.00 0.00 H new ATOM 1125 N GLU A 72 -3.857 14.883 -2.682 1.00 0.00 N ATOM 1126 CA GLU A 72 -5.114 15.491 -2.183 1.00 0.00 C ATOM 1127 C GLU A 72 -5.445 15.098 -0.722 1.00 0.00 C ATOM 1128 O GLU A 72 -5.629 15.967 0.140 1.00 0.00 O ATOM 1129 CB GLU A 72 -6.262 15.123 -3.161 1.00 0.00 C ATOM 1130 CG GLU A 72 -6.078 15.742 -4.569 1.00 0.00 C ATOM 1131 CD GLU A 72 -7.135 15.324 -5.592 1.00 0.00 C ATOM 1132 OE1 GLU A 72 -8.279 15.833 -5.522 1.00 0.00 O ATOM 1133 OE2 GLU A 72 -6.832 14.491 -6.479 1.00 0.00 O ATOM 0 H GLU A 72 -3.987 13.962 -3.101 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.987 16.573 -2.155 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.321 14.038 -3.252 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.210 15.460 -2.743 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.089 16.828 -4.478 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.095 15.464 -4.948 1.00 0.00 H new ATOM 1140 N GLU A 73 -5.495 13.790 -0.456 1.00 0.00 N ATOM 1141 CA GLU A 73 -5.927 13.236 0.851 1.00 0.00 C ATOM 1142 C GLU A 73 -4.774 13.215 1.864 1.00 0.00 C ATOM 1143 O GLU A 73 -4.966 13.545 3.041 1.00 0.00 O ATOM 1144 CB GLU A 73 -6.509 11.809 0.659 1.00 0.00 C ATOM 1145 CG GLU A 73 -7.678 11.744 -0.342 1.00 0.00 C ATOM 1146 CD GLU A 73 -8.898 12.573 0.096 1.00 0.00 C ATOM 1147 OE1 GLU A 73 -9.715 12.063 0.890 1.00 0.00 O ATOM 1148 OE2 GLU A 73 -9.043 13.737 -0.341 1.00 0.00 O ATOM 0 H GLU A 73 -5.238 13.075 -1.136 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.704 13.887 1.252 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.714 11.145 0.319 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.848 11.432 1.624 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.336 12.099 -1.314 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.980 10.705 -0.471 1.00 0.00 H new ATOM 1155 N GLY A 74 -3.582 12.821 1.394 1.00 0.00 N ATOM 1156 CA GLY A 74 -2.390 12.753 2.246 1.00 0.00 C ATOM 1157 C GLY A 74 -1.533 14.008 2.131 1.00 0.00 C ATOM 1158 O GLY A 74 -1.904 14.967 1.431 1.00 0.00 O ATOM 0 H GLY A 74 -3.419 12.544 0.426 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.694 12.615 3.284 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.796 11.882 1.969 1.00 0.00 H new ATOM 1162 N THR A 75 -0.403 14.023 2.846 1.00 0.00 N ATOM 1163 CA THR A 75 0.575 15.126 2.783 1.00 0.00 C ATOM 1164 C THR A 75 1.530 14.945 1.586 1.00 0.00 C ATOM 1165 O THR A 75 1.532 13.891 0.932 1.00 0.00 O ATOM 1166 CB THR A 75 1.411 15.205 4.102 1.00 0.00 C ATOM 1167 OG1 THR A 75 2.100 13.962 4.319 1.00 0.00 O ATOM 1168 CG2 THR A 75 0.538 15.526 5.329 1.00 0.00 C ATOM 0 H THR A 75 -0.136 13.274 3.485 1.00 0.00 H new ATOM 0 HA THR A 75 0.016 16.053 2.658 1.00 0.00 H new ATOM 0 HB THR A 75 2.127 16.018 3.982 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.492 13.958 5.217 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.165 15.570 6.220 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.046 16.488 5.184 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.215 14.748 5.453 1.00 0.00 H new ATOM 1176 N GLN A 76 2.348 15.986 1.313 1.00 0.00 N ATOM 1177 CA GLN A 76 3.424 15.921 0.303 1.00 0.00 C ATOM 1178 C GLN A 76 4.432 14.808 0.659 1.00 0.00 C ATOM 1179 O GLN A 76 5.008 14.190 -0.237 1.00 0.00 O ATOM 1180 CB GLN A 76 4.128 17.307 0.171 1.00 0.00 C ATOM 1181 CG GLN A 76 5.413 17.326 -0.695 1.00 0.00 C ATOM 1182 CD GLN A 76 5.212 16.831 -2.135 1.00 0.00 C ATOM 1183 OE1 GLN A 76 4.157 17.016 -2.733 1.00 0.00 O ATOM 1184 NE2 GLN A 76 6.220 16.184 -2.692 1.00 0.00 N ATOM 0 H GLN A 76 2.281 16.888 1.784 1.00 0.00 H new ATOM 0 HA GLN A 76 2.986 15.675 -0.664 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.417 18.017 -0.251 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.379 17.663 1.170 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.802 18.344 -0.724 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.171 16.708 -0.213 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.086 16.044 -2.172 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.132 15.824 -3.642 1.00 0.00 H new ATOM 1193 N LYS A 77 4.612 14.556 1.971 1.00 0.00 N ATOM 1194 CA LYS A 77 5.452 13.454 2.463 1.00 0.00 C ATOM 1195 C LYS A 77 4.957 12.106 1.896 1.00 0.00 C ATOM 1196 O LYS A 77 5.741 11.371 1.300 1.00 0.00 O ATOM 1197 CB LYS A 77 5.467 13.424 4.011 1.00 0.00 C ATOM 1198 CG LYS A 77 6.279 12.253 4.621 1.00 0.00 C ATOM 1199 CD LYS A 77 6.263 12.249 6.164 1.00 0.00 C ATOM 1200 CE LYS A 77 7.010 11.040 6.761 1.00 0.00 C ATOM 1201 NZ LYS A 77 7.004 11.062 8.243 1.00 0.00 N ATOM 0 H LYS A 77 4.181 15.108 2.712 1.00 0.00 H new ATOM 0 HA LYS A 77 6.473 13.619 2.118 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.879 14.365 4.377 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.440 13.364 4.371 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.875 11.309 4.256 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.310 12.313 4.274 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.717 13.169 6.531 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.230 12.242 6.513 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.547 10.118 6.410 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.039 11.036 6.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.516 10.232 8.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.469 11.930 8.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.023 11.040 8.587 1.00 0.00 H new ATOM 1215 N ASP A 78 3.632 11.845 2.030 1.00 0.00 N ATOM 1216 CA ASP A 78 2.988 10.593 1.547 1.00 0.00 C ATOM 1217 C ASP A 78 3.159 10.445 0.036 1.00 0.00 C ATOM 1218 O ASP A 78 3.451 9.350 -0.464 1.00 0.00 O ATOM 1219 CB ASP A 78 1.474 10.558 1.900 1.00 0.00 C ATOM 1220 CG ASP A 78 1.214 10.454 3.407 1.00 0.00 C ATOM 1221 OD1 ASP A 78 1.700 9.485 4.036 1.00 0.00 O ATOM 1222 OD2 ASP A 78 0.548 11.345 3.980 1.00 0.00 O ATOM 0 H ASP A 78 2.981 12.493 2.474 1.00 0.00 H new ATOM 0 HA ASP A 78 3.482 9.762 2.051 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.996 11.459 1.515 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.009 9.710 1.397 1.00 0.00 H new ATOM 1227 N LEU A 79 2.958 11.572 -0.672 1.00 0.00 N ATOM 1228 CA LEU A 79 3.146 11.658 -2.125 1.00 0.00 C ATOM 1229 C LEU A 79 4.582 11.257 -2.515 1.00 0.00 C ATOM 1230 O LEU A 79 4.781 10.446 -3.423 1.00 0.00 O ATOM 1231 CB LEU A 79 2.819 13.097 -2.620 1.00 0.00 C ATOM 1232 CG LEU A 79 2.865 13.320 -4.163 1.00 0.00 C ATOM 1233 CD1 LEU A 79 1.866 12.394 -4.885 1.00 0.00 C ATOM 1234 CD2 LEU A 79 2.609 14.804 -4.525 1.00 0.00 C ATOM 0 H LEU A 79 2.659 12.450 -0.247 1.00 0.00 H new ATOM 0 HA LEU A 79 2.462 10.960 -2.608 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.824 13.364 -2.265 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.520 13.788 -2.153 1.00 0.00 H new ATOM 0 HG LEU A 79 3.868 13.065 -4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.918 12.570 -5.959 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.116 11.354 -4.675 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.856 12.603 -4.532 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.648 14.926 -5.607 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.626 15.103 -4.161 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.373 15.429 -4.062 1.00 0.00 H new ATOM 1246 N SER A 80 5.564 11.795 -1.769 1.00 0.00 N ATOM 1247 CA SER A 80 6.988 11.549 -2.008 1.00 0.00 C ATOM 1248 C SER A 80 7.371 10.088 -1.736 1.00 0.00 C ATOM 1249 O SER A 80 8.238 9.565 -2.413 1.00 0.00 O ATOM 1250 CB SER A 80 7.842 12.506 -1.149 1.00 0.00 C ATOM 1251 OG SER A 80 7.549 13.861 -1.457 1.00 0.00 O ATOM 0 H SER A 80 5.385 12.416 -0.980 1.00 0.00 H new ATOM 0 HA SER A 80 7.187 11.742 -3.062 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.652 12.320 -0.092 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.900 12.310 -1.322 1.00 0.00 H new ATOM 0 HG SER A 80 6.683 14.105 -1.069 1.00 0.00 H new ATOM 1257 N GLU A 81 6.693 9.435 -0.768 1.00 0.00 N ATOM 1258 CA GLU A 81 6.970 8.029 -0.409 1.00 0.00 C ATOM 1259 C GLU A 81 6.573 7.077 -1.552 1.00 0.00 C ATOM 1260 O GLU A 81 7.323 6.174 -1.908 1.00 0.00 O ATOM 1261 CB GLU A 81 6.230 7.617 0.897 1.00 0.00 C ATOM 1262 CG GLU A 81 6.551 8.475 2.136 1.00 0.00 C ATOM 1263 CD GLU A 81 8.055 8.699 2.364 1.00 0.00 C ATOM 1264 OE1 GLU A 81 8.766 7.715 2.681 1.00 0.00 O ATOM 1265 OE2 GLU A 81 8.538 9.847 2.221 1.00 0.00 O ATOM 0 H GLU A 81 5.947 9.862 -0.219 1.00 0.00 H new ATOM 0 HA GLU A 81 8.044 7.949 -0.238 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.156 7.659 0.715 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.475 6.579 1.121 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.061 9.443 2.033 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.127 7.995 3.018 1.00 0.00 H new ATOM 1272 N LEU A 82 5.382 7.309 -2.112 1.00 0.00 N ATOM 1273 CA LEU A 82 4.812 6.485 -3.198 1.00 0.00 C ATOM 1274 C LEU A 82 5.588 6.652 -4.518 1.00 0.00 C ATOM 1275 O LEU A 82 5.806 5.679 -5.246 1.00 0.00 O ATOM 1276 CB LEU A 82 3.329 6.865 -3.385 1.00 0.00 C ATOM 1277 CG LEU A 82 2.407 6.486 -2.182 1.00 0.00 C ATOM 1278 CD1 LEU A 82 1.052 7.191 -2.270 1.00 0.00 C ATOM 1279 CD2 LEU A 82 2.219 4.959 -2.088 1.00 0.00 C ATOM 0 H LEU A 82 4.777 8.079 -1.827 1.00 0.00 H new ATOM 0 HA LEU A 82 4.895 5.435 -2.918 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.261 7.940 -3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.952 6.376 -4.283 1.00 0.00 H new ATOM 0 HG LEU A 82 2.902 6.827 -1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.437 6.904 -1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.202 8.271 -2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.550 6.901 -3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.573 4.723 -1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.762 4.591 -3.007 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.189 4.481 -1.948 1.00 0.00 H new ATOM 1291 N GLN A 83 6.007 7.895 -4.800 1.00 0.00 N ATOM 1292 CA GLN A 83 6.785 8.237 -6.006 1.00 0.00 C ATOM 1293 C GLN A 83 8.209 7.652 -5.903 1.00 0.00 C ATOM 1294 O GLN A 83 8.714 7.076 -6.863 1.00 0.00 O ATOM 1295 CB GLN A 83 6.819 9.774 -6.194 1.00 0.00 C ATOM 1296 CG GLN A 83 5.443 10.392 -6.505 1.00 0.00 C ATOM 1297 CD GLN A 83 5.400 11.920 -6.461 1.00 0.00 C ATOM 1298 OE1 GLN A 83 4.654 12.552 -7.214 1.00 0.00 O ATOM 1299 NE2 GLN A 83 6.155 12.524 -5.549 1.00 0.00 N ATOM 0 H GLN A 83 5.816 8.696 -4.198 1.00 0.00 H new ATOM 0 HA GLN A 83 6.306 7.799 -6.882 1.00 0.00 H new ATOM 0 HB2 GLN A 83 7.217 10.233 -5.289 1.00 0.00 H new ATOM 0 HB3 GLN A 83 7.507 10.017 -7.004 1.00 0.00 H new ATOM 0 HG2 GLN A 83 5.128 10.062 -7.495 1.00 0.00 H new ATOM 0 HG3 GLN A 83 4.716 10.002 -5.793 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.761 11.972 -4.942 1.00 0.00 H new ATOM 0 HE22 GLN A 83 6.128 13.539 -5.456 1.00 0.00 H new ATOM 1308 N ASP A 84 8.815 7.792 -4.710 1.00 0.00 N ATOM 1309 CA ASP A 84 10.149 7.231 -4.373 1.00 0.00 C ATOM 1310 C ASP A 84 10.155 5.704 -4.538 1.00 0.00 C ATOM 1311 O ASP A 84 11.072 5.121 -5.143 1.00 0.00 O ATOM 1312 CB ASP A 84 10.508 7.625 -2.911 1.00 0.00 C ATOM 1313 CG ASP A 84 11.803 7.011 -2.349 1.00 0.00 C ATOM 1314 OD1 ASP A 84 12.885 7.274 -2.890 1.00 0.00 O ATOM 1315 OD2 ASP A 84 11.743 6.292 -1.330 1.00 0.00 O ATOM 0 H ASP A 84 8.391 8.305 -3.937 1.00 0.00 H new ATOM 0 HA ASP A 84 10.895 7.640 -5.054 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.590 8.711 -2.857 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.680 7.336 -2.263 1.00 0.00 H new ATOM 1320 N ALA A 85 9.092 5.084 -4.012 1.00 0.00 N ATOM 1321 CA ALA A 85 8.915 3.635 -4.013 1.00 0.00 C ATOM 1322 C ALA A 85 8.752 3.091 -5.436 1.00 0.00 C ATOM 1323 O ALA A 85 9.409 2.106 -5.797 1.00 0.00 O ATOM 1324 CB ALA A 85 7.714 3.258 -3.131 1.00 0.00 C ATOM 0 H ALA A 85 8.322 5.586 -3.569 1.00 0.00 H new ATOM 0 HA ALA A 85 9.812 3.176 -3.598 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.585 2.176 -3.135 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.890 3.599 -2.111 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.813 3.732 -3.521 1.00 0.00 H new ATOM 1330 N LYS A 86 7.887 3.739 -6.248 1.00 0.00 N ATOM 1331 CA LYS A 86 7.612 3.267 -7.615 1.00 0.00 C ATOM 1332 C LYS A 86 8.800 3.492 -8.541 1.00 0.00 C ATOM 1333 O LYS A 86 9.038 2.661 -9.380 1.00 0.00 O ATOM 1334 CB LYS A 86 6.333 3.897 -8.232 1.00 0.00 C ATOM 1335 CG LYS A 86 6.431 5.394 -8.584 1.00 0.00 C ATOM 1336 CD LYS A 86 5.182 5.933 -9.314 1.00 0.00 C ATOM 1337 CE LYS A 86 4.919 5.251 -10.671 1.00 0.00 C ATOM 1338 NZ LYS A 86 3.858 5.949 -11.442 1.00 0.00 N ATOM 0 H LYS A 86 7.375 4.580 -5.981 1.00 0.00 H new ATOM 0 HA LYS A 86 7.436 2.195 -7.521 1.00 0.00 H new ATOM 0 HB2 LYS A 86 6.078 3.345 -9.137 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.508 3.760 -7.532 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.583 5.966 -7.669 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.308 5.556 -9.211 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.310 5.798 -8.674 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.298 7.005 -9.472 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.840 5.233 -11.254 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.626 4.214 -10.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.495 5.317 -12.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.082 6.214 -10.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.254 6.805 -11.880 1.00 0.00 H new ATOM 1352 N LEU A 87 9.548 4.610 -8.387 1.00 0.00 N ATOM 1353 CA LEU A 87 10.632 4.955 -9.332 1.00 0.00 C ATOM 1354 C LEU A 87 11.799 3.967 -9.198 1.00 0.00 C ATOM 1355 O LEU A 87 12.385 3.553 -10.205 1.00 0.00 O ATOM 1356 CB LEU A 87 11.081 6.457 -9.198 1.00 0.00 C ATOM 1357 CG LEU A 87 11.942 6.895 -7.948 1.00 0.00 C ATOM 1358 CD1 LEU A 87 13.463 6.642 -8.148 1.00 0.00 C ATOM 1359 CD2 LEU A 87 11.698 8.380 -7.595 1.00 0.00 C ATOM 0 H LEU A 87 9.422 5.279 -7.628 1.00 0.00 H new ATOM 0 HA LEU A 87 10.242 4.858 -10.345 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.649 6.711 -10.093 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.180 7.071 -9.207 1.00 0.00 H new ATOM 0 HG LEU A 87 11.612 6.270 -7.118 1.00 0.00 H new ATOM 0 HD11 LEU A 87 14.005 6.962 -7.258 1.00 0.00 H new ATOM 0 HD12 LEU A 87 13.636 5.579 -8.316 1.00 0.00 H new ATOM 0 HD13 LEU A 87 13.816 7.208 -9.010 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.304 8.653 -6.731 1.00 0.00 H new ATOM 0 HD22 LEU A 87 11.974 9.006 -8.444 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.644 8.530 -7.361 1.00 0.00 H new ATOM 1371 N LYS A 88 12.129 3.577 -7.942 1.00 0.00 N ATOM 1372 CA LYS A 88 13.203 2.591 -7.687 1.00 0.00 C ATOM 1373 C LYS A 88 12.750 1.190 -8.144 1.00 0.00 C ATOM 1374 O LYS A 88 13.556 0.391 -8.634 1.00 0.00 O ATOM 1375 CB LYS A 88 13.647 2.626 -6.190 1.00 0.00 C ATOM 1376 CG LYS A 88 12.681 2.024 -5.130 1.00 0.00 C ATOM 1377 CD LYS A 88 12.899 0.510 -4.869 1.00 0.00 C ATOM 1378 CE LYS A 88 11.978 -0.029 -3.770 1.00 0.00 C ATOM 1379 NZ LYS A 88 10.544 0.214 -4.070 1.00 0.00 N ATOM 0 H LYS A 88 11.672 3.927 -7.100 1.00 0.00 H new ATOM 0 HA LYS A 88 14.083 2.855 -8.273 1.00 0.00 H new ATOM 0 HB2 LYS A 88 14.599 2.101 -6.111 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.833 3.666 -5.921 1.00 0.00 H new ATOM 0 HG2 LYS A 88 12.803 2.566 -4.192 1.00 0.00 H new ATOM 0 HG3 LYS A 88 11.654 2.182 -5.458 1.00 0.00 H new ATOM 0 HD2 LYS A 88 12.724 -0.044 -5.791 1.00 0.00 H new ATOM 0 HD3 LYS A 88 13.938 0.338 -4.586 1.00 0.00 H new ATOM 0 HE2 LYS A 88 12.146 -1.099 -3.650 1.00 0.00 H new ATOM 0 HE3 LYS A 88 12.234 0.442 -2.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.130 0.813 -3.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.458 0.694 -4.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.038 -0.694 -4.105 1.00 0.00 H new ATOM 1393 N ALA A 89 11.439 0.918 -7.972 1.00 0.00 N ATOM 1394 CA ALA A 89 10.800 -0.329 -8.404 1.00 0.00 C ATOM 1395 C ALA A 89 10.680 -0.404 -9.942 1.00 0.00 C ATOM 1396 O ALA A 89 10.685 -1.489 -10.500 1.00 0.00 O ATOM 1397 CB ALA A 89 9.428 -0.455 -7.728 1.00 0.00 C ATOM 0 H ALA A 89 10.794 1.569 -7.524 1.00 0.00 H new ATOM 0 HA ALA A 89 11.425 -1.169 -8.100 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.949 -1.381 -8.046 1.00 0.00 H new ATOM 0 HB2 ALA A 89 9.555 -0.466 -6.646 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.804 0.392 -8.011 1.00 0.00 H new