USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=16 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 10 TYR OH : rot 180:sc= -0.0398 USER MOD Set 1.2: A 14 GLN : amide:sc= -0.335 K(o=-1.2,f=-0.039) USER MOD Set 1.3: A 45 HIS : no HD1:sc= -0.849 K(o=-1.2,f=-0.039) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -1.25 X(o=-1.3,f=-1.7!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.607 K(o=-0.61,f=0.17) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -80:sc= 1.18 USER MOD Single : A 39 TYR OH : rot -148:sc= -0.0255 USER MOD Single : A 42 THR OG1 : rot 72:sc= 0.269 USER MOD Single : A 43 TYR OH : rot 29:sc= 0.091 USER MOD Single : A 44 TYR OH : rot 83:sc= 0.468 USER MOD Single : A 48 LYS NZ :NH3+ 150:sc= -0.177 (180deg=-1.24!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.156 USER MOD Single : A 62 THR OG1 : rot 75:sc= 0.808 USER MOD Single : A 63 TYR OH : rot -166:sc= -0.651 USER MOD Single : A 65 GLN : amide:sc= -0.43 X(o=-0.43,f=0) USER MOD Single : A 75 THR OG1 : rot -66:sc= 0.616 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) 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= -1.49 K(o=-1.5,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 149:sc= -1.57 (180deg=-2.72!) USER MOD ----------------------------------------------------------------- ATOM 71 N PRO A 6 -10.542 1.512 9.232 1.00 0.00 N ATOM 72 CA PRO A 6 -9.412 1.400 8.278 1.00 0.00 C ATOM 73 C PRO A 6 -8.034 1.184 8.937 1.00 0.00 C ATOM 74 O PRO A 6 -7.331 0.241 8.579 1.00 0.00 O ATOM 75 CB PRO A 6 -9.459 2.741 7.501 1.00 0.00 C ATOM 76 CG PRO A 6 -10.908 3.104 7.506 1.00 0.00 C ATOM 77 CD PRO A 6 -11.430 2.655 8.858 1.00 0.00 C ATOM 0 HA PRO A 6 -9.524 0.516 7.650 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.853 3.506 7.986 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.078 2.629 6.486 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.045 4.177 7.368 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.440 2.608 6.695 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -11.376 3.458 9.593 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.474 2.346 8.800 1.00 0.00 H new ATOM 85 N PHE A 7 -7.696 2.033 9.928 1.00 0.00 N ATOM 86 CA PHE A 7 -6.381 2.007 10.608 1.00 0.00 C ATOM 87 C PHE A 7 -6.160 0.707 11.413 1.00 0.00 C ATOM 88 O PHE A 7 -5.030 0.211 11.473 1.00 0.00 O ATOM 89 CB PHE A 7 -6.221 3.248 11.529 1.00 0.00 C ATOM 90 CG PHE A 7 -4.919 3.279 12.348 1.00 0.00 C ATOM 91 CD1 PHE A 7 -3.697 3.596 11.748 1.00 0.00 C ATOM 92 CD2 PHE A 7 -4.916 2.978 13.716 1.00 0.00 C ATOM 93 CE1 PHE A 7 -2.527 3.612 12.489 1.00 0.00 C ATOM 94 CE2 PHE A 7 -3.747 2.993 14.448 1.00 0.00 C ATOM 95 CZ PHE A 7 -2.550 3.312 13.838 1.00 0.00 C ATOM 0 H PHE A 7 -8.324 2.755 10.281 1.00 0.00 H new ATOM 0 HA PHE A 7 -5.618 2.037 9.830 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -6.269 4.147 10.915 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -7.067 3.285 12.216 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.665 3.831 10.694 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -5.846 2.730 14.206 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.591 3.860 12.010 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.768 2.755 15.501 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.636 3.327 14.413 1.00 0.00 H new ATOM 105 N THR A 8 -7.231 0.174 12.032 1.00 0.00 N ATOM 106 CA THR A 8 -7.133 -1.007 12.912 1.00 0.00 C ATOM 107 C THR A 8 -6.726 -2.269 12.110 1.00 0.00 C ATOM 108 O THR A 8 -5.766 -2.959 12.462 1.00 0.00 O ATOM 109 CB THR A 8 -8.476 -1.258 13.679 1.00 0.00 C ATOM 110 OG1 THR A 8 -8.966 -0.015 14.213 1.00 0.00 O ATOM 111 CG2 THR A 8 -8.298 -2.254 14.846 1.00 0.00 C ATOM 0 H THR A 8 -8.177 0.544 11.938 1.00 0.00 H new ATOM 0 HA THR A 8 -6.355 -0.802 13.647 1.00 0.00 H new ATOM 0 HB THR A 8 -9.183 -1.682 12.966 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.807 -0.173 14.691 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.254 -2.399 15.350 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.944 -3.209 14.458 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.571 -1.858 15.555 1.00 0.00 H new ATOM 119 N ARG A 9 -7.463 -2.535 11.014 1.00 0.00 N ATOM 120 CA ARG A 9 -7.226 -3.705 10.128 1.00 0.00 C ATOM 121 C ARG A 9 -5.972 -3.508 9.246 1.00 0.00 C ATOM 122 O ARG A 9 -5.357 -4.484 8.798 1.00 0.00 O ATOM 123 CB ARG A 9 -8.497 -4.012 9.297 1.00 0.00 C ATOM 124 CG ARG A 9 -9.012 -2.851 8.412 1.00 0.00 C ATOM 125 CD ARG A 9 -10.541 -2.880 8.203 1.00 0.00 C ATOM 126 NE ARG A 9 -11.017 -4.138 7.587 1.00 0.00 N ATOM 127 CZ ARG A 9 -11.788 -5.064 8.194 1.00 0.00 C ATOM 128 NH1 ARG A 9 -12.010 -5.018 9.490 1.00 0.00 N ATOM 129 NH2 ARG A 9 -12.290 -6.066 7.504 1.00 0.00 N ATOM 0 H ARG A 9 -8.241 -1.948 10.713 1.00 0.00 H new ATOM 0 HA ARG A 9 -7.021 -4.577 10.750 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.293 -4.870 8.657 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.294 -4.306 9.980 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -8.732 -1.902 8.869 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.518 -2.895 7.441 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -11.036 -2.743 9.164 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.832 -2.040 7.572 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.739 -4.321 6.623 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -11.597 -4.274 10.052 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.596 -5.726 9.933 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.097 -6.145 6.506 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.872 -6.763 7.968 1.00 0.00 H new ATOM 143 N TYR A 10 -5.633 -2.239 8.994 1.00 0.00 N ATOM 144 CA TYR A 10 -4.343 -1.833 8.386 1.00 0.00 C ATOM 145 C TYR A 10 -3.174 -2.296 9.265 1.00 0.00 C ATOM 146 O TYR A 10 -2.225 -2.917 8.780 1.00 0.00 O ATOM 147 CB TYR A 10 -4.337 -0.294 8.237 1.00 0.00 C ATOM 148 CG TYR A 10 -3.014 0.344 7.799 1.00 0.00 C ATOM 149 CD1 TYR A 10 -2.533 0.190 6.499 1.00 0.00 C ATOM 150 CD2 TYR A 10 -2.261 1.119 8.689 1.00 0.00 C ATOM 151 CE1 TYR A 10 -1.352 0.777 6.110 1.00 0.00 C ATOM 152 CE2 TYR A 10 -1.084 1.704 8.298 1.00 0.00 C ATOM 153 CZ TYR A 10 -0.636 1.531 7.009 1.00 0.00 C ATOM 154 OH TYR A 10 0.540 2.124 6.618 1.00 0.00 O ATOM 0 H TYR A 10 -6.246 -1.451 9.205 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.228 -2.297 7.406 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.105 -0.018 7.514 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.627 0.143 9.193 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.095 -0.398 5.789 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.613 1.258 9.700 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.988 0.646 5.102 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.513 2.296 8.997 1.00 0.00 H new ATOM 0 HH TYR A 10 0.922 2.621 7.371 1.00 0.00 H new ATOM 164 N ALA A 11 -3.287 -1.985 10.571 1.00 0.00 N ATOM 165 CA ALA A 11 -2.304 -2.375 11.594 1.00 0.00 C ATOM 166 C ALA A 11 -2.213 -3.908 11.703 1.00 0.00 C ATOM 167 O ALA A 11 -1.126 -4.460 11.841 1.00 0.00 O ATOM 168 CB ALA A 11 -2.681 -1.755 12.954 1.00 0.00 C ATOM 0 H ALA A 11 -4.071 -1.451 10.946 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.325 -1.998 11.298 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.947 -2.050 13.704 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.695 -0.669 12.867 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.668 -2.108 13.254 1.00 0.00 H new ATOM 174 N LEU A 12 -3.382 -4.567 11.570 1.00 0.00 N ATOM 175 CA LEU A 12 -3.514 -6.036 11.626 1.00 0.00 C ATOM 176 C LEU A 12 -2.754 -6.696 10.453 1.00 0.00 C ATOM 177 O LEU A 12 -2.111 -7.742 10.624 1.00 0.00 O ATOM 178 CB LEU A 12 -5.020 -6.427 11.580 1.00 0.00 C ATOM 179 CG LEU A 12 -5.359 -7.949 11.705 1.00 0.00 C ATOM 180 CD1 LEU A 12 -4.873 -8.531 13.045 1.00 0.00 C ATOM 181 CD2 LEU A 12 -6.869 -8.206 11.495 1.00 0.00 C ATOM 0 H LEU A 12 -4.270 -4.088 11.419 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.078 -6.394 12.559 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.533 -5.898 12.383 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.437 -6.062 10.641 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.821 -8.468 10.912 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.126 -9.590 13.095 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.792 -8.413 13.123 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.356 -8.003 13.867 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.073 -9.273 11.588 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.439 -7.661 12.247 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.161 -7.866 10.501 1.00 0.00 H new ATOM 193 N ALA A 13 -2.828 -6.049 9.276 1.00 0.00 N ATOM 194 CA ALA A 13 -2.147 -6.499 8.050 1.00 0.00 C ATOM 195 C ALA A 13 -0.619 -6.434 8.212 1.00 0.00 C ATOM 196 O ALA A 13 0.102 -7.372 7.844 1.00 0.00 O ATOM 197 CB ALA A 13 -2.602 -5.652 6.853 1.00 0.00 C ATOM 0 H ALA A 13 -3.367 -5.192 9.149 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.418 -7.539 7.867 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.093 -5.993 5.952 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.679 -5.756 6.722 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.358 -4.605 7.034 1.00 0.00 H new ATOM 203 N GLN A 14 -0.147 -5.320 8.794 1.00 0.00 N ATOM 204 CA GLN A 14 1.277 -5.098 9.102 1.00 0.00 C ATOM 205 C GLN A 14 1.837 -6.194 10.031 1.00 0.00 C ATOM 206 O GLN A 14 2.981 -6.629 9.866 1.00 0.00 O ATOM 207 CB GLN A 14 1.463 -3.693 9.726 1.00 0.00 C ATOM 208 CG GLN A 14 1.004 -2.542 8.814 1.00 0.00 C ATOM 209 CD GLN A 14 1.258 -1.149 9.392 1.00 0.00 C ATOM 210 OE1 GLN A 14 1.233 -0.939 10.606 1.00 0.00 O ATOM 211 NE2 GLN A 14 1.519 -0.190 8.522 1.00 0.00 N ATOM 0 H GLN A 14 -0.747 -4.541 9.067 1.00 0.00 H new ATOM 0 HA GLN A 14 1.842 -5.152 8.171 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.908 -3.645 10.663 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.515 -3.551 9.972 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.517 -2.625 7.856 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.062 -2.653 8.616 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.532 -0.397 7.523 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.708 0.758 8.849 1.00 0.00 H new ATOM 220 N GLU A 15 1.006 -6.651 10.981 1.00 0.00 N ATOM 221 CA GLU A 15 1.363 -7.754 11.897 1.00 0.00 C ATOM 222 C GLU A 15 1.462 -9.093 11.136 1.00 0.00 C ATOM 223 O GLU A 15 2.346 -9.904 11.409 1.00 0.00 O ATOM 224 CB GLU A 15 0.328 -7.853 13.043 1.00 0.00 C ATOM 225 CG GLU A 15 0.175 -6.552 13.852 1.00 0.00 C ATOM 226 CD GLU A 15 -0.827 -6.654 15.011 1.00 0.00 C ATOM 227 OE1 GLU A 15 -2.044 -6.800 14.751 1.00 0.00 O ATOM 228 OE2 GLU A 15 -0.407 -6.584 16.188 1.00 0.00 O ATOM 0 H GLU A 15 0.072 -6.271 11.138 1.00 0.00 H new ATOM 0 HA GLU A 15 2.341 -7.540 12.327 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.640 -8.126 12.624 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.621 -8.658 13.717 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.149 -6.267 14.251 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.141 -5.753 13.181 1.00 0.00 H new ATOM 235 N HIS A 16 0.555 -9.305 10.159 1.00 0.00 N ATOM 236 CA HIS A 16 0.551 -10.526 9.316 1.00 0.00 C ATOM 237 C HIS A 16 1.856 -10.664 8.504 1.00 0.00 C ATOM 238 O HIS A 16 2.281 -11.784 8.211 1.00 0.00 O ATOM 239 CB HIS A 16 -0.657 -10.546 8.350 1.00 0.00 C ATOM 240 CG HIS A 16 -2.009 -10.590 8.998 1.00 0.00 C ATOM 241 ND1 HIS A 16 -2.266 -11.269 10.164 1.00 0.00 N ATOM 242 CD2 HIS A 16 -3.179 -10.018 8.637 1.00 0.00 C ATOM 243 CE1 HIS A 16 -3.534 -11.137 10.475 1.00 0.00 C ATOM 244 NE2 HIS A 16 -4.106 -10.379 9.569 1.00 0.00 N ATOM 0 H HIS A 16 -0.188 -8.645 9.932 1.00 0.00 H new ATOM 0 HA HIS A 16 0.472 -11.371 9.999 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -0.607 -9.660 7.717 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -0.560 -11.412 7.695 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -3.348 -9.393 7.773 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.024 -11.577 11.331 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -5.088 -10.104 9.563 1.00 0.00 H new ATOM 253 N LEU A 17 2.476 -9.521 8.149 1.00 0.00 N ATOM 254 CA LEU A 17 3.747 -9.489 7.383 1.00 0.00 C ATOM 255 C LEU A 17 4.885 -10.235 8.118 1.00 0.00 C ATOM 256 O LEU A 17 5.546 -11.107 7.534 1.00 0.00 O ATOM 257 CB LEU A 17 4.167 -8.020 7.105 1.00 0.00 C ATOM 258 CG LEU A 17 3.174 -7.179 6.248 1.00 0.00 C ATOM 259 CD1 LEU A 17 3.668 -5.734 6.057 1.00 0.00 C ATOM 260 CD2 LEU A 17 2.917 -7.851 4.893 1.00 0.00 C ATOM 0 H LEU A 17 2.115 -8.596 8.382 1.00 0.00 H new ATOM 0 HA LEU A 17 3.572 -10.003 6.438 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.309 -7.516 8.061 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.134 -8.028 6.602 1.00 0.00 H new ATOM 0 HG LEU A 17 2.231 -7.133 6.793 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.948 -5.180 5.454 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.773 -5.254 7.030 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.634 -5.743 5.551 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.221 -7.245 4.313 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.857 -7.945 4.349 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.490 -8.841 5.053 1.00 0.00 H new ATOM 272 N LYS A 18 5.089 -9.897 9.410 1.00 0.00 N ATOM 273 CA LYS A 18 6.136 -10.531 10.244 1.00 0.00 C ATOM 274 C LYS A 18 5.724 -11.965 10.647 1.00 0.00 C ATOM 275 O LYS A 18 6.578 -12.816 10.893 1.00 0.00 O ATOM 276 CB LYS A 18 6.451 -9.666 11.497 1.00 0.00 C ATOM 277 CG LYS A 18 5.266 -9.460 12.471 1.00 0.00 C ATOM 278 CD LYS A 18 5.605 -8.542 13.672 1.00 0.00 C ATOM 279 CE LYS A 18 6.714 -9.104 14.580 1.00 0.00 C ATOM 280 NZ LYS A 18 7.017 -8.193 15.719 1.00 0.00 N ATOM 0 H LYS A 18 4.542 -9.188 9.899 1.00 0.00 H new ATOM 0 HA LYS A 18 7.047 -10.598 9.649 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.272 -10.131 12.043 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.802 -8.689 11.165 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.426 -9.033 11.923 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.941 -10.431 12.846 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.913 -7.566 13.297 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.704 -8.386 14.266 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.409 -10.077 14.965 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.618 -9.263 13.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.769 -8.609 16.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.333 -7.272 15.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.161 -8.061 16.295 1.00 0.00 H new ATOM 294 N HIS A 19 4.400 -12.218 10.684 1.00 0.00 N ATOM 295 CA HIS A 19 3.829 -13.552 10.974 1.00 0.00 C ATOM 296 C HIS A 19 3.745 -14.448 9.713 1.00 0.00 C ATOM 297 O HIS A 19 3.169 -15.538 9.784 1.00 0.00 O ATOM 298 CB HIS A 19 2.426 -13.400 11.632 1.00 0.00 C ATOM 299 CG HIS A 19 2.467 -13.051 13.101 1.00 0.00 C ATOM 300 ND1 HIS A 19 2.393 -14.005 14.096 1.00 0.00 N ATOM 301 CD2 HIS A 19 2.546 -11.860 13.741 1.00 0.00 C ATOM 302 CE1 HIS A 19 2.433 -13.416 15.274 1.00 0.00 C ATOM 303 NE2 HIS A 19 2.524 -12.118 15.083 1.00 0.00 N ATOM 0 H HIS A 19 3.694 -11.502 10.513 1.00 0.00 H new ATOM 0 HA HIS A 19 4.504 -14.051 11.670 1.00 0.00 H new ATOM 0 HB2 HIS A 19 1.870 -12.627 11.102 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.875 -14.332 11.506 1.00 0.00 H new ATOM 0 HD2 HIS A 19 2.614 -10.887 13.277 1.00 0.00 H new ATOM 0 HE1 HIS A 19 2.397 -13.914 16.232 1.00 0.00 H new ATOM 0 HE2 HIS A 19 2.571 -11.415 15.820 1.00 0.00 H new ATOM 312 N ASP A 20 4.294 -13.958 8.574 1.00 0.00 N ATOM 313 CA ASP A 20 4.432 -14.723 7.299 1.00 0.00 C ATOM 314 C ASP A 20 3.061 -14.964 6.591 1.00 0.00 C ATOM 315 O ASP A 20 2.987 -15.627 5.552 1.00 0.00 O ATOM 316 CB ASP A 20 5.219 -16.059 7.541 1.00 0.00 C ATOM 317 CG ASP A 20 5.591 -16.831 6.258 1.00 0.00 C ATOM 318 OD1 ASP A 20 6.392 -16.306 5.456 1.00 0.00 O ATOM 319 OD2 ASP A 20 5.100 -17.966 6.046 1.00 0.00 O ATOM 0 H ASP A 20 4.660 -13.008 8.509 1.00 0.00 H new ATOM 0 HA ASP A 20 5.014 -14.111 6.610 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.133 -15.832 8.090 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.618 -16.708 8.178 1.00 0.00 H new ATOM 324 N ASN A 21 1.981 -14.377 7.141 1.00 0.00 N ATOM 325 CA ASN A 21 0.625 -14.407 6.544 1.00 0.00 C ATOM 326 C ASN A 21 0.458 -13.213 5.576 1.00 0.00 C ATOM 327 O ASN A 21 -0.516 -12.452 5.654 1.00 0.00 O ATOM 328 CB ASN A 21 -0.452 -14.394 7.670 1.00 0.00 C ATOM 329 CG ASN A 21 -0.453 -15.667 8.527 1.00 0.00 C ATOM 330 OD1 ASN A 21 0.254 -15.760 9.531 1.00 0.00 O ATOM 331 ND2 ASN A 21 -1.241 -16.660 8.132 1.00 0.00 N ATOM 0 H ASN A 21 2.022 -13.863 8.021 1.00 0.00 H new ATOM 0 HA ASN A 21 0.492 -15.325 5.972 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.283 -13.531 8.314 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.436 -14.267 7.220 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.272 -17.529 8.665 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.815 -16.554 7.296 1.00 0.00 H new ATOM 338 N ALA A 22 1.421 -13.096 4.639 1.00 0.00 N ATOM 339 CA ALA A 22 1.476 -12.035 3.620 1.00 0.00 C ATOM 340 C ALA A 22 0.202 -12.003 2.748 1.00 0.00 C ATOM 341 O ALA A 22 -0.238 -10.938 2.344 1.00 0.00 O ATOM 342 CB ALA A 22 2.718 -12.241 2.738 1.00 0.00 C ATOM 0 H ALA A 22 2.198 -13.753 4.571 1.00 0.00 H new ATOM 0 HA ALA A 22 1.539 -11.076 4.133 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.762 -11.457 1.982 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.615 -12.199 3.357 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.660 -13.213 2.249 1.00 0.00 H new ATOM 348 N SER A 23 -0.351 -13.199 2.467 1.00 0.00 N ATOM 349 CA SER A 23 -1.623 -13.385 1.739 1.00 0.00 C ATOM 350 C SER A 23 -2.804 -12.655 2.424 1.00 0.00 C ATOM 351 O SER A 23 -3.598 -11.976 1.757 1.00 0.00 O ATOM 352 CB SER A 23 -1.933 -14.893 1.626 1.00 0.00 C ATOM 353 OG SER A 23 -0.847 -15.604 1.055 1.00 0.00 O ATOM 0 H SER A 23 0.082 -14.080 2.745 1.00 0.00 H new ATOM 0 HA SER A 23 -1.505 -12.948 0.747 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.154 -15.296 2.615 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.825 -15.038 1.017 1.00 0.00 H new ATOM 0 HG SER A 23 -1.073 -16.556 0.998 1.00 0.00 H new ATOM 359 N ARG A 24 -2.902 -12.796 3.766 1.00 0.00 N ATOM 360 CA ARG A 24 -3.978 -12.183 4.578 1.00 0.00 C ATOM 361 C ARG A 24 -3.746 -10.677 4.759 1.00 0.00 C ATOM 362 O ARG A 24 -4.700 -9.897 4.826 1.00 0.00 O ATOM 363 CB ARG A 24 -4.055 -12.880 5.963 1.00 0.00 C ATOM 364 CG ARG A 24 -4.477 -14.364 5.897 1.00 0.00 C ATOM 365 CD ARG A 24 -5.917 -14.531 5.388 1.00 0.00 C ATOM 366 NE ARG A 24 -6.304 -15.952 5.261 1.00 0.00 N ATOM 367 CZ ARG A 24 -7.509 -16.397 4.865 1.00 0.00 C ATOM 368 NH1 ARG A 24 -8.473 -15.551 4.528 1.00 0.00 N ATOM 369 NH2 ARG A 24 -7.744 -17.697 4.795 1.00 0.00 N ATOM 0 H ARG A 24 -2.237 -13.339 4.317 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.923 -12.318 4.051 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.081 -12.811 6.448 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.763 -12.339 6.592 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.796 -14.906 5.241 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.389 -14.810 6.887 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.602 -14.029 6.071 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.017 -14.041 4.419 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.599 -16.652 5.493 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.306 -14.546 4.567 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.382 -15.906 4.230 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.011 -18.362 5.042 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.658 -18.035 4.495 1.00 0.00 H new ATOM 383 N ALA A 25 -2.459 -10.291 4.841 1.00 0.00 N ATOM 384 CA ALA A 25 -2.032 -8.881 4.871 1.00 0.00 C ATOM 385 C ALA A 25 -2.419 -8.186 3.564 1.00 0.00 C ATOM 386 O ALA A 25 -2.931 -7.063 3.570 1.00 0.00 O ATOM 387 CB ALA A 25 -0.515 -8.796 5.081 1.00 0.00 C ATOM 0 H ALA A 25 -1.683 -10.952 4.888 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.533 -8.379 5.699 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.209 -7.750 5.102 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.251 -9.270 6.026 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.005 -9.307 4.264 1.00 0.00 H new ATOM 393 N LEU A 26 -2.217 -8.927 2.461 1.00 0.00 N ATOM 394 CA LEU A 26 -2.465 -8.464 1.092 1.00 0.00 C ATOM 395 C LEU A 26 -3.956 -8.165 0.932 1.00 0.00 C ATOM 396 O LEU A 26 -4.332 -7.081 0.512 1.00 0.00 O ATOM 397 CB LEU A 26 -2.016 -9.557 0.075 1.00 0.00 C ATOM 398 CG LEU A 26 -1.993 -9.146 -1.424 1.00 0.00 C ATOM 399 CD1 LEU A 26 -0.886 -8.111 -1.702 1.00 0.00 C ATOM 400 CD2 LEU A 26 -1.850 -10.383 -2.340 1.00 0.00 C ATOM 0 H LEU A 26 -1.869 -9.885 2.501 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.893 -7.557 0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.016 -9.890 0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.679 -10.415 0.183 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.949 -8.675 -1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.895 -7.843 -2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.062 -7.219 -1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.084 -8.537 -1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.837 -10.064 -3.382 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.920 -10.902 -2.108 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.692 -11.056 -2.177 1.00 0.00 H new ATOM 412 N ALA A 27 -4.770 -9.146 1.354 1.00 0.00 N ATOM 413 CA ALA A 27 -6.238 -9.087 1.313 1.00 0.00 C ATOM 414 C ALA A 27 -6.803 -7.885 2.101 1.00 0.00 C ATOM 415 O ALA A 27 -7.695 -7.194 1.607 1.00 0.00 O ATOM 416 CB ALA A 27 -6.814 -10.407 1.845 1.00 0.00 C ATOM 0 H ALA A 27 -4.417 -10.021 1.741 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.540 -8.944 0.276 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.903 -10.367 1.816 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.465 -11.233 1.225 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.484 -10.560 2.872 1.00 0.00 H new ATOM 422 N LEU A 28 -6.272 -7.649 3.323 1.00 0.00 N ATOM 423 CA LEU A 28 -6.680 -6.509 4.179 1.00 0.00 C ATOM 424 C LEU A 28 -6.361 -5.155 3.522 1.00 0.00 C ATOM 425 O LEU A 28 -7.195 -4.245 3.546 1.00 0.00 O ATOM 426 CB LEU A 28 -6.008 -6.589 5.578 1.00 0.00 C ATOM 427 CG LEU A 28 -6.561 -7.677 6.548 1.00 0.00 C ATOM 428 CD1 LEU A 28 -5.755 -7.697 7.861 1.00 0.00 C ATOM 429 CD2 LEU A 28 -8.068 -7.463 6.825 1.00 0.00 C ATOM 0 H LEU A 28 -5.553 -8.239 3.742 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.761 -6.580 4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.942 -6.767 5.436 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.107 -5.617 6.061 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.448 -8.648 6.066 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.158 -8.463 8.523 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.710 -7.918 7.643 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.826 -6.724 8.347 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.426 -8.236 7.504 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.219 -6.483 7.278 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.622 -7.518 5.888 1.00 0.00 H new ATOM 441 N PHE A 29 -5.152 -5.033 2.945 1.00 0.00 N ATOM 442 CA PHE A 29 -4.729 -3.812 2.247 1.00 0.00 C ATOM 443 C PHE A 29 -5.619 -3.561 0.995 1.00 0.00 C ATOM 444 O PHE A 29 -6.132 -2.459 0.799 1.00 0.00 O ATOM 445 CB PHE A 29 -3.237 -3.891 1.828 1.00 0.00 C ATOM 446 CG PHE A 29 -2.181 -3.822 2.945 1.00 0.00 C ATOM 447 CD1 PHE A 29 -2.251 -2.856 3.951 1.00 0.00 C ATOM 448 CD2 PHE A 29 -1.080 -4.691 2.950 1.00 0.00 C ATOM 449 CE1 PHE A 29 -1.270 -2.774 4.929 1.00 0.00 C ATOM 450 CE2 PHE A 29 -0.106 -4.610 3.933 1.00 0.00 C ATOM 451 CZ PHE A 29 -0.200 -3.649 4.919 1.00 0.00 C ATOM 0 H PHE A 29 -4.449 -5.772 2.950 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.847 -2.979 2.940 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.090 -4.823 1.283 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.041 -3.078 1.129 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.080 -2.164 3.968 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.989 -5.437 2.174 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.343 -2.023 5.702 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.726 -5.299 3.927 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.561 -3.581 5.682 1.00 0.00 H new ATOM 461 N GLU A 30 -5.817 -4.610 0.174 1.00 0.00 N ATOM 462 CA GLU A 30 -6.653 -4.545 -1.048 1.00 0.00 C ATOM 463 C GLU A 30 -8.096 -4.149 -0.709 1.00 0.00 C ATOM 464 O GLU A 30 -8.721 -3.376 -1.439 1.00 0.00 O ATOM 465 CB GLU A 30 -6.650 -5.907 -1.776 1.00 0.00 C ATOM 466 CG GLU A 30 -5.297 -6.323 -2.373 1.00 0.00 C ATOM 467 CD GLU A 30 -5.378 -7.677 -3.088 1.00 0.00 C ATOM 468 OE1 GLU A 30 -5.195 -8.725 -2.437 1.00 0.00 O ATOM 469 OE2 GLU A 30 -5.670 -7.702 -4.305 1.00 0.00 O ATOM 0 H GLU A 30 -5.403 -5.528 0.336 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.226 -3.784 -1.702 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.973 -6.677 -1.075 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.389 -5.875 -2.577 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.961 -5.561 -3.076 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.551 -6.376 -1.580 1.00 0.00 H new ATOM 476 N GLU A 31 -8.584 -4.675 0.423 1.00 0.00 N ATOM 477 CA GLU A 31 -9.923 -4.395 0.943 1.00 0.00 C ATOM 478 C GLU A 31 -10.064 -2.900 1.265 1.00 0.00 C ATOM 479 O GLU A 31 -11.049 -2.274 0.886 1.00 0.00 O ATOM 480 CB GLU A 31 -10.165 -5.247 2.211 1.00 0.00 C ATOM 481 CG GLU A 31 -11.445 -4.929 3.011 1.00 0.00 C ATOM 482 CD GLU A 31 -11.573 -5.800 4.269 1.00 0.00 C ATOM 483 OE1 GLU A 31 -10.657 -5.766 5.117 1.00 0.00 O ATOM 484 OE2 GLU A 31 -12.576 -6.530 4.422 1.00 0.00 O ATOM 0 H GLU A 31 -8.049 -5.316 1.009 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.668 -4.653 0.190 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.196 -6.296 1.918 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.308 -5.126 2.874 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.440 -3.877 3.298 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.317 -5.082 2.375 1.00 0.00 H new ATOM 491 N LEU A 32 -9.043 -2.347 1.944 1.00 0.00 N ATOM 492 CA LEU A 32 -8.998 -0.925 2.326 1.00 0.00 C ATOM 493 C LEU A 32 -9.066 -0.006 1.103 1.00 0.00 C ATOM 494 O LEU A 32 -9.752 1.000 1.144 1.00 0.00 O ATOM 495 CB LEU A 32 -7.722 -0.626 3.154 1.00 0.00 C ATOM 496 CG LEU A 32 -7.701 -1.241 4.579 1.00 0.00 C ATOM 497 CD1 LEU A 32 -6.354 -0.992 5.286 1.00 0.00 C ATOM 498 CD2 LEU A 32 -8.889 -0.713 5.407 1.00 0.00 C ATOM 0 H LEU A 32 -8.224 -2.876 2.244 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.875 -0.723 2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.856 -0.994 2.604 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.609 0.455 3.240 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.808 -2.322 4.486 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.377 -1.437 6.281 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.549 -1.443 4.705 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.181 0.081 5.373 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.862 -1.153 6.404 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.823 0.372 5.487 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.824 -0.984 4.916 1.00 0.00 H new ATOM 510 N VAL A 33 -8.359 -0.383 0.022 1.00 0.00 N ATOM 511 CA VAL A 33 -8.357 0.374 -1.243 1.00 0.00 C ATOM 512 C VAL A 33 -9.764 0.373 -1.892 1.00 0.00 C ATOM 513 O VAL A 33 -10.329 1.440 -2.159 1.00 0.00 O ATOM 514 CB VAL A 33 -7.284 -0.206 -2.252 1.00 0.00 C ATOM 515 CG1 VAL A 33 -7.338 0.501 -3.630 1.00 0.00 C ATOM 516 CG2 VAL A 33 -5.858 -0.124 -1.652 1.00 0.00 C ATOM 0 H VAL A 33 -7.775 -1.219 0.001 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.086 1.404 -1.011 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.533 -1.255 -2.414 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.585 0.071 -4.290 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.326 0.365 -4.070 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.142 1.565 -3.501 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.140 -0.529 -2.365 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.612 0.916 -1.440 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.818 -0.702 -0.729 1.00 0.00 H new ATOM 526 N GLU A 34 -10.321 -0.830 -2.115 1.00 0.00 N ATOM 527 CA GLU A 34 -11.597 -1.007 -2.843 1.00 0.00 C ATOM 528 C GLU A 34 -12.821 -0.455 -2.075 1.00 0.00 C ATOM 529 O GLU A 34 -13.824 -0.092 -2.704 1.00 0.00 O ATOM 530 CB GLU A 34 -11.812 -2.497 -3.204 1.00 0.00 C ATOM 531 CG GLU A 34 -11.986 -3.432 -1.997 1.00 0.00 C ATOM 532 CD GLU A 34 -12.076 -4.911 -2.384 1.00 0.00 C ATOM 533 OE1 GLU A 34 -11.020 -5.523 -2.673 1.00 0.00 O ATOM 534 OE2 GLU A 34 -13.197 -5.464 -2.415 1.00 0.00 O ATOM 0 H GLU A 34 -9.904 -1.706 -1.799 1.00 0.00 H new ATOM 0 HA GLU A 34 -11.515 -0.419 -3.757 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.694 -2.579 -3.840 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.961 -2.840 -3.793 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.148 -3.293 -1.315 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.889 -3.150 -1.455 1.00 0.00 H new ATOM 541 N THR A 35 -12.755 -0.411 -0.730 1.00 0.00 N ATOM 542 CA THR A 35 -13.855 0.117 0.106 1.00 0.00 C ATOM 543 C THR A 35 -13.657 1.619 0.390 1.00 0.00 C ATOM 544 O THR A 35 -14.633 2.383 0.451 1.00 0.00 O ATOM 545 CB THR A 35 -13.975 -0.662 1.465 1.00 0.00 C ATOM 546 OG1 THR A 35 -12.748 -0.549 2.214 1.00 0.00 O ATOM 547 CG2 THR A 35 -14.314 -2.149 1.245 1.00 0.00 C ATOM 0 H THR A 35 -11.949 -0.736 -0.196 1.00 0.00 H new ATOM 0 HA THR A 35 -14.778 -0.024 -0.456 1.00 0.00 H new ATOM 0 HB THR A 35 -14.792 -0.211 2.029 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.093 -1.191 1.868 1.00 0.00 H new ATOM 0 HG21 THR A 35 -14.388 -2.652 2.209 1.00 0.00 H new ATOM 0 HG22 THR A 35 -15.265 -2.231 0.719 1.00 0.00 H new ATOM 0 HG23 THR A 35 -13.529 -2.617 0.651 1.00 0.00 H new ATOM 555 N ASP A 36 -12.385 2.032 0.543 1.00 0.00 N ATOM 556 CA ASP A 36 -12.009 3.411 0.914 1.00 0.00 C ATOM 557 C ASP A 36 -10.728 3.826 0.147 1.00 0.00 C ATOM 558 O ASP A 36 -9.606 3.661 0.651 1.00 0.00 O ATOM 559 CB ASP A 36 -11.800 3.515 2.452 1.00 0.00 C ATOM 560 CG ASP A 36 -11.629 4.962 2.941 1.00 0.00 C ATOM 561 OD1 ASP A 36 -12.652 5.627 3.210 1.00 0.00 O ATOM 562 OD2 ASP A 36 -10.491 5.445 3.056 1.00 0.00 O ATOM 0 H ASP A 36 -11.583 1.415 0.412 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.813 4.093 0.638 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.653 3.065 2.960 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.920 2.937 2.733 1.00 0.00 H new ATOM 567 N PRO A 37 -10.875 4.355 -1.111 1.00 0.00 N ATOM 568 CA PRO A 37 -9.723 4.799 -1.942 1.00 0.00 C ATOM 569 C PRO A 37 -8.972 6.003 -1.340 1.00 0.00 C ATOM 570 O PRO A 37 -7.873 6.337 -1.783 1.00 0.00 O ATOM 571 CB PRO A 37 -10.381 5.160 -3.303 1.00 0.00 C ATOM 572 CG PRO A 37 -11.802 5.479 -2.958 1.00 0.00 C ATOM 573 CD PRO A 37 -12.163 4.537 -1.835 1.00 0.00 C ATOM 0 HA PRO A 37 -8.957 4.028 -2.021 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.885 6.011 -3.770 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.320 4.330 -4.006 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.907 6.519 -2.648 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.457 5.335 -3.817 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.932 4.959 -1.188 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.549 3.590 -2.213 1.00 0.00 H new ATOM 581 N ASP A 38 -9.584 6.648 -0.335 1.00 0.00 N ATOM 582 CA ASP A 38 -9.009 7.794 0.380 1.00 0.00 C ATOM 583 C ASP A 38 -7.765 7.396 1.199 1.00 0.00 C ATOM 584 O ASP A 38 -6.797 8.163 1.255 1.00 0.00 O ATOM 585 CB ASP A 38 -10.098 8.404 1.301 1.00 0.00 C ATOM 586 CG ASP A 38 -9.604 9.554 2.198 1.00 0.00 C ATOM 587 OD1 ASP A 38 -9.500 10.688 1.715 1.00 0.00 O ATOM 588 OD2 ASP A 38 -9.321 9.329 3.400 1.00 0.00 O ATOM 0 H ASP A 38 -10.507 6.382 0.008 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.681 8.533 -0.351 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.917 8.769 0.681 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -10.504 7.615 1.934 1.00 0.00 H new ATOM 593 N TYR A 39 -7.805 6.200 1.830 1.00 0.00 N ATOM 594 CA TYR A 39 -6.761 5.756 2.776 1.00 0.00 C ATOM 595 C TYR A 39 -5.412 5.510 2.052 1.00 0.00 C ATOM 596 O TYR A 39 -5.141 4.415 1.543 1.00 0.00 O ATOM 597 CB TYR A 39 -7.242 4.506 3.588 1.00 0.00 C ATOM 598 CG TYR A 39 -6.508 4.302 4.927 1.00 0.00 C ATOM 599 CD1 TYR A 39 -6.174 5.396 5.728 1.00 0.00 C ATOM 600 CD2 TYR A 39 -6.157 3.038 5.393 1.00 0.00 C ATOM 601 CE1 TYR A 39 -5.514 5.239 6.924 1.00 0.00 C ATOM 602 CE2 TYR A 39 -5.497 2.874 6.594 1.00 0.00 C ATOM 603 CZ TYR A 39 -5.176 3.979 7.354 1.00 0.00 C ATOM 604 OH TYR A 39 -4.509 3.827 8.550 1.00 0.00 O ATOM 0 H TYR A 39 -8.556 5.522 1.698 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.585 6.557 3.495 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -8.310 4.602 3.783 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -7.109 3.615 2.974 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -6.441 6.390 5.400 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.406 2.168 4.803 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.263 6.102 7.522 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.233 1.885 6.937 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.911 3.053 8.495 1.00 0.00 H new ATOM 614 N VAL A 40 -4.589 6.579 2.024 1.00 0.00 N ATOM 615 CA VAL A 40 -3.305 6.644 1.293 1.00 0.00 C ATOM 616 C VAL A 40 -2.261 5.684 1.895 1.00 0.00 C ATOM 617 O VAL A 40 -1.474 5.064 1.162 1.00 0.00 O ATOM 618 CB VAL A 40 -2.717 8.109 1.318 1.00 0.00 C ATOM 619 CG1 VAL A 40 -1.404 8.203 0.512 1.00 0.00 C ATOM 620 CG2 VAL A 40 -3.741 9.150 0.814 1.00 0.00 C ATOM 0 H VAL A 40 -4.804 7.443 2.522 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.512 6.346 0.265 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.494 8.342 2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.026 9.225 0.550 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.665 7.527 0.941 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.593 7.924 -0.525 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.296 10.144 0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.025 8.914 -0.212 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.626 9.127 1.450 1.00 0.00 H new ATOM 630 N GLY A 41 -2.292 5.561 3.238 1.00 0.00 N ATOM 631 CA GLY A 41 -1.321 4.762 3.994 1.00 0.00 C ATOM 632 C GLY A 41 -1.301 3.300 3.580 1.00 0.00 C ATOM 633 O GLY A 41 -0.259 2.635 3.668 1.00 0.00 O ATOM 0 H GLY A 41 -2.993 6.015 3.824 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.326 5.186 3.858 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.553 4.829 5.057 1.00 0.00 H new ATOM 637 N THR A 42 -2.469 2.815 3.128 1.00 0.00 N ATOM 638 CA THR A 42 -2.624 1.479 2.567 1.00 0.00 C ATOM 639 C THR A 42 -1.726 1.282 1.336 1.00 0.00 C ATOM 640 O THR A 42 -0.923 0.364 1.323 1.00 0.00 O ATOM 641 CB THR A 42 -4.101 1.225 2.157 1.00 0.00 C ATOM 642 OG1 THR A 42 -4.948 1.409 3.283 1.00 0.00 O ATOM 643 CG2 THR A 42 -4.296 -0.184 1.606 1.00 0.00 C ATOM 0 H THR A 42 -3.336 3.351 3.146 1.00 0.00 H new ATOM 0 HA THR A 42 -2.329 0.769 3.340 1.00 0.00 H new ATOM 0 HB THR A 42 -4.357 1.937 1.372 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.005 2.364 3.497 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.341 -0.325 1.330 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.667 -0.321 0.727 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.020 -0.914 2.367 1.00 0.00 H new ATOM 651 N TYR A 43 -1.859 2.195 0.349 1.00 0.00 N ATOM 652 CA TYR A 43 -1.268 2.049 -0.998 1.00 0.00 C ATOM 653 C TYR A 43 0.247 1.783 -0.955 1.00 0.00 C ATOM 654 O TYR A 43 0.745 0.884 -1.642 1.00 0.00 O ATOM 655 CB TYR A 43 -1.550 3.311 -1.853 1.00 0.00 C ATOM 656 CG TYR A 43 -3.018 3.482 -2.282 1.00 0.00 C ATOM 657 CD1 TYR A 43 -3.937 4.159 -1.481 1.00 0.00 C ATOM 658 CD2 TYR A 43 -3.470 2.977 -3.505 1.00 0.00 C ATOM 659 CE1 TYR A 43 -5.247 4.321 -1.882 1.00 0.00 C ATOM 660 CE2 TYR A 43 -4.773 3.146 -3.905 1.00 0.00 C ATOM 661 CZ TYR A 43 -5.654 3.817 -3.097 1.00 0.00 C ATOM 662 OH TYR A 43 -6.952 3.992 -3.513 1.00 0.00 O ATOM 0 H TYR A 43 -2.384 3.061 0.467 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.741 1.179 -1.454 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.246 4.192 -1.287 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.926 3.275 -2.746 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.618 4.563 -0.532 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.783 2.445 -4.146 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -5.949 4.840 -1.247 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.103 2.751 -4.854 1.00 0.00 H new ATOM 0 HH TYR A 43 -7.310 4.819 -3.127 1.00 0.00 H new ATOM 672 N TYR A 44 0.960 2.592 -0.159 1.00 0.00 N ATOM 673 CA TYR A 44 2.411 2.461 0.026 1.00 0.00 C ATOM 674 C TYR A 44 2.800 1.068 0.554 1.00 0.00 C ATOM 675 O TYR A 44 3.528 0.335 -0.105 1.00 0.00 O ATOM 676 CB TYR A 44 2.919 3.572 0.977 1.00 0.00 C ATOM 677 CG TYR A 44 4.453 3.659 1.078 1.00 0.00 C ATOM 678 CD1 TYR A 44 5.207 4.249 0.064 1.00 0.00 C ATOM 679 CD2 TYR A 44 5.142 3.150 2.184 1.00 0.00 C ATOM 680 CE1 TYR A 44 6.578 4.331 0.156 1.00 0.00 C ATOM 681 CE2 TYR A 44 6.509 3.240 2.275 1.00 0.00 C ATOM 682 CZ TYR A 44 7.220 3.829 1.263 1.00 0.00 C ATOM 683 OH TYR A 44 8.586 3.932 1.364 1.00 0.00 O ATOM 0 H TYR A 44 0.546 3.356 0.375 1.00 0.00 H new ATOM 0 HA TYR A 44 2.888 2.576 -0.947 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.533 4.532 0.636 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.509 3.399 1.972 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.708 4.648 -0.807 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.588 2.677 2.981 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.148 4.788 -0.639 1.00 0.00 H new ATOM 0 HE2 TYR A 44 7.022 2.848 3.141 1.00 0.00 H new ATOM 0 HH TYR A 44 8.823 4.818 1.710 1.00 0.00 H new ATOM 693 N HIS A 45 2.254 0.716 1.724 1.00 0.00 N ATOM 694 CA HIS A 45 2.600 -0.528 2.456 1.00 0.00 C ATOM 695 C HIS A 45 2.107 -1.794 1.714 1.00 0.00 C ATOM 696 O HIS A 45 2.701 -2.870 1.840 1.00 0.00 O ATOM 697 CB HIS A 45 2.076 -0.454 3.917 1.00 0.00 C ATOM 698 CG HIS A 45 2.733 0.648 4.722 1.00 0.00 C ATOM 699 ND1 HIS A 45 3.476 0.427 5.859 1.00 0.00 N ATOM 700 CD2 HIS A 45 2.754 1.988 4.531 1.00 0.00 C ATOM 701 CE1 HIS A 45 3.917 1.577 6.325 1.00 0.00 C ATOM 702 NE2 HIS A 45 3.495 2.542 5.536 1.00 0.00 N ATOM 0 H HIS A 45 1.554 1.284 2.200 1.00 0.00 H new ATOM 0 HA HIS A 45 3.686 -0.611 2.495 1.00 0.00 H new ATOM 0 HB2 HIS A 45 0.998 -0.294 3.904 1.00 0.00 H new ATOM 0 HB3 HIS A 45 2.250 -1.411 4.409 1.00 0.00 H new ATOM 0 HD2 HIS A 45 2.271 2.524 3.727 1.00 0.00 H new ATOM 0 HE1 HIS A 45 4.524 1.707 7.208 1.00 0.00 H new ATOM 0 HE2 HIS A 45 3.689 3.536 5.655 1.00 0.00 H new ATOM 711 N LEU A 46 1.032 -1.634 0.935 1.00 0.00 N ATOM 712 CA LEU A 46 0.511 -2.673 0.024 1.00 0.00 C ATOM 713 C LEU A 46 1.504 -2.900 -1.127 1.00 0.00 C ATOM 714 O LEU A 46 1.766 -4.044 -1.509 1.00 0.00 O ATOM 715 CB LEU A 46 -0.895 -2.251 -0.506 1.00 0.00 C ATOM 716 CG LEU A 46 -1.560 -3.152 -1.603 1.00 0.00 C ATOM 717 CD1 LEU A 46 -1.594 -4.644 -1.207 1.00 0.00 C ATOM 718 CD2 LEU A 46 -2.980 -2.650 -1.948 1.00 0.00 C ATOM 0 H LEU A 46 0.489 -0.771 0.915 1.00 0.00 H new ATOM 0 HA LEU A 46 0.399 -3.615 0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.574 -2.203 0.345 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.813 -1.240 -0.906 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.934 -3.071 -2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.065 -5.221 -2.003 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.576 -5.003 -1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.165 -4.763 -0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.418 -3.293 -2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.602 -2.674 -1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.924 -1.628 -2.323 1.00 0.00 H new ATOM 730 N GLY A 47 2.069 -1.791 -1.644 1.00 0.00 N ATOM 731 CA GLY A 47 3.058 -1.837 -2.716 1.00 0.00 C ATOM 732 C GLY A 47 4.385 -2.424 -2.247 1.00 0.00 C ATOM 733 O GLY A 47 5.061 -3.131 -3.000 1.00 0.00 O ATOM 0 H GLY A 47 1.848 -0.847 -1.326 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.670 -2.434 -3.542 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.223 -0.830 -3.100 1.00 0.00 H new ATOM 737 N LYS A 48 4.750 -2.121 -0.987 1.00 0.00 N ATOM 738 CA LYS A 48 5.971 -2.647 -0.350 1.00 0.00 C ATOM 739 C LYS A 48 5.870 -4.178 -0.232 1.00 0.00 C ATOM 740 O LYS A 48 6.847 -4.901 -0.451 1.00 0.00 O ATOM 741 CB LYS A 48 6.182 -2.022 1.062 1.00 0.00 C ATOM 742 CG LYS A 48 6.375 -0.489 1.124 1.00 0.00 C ATOM 743 CD LYS A 48 7.600 0.051 0.339 1.00 0.00 C ATOM 744 CE LYS A 48 8.966 -0.491 0.822 1.00 0.00 C ATOM 745 NZ LYS A 48 9.275 -1.857 0.315 1.00 0.00 N ATOM 0 H LYS A 48 4.207 -1.505 -0.383 1.00 0.00 H new ATOM 0 HA LYS A 48 6.826 -2.380 -0.971 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.323 -2.281 1.680 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.054 -2.493 1.515 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.475 -0.009 0.739 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.472 -0.192 2.168 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.478 -0.198 -0.715 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.610 1.139 0.411 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.753 0.193 0.503 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.978 -0.505 1.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.305 -1.966 0.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.913 -2.566 0.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.823 -1.994 -0.612 1.00 0.00 H new ATOM 759 N LEU A 49 4.662 -4.639 0.135 1.00 0.00 N ATOM 760 CA LEU A 49 4.338 -6.067 0.235 1.00 0.00 C ATOM 761 C LEU A 49 4.398 -6.733 -1.154 1.00 0.00 C ATOM 762 O LEU A 49 4.899 -7.850 -1.283 1.00 0.00 O ATOM 763 CB LEU A 49 2.946 -6.252 0.896 1.00 0.00 C ATOM 764 CG LEU A 49 2.356 -7.702 0.905 1.00 0.00 C ATOM 765 CD1 LEU A 49 3.348 -8.736 1.491 1.00 0.00 C ATOM 766 CD2 LEU A 49 1.004 -7.736 1.647 1.00 0.00 C ATOM 0 H LEU A 49 3.881 -4.026 0.371 1.00 0.00 H new ATOM 0 HA LEU A 49 5.079 -6.557 0.867 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.011 -5.905 1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.238 -5.600 0.385 1.00 0.00 H new ATOM 0 HG LEU A 49 2.184 -7.989 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.893 -9.726 1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.259 -8.746 0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.592 -8.465 2.518 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.611 -8.753 1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.146 -7.407 2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.298 -7.072 1.148 1.00 0.00 H new ATOM 778 N TYR A 50 3.875 -6.035 -2.177 1.00 0.00 N ATOM 779 CA TYR A 50 3.948 -6.483 -3.580 1.00 0.00 C ATOM 780 C TYR A 50 5.402 -6.768 -4.000 1.00 0.00 C ATOM 781 O TYR A 50 5.671 -7.789 -4.617 1.00 0.00 O ATOM 782 CB TYR A 50 3.304 -5.438 -4.531 1.00 0.00 C ATOM 783 CG TYR A 50 1.778 -5.499 -4.648 1.00 0.00 C ATOM 784 CD1 TYR A 50 1.128 -6.717 -4.838 1.00 0.00 C ATOM 785 CD2 TYR A 50 0.989 -4.346 -4.595 1.00 0.00 C ATOM 786 CE1 TYR A 50 -0.237 -6.778 -4.973 1.00 0.00 C ATOM 787 CE2 TYR A 50 -0.380 -4.414 -4.730 1.00 0.00 C ATOM 788 CZ TYR A 50 -0.987 -5.627 -4.916 1.00 0.00 C ATOM 789 OH TYR A 50 -2.357 -5.696 -5.049 1.00 0.00 O ATOM 0 H TYR A 50 3.390 -5.146 -2.056 1.00 0.00 H new ATOM 0 HA TYR A 50 3.384 -7.413 -3.658 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.584 -4.442 -4.190 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.732 -5.566 -5.525 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.707 -7.628 -4.880 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.461 -3.386 -4.446 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.722 -7.731 -5.124 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -0.973 -3.512 -4.689 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.738 -4.795 -4.984 1.00 0.00 H new ATOM 799 N GLU A 51 6.330 -5.875 -3.622 1.00 0.00 N ATOM 800 CA GLU A 51 7.770 -6.039 -3.917 1.00 0.00 C ATOM 801 C GLU A 51 8.341 -7.344 -3.305 1.00 0.00 C ATOM 802 O GLU A 51 9.206 -7.984 -3.904 1.00 0.00 O ATOM 803 CB GLU A 51 8.556 -4.816 -3.405 1.00 0.00 C ATOM 804 CG GLU A 51 8.157 -3.487 -4.067 1.00 0.00 C ATOM 805 CD GLU A 51 8.969 -2.304 -3.534 1.00 0.00 C ATOM 806 OE1 GLU A 51 10.104 -2.102 -4.000 1.00 0.00 O ATOM 807 OE2 GLU A 51 8.505 -1.606 -2.608 1.00 0.00 O ATOM 0 H GLU A 51 6.110 -5.023 -3.106 1.00 0.00 H new ATOM 0 HA GLU A 51 7.881 -6.112 -4.999 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.411 -4.730 -2.328 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.620 -4.987 -3.571 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.297 -3.564 -5.145 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.096 -3.303 -3.896 1.00 0.00 H new ATOM 814 N ARG A 52 7.834 -7.720 -2.108 1.00 0.00 N ATOM 815 CA ARG A 52 8.187 -8.996 -1.441 1.00 0.00 C ATOM 816 C ARG A 52 7.661 -10.199 -2.243 1.00 0.00 C ATOM 817 O ARG A 52 8.362 -11.200 -2.417 1.00 0.00 O ATOM 818 CB ARG A 52 7.609 -9.060 0.001 1.00 0.00 C ATOM 819 CG ARG A 52 8.206 -8.037 0.983 1.00 0.00 C ATOM 820 CD ARG A 52 7.662 -8.214 2.411 1.00 0.00 C ATOM 821 NE ARG A 52 8.306 -7.302 3.369 1.00 0.00 N ATOM 822 CZ ARG A 52 8.022 -7.232 4.679 1.00 0.00 C ATOM 823 NH1 ARG A 52 7.103 -8.022 5.236 1.00 0.00 N ATOM 824 NH2 ARG A 52 8.648 -6.347 5.428 1.00 0.00 N ATOM 0 H ARG A 52 7.172 -7.151 -1.579 1.00 0.00 H new ATOM 0 HA ARG A 52 9.275 -9.039 -1.391 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.531 -8.908 -0.048 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.772 -10.062 0.398 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.291 -8.138 0.995 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.984 -7.029 0.634 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.586 -8.039 2.412 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.817 -9.244 2.732 1.00 0.00 H new ATOM 0 HE ARG A 52 9.025 -6.674 3.010 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.598 -8.699 4.664 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.905 -7.949 6.234 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.340 -5.724 5.011 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.441 -6.284 6.425 1.00 0.00 H new ATOM 838 N LEU A 53 6.417 -10.065 -2.741 1.00 0.00 N ATOM 839 CA LEU A 53 5.693 -11.134 -3.462 1.00 0.00 C ATOM 840 C LEU A 53 6.111 -11.245 -4.945 1.00 0.00 C ATOM 841 O LEU A 53 5.411 -11.912 -5.723 1.00 0.00 O ATOM 842 CB LEU A 53 4.160 -10.873 -3.353 1.00 0.00 C ATOM 843 CG LEU A 53 3.583 -10.781 -1.900 1.00 0.00 C ATOM 844 CD1 LEU A 53 2.057 -10.547 -1.913 1.00 0.00 C ATOM 845 CD2 LEU A 53 3.964 -12.021 -1.048 1.00 0.00 C ATOM 0 H LEU A 53 5.879 -9.203 -2.654 1.00 0.00 H new ATOM 0 HA LEU A 53 5.952 -12.084 -2.995 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.932 -9.943 -3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.637 -11.670 -3.881 1.00 0.00 H new ATOM 0 HG LEU A 53 4.043 -9.914 -1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.689 -10.488 -0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.836 -9.614 -2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.567 -11.373 -2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.544 -11.918 -0.047 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.566 -12.921 -1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.049 -12.096 -0.980 1.00 0.00 H new ATOM 857 N ASP A 54 7.248 -10.600 -5.327 1.00 0.00 N ATOM 858 CA ASP A 54 7.754 -10.562 -6.726 1.00 0.00 C ATOM 859 C ASP A 54 6.733 -9.859 -7.669 1.00 0.00 C ATOM 860 O ASP A 54 6.801 -9.956 -8.895 1.00 0.00 O ATOM 861 CB ASP A 54 8.141 -12.014 -7.194 1.00 0.00 C ATOM 862 CG ASP A 54 8.756 -12.106 -8.607 1.00 0.00 C ATOM 863 OD1 ASP A 54 9.878 -11.612 -8.803 1.00 0.00 O ATOM 864 OD2 ASP A 54 8.099 -12.636 -9.535 1.00 0.00 O ATOM 0 H ASP A 54 7.840 -10.091 -4.671 1.00 0.00 H new ATOM 0 HA ASP A 54 8.662 -9.960 -6.771 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.849 -12.433 -6.479 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.249 -12.639 -7.162 1.00 0.00 H new ATOM 869 N ARG A 55 5.812 -9.098 -7.064 1.00 0.00 N ATOM 870 CA ARG A 55 4.739 -8.381 -7.767 1.00 0.00 C ATOM 871 C ARG A 55 5.017 -6.877 -7.756 1.00 0.00 C ATOM 872 O ARG A 55 4.125 -6.064 -7.531 1.00 0.00 O ATOM 873 CB ARG A 55 3.344 -8.701 -7.144 1.00 0.00 C ATOM 874 CG ARG A 55 2.921 -10.186 -7.190 1.00 0.00 C ATOM 875 CD ARG A 55 3.210 -10.856 -8.553 1.00 0.00 C ATOM 876 NE ARG A 55 2.732 -10.055 -9.716 1.00 0.00 N ATOM 877 CZ ARG A 55 3.483 -9.685 -10.782 1.00 0.00 C ATOM 878 NH1 ARG A 55 4.772 -10.017 -10.867 1.00 0.00 N ATOM 879 NH2 ARG A 55 2.947 -8.931 -11.737 1.00 0.00 N ATOM 0 H ARG A 55 5.791 -8.960 -6.054 1.00 0.00 H new ATOM 0 HA ARG A 55 4.718 -8.721 -8.802 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.346 -8.374 -6.104 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.589 -8.110 -7.663 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.445 -10.732 -6.405 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.855 -10.261 -6.973 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.283 -11.019 -8.650 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.735 -11.837 -8.576 1.00 0.00 H new ATOM 0 HE ARG A 55 1.756 -9.760 -9.709 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.209 -10.559 -10.122 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.320 -9.729 -11.677 1.00 0.00 H new ATOM 0 HH21 ARG A 55 1.974 -8.633 -11.666 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.509 -8.650 -12.541 1.00 0.00 H new ATOM 893 N THR A 56 6.272 -6.522 -8.044 1.00 0.00 N ATOM 894 CA THR A 56 6.718 -5.129 -8.144 1.00 0.00 C ATOM 895 C THR A 56 5.963 -4.386 -9.283 1.00 0.00 C ATOM 896 O THR A 56 5.750 -3.184 -9.192 1.00 0.00 O ATOM 897 CB THR A 56 8.267 -5.069 -8.319 1.00 0.00 C ATOM 898 OG1 THR A 56 8.902 -5.625 -7.155 1.00 0.00 O ATOM 899 CG2 THR A 56 8.782 -3.646 -8.555 1.00 0.00 C ATOM 0 H THR A 56 7.015 -7.200 -8.216 1.00 0.00 H new ATOM 0 HA THR A 56 6.475 -4.610 -7.217 1.00 0.00 H new ATOM 0 HB THR A 56 8.516 -5.651 -9.206 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.875 -5.589 -7.265 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.866 -3.666 -8.670 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.329 -3.240 -9.459 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.518 -3.018 -7.704 1.00 0.00 H new ATOM 907 N ASP A 57 5.526 -5.134 -10.317 1.00 0.00 N ATOM 908 CA ASP A 57 4.622 -4.625 -11.386 1.00 0.00 C ATOM 909 C ASP A 57 3.307 -4.085 -10.765 1.00 0.00 C ATOM 910 O ASP A 57 2.869 -2.964 -11.051 1.00 0.00 O ATOM 911 CB ASP A 57 4.332 -5.783 -12.394 1.00 0.00 C ATOM 912 CG ASP A 57 3.192 -5.510 -13.404 1.00 0.00 C ATOM 913 OD1 ASP A 57 3.258 -4.511 -14.155 1.00 0.00 O ATOM 914 OD2 ASP A 57 2.233 -6.315 -13.468 1.00 0.00 O ATOM 0 H ASP A 57 5.787 -6.112 -10.440 1.00 0.00 H new ATOM 0 HA ASP A 57 5.100 -3.801 -11.916 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.245 -5.996 -12.950 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.087 -6.682 -11.829 1.00 0.00 H new ATOM 919 N ASP A 58 2.722 -4.907 -9.882 1.00 0.00 N ATOM 920 CA ASP A 58 1.510 -4.552 -9.107 1.00 0.00 C ATOM 921 C ASP A 58 1.789 -3.391 -8.136 1.00 0.00 C ATOM 922 O ASP A 58 0.900 -2.573 -7.881 1.00 0.00 O ATOM 923 CB ASP A 58 0.971 -5.778 -8.333 1.00 0.00 C ATOM 924 CG ASP A 58 0.410 -6.864 -9.252 1.00 0.00 C ATOM 925 OD1 ASP A 58 1.198 -7.540 -9.936 1.00 0.00 O ATOM 926 OD2 ASP A 58 -0.823 -7.042 -9.308 1.00 0.00 O ATOM 0 H ASP A 58 3.073 -5.843 -9.680 1.00 0.00 H new ATOM 0 HA ASP A 58 0.750 -4.227 -9.818 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.773 -6.200 -7.728 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.190 -5.452 -7.645 1.00 0.00 H new ATOM 931 N ALA A 59 3.033 -3.338 -7.609 1.00 0.00 N ATOM 932 CA ALA A 59 3.489 -2.261 -6.706 1.00 0.00 C ATOM 933 C ALA A 59 3.427 -0.900 -7.413 1.00 0.00 C ATOM 934 O ALA A 59 2.855 0.041 -6.873 1.00 0.00 O ATOM 935 CB ALA A 59 4.916 -2.531 -6.173 1.00 0.00 C ATOM 0 H ALA A 59 3.747 -4.041 -7.799 1.00 0.00 H new ATOM 0 HA ALA A 59 2.814 -2.241 -5.850 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.218 -1.718 -5.512 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.926 -3.470 -5.620 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.611 -2.595 -7.010 1.00 0.00 H new ATOM 941 N ILE A 60 3.973 -0.839 -8.653 1.00 0.00 N ATOM 942 CA ILE A 60 4.028 0.402 -9.472 1.00 0.00 C ATOM 943 C ILE A 60 2.610 0.975 -9.674 1.00 0.00 C ATOM 944 O ILE A 60 2.388 2.177 -9.541 1.00 0.00 O ATOM 945 CB ILE A 60 4.681 0.153 -10.889 1.00 0.00 C ATOM 946 CG1 ILE A 60 6.064 -0.558 -10.774 1.00 0.00 C ATOM 947 CG2 ILE A 60 4.811 1.472 -11.690 1.00 0.00 C ATOM 948 CD1 ILE A 60 7.085 0.143 -9.903 1.00 0.00 C ATOM 0 H ILE A 60 4.388 -1.648 -9.115 1.00 0.00 H new ATOM 0 HA ILE A 60 4.649 1.112 -8.926 1.00 0.00 H new ATOM 0 HB ILE A 60 4.011 -0.512 -11.434 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.905 -1.562 -10.382 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.481 -0.669 -11.775 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.264 1.266 -12.660 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.823 1.908 -11.836 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.438 2.172 -11.138 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.010 -0.434 -9.891 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.283 1.138 -10.303 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.698 0.230 -8.888 1.00 0.00 H new ATOM 960 N ASP A 61 1.680 0.064 -9.976 1.00 0.00 N ATOM 961 CA ASP A 61 0.248 0.366 -10.155 1.00 0.00 C ATOM 962 C ASP A 61 -0.369 0.977 -8.882 1.00 0.00 C ATOM 963 O ASP A 61 -1.069 1.987 -8.948 1.00 0.00 O ATOM 964 CB ASP A 61 -0.494 -0.941 -10.535 1.00 0.00 C ATOM 965 CG ASP A 61 -2.027 -0.791 -10.608 1.00 0.00 C ATOM 966 OD1 ASP A 61 -2.516 -0.097 -11.516 1.00 0.00 O ATOM 967 OD2 ASP A 61 -2.748 -1.399 -9.785 1.00 0.00 O ATOM 0 H ASP A 61 1.901 -0.923 -10.106 1.00 0.00 H new ATOM 0 HA ASP A 61 0.144 1.104 -10.951 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.126 -1.288 -11.501 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.249 -1.712 -9.805 1.00 0.00 H new ATOM 972 N THR A 62 -0.083 0.348 -7.736 1.00 0.00 N ATOM 973 CA THR A 62 -0.665 0.731 -6.433 1.00 0.00 C ATOM 974 C THR A 62 -0.076 2.064 -5.921 1.00 0.00 C ATOM 975 O THR A 62 -0.759 2.845 -5.245 1.00 0.00 O ATOM 976 CB THR A 62 -0.436 -0.413 -5.396 1.00 0.00 C ATOM 977 OG1 THR A 62 -0.926 -1.646 -5.951 1.00 0.00 O ATOM 978 CG2 THR A 62 -1.148 -0.152 -4.061 1.00 0.00 C ATOM 0 H THR A 62 0.559 -0.443 -7.680 1.00 0.00 H new ATOM 0 HA THR A 62 -1.736 0.881 -6.565 1.00 0.00 H new ATOM 0 HB THR A 62 0.634 -0.464 -5.193 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.304 -1.966 -6.637 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.955 -0.979 -3.378 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.775 0.774 -3.624 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.221 -0.066 -4.232 1.00 0.00 H new ATOM 986 N TYR A 63 1.193 2.315 -6.269 1.00 0.00 N ATOM 987 CA TYR A 63 1.878 3.577 -5.959 1.00 0.00 C ATOM 988 C TYR A 63 1.311 4.708 -6.832 1.00 0.00 C ATOM 989 O TYR A 63 1.086 5.804 -6.340 1.00 0.00 O ATOM 990 CB TYR A 63 3.410 3.455 -6.167 1.00 0.00 C ATOM 991 CG TYR A 63 4.140 2.536 -5.173 1.00 0.00 C ATOM 992 CD1 TYR A 63 3.880 2.605 -3.807 1.00 0.00 C ATOM 993 CD2 TYR A 63 5.112 1.624 -5.598 1.00 0.00 C ATOM 994 CE1 TYR A 63 4.548 1.802 -2.915 1.00 0.00 C ATOM 995 CE2 TYR A 63 5.778 0.818 -4.704 1.00 0.00 C ATOM 996 CZ TYR A 63 5.491 0.914 -3.366 1.00 0.00 C ATOM 997 OH TYR A 63 6.146 0.117 -2.471 1.00 0.00 O ATOM 0 H TYR A 63 1.775 1.647 -6.775 1.00 0.00 H new ATOM 0 HA TYR A 63 1.702 3.809 -4.909 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.594 3.089 -7.177 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.848 4.451 -6.104 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.140 3.302 -3.442 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.344 1.551 -6.650 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.331 1.870 -1.859 1.00 0.00 H new ATOM 0 HE2 TYR A 63 6.521 0.116 -5.053 1.00 0.00 H new ATOM 0 HH TYR A 63 6.925 -0.290 -2.904 1.00 0.00 H new ATOM 1007 N ALA A 64 1.082 4.402 -8.131 1.00 0.00 N ATOM 1008 CA ALA A 64 0.478 5.338 -9.112 1.00 0.00 C ATOM 1009 C ALA A 64 -0.947 5.759 -8.699 1.00 0.00 C ATOM 1010 O ALA A 64 -1.331 6.928 -8.824 1.00 0.00 O ATOM 1011 CB ALA A 64 0.445 4.693 -10.511 1.00 0.00 C ATOM 0 H ALA A 64 1.312 3.493 -8.532 1.00 0.00 H new ATOM 0 HA ALA A 64 1.099 6.233 -9.136 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.000 5.389 -11.222 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.461 4.453 -10.825 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.149 3.780 -10.477 1.00 0.00 H new ATOM 1017 N GLN A 65 -1.717 4.772 -8.224 1.00 0.00 N ATOM 1018 CA GLN A 65 -3.076 4.971 -7.698 1.00 0.00 C ATOM 1019 C GLN A 65 -3.000 5.825 -6.413 1.00 0.00 C ATOM 1020 O GLN A 65 -3.815 6.736 -6.192 1.00 0.00 O ATOM 1021 CB GLN A 65 -3.755 3.576 -7.428 1.00 0.00 C ATOM 1022 CG GLN A 65 -5.176 3.361 -8.020 1.00 0.00 C ATOM 1023 CD GLN A 65 -6.343 4.095 -7.312 1.00 0.00 C ATOM 1024 OE1 GLN A 65 -7.426 3.533 -7.169 1.00 0.00 O ATOM 1025 NE2 GLN A 65 -6.205 5.371 -6.989 1.00 0.00 N ATOM 0 H GLN A 65 -1.411 3.800 -8.193 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.689 5.500 -8.428 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.101 2.798 -7.823 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.811 3.428 -6.349 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.161 3.674 -9.064 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.390 2.292 -8.011 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.304 5.833 -7.110 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.000 5.892 -6.619 1.00 0.00 H new ATOM 1034 N GLY A 66 -1.992 5.501 -5.586 1.00 0.00 N ATOM 1035 CA GLY A 66 -1.700 6.230 -4.362 1.00 0.00 C ATOM 1036 C GLY A 66 -1.356 7.692 -4.603 1.00 0.00 C ATOM 1037 O GLY A 66 -1.726 8.534 -3.805 1.00 0.00 O ATOM 0 H GLY A 66 -1.359 4.720 -5.758 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.562 6.171 -3.697 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.868 5.747 -3.849 1.00 0.00 H new ATOM 1041 N ILE A 67 -0.636 7.971 -5.706 1.00 0.00 N ATOM 1042 CA ILE A 67 -0.207 9.334 -6.102 1.00 0.00 C ATOM 1043 C ILE A 67 -1.417 10.280 -6.201 1.00 0.00 C ATOM 1044 O ILE A 67 -1.392 11.384 -5.650 1.00 0.00 O ATOM 1045 CB ILE A 67 0.579 9.307 -7.483 1.00 0.00 C ATOM 1046 CG1 ILE A 67 1.993 8.670 -7.306 1.00 0.00 C ATOM 1047 CG2 ILE A 67 0.677 10.706 -8.162 1.00 0.00 C ATOM 1048 CD1 ILE A 67 2.780 8.492 -8.595 1.00 0.00 C ATOM 0 H ILE A 67 -0.330 7.249 -6.359 1.00 0.00 H new ATOM 0 HA ILE A 67 0.466 9.707 -5.330 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.006 8.682 -8.157 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.574 9.293 -6.626 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.880 7.697 -6.829 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.225 10.618 -9.100 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.325 11.084 -8.362 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.200 11.396 -7.500 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.748 8.043 -8.371 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.226 7.842 -9.273 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.931 9.463 -9.066 1.00 0.00 H new ATOM 1060 N GLU A 68 -2.477 9.786 -6.861 1.00 0.00 N ATOM 1061 CA GLU A 68 -3.709 10.547 -7.140 1.00 0.00 C ATOM 1062 C GLU A 68 -4.377 11.000 -5.832 1.00 0.00 C ATOM 1063 O GLU A 68 -4.776 12.158 -5.683 1.00 0.00 O ATOM 1064 CB GLU A 68 -4.692 9.662 -7.955 1.00 0.00 C ATOM 1065 CG GLU A 68 -4.092 9.068 -9.242 1.00 0.00 C ATOM 1066 CD GLU A 68 -5.036 8.077 -9.944 1.00 0.00 C ATOM 1067 OE1 GLU A 68 -5.220 6.954 -9.430 1.00 0.00 O ATOM 1068 OE2 GLU A 68 -5.583 8.406 -11.017 1.00 0.00 O ATOM 0 H GLU A 68 -2.504 8.832 -7.222 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.449 11.434 -7.718 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.040 8.847 -7.320 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.567 10.257 -8.217 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.848 9.878 -9.930 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.157 8.562 -9.001 1.00 0.00 H new ATOM 1075 N VAL A 69 -4.474 10.059 -4.890 1.00 0.00 N ATOM 1076 CA VAL A 69 -5.149 10.285 -3.605 1.00 0.00 C ATOM 1077 C VAL A 69 -4.214 10.975 -2.579 1.00 0.00 C ATOM 1078 O VAL A 69 -4.679 11.584 -1.635 1.00 0.00 O ATOM 1079 CB VAL A 69 -5.741 8.942 -3.036 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -6.652 8.249 -4.080 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -4.648 7.974 -2.543 1.00 0.00 C ATOM 0 H VAL A 69 -4.089 9.120 -4.994 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.981 10.966 -3.785 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.344 9.211 -2.169 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.047 7.324 -3.661 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.478 8.912 -4.340 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.073 8.023 -4.975 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.112 7.065 -2.161 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.984 7.723 -3.370 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.073 8.449 -1.748 1.00 0.00 H new ATOM 1091 N ALA A 70 -2.893 10.857 -2.782 1.00 0.00 N ATOM 1092 CA ALA A 70 -1.874 11.433 -1.867 1.00 0.00 C ATOM 1093 C ALA A 70 -1.767 12.954 -2.019 1.00 0.00 C ATOM 1094 O ALA A 70 -1.742 13.682 -1.029 1.00 0.00 O ATOM 1095 CB ALA A 70 -0.508 10.791 -2.102 1.00 0.00 C ATOM 0 H ALA A 70 -2.494 10.363 -3.580 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.200 11.217 -0.850 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.222 11.229 -1.421 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.574 9.718 -1.922 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.195 10.968 -3.131 1.00 0.00 H new ATOM 1101 N ARG A 71 -1.697 13.417 -3.273 1.00 0.00 N ATOM 1102 CA ARG A 71 -1.557 14.854 -3.591 1.00 0.00 C ATOM 1103 C ARG A 71 -2.789 15.663 -3.136 1.00 0.00 C ATOM 1104 O ARG A 71 -2.653 16.816 -2.714 1.00 0.00 O ATOM 1105 CB ARG A 71 -1.290 15.053 -5.110 1.00 0.00 C ATOM 1106 CG ARG A 71 -2.323 14.384 -6.036 1.00 0.00 C ATOM 1107 CD ARG A 71 -2.017 14.574 -7.525 1.00 0.00 C ATOM 1108 NE ARG A 71 -2.205 15.970 -7.953 1.00 0.00 N ATOM 1109 CZ ARG A 71 -1.652 16.519 -9.044 1.00 0.00 C ATOM 1110 NH1 ARG A 71 -0.719 15.875 -9.732 1.00 0.00 N ATOM 1111 NH2 ARG A 71 -1.996 17.737 -9.406 1.00 0.00 N ATOM 0 H ARG A 71 -1.735 12.815 -4.095 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.699 15.234 -3.036 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.268 16.121 -5.325 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.301 14.660 -5.346 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.363 13.318 -5.814 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.311 14.791 -5.821 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.990 14.268 -7.726 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -2.664 13.924 -8.114 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.801 16.564 -7.376 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.413 14.949 -9.433 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.308 16.306 -10.560 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.680 18.258 -8.857 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.578 18.160 -10.235 1.00 0.00 H new ATOM 1125 N GLU A 72 -3.993 15.063 -3.232 1.00 0.00 N ATOM 1126 CA GLU A 72 -5.248 15.744 -2.850 1.00 0.00 C ATOM 1127 C GLU A 72 -5.600 15.507 -1.362 1.00 0.00 C ATOM 1128 O GLU A 72 -5.815 16.461 -0.605 1.00 0.00 O ATOM 1129 CB GLU A 72 -6.407 15.266 -3.762 1.00 0.00 C ATOM 1130 CG GLU A 72 -6.117 15.359 -5.279 1.00 0.00 C ATOM 1131 CD GLU A 72 -5.651 16.756 -5.735 1.00 0.00 C ATOM 1132 OE1 GLU A 72 -6.481 17.677 -5.803 1.00 0.00 O ATOM 1133 OE2 GLU A 72 -4.450 16.936 -6.039 1.00 0.00 O ATOM 0 H GLU A 72 -4.123 14.110 -3.570 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.102 16.816 -2.984 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.643 14.231 -3.514 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.295 15.858 -3.539 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.352 14.627 -5.539 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.018 15.088 -5.830 1.00 0.00 H new ATOM 1140 N GLU A 73 -5.648 14.229 -0.962 1.00 0.00 N ATOM 1141 CA GLU A 73 -6.181 13.808 0.356 1.00 0.00 C ATOM 1142 C GLU A 73 -5.076 13.605 1.407 1.00 0.00 C ATOM 1143 O GLU A 73 -5.249 13.988 2.568 1.00 0.00 O ATOM 1144 CB GLU A 73 -7.000 12.506 0.197 1.00 0.00 C ATOM 1145 CG GLU A 73 -8.156 12.592 -0.819 1.00 0.00 C ATOM 1146 CD GLU A 73 -9.265 13.611 -0.454 1.00 0.00 C ATOM 1147 OE1 GLU A 73 -9.545 13.825 0.746 1.00 0.00 O ATOM 1148 OE2 GLU A 73 -9.899 14.172 -1.376 1.00 0.00 O ATOM 0 H GLU A 73 -5.320 13.453 -1.537 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.821 14.614 0.716 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.327 11.704 -0.106 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.408 12.229 1.169 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.746 12.856 -1.794 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.607 11.605 -0.920 1.00 0.00 H new ATOM 1155 N GLY A 74 -3.949 12.989 1.003 1.00 0.00 N ATOM 1156 CA GLY A 74 -2.843 12.700 1.931 1.00 0.00 C ATOM 1157 C GLY A 74 -1.886 13.875 2.085 1.00 0.00 C ATOM 1158 O GLY A 74 -2.213 14.998 1.687 1.00 0.00 O ATOM 0 H GLY A 74 -3.782 12.684 0.044 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -3.251 12.438 2.907 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -2.291 11.831 1.573 1.00 0.00 H new ATOM 1162 N THR A 75 -0.710 13.627 2.674 1.00 0.00 N ATOM 1163 CA THR A 75 0.359 14.641 2.796 1.00 0.00 C ATOM 1164 C THR A 75 1.268 14.615 1.546 1.00 0.00 C ATOM 1165 O THR A 75 1.185 13.687 0.724 1.00 0.00 O ATOM 1166 CB THR A 75 1.231 14.404 4.082 1.00 0.00 C ATOM 1167 OG1 THR A 75 1.916 13.144 3.999 1.00 0.00 O ATOM 1168 CG2 THR A 75 0.386 14.438 5.369 1.00 0.00 C ATOM 0 H THR A 75 -0.467 12.723 3.080 1.00 0.00 H new ATOM 0 HA THR A 75 -0.121 15.616 2.879 1.00 0.00 H new ATOM 0 HB THR A 75 1.955 15.218 4.129 1.00 0.00 H new ATOM 0 HG1 THR A 75 1.262 12.414 4.015 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.030 14.270 6.232 1.00 0.00 H new ATOM 0 HG22 THR A 75 -0.097 15.411 5.461 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.374 13.658 5.326 1.00 0.00 H new ATOM 1176 N GLN A 76 2.141 15.632 1.412 1.00 0.00 N ATOM 1177 CA GLN A 76 3.170 15.667 0.355 1.00 0.00 C ATOM 1178 C GLN A 76 4.252 14.615 0.644 1.00 0.00 C ATOM 1179 O GLN A 76 4.904 14.122 -0.273 1.00 0.00 O ATOM 1180 CB GLN A 76 3.795 17.084 0.241 1.00 0.00 C ATOM 1181 CG GLN A 76 4.797 17.257 -0.922 1.00 0.00 C ATOM 1182 CD GLN A 76 5.266 18.697 -1.118 1.00 0.00 C ATOM 1183 OE1 GLN A 76 6.275 19.129 -0.550 1.00 0.00 O ATOM 1184 NE2 GLN A 76 4.530 19.456 -1.917 1.00 0.00 N ATOM 0 H GLN A 76 2.153 16.445 2.027 1.00 0.00 H new ATOM 0 HA GLN A 76 2.700 15.432 -0.600 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.992 17.812 0.122 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.302 17.319 1.177 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.665 16.623 -0.740 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.334 16.906 -1.844 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.703 19.067 -2.370 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.791 20.429 -2.079 1.00 0.00 H new ATOM 1193 N LYS A 77 4.409 14.279 1.938 1.00 0.00 N ATOM 1194 CA LYS A 77 5.278 13.183 2.395 1.00 0.00 C ATOM 1195 C LYS A 77 4.802 11.853 1.786 1.00 0.00 C ATOM 1196 O LYS A 77 5.610 11.096 1.242 1.00 0.00 O ATOM 1197 CB LYS A 77 5.277 13.105 3.946 1.00 0.00 C ATOM 1198 CG LYS A 77 6.212 12.023 4.549 1.00 0.00 C ATOM 1199 CD LYS A 77 6.283 12.085 6.094 1.00 0.00 C ATOM 1200 CE LYS A 77 6.767 13.453 6.606 1.00 0.00 C ATOM 1201 NZ LYS A 77 6.877 13.496 8.086 1.00 0.00 N ATOM 0 H LYS A 77 3.933 14.764 2.699 1.00 0.00 H new ATOM 0 HA LYS A 77 6.298 13.376 2.064 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.567 14.077 4.344 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.259 12.913 4.284 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.862 11.036 4.245 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.214 12.146 4.139 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.298 11.873 6.509 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.955 11.307 6.455 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.738 13.680 6.165 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.076 14.228 6.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.206 14.437 8.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.946 13.306 8.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 7.556 12.775 8.405 1.00 0.00 H new ATOM 1215 N ASP A 78 3.468 11.620 1.840 1.00 0.00 N ATOM 1216 CA ASP A 78 2.835 10.418 1.256 1.00 0.00 C ATOM 1217 C ASP A 78 3.085 10.365 -0.246 1.00 0.00 C ATOM 1218 O ASP A 78 3.523 9.338 -0.763 1.00 0.00 O ATOM 1219 CB ASP A 78 1.304 10.374 1.520 1.00 0.00 C ATOM 1220 CG ASP A 78 0.948 10.056 2.975 1.00 0.00 C ATOM 1221 OD1 ASP A 78 1.403 9.009 3.488 1.00 0.00 O ATOM 1222 OD2 ASP A 78 0.221 10.835 3.612 1.00 0.00 O ATOM 0 H ASP A 78 2.807 12.256 2.286 1.00 0.00 H new ATOM 0 HA ASP A 78 3.288 9.554 1.741 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.868 11.335 1.249 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.852 9.624 0.871 1.00 0.00 H new ATOM 1227 N LEU A 79 2.821 11.502 -0.913 1.00 0.00 N ATOM 1228 CA LEU A 79 2.962 11.642 -2.369 1.00 0.00 C ATOM 1229 C LEU A 79 4.393 11.299 -2.822 1.00 0.00 C ATOM 1230 O LEU A 79 4.594 10.458 -3.706 1.00 0.00 O ATOM 1231 CB LEU A 79 2.602 13.089 -2.799 1.00 0.00 C ATOM 1232 CG LEU A 79 2.716 13.390 -4.327 1.00 0.00 C ATOM 1233 CD1 LEU A 79 1.747 12.511 -5.138 1.00 0.00 C ATOM 1234 CD2 LEU A 79 2.499 14.888 -4.618 1.00 0.00 C ATOM 0 H LEU A 79 2.502 12.354 -0.452 1.00 0.00 H new ATOM 0 HA LEU A 79 2.277 10.942 -2.847 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.581 13.299 -2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.252 13.780 -2.262 1.00 0.00 H new ATOM 0 HG LEU A 79 3.729 13.140 -4.643 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.848 12.742 -6.199 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.983 11.460 -4.971 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.723 12.708 -4.819 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.584 15.067 -5.690 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.507 15.185 -4.279 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.252 15.474 -4.091 1.00 0.00 H new ATOM 1246 N SER A 80 5.372 11.933 -2.158 1.00 0.00 N ATOM 1247 CA SER A 80 6.791 11.822 -2.497 1.00 0.00 C ATOM 1248 C SER A 80 7.316 10.399 -2.221 1.00 0.00 C ATOM 1249 O SER A 80 8.180 9.919 -2.942 1.00 0.00 O ATOM 1250 CB SER A 80 7.608 12.878 -1.713 1.00 0.00 C ATOM 1251 OG SER A 80 8.941 12.955 -2.188 1.00 0.00 O ATOM 0 H SER A 80 5.193 12.544 -1.361 1.00 0.00 H new ATOM 0 HA SER A 80 6.909 12.014 -3.563 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.130 13.853 -1.806 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.612 12.624 -0.653 1.00 0.00 H new ATOM 0 HG SER A 80 9.432 13.631 -1.676 1.00 0.00 H new ATOM 1257 N GLU A 81 6.753 9.731 -1.194 1.00 0.00 N ATOM 1258 CA GLU A 81 7.098 8.340 -0.840 1.00 0.00 C ATOM 1259 C GLU A 81 6.600 7.346 -1.899 1.00 0.00 C ATOM 1260 O GLU A 81 7.344 6.462 -2.314 1.00 0.00 O ATOM 1261 CB GLU A 81 6.529 7.985 0.566 1.00 0.00 C ATOM 1262 CG GLU A 81 7.372 8.502 1.747 1.00 0.00 C ATOM 1263 CD GLU A 81 8.752 7.830 1.807 1.00 0.00 C ATOM 1264 OE1 GLU A 81 8.857 6.731 2.386 1.00 0.00 O ATOM 1265 OE2 GLU A 81 9.732 8.367 1.240 1.00 0.00 O ATOM 0 H GLU A 81 6.045 10.142 -0.586 1.00 0.00 H new ATOM 0 HA GLU A 81 8.185 8.261 -0.808 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.522 8.393 0.650 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.442 6.901 0.645 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.498 9.581 1.658 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.839 8.319 2.680 1.00 0.00 H new ATOM 1272 N LEU A 82 5.337 7.501 -2.314 1.00 0.00 N ATOM 1273 CA LEU A 82 4.701 6.646 -3.339 1.00 0.00 C ATOM 1274 C LEU A 82 5.429 6.764 -4.694 1.00 0.00 C ATOM 1275 O LEU A 82 5.687 5.752 -5.365 1.00 0.00 O ATOM 1276 CB LEU A 82 3.210 7.043 -3.468 1.00 0.00 C ATOM 1277 CG LEU A 82 2.324 6.684 -2.223 1.00 0.00 C ATOM 1278 CD1 LEU A 82 1.099 7.594 -2.120 1.00 0.00 C ATOM 1279 CD2 LEU A 82 1.895 5.210 -2.258 1.00 0.00 C ATOM 0 H LEU A 82 4.719 8.226 -1.949 1.00 0.00 H new ATOM 0 HA LEU A 82 4.771 5.603 -3.032 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.148 8.117 -3.643 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.792 6.552 -4.347 1.00 0.00 H new ATOM 0 HG LEU A 82 2.936 6.846 -1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.511 7.315 -1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.423 8.630 -2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.489 7.487 -3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.282 4.988 -1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.318 5.020 -3.163 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.780 4.573 -2.252 1.00 0.00 H new ATOM 1291 N GLN A 83 5.801 8.008 -5.046 1.00 0.00 N ATOM 1292 CA GLN A 83 6.556 8.316 -6.268 1.00 0.00 C ATOM 1293 C GLN A 83 7.974 7.718 -6.184 1.00 0.00 C ATOM 1294 O GLN A 83 8.417 7.033 -7.108 1.00 0.00 O ATOM 1295 CB GLN A 83 6.628 9.854 -6.481 1.00 0.00 C ATOM 1296 CG GLN A 83 5.267 10.515 -6.802 1.00 0.00 C ATOM 1297 CD GLN A 83 5.283 12.049 -6.844 1.00 0.00 C ATOM 1298 OE1 GLN A 83 4.534 12.672 -7.600 1.00 0.00 O ATOM 1299 NE2 GLN A 83 6.089 12.675 -6.002 1.00 0.00 N ATOM 0 H GLN A 83 5.583 8.831 -4.485 1.00 0.00 H new ATOM 0 HA GLN A 83 6.042 7.871 -7.120 1.00 0.00 H new ATOM 0 HB2 GLN A 83 7.040 10.315 -5.583 1.00 0.00 H new ATOM 0 HB3 GLN A 83 7.322 10.065 -7.295 1.00 0.00 H new ATOM 0 HG2 GLN A 83 4.919 10.144 -7.766 1.00 0.00 H new ATOM 0 HG3 GLN A 83 4.540 10.195 -6.056 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.700 12.138 -5.386 1.00 0.00 H new ATOM 0 HE22 GLN A 83 6.100 13.694 -5.969 1.00 0.00 H new ATOM 1308 N ASP A 84 8.643 7.938 -5.036 1.00 0.00 N ATOM 1309 CA ASP A 84 10.039 7.503 -4.804 1.00 0.00 C ATOM 1310 C ASP A 84 10.162 5.976 -4.834 1.00 0.00 C ATOM 1311 O ASP A 84 11.123 5.425 -5.382 1.00 0.00 O ATOM 1312 CB ASP A 84 10.565 8.038 -3.445 1.00 0.00 C ATOM 1313 CG ASP A 84 12.007 7.589 -3.128 1.00 0.00 C ATOM 1314 OD1 ASP A 84 12.947 8.085 -3.784 1.00 0.00 O ATOM 1315 OD2 ASP A 84 12.208 6.726 -2.249 1.00 0.00 O ATOM 0 H ASP A 84 8.231 8.424 -4.239 1.00 0.00 H new ATOM 0 HA ASP A 84 10.644 7.916 -5.611 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.524 9.127 -3.451 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.903 7.699 -2.648 1.00 0.00 H new ATOM 1320 N ALA A 85 9.172 5.311 -4.238 1.00 0.00 N ATOM 1321 CA ALA A 85 9.146 3.856 -4.108 1.00 0.00 C ATOM 1322 C ALA A 85 8.994 3.185 -5.472 1.00 0.00 C ATOM 1323 O ALA A 85 9.714 2.233 -5.764 1.00 0.00 O ATOM 1324 CB ALA A 85 8.033 3.419 -3.149 1.00 0.00 C ATOM 0 H ALA A 85 8.359 5.772 -3.829 1.00 0.00 H new ATOM 0 HA ALA A 85 10.099 3.536 -3.688 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.030 2.332 -3.066 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.206 3.858 -2.166 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.070 3.756 -3.532 1.00 0.00 H new ATOM 1330 N LYS A 86 8.076 3.712 -6.310 1.00 0.00 N ATOM 1331 CA LYS A 86 7.813 3.130 -7.644 1.00 0.00 C ATOM 1332 C LYS A 86 8.965 3.388 -8.625 1.00 0.00 C ATOM 1333 O LYS A 86 9.275 2.509 -9.433 1.00 0.00 O ATOM 1334 CB LYS A 86 6.464 3.619 -8.240 1.00 0.00 C ATOM 1335 CG LYS A 86 6.376 5.117 -8.595 1.00 0.00 C ATOM 1336 CD LYS A 86 4.938 5.566 -8.944 1.00 0.00 C ATOM 1337 CE LYS A 86 4.315 4.799 -10.120 1.00 0.00 C ATOM 1338 NZ LYS A 86 5.016 5.051 -11.401 1.00 0.00 N ATOM 0 H LYS A 86 7.510 4.531 -6.090 1.00 0.00 H new ATOM 0 HA LYS A 86 7.739 2.053 -7.496 1.00 0.00 H new ATOM 0 HB2 LYS A 86 6.259 3.041 -9.141 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.672 3.389 -7.527 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.742 5.707 -7.755 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.032 5.325 -9.440 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.305 5.441 -8.065 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.947 6.630 -9.181 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.335 3.731 -9.903 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.268 5.084 -10.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.556 4.510 -12.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.976 6.066 -11.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.009 4.754 -11.317 1.00 0.00 H new ATOM 1352 N LEU A 87 9.623 4.574 -8.552 1.00 0.00 N ATOM 1353 CA LEU A 87 10.689 4.926 -9.513 1.00 0.00 C ATOM 1354 C LEU A 87 11.951 4.095 -9.270 1.00 0.00 C ATOM 1355 O LEU A 87 12.651 3.751 -10.220 1.00 0.00 O ATOM 1356 CB LEU A 87 10.965 6.473 -9.572 1.00 0.00 C ATOM 1357 CG LEU A 87 11.333 7.244 -8.253 1.00 0.00 C ATOM 1358 CD1 LEU A 87 12.783 7.013 -7.774 1.00 0.00 C ATOM 1359 CD2 LEU A 87 11.045 8.758 -8.394 1.00 0.00 C ATOM 0 H LEU A 87 9.435 5.288 -7.849 1.00 0.00 H new ATOM 0 HA LEU A 87 10.329 4.665 -10.508 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.777 6.633 -10.281 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.078 6.947 -9.991 1.00 0.00 H new ATOM 0 HG LEU A 87 10.688 6.823 -7.481 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.958 7.579 -6.859 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.937 5.952 -7.579 1.00 0.00 H new ATOM 0 HD13 LEU A 87 13.478 7.345 -8.545 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.309 9.266 -7.467 1.00 0.00 H new ATOM 0 HD22 LEU A 87 11.637 9.166 -9.213 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.986 8.909 -8.602 1.00 0.00 H new ATOM 1371 N LYS A 88 12.255 3.789 -7.992 1.00 0.00 N ATOM 1372 CA LYS A 88 13.359 2.874 -7.659 1.00 0.00 C ATOM 1373 C LYS A 88 12.972 1.400 -7.907 1.00 0.00 C ATOM 1374 O LYS A 88 13.830 0.589 -8.265 1.00 0.00 O ATOM 1375 CB LYS A 88 13.890 3.096 -6.219 1.00 0.00 C ATOM 1376 CG LYS A 88 12.914 2.796 -5.067 1.00 0.00 C ATOM 1377 CD LYS A 88 13.641 2.735 -3.703 1.00 0.00 C ATOM 1378 CE LYS A 88 12.680 2.661 -2.513 1.00 0.00 C ATOM 1379 NZ LYS A 88 11.957 3.942 -2.309 1.00 0.00 N ATOM 0 H LYS A 88 11.756 4.159 -7.183 1.00 0.00 H new ATOM 0 HA LYS A 88 14.180 3.111 -8.335 1.00 0.00 H new ATOM 0 HB2 LYS A 88 14.776 2.476 -6.084 1.00 0.00 H new ATOM 0 HB3 LYS A 88 14.211 4.134 -6.131 1.00 0.00 H new ATOM 0 HG2 LYS A 88 12.142 3.565 -5.034 1.00 0.00 H new ATOM 0 HG3 LYS A 88 12.411 1.847 -5.254 1.00 0.00 H new ATOM 0 HD2 LYS A 88 14.298 1.865 -3.687 1.00 0.00 H new ATOM 0 HD3 LYS A 88 14.275 3.615 -3.596 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.960 1.859 -2.676 1.00 0.00 H new ATOM 0 HE3 LYS A 88 13.237 2.410 -1.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.015 3.750 -1.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 12.494 4.543 -1.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.854 4.432 -3.221 1.00 0.00 H new ATOM 1393 N ALA A 89 11.676 1.062 -7.710 1.00 0.00 N ATOM 1394 CA ALA A 89 11.132 -0.300 -7.951 1.00 0.00 C ATOM 1395 C ALA A 89 11.183 -0.722 -9.442 1.00 0.00 C ATOM 1396 O ALA A 89 11.156 -1.918 -9.749 1.00 0.00 O ATOM 1397 CB ALA A 89 9.702 -0.382 -7.403 1.00 0.00 C ATOM 0 H ALA A 89 10.975 1.725 -7.379 1.00 0.00 H new ATOM 0 HA ALA A 89 11.771 -1.007 -7.422 1.00 0.00 H new ATOM 0 HB1 ALA A 89 9.302 -1.380 -7.579 1.00 0.00 H new ATOM 0 HB2 ALA A 89 9.710 -0.178 -6.332 1.00 0.00 H new ATOM 0 HB3 ALA A 89 9.076 0.354 -7.908 1.00 0.00 H new