USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 803 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 75 ASN : amide:sc= -0.0551 K(o=-0.16,f=-1.4) USER MOD Set 1.2: A 90 MET CE :methyl 180:sc= -0.1 (180deg=-0.0487) USER MOD Set 2.1: A 61 TYR OH : rot 180:sc= -0.0364 USER MOD Set 2.2: A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot -14:sc= -1.01 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.584 K(o=-0.58,f=-3.1!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.582 K(o=0.58,f=-3!) USER MOD Single : A 33 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0304) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -101:sc= -0.248 (180deg=-1.62!) USER MOD Single : A 44 ASN : amide:sc= -0.0967 K(o=-0.097,f=-1.9!) USER MOD Single : A 52 ASN : amide:sc= -0.0849 K(o=-0.085,f=-1.8!) USER MOD Single : A 53 HIS : no HD1:sc= -1 K(o=-1,f=-0.19) USER MOD Single : A 54 LYS NZ :NH3+ -119:sc= 0.142 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.454 K(o=-0.45,f=-1.2) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.0859 K(o=-0.086,f=-1.9!) USER MOD Single : A 59 MET CE :methyl -112:sc= -0.761 (180deg=-1.61) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -148:sc= -0.0419 (180deg=-1.45!) USER MOD Single : A 70 HIS : no HD1:sc= -0.339 X(o=-0.34,f=0.069) USER MOD Single : A 71 TYR OH : rot 106:sc= -2.75! USER MOD Single : A 72 TYR OH : rot -55:sc= -0.276 USER MOD Single : A 73 LYS NZ :NH3+ -105:sc= -1.68! (180deg=-4.39!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -2.22! C(o=-2.2!,f=-1.9!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -54:sc= 0.232 USER MOD Single : A 110 GLN : amide:sc= -0.74 K(o=-0.74,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 101 N LEU A 10 -9.569 10.354 11.881 1.00 0.00 N ATOM 102 CA LEU A 10 -8.176 10.661 11.572 1.00 0.00 C ATOM 103 C LEU A 10 -7.667 9.791 10.428 1.00 0.00 C ATOM 104 O LEU A 10 -8.142 8.672 10.226 1.00 0.00 O ATOM 105 CB LEU A 10 -7.302 10.458 12.811 1.00 0.00 C ATOM 106 CG LEU A 10 -7.446 11.507 13.914 1.00 0.00 C ATOM 107 CD1 LEU A 10 -7.069 12.885 13.393 1.00 0.00 C ATOM 108 CD2 LEU A 10 -8.866 11.512 14.462 1.00 0.00 C ATOM 0 HA LEU A 10 -8.120 11.705 11.262 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.530 9.480 13.235 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.259 10.433 12.495 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.765 11.250 14.725 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.178 13.618 14.192 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.035 12.874 13.049 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.724 13.152 12.564 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.951 12.264 15.246 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.565 11.745 13.659 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.100 10.531 14.874 1.00 0.00 H new ATOM 120 N LEU A 11 -6.699 10.310 9.682 1.00 0.00 N ATOM 121 CA LEU A 11 -6.123 9.579 8.558 1.00 0.00 C ATOM 122 C LEU A 11 -5.424 8.310 9.035 1.00 0.00 C ATOM 123 O LEU A 11 -5.907 7.201 8.808 1.00 0.00 O ATOM 124 CB LEU A 11 -5.133 10.467 7.801 1.00 0.00 C ATOM 125 CG LEU A 11 -4.063 9.737 6.989 1.00 0.00 C ATOM 126 CD1 LEU A 11 -4.705 8.854 5.930 1.00 0.00 C ATOM 127 CD2 LEU A 11 -3.108 10.733 6.347 1.00 0.00 C ATOM 0 H LEU A 11 -6.296 11.234 9.835 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.934 9.295 7.887 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.696 11.112 7.126 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.635 11.117 8.520 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.493 9.101 7.666 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.927 8.343 5.362 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.347 8.117 6.412 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.301 9.469 5.256 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.353 10.195 5.773 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.665 11.395 5.684 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.621 11.323 7.124 1.00 0.00 H new ATOM 139 N TRP A 12 -4.285 8.481 9.697 1.00 0.00 N ATOM 140 CA TRP A 12 -3.521 7.349 10.208 1.00 0.00 C ATOM 141 C TRP A 12 -4.447 6.217 10.640 1.00 0.00 C ATOM 142 O TRP A 12 -4.160 5.044 10.402 1.00 0.00 O ATOM 143 CB TRP A 12 -2.647 7.787 11.385 1.00 0.00 C ATOM 144 CG TRP A 12 -3.431 8.094 12.625 1.00 0.00 C ATOM 145 CD1 TRP A 12 -4.204 9.196 12.853 1.00 0.00 C ATOM 146 CD2 TRP A 12 -3.516 7.290 13.806 1.00 0.00 C ATOM 147 NE1 TRP A 12 -4.765 9.126 14.106 1.00 0.00 N ATOM 148 CE2 TRP A 12 -4.359 7.965 14.710 1.00 0.00 C ATOM 149 CE3 TRP A 12 -2.964 6.064 14.188 1.00 0.00 C ATOM 150 CZ2 TRP A 12 -4.660 7.455 15.970 1.00 0.00 C ATOM 151 CZ3 TRP A 12 -3.264 5.559 15.439 1.00 0.00 C ATOM 152 CH2 TRP A 12 -4.106 6.253 16.318 1.00 0.00 C ATOM 0 H TRP A 12 -3.871 9.392 9.892 1.00 0.00 H new ATOM 0 HA TRP A 12 -2.881 6.983 9.405 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.926 7.000 11.605 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.077 8.670 11.096 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.353 10.004 12.152 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -5.383 9.825 14.519 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -2.315 5.521 13.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -5.308 7.989 16.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.842 4.613 15.744 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.322 5.831 17.289 1.00 0.00 H new ATOM 163 N ASP A 13 -5.557 6.577 11.274 1.00 0.00 N ATOM 164 CA ASP A 13 -6.526 5.590 11.738 1.00 0.00 C ATOM 165 C ASP A 13 -7.359 5.059 10.575 1.00 0.00 C ATOM 166 O ASP A 13 -7.580 3.854 10.457 1.00 0.00 O ATOM 167 CB ASP A 13 -7.441 6.203 12.799 1.00 0.00 C ATOM 168 CG ASP A 13 -8.683 5.368 13.044 1.00 0.00 C ATOM 169 OD1 ASP A 13 -8.540 4.159 13.323 1.00 0.00 O ATOM 170 OD2 ASP A 13 -9.798 5.924 12.959 1.00 0.00 O ATOM 0 H ASP A 13 -5.809 7.544 11.479 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.978 4.757 12.179 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.889 6.311 13.733 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.736 7.205 12.486 1.00 0.00 H new ATOM 175 N TYR A 14 -7.820 5.966 9.721 1.00 0.00 N ATOM 176 CA TYR A 14 -8.632 5.589 8.570 1.00 0.00 C ATOM 177 C TYR A 14 -8.089 4.325 7.911 1.00 0.00 C ATOM 178 O TYR A 14 -8.824 3.589 7.254 1.00 0.00 O ATOM 179 CB TYR A 14 -8.672 6.731 7.553 1.00 0.00 C ATOM 180 CG TYR A 14 -8.921 6.269 6.135 1.00 0.00 C ATOM 181 CD1 TYR A 14 -10.215 6.120 5.649 1.00 0.00 C ATOM 182 CD2 TYR A 14 -7.864 5.982 5.281 1.00 0.00 C ATOM 183 CE1 TYR A 14 -10.447 5.698 4.354 1.00 0.00 C ATOM 184 CE2 TYR A 14 -8.087 5.561 3.984 1.00 0.00 C ATOM 185 CZ TYR A 14 -9.380 5.420 3.526 1.00 0.00 C ATOM 186 OH TYR A 14 -9.607 4.999 2.235 1.00 0.00 O ATOM 0 H TYR A 14 -7.645 6.967 9.804 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.644 5.388 8.921 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -9.453 7.435 7.840 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.727 7.272 7.589 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.053 6.338 6.295 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.850 6.090 5.637 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.458 5.586 3.992 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.253 5.344 3.333 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.546 4.737 2.137 1.00 0.00 H new ATOM 196 N VAL A 15 -6.795 4.079 8.094 1.00 0.00 N ATOM 197 CA VAL A 15 -6.152 2.903 7.519 1.00 0.00 C ATOM 198 C VAL A 15 -6.845 1.622 7.970 1.00 0.00 C ATOM 199 O VAL A 15 -7.443 0.910 7.163 1.00 0.00 O ATOM 200 CB VAL A 15 -4.664 2.832 7.907 1.00 0.00 C ATOM 201 CG1 VAL A 15 -4.018 1.585 7.321 1.00 0.00 C ATOM 202 CG2 VAL A 15 -3.934 4.086 7.449 1.00 0.00 C ATOM 0 H VAL A 15 -6.172 4.678 8.636 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.234 2.995 6.436 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.592 2.773 8.993 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.966 1.552 7.606 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.525 0.699 7.703 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.099 1.610 6.234 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.883 4.019 7.731 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.013 4.178 6.366 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.382 4.961 7.921 1.00 0.00 H new ATOM 212 N TYR A 16 -6.762 1.336 9.265 1.00 0.00 N ATOM 213 CA TYR A 16 -7.380 0.139 9.824 1.00 0.00 C ATOM 214 C TYR A 16 -8.707 -0.162 9.134 1.00 0.00 C ATOM 215 O TYR A 16 -8.874 -1.214 8.519 1.00 0.00 O ATOM 216 CB TYR A 16 -7.600 0.308 11.328 1.00 0.00 C ATOM 217 CG TYR A 16 -7.842 -0.995 12.055 1.00 0.00 C ATOM 218 CD1 TYR A 16 -6.828 -1.935 12.193 1.00 0.00 C ATOM 219 CD2 TYR A 16 -9.085 -1.287 12.603 1.00 0.00 C ATOM 220 CE1 TYR A 16 -7.045 -3.128 12.856 1.00 0.00 C ATOM 221 CE2 TYR A 16 -9.311 -2.476 13.269 1.00 0.00 C ATOM 222 CZ TYR A 16 -8.288 -3.393 13.392 1.00 0.00 C ATOM 223 OH TYR A 16 -8.509 -4.580 14.054 1.00 0.00 O ATOM 0 H TYR A 16 -6.273 1.916 9.947 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.705 -0.700 9.655 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.729 0.799 11.761 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.452 0.968 11.490 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.854 -1.730 11.775 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -9.889 -0.572 12.507 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.246 -3.848 12.954 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -10.283 -2.686 13.691 1.00 0.00 H new ATOM 0 HH TYR A 16 -9.436 -4.610 14.372 1.00 0.00 H new ATOM 233 N GLN A 17 -9.647 0.772 9.243 1.00 0.00 N ATOM 234 CA GLN A 17 -10.960 0.607 8.631 1.00 0.00 C ATOM 235 C GLN A 17 -10.853 -0.137 7.304 1.00 0.00 C ATOM 236 O GLN A 17 -11.675 -1.001 6.996 1.00 0.00 O ATOM 237 CB GLN A 17 -11.619 1.971 8.413 1.00 0.00 C ATOM 238 CG GLN A 17 -12.346 2.498 9.639 1.00 0.00 C ATOM 239 CD GLN A 17 -11.399 2.899 10.752 1.00 0.00 C ATOM 240 OE1 GLN A 17 -10.520 3.740 10.563 1.00 0.00 O ATOM 241 NE2 GLN A 17 -11.572 2.297 11.923 1.00 0.00 N ATOM 0 H GLN A 17 -9.524 1.649 9.749 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.577 0.017 9.308 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.856 2.691 8.116 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -12.325 1.896 7.586 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -12.952 3.358 9.355 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -13.030 1.734 10.007 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -12.313 1.606 12.036 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.964 2.526 12.709 1.00 0.00 H new ATOM 250 N LEU A 18 -9.835 0.204 6.521 1.00 0.00 N ATOM 251 CA LEU A 18 -9.620 -0.432 5.226 1.00 0.00 C ATOM 252 C LEU A 18 -9.167 -1.878 5.398 1.00 0.00 C ATOM 253 O LEU A 18 -9.800 -2.803 4.886 1.00 0.00 O ATOM 254 CB LEU A 18 -8.580 0.347 4.419 1.00 0.00 C ATOM 255 CG LEU A 18 -8.995 1.747 3.965 1.00 0.00 C ATOM 256 CD1 LEU A 18 -7.893 2.387 3.134 1.00 0.00 C ATOM 257 CD2 LEU A 18 -10.294 1.688 3.175 1.00 0.00 C ATOM 0 H LEU A 18 -9.146 0.917 6.760 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.567 -0.429 4.686 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.675 0.435 5.020 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.322 -0.238 3.536 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.159 2.362 4.850 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.206 3.383 2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.985 2.464 3.732 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.698 1.774 2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.574 2.693 2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.157 1.057 2.297 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.082 1.271 3.802 1.00 0.00 H new ATOM 269 N LEU A 19 -8.070 -2.067 6.122 1.00 0.00 N ATOM 270 CA LEU A 19 -7.533 -3.402 6.364 1.00 0.00 C ATOM 271 C LEU A 19 -8.649 -4.385 6.703 1.00 0.00 C ATOM 272 O LEU A 19 -8.765 -5.444 6.086 1.00 0.00 O ATOM 273 CB LEU A 19 -6.510 -3.363 7.501 1.00 0.00 C ATOM 274 CG LEU A 19 -5.056 -3.134 7.088 1.00 0.00 C ATOM 275 CD1 LEU A 19 -4.692 -4.018 5.905 1.00 0.00 C ATOM 276 CD2 LEU A 19 -4.821 -1.668 6.753 1.00 0.00 C ATOM 0 H LEU A 19 -7.534 -1.313 6.552 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.041 -3.740 5.452 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.798 -2.574 8.195 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.568 -4.305 8.047 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.414 -3.402 7.927 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.654 -3.841 5.625 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.821 -5.065 6.180 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.341 -3.782 5.061 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.781 -1.524 6.461 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.473 -1.374 5.930 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.041 -1.055 7.627 1.00 0.00 H new ATOM 288 N SER A 20 -9.469 -4.025 7.685 1.00 0.00 N ATOM 289 CA SER A 20 -10.576 -4.876 8.107 1.00 0.00 C ATOM 290 C SER A 20 -11.325 -5.431 6.899 1.00 0.00 C ATOM 291 O SER A 20 -11.706 -6.602 6.875 1.00 0.00 O ATOM 292 CB SER A 20 -11.538 -4.093 9.002 1.00 0.00 C ATOM 293 OG SER A 20 -12.352 -4.967 9.764 1.00 0.00 O ATOM 0 H SER A 20 -9.388 -3.150 8.203 1.00 0.00 H new ATOM 0 HA SER A 20 -10.164 -5.711 8.673 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.971 -3.444 9.670 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.167 -3.448 8.388 1.00 0.00 H new ATOM 0 HG SER A 20 -12.957 -4.442 10.329 1.00 0.00 H new ATOM 299 N ASP A 21 -11.534 -4.582 5.899 1.00 0.00 N ATOM 300 CA ASP A 21 -12.237 -4.986 4.687 1.00 0.00 C ATOM 301 C ASP A 21 -11.259 -5.518 3.644 1.00 0.00 C ATOM 302 O ASP A 21 -10.398 -4.786 3.155 1.00 0.00 O ATOM 303 CB ASP A 21 -13.024 -3.807 4.112 1.00 0.00 C ATOM 304 CG ASP A 21 -14.161 -3.374 5.016 1.00 0.00 C ATOM 305 OD1 ASP A 21 -13.892 -2.667 6.009 1.00 0.00 O ATOM 306 OD2 ASP A 21 -15.320 -3.744 4.731 1.00 0.00 O ATOM 0 H ASP A 21 -11.227 -3.609 5.904 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.932 -5.784 4.948 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.349 -2.966 3.954 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.424 -4.082 3.136 1.00 0.00 H new ATOM 311 N SER A 22 -11.398 -6.796 3.308 1.00 0.00 N ATOM 312 CA SER A 22 -10.524 -7.428 2.326 1.00 0.00 C ATOM 313 C SER A 22 -10.707 -6.796 0.949 1.00 0.00 C ATOM 314 O SER A 22 -9.744 -6.623 0.201 1.00 0.00 O ATOM 315 CB SER A 22 -10.807 -8.930 2.251 1.00 0.00 C ATOM 316 OG SER A 22 -12.129 -9.178 1.806 1.00 0.00 O ATOM 0 H SER A 22 -12.107 -7.415 3.701 1.00 0.00 H new ATOM 0 HA SER A 22 -9.492 -7.275 2.643 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.097 -9.404 1.573 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.660 -9.380 3.233 1.00 0.00 H new ATOM 0 HG SER A 22 -12.284 -10.145 1.765 1.00 0.00 H new ATOM 322 N ARG A 23 -11.948 -6.453 0.623 1.00 0.00 N ATOM 323 CA ARG A 23 -12.259 -5.841 -0.664 1.00 0.00 C ATOM 324 C ARG A 23 -11.278 -4.715 -0.981 1.00 0.00 C ATOM 325 O ARG A 23 -11.111 -4.333 -2.139 1.00 0.00 O ATOM 326 CB ARG A 23 -13.690 -5.300 -0.663 1.00 0.00 C ATOM 327 CG ARG A 23 -14.751 -6.385 -0.752 1.00 0.00 C ATOM 328 CD ARG A 23 -16.153 -5.797 -0.725 1.00 0.00 C ATOM 329 NE ARG A 23 -16.370 -4.852 -1.817 1.00 0.00 N ATOM 330 CZ ARG A 23 -17.574 -4.497 -2.253 1.00 0.00 C ATOM 331 NH1 ARG A 23 -18.663 -5.005 -1.691 1.00 0.00 N ATOM 332 NH2 ARG A 23 -17.691 -3.631 -3.252 1.00 0.00 N ATOM 0 H ARG A 23 -12.755 -6.588 1.232 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.168 -6.607 -1.434 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.850 -4.721 0.246 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.811 -4.615 -1.502 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.613 -6.956 -1.670 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.631 -7.081 0.078 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.885 -6.602 -0.791 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -16.317 -5.294 0.228 1.00 0.00 H new ATOM 0 HE ARG A 23 -15.553 -4.442 -2.270 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -18.577 -5.670 -0.922 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -19.586 -4.731 -2.028 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -16.856 -3.237 -3.686 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -18.616 -3.359 -3.586 1.00 0.00 H new ATOM 346 N TYR A 24 -10.635 -4.189 0.055 1.00 0.00 N ATOM 347 CA TYR A 24 -9.673 -3.106 -0.113 1.00 0.00 C ATOM 348 C TYR A 24 -8.245 -3.612 0.066 1.00 0.00 C ATOM 349 O TYR A 24 -7.382 -2.898 0.575 1.00 0.00 O ATOM 350 CB TYR A 24 -9.958 -1.985 0.888 1.00 0.00 C ATOM 351 CG TYR A 24 -11.372 -1.454 0.818 1.00 0.00 C ATOM 352 CD1 TYR A 24 -12.459 -2.283 1.068 1.00 0.00 C ATOM 353 CD2 TYR A 24 -11.621 -0.125 0.500 1.00 0.00 C ATOM 354 CE1 TYR A 24 -13.752 -1.803 1.004 1.00 0.00 C ATOM 355 CE2 TYR A 24 -12.911 0.364 0.436 1.00 0.00 C ATOM 356 CZ TYR A 24 -13.974 -0.478 0.688 1.00 0.00 C ATOM 357 OH TYR A 24 -15.261 0.005 0.623 1.00 0.00 O ATOM 0 H TYR A 24 -10.762 -4.495 1.020 1.00 0.00 H new ATOM 0 HA TYR A 24 -9.776 -2.716 -1.126 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -9.767 -2.353 1.896 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.262 -1.165 0.710 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -12.289 -3.320 1.317 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.792 0.537 0.299 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.586 -2.461 1.200 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -13.087 1.401 0.190 1.00 0.00 H new ATOM 0 HH TYR A 24 -15.242 0.957 0.390 1.00 0.00 H new ATOM 367 N GLU A 25 -8.005 -4.849 -0.358 1.00 0.00 N ATOM 368 CA GLU A 25 -6.682 -5.451 -0.246 1.00 0.00 C ATOM 369 C GLU A 25 -5.746 -4.914 -1.324 1.00 0.00 C ATOM 370 O GLU A 25 -4.671 -4.397 -1.026 1.00 0.00 O ATOM 371 CB GLU A 25 -6.780 -6.975 -0.352 1.00 0.00 C ATOM 372 CG GLU A 25 -6.997 -7.666 0.983 1.00 0.00 C ATOM 373 CD GLU A 25 -7.229 -9.157 0.838 1.00 0.00 C ATOM 374 OE1 GLU A 25 -7.624 -9.591 -0.265 1.00 0.00 O ATOM 375 OE2 GLU A 25 -7.015 -9.891 1.825 1.00 0.00 O ATOM 0 H GLU A 25 -8.709 -5.453 -0.782 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.273 -5.187 0.729 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.601 -7.232 -1.022 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.866 -7.359 -0.806 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.129 -7.498 1.620 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.853 -7.216 1.486 1.00 0.00 H new ATOM 382 N ASN A 26 -6.164 -5.042 -2.580 1.00 0.00 N ATOM 383 CA ASN A 26 -5.363 -4.571 -3.704 1.00 0.00 C ATOM 384 C ASN A 26 -4.750 -3.207 -3.400 1.00 0.00 C ATOM 385 O ASN A 26 -3.631 -2.911 -3.821 1.00 0.00 O ATOM 386 CB ASN A 26 -6.221 -4.487 -4.968 1.00 0.00 C ATOM 387 CG ASN A 26 -7.029 -5.748 -5.203 1.00 0.00 C ATOM 388 OD1 ASN A 26 -7.936 -6.070 -4.435 1.00 0.00 O ATOM 389 ND2 ASN A 26 -6.703 -6.470 -6.269 1.00 0.00 N ATOM 0 H ASN A 26 -7.052 -5.468 -2.844 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.555 -5.284 -3.868 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.897 -3.635 -4.889 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.578 -4.305 -5.829 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -7.212 -7.329 -6.478 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.944 -6.165 -6.879 1.00 0.00 H new ATOM 396 N PHE A 27 -5.489 -2.382 -2.667 1.00 0.00 N ATOM 397 CA PHE A 27 -5.018 -1.049 -2.308 1.00 0.00 C ATOM 398 C PHE A 27 -4.104 -1.106 -1.087 1.00 0.00 C ATOM 399 O PHE A 27 -3.080 -0.426 -1.033 1.00 0.00 O ATOM 400 CB PHE A 27 -6.204 -0.124 -2.028 1.00 0.00 C ATOM 401 CG PHE A 27 -7.054 0.143 -3.237 1.00 0.00 C ATOM 402 CD1 PHE A 27 -6.634 1.033 -4.212 1.00 0.00 C ATOM 403 CD2 PHE A 27 -8.273 -0.495 -3.399 1.00 0.00 C ATOM 404 CE1 PHE A 27 -7.414 1.282 -5.327 1.00 0.00 C ATOM 405 CE2 PHE A 27 -9.056 -0.252 -4.511 1.00 0.00 C ATOM 406 CZ PHE A 27 -8.627 0.639 -5.476 1.00 0.00 C ATOM 0 H PHE A 27 -6.416 -2.612 -2.310 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.448 -0.653 -3.149 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.824 -0.567 -1.248 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.832 0.824 -1.639 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.686 1.539 -4.100 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.615 -1.191 -2.647 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.075 1.978 -6.080 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -10.003 -0.758 -4.626 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.239 0.832 -6.345 1.00 0.00 H new ATOM 416 N ILE A 28 -4.484 -1.922 -0.109 1.00 0.00 N ATOM 417 CA ILE A 28 -3.699 -2.069 1.111 1.00 0.00 C ATOM 418 C ILE A 28 -4.027 -3.378 1.821 1.00 0.00 C ATOM 419 O ILE A 28 -5.195 -3.727 1.993 1.00 0.00 O ATOM 420 CB ILE A 28 -3.942 -0.897 2.080 1.00 0.00 C ATOM 421 CG1 ILE A 28 -3.132 -1.092 3.363 1.00 0.00 C ATOM 422 CG2 ILE A 28 -5.425 -0.770 2.398 1.00 0.00 C ATOM 423 CD1 ILE A 28 -2.907 0.188 4.137 1.00 0.00 C ATOM 0 H ILE A 28 -5.330 -2.491 -0.138 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.650 -2.073 0.814 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.613 0.025 1.601 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.648 -1.808 4.003 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.166 -1.529 3.110 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.580 0.063 3.084 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.980 -0.590 1.478 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.778 -1.692 2.861 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.326 -0.027 5.034 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.364 0.899 3.514 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.869 0.615 4.421 1.00 0.00 H new ATOM 435 N ARG A 29 -2.988 -4.097 2.233 1.00 0.00 N ATOM 436 CA ARG A 29 -3.165 -5.367 2.926 1.00 0.00 C ATOM 437 C ARG A 29 -2.282 -5.436 4.168 1.00 0.00 C ATOM 438 O ARG A 29 -1.453 -4.557 4.402 1.00 0.00 O ATOM 439 CB ARG A 29 -2.839 -6.532 1.990 1.00 0.00 C ATOM 440 CG ARG A 29 -1.467 -6.430 1.344 1.00 0.00 C ATOM 441 CD ARG A 29 -1.414 -7.182 0.024 1.00 0.00 C ATOM 442 NE ARG A 29 -1.669 -8.609 0.197 1.00 0.00 N ATOM 443 CZ ARG A 29 -0.747 -9.476 0.602 1.00 0.00 C ATOM 444 NH1 ARG A 29 0.482 -9.062 0.875 1.00 0.00 N ATOM 445 NH2 ARG A 29 -1.056 -10.760 0.735 1.00 0.00 N ATOM 0 H ARG A 29 -2.015 -3.822 2.099 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.207 -5.441 3.238 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.899 -7.465 2.551 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.597 -6.581 1.208 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.220 -5.382 1.177 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.714 -6.831 2.022 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.150 -6.763 -0.662 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.435 -7.042 -0.434 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.606 -8.959 -0.004 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.722 -8.076 0.774 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.188 -9.730 1.186 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.001 -11.081 0.526 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.348 -11.425 1.046 1.00 0.00 H new ATOM 459 N TRP A 30 -2.467 -6.486 4.961 1.00 0.00 N ATOM 460 CA TRP A 30 -1.687 -6.670 6.180 1.00 0.00 C ATOM 461 C TRP A 30 -0.341 -7.317 5.873 1.00 0.00 C ATOM 462 O TRP A 30 -0.284 -8.433 5.358 1.00 0.00 O ATOM 463 CB TRP A 30 -2.463 -7.526 7.182 1.00 0.00 C ATOM 464 CG TRP A 30 -3.435 -6.740 8.008 1.00 0.00 C ATOM 465 CD1 TRP A 30 -4.793 -6.888 8.039 1.00 0.00 C ATOM 466 CD2 TRP A 30 -3.124 -5.682 8.921 1.00 0.00 C ATOM 467 NE1 TRP A 30 -5.344 -5.985 8.916 1.00 0.00 N ATOM 468 CE2 TRP A 30 -4.342 -5.235 9.471 1.00 0.00 C ATOM 469 CE3 TRP A 30 -1.936 -5.070 9.330 1.00 0.00 C ATOM 470 CZ2 TRP A 30 -4.403 -4.205 10.406 1.00 0.00 C ATOM 471 CZ3 TRP A 30 -1.998 -4.048 10.257 1.00 0.00 C ATOM 472 CH2 TRP A 30 -3.224 -3.624 10.788 1.00 0.00 C ATOM 0 H TRP A 30 -3.150 -7.222 4.782 1.00 0.00 H new ATOM 0 HA TRP A 30 -1.505 -5.688 6.617 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -3.002 -8.305 6.643 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -1.757 -8.027 7.844 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -5.351 -7.609 7.460 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -6.339 -5.889 9.120 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.986 -5.391 8.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -5.347 -3.876 10.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -1.086 -3.567 10.578 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -3.239 -2.823 11.513 1.00 0.00 H new ATOM 483 N GLU A 31 0.738 -6.611 6.194 1.00 0.00 N ATOM 484 CA GLU A 31 2.083 -7.119 5.951 1.00 0.00 C ATOM 485 C GLU A 31 2.513 -8.073 7.062 1.00 0.00 C ATOM 486 O GLU A 31 2.984 -9.179 6.797 1.00 0.00 O ATOM 487 CB GLU A 31 3.078 -5.961 5.844 1.00 0.00 C ATOM 488 CG GLU A 31 3.124 -5.324 4.466 1.00 0.00 C ATOM 489 CD GLU A 31 4.030 -6.072 3.507 1.00 0.00 C ATOM 490 OE1 GLU A 31 3.713 -7.234 3.177 1.00 0.00 O ATOM 491 OE2 GLU A 31 5.055 -5.496 3.087 1.00 0.00 O ATOM 0 H GLU A 31 0.707 -5.686 6.623 1.00 0.00 H new ATOM 0 HA GLU A 31 2.072 -7.667 5.009 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.817 -5.199 6.579 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.073 -6.323 6.101 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.116 -5.287 4.053 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.469 -4.294 4.557 1.00 0.00 H new ATOM 498 N ASP A 32 2.348 -7.636 8.306 1.00 0.00 N ATOM 499 CA ASP A 32 2.718 -8.449 9.458 1.00 0.00 C ATOM 500 C ASP A 32 1.623 -8.418 10.520 1.00 0.00 C ATOM 501 O ASP A 32 1.671 -7.617 11.453 1.00 0.00 O ATOM 502 CB ASP A 32 4.038 -7.958 10.054 1.00 0.00 C ATOM 503 CG ASP A 32 4.830 -9.074 10.705 1.00 0.00 C ATOM 504 OD1 ASP A 32 4.587 -9.356 11.897 1.00 0.00 O ATOM 505 OD2 ASP A 32 5.694 -9.664 10.024 1.00 0.00 O ATOM 0 H ASP A 32 1.960 -6.723 8.542 1.00 0.00 H new ATOM 0 HA ASP A 32 2.842 -9.478 9.120 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.639 -7.500 9.269 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.834 -7.183 10.793 1.00 0.00 H new ATOM 510 N LYS A 33 0.635 -9.294 10.370 1.00 0.00 N ATOM 511 CA LYS A 33 -0.472 -9.368 11.315 1.00 0.00 C ATOM 512 C LYS A 33 0.041 -9.487 12.746 1.00 0.00 C ATOM 513 O LYS A 33 -0.590 -9.000 13.683 1.00 0.00 O ATOM 514 CB LYS A 33 -1.374 -10.560 10.984 1.00 0.00 C ATOM 515 CG LYS A 33 -2.447 -10.244 9.957 1.00 0.00 C ATOM 516 CD LYS A 33 -3.723 -9.750 10.618 1.00 0.00 C ATOM 517 CE LYS A 33 -4.926 -9.919 9.703 1.00 0.00 C ATOM 518 NZ LYS A 33 -5.381 -11.335 9.640 1.00 0.00 N ATOM 0 H LYS A 33 0.579 -9.963 9.602 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.051 -8.448 11.231 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.758 -11.379 10.613 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.851 -10.909 11.900 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.078 -9.487 9.265 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.663 -11.136 9.369 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.890 -10.299 11.545 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.612 -8.699 10.885 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.743 -9.291 10.058 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.671 -9.575 8.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.279 -11.388 9.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.663 -11.909 9.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.519 -11.698 10.605 1.00 0.00 H new ATOM 532 N GLU A 34 1.189 -10.137 12.906 1.00 0.00 N ATOM 533 CA GLU A 34 1.786 -10.319 14.224 1.00 0.00 C ATOM 534 C GLU A 34 2.152 -8.974 14.846 1.00 0.00 C ATOM 535 O GLU A 34 1.938 -8.750 16.037 1.00 0.00 O ATOM 536 CB GLU A 34 3.031 -11.204 14.127 1.00 0.00 C ATOM 537 CG GLU A 34 2.734 -12.624 13.677 1.00 0.00 C ATOM 538 CD GLU A 34 3.967 -13.506 13.679 1.00 0.00 C ATOM 539 OE1 GLU A 34 4.767 -13.409 12.724 1.00 0.00 O ATOM 540 OE2 GLU A 34 4.133 -14.293 14.634 1.00 0.00 O ATOM 0 H GLU A 34 1.724 -10.546 12.140 1.00 0.00 H new ATOM 0 HA GLU A 34 1.051 -10.808 14.863 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.735 -10.751 13.430 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.521 -11.235 15.100 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.980 -13.059 14.333 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.309 -12.602 12.673 1.00 0.00 H new ATOM 547 N SER A 35 2.706 -8.083 14.030 1.00 0.00 N ATOM 548 CA SER A 35 3.107 -6.761 14.499 1.00 0.00 C ATOM 549 C SER A 35 2.204 -5.680 13.913 1.00 0.00 C ATOM 550 O SER A 35 2.604 -4.523 13.785 1.00 0.00 O ATOM 551 CB SER A 35 4.564 -6.484 14.125 1.00 0.00 C ATOM 552 OG SER A 35 5.427 -7.466 14.671 1.00 0.00 O ATOM 0 H SER A 35 2.888 -8.252 13.041 1.00 0.00 H new ATOM 0 HA SER A 35 3.009 -6.742 15.584 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.667 -6.468 13.040 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.855 -5.498 14.488 1.00 0.00 H new ATOM 0 HG SER A 35 6.352 -7.267 14.416 1.00 0.00 H new ATOM 558 N LYS A 36 0.983 -6.066 13.558 1.00 0.00 N ATOM 559 CA LYS A 36 0.021 -5.132 12.986 1.00 0.00 C ATOM 560 C LYS A 36 0.697 -4.198 11.987 1.00 0.00 C ATOM 561 O LYS A 36 0.495 -2.984 12.023 1.00 0.00 O ATOM 562 CB LYS A 36 -0.646 -4.313 14.094 1.00 0.00 C ATOM 563 CG LYS A 36 -1.825 -5.016 14.744 1.00 0.00 C ATOM 564 CD LYS A 36 -2.301 -4.277 15.983 1.00 0.00 C ATOM 565 CE LYS A 36 -1.472 -4.644 17.204 1.00 0.00 C ATOM 566 NZ LYS A 36 -0.297 -3.743 17.368 1.00 0.00 N ATOM 0 H LYS A 36 0.636 -7.020 13.657 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.740 -5.709 12.460 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.095 -4.081 14.859 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.984 -3.363 13.679 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.643 -5.093 14.028 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.540 -6.033 15.013 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.242 -3.202 15.812 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.349 -4.513 16.169 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.097 -4.592 18.096 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.129 -5.675 17.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.559 -4.221 17.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.450 -2.870 16.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.178 -3.508 18.374 1.00 0.00 H new ATOM 580 N ILE A 37 1.497 -4.773 11.095 1.00 0.00 N ATOM 581 CA ILE A 37 2.200 -3.992 10.085 1.00 0.00 C ATOM 582 C ILE A 37 1.452 -4.013 8.756 1.00 0.00 C ATOM 583 O ILE A 37 1.163 -5.078 8.211 1.00 0.00 O ATOM 584 CB ILE A 37 3.632 -4.516 9.864 1.00 0.00 C ATOM 585 CG1 ILE A 37 4.458 -4.360 11.142 1.00 0.00 C ATOM 586 CG2 ILE A 37 4.292 -3.781 8.707 1.00 0.00 C ATOM 587 CD1 ILE A 37 5.756 -5.136 11.120 1.00 0.00 C ATOM 0 H ILE A 37 1.674 -5.777 11.051 1.00 0.00 H new ATOM 0 HA ILE A 37 2.250 -2.968 10.455 1.00 0.00 H new ATOM 0 HB ILE A 37 3.581 -5.576 9.614 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.678 -3.304 11.296 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.862 -4.689 11.993 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.303 -4.162 8.563 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.712 -3.939 7.798 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.335 -2.715 8.930 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.290 -4.979 12.057 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.543 -6.198 10.997 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.372 -4.791 10.290 1.00 0.00 H new ATOM 599 N PHE A 38 1.143 -2.828 8.239 1.00 0.00 N ATOM 600 CA PHE A 38 0.430 -2.710 6.973 1.00 0.00 C ATOM 601 C PHE A 38 1.303 -2.038 5.917 1.00 0.00 C ATOM 602 O PHE A 38 2.413 -1.591 6.207 1.00 0.00 O ATOM 603 CB PHE A 38 -0.862 -1.912 7.164 1.00 0.00 C ATOM 604 CG PHE A 38 -0.670 -0.632 7.926 1.00 0.00 C ATOM 605 CD1 PHE A 38 -0.308 -0.654 9.263 1.00 0.00 C ATOM 606 CD2 PHE A 38 -0.850 0.593 7.305 1.00 0.00 C ATOM 607 CE1 PHE A 38 -0.131 0.522 9.967 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.674 1.773 8.003 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.313 1.737 9.335 1.00 0.00 C ATOM 0 H PHE A 38 1.375 -1.937 8.677 1.00 0.00 H new ATOM 0 HA PHE A 38 0.183 -3.714 6.629 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.286 -1.683 6.186 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.588 -2.532 7.689 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.162 -1.601 9.761 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.131 0.627 6.263 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.149 0.491 11.010 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.819 2.722 7.507 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.173 2.657 9.882 1.00 0.00 H new ATOM 619 N ARG A 39 0.794 -1.972 4.691 1.00 0.00 N ATOM 620 CA ARG A 39 1.527 -1.358 3.591 1.00 0.00 C ATOM 621 C ARG A 39 0.579 -0.938 2.472 1.00 0.00 C ATOM 622 O ARG A 39 -0.247 -1.730 2.016 1.00 0.00 O ATOM 623 CB ARG A 39 2.579 -2.326 3.047 1.00 0.00 C ATOM 624 CG ARG A 39 3.237 -1.852 1.762 1.00 0.00 C ATOM 625 CD ARG A 39 3.662 -3.022 0.889 1.00 0.00 C ATOM 626 NE ARG A 39 2.528 -3.860 0.506 1.00 0.00 N ATOM 627 CZ ARG A 39 2.531 -4.661 -0.553 1.00 0.00 C ATOM 628 NH1 ARG A 39 3.603 -4.734 -1.331 1.00 0.00 N ATOM 629 NH2 ARG A 39 1.461 -5.393 -0.836 1.00 0.00 N ATOM 0 H ARG A 39 -0.124 -2.336 4.435 1.00 0.00 H new ATOM 0 HA ARG A 39 2.026 -0.468 3.973 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.348 -2.477 3.805 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.112 -3.295 2.870 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.544 -1.218 1.210 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.107 -1.241 2.002 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.153 -2.645 -0.008 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.395 -3.626 1.424 1.00 0.00 H new ATOM 0 HE ARG A 39 1.688 -3.828 1.084 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.428 -4.174 -1.116 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.602 -5.350 -2.144 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.635 -5.341 -0.240 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.464 -6.008 -1.650 1.00 0.00 H new ATOM 643 N ILE A 40 0.702 0.311 2.036 1.00 0.00 N ATOM 644 CA ILE A 40 -0.144 0.834 0.971 1.00 0.00 C ATOM 645 C ILE A 40 0.284 0.292 -0.388 1.00 0.00 C ATOM 646 O ILE A 40 1.199 0.820 -1.019 1.00 0.00 O ATOM 647 CB ILE A 40 -0.110 2.373 0.930 1.00 0.00 C ATOM 648 CG1 ILE A 40 -0.920 2.954 2.092 1.00 0.00 C ATOM 649 CG2 ILE A 40 -0.645 2.880 -0.401 1.00 0.00 C ATOM 650 CD1 ILE A 40 -0.815 4.458 2.209 1.00 0.00 C ATOM 0 H ILE A 40 1.379 0.979 2.404 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.161 0.506 1.187 1.00 0.00 H new ATOM 0 HB ILE A 40 0.924 2.701 1.032 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.967 2.680 1.967 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.581 2.501 3.023 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.614 3.969 -0.414 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.031 2.490 -1.212 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.674 2.544 -0.531 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.414 4.800 3.053 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.226 4.739 2.365 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.182 4.921 1.293 1.00 0.00 H new ATOM 662 N VAL A 41 -0.385 -0.767 -0.834 1.00 0.00 N ATOM 663 CA VAL A 41 -0.076 -1.380 -2.120 1.00 0.00 C ATOM 664 C VAL A 41 -0.040 -0.338 -3.232 1.00 0.00 C ATOM 665 O VAL A 41 0.877 -0.322 -4.054 1.00 0.00 O ATOM 666 CB VAL A 41 -1.104 -2.468 -2.485 1.00 0.00 C ATOM 667 CG1 VAL A 41 -0.773 -3.084 -3.836 1.00 0.00 C ATOM 668 CG2 VAL A 41 -1.156 -3.535 -1.402 1.00 0.00 C ATOM 0 H VAL A 41 -1.144 -1.218 -0.323 1.00 0.00 H new ATOM 0 HA VAL A 41 0.908 -1.838 -2.023 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.088 -2.005 -2.555 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.510 -3.850 -4.077 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.791 -2.310 -4.603 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.219 -3.534 -3.797 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.887 -4.296 -1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.174 -3.996 -1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.444 -3.079 -0.455 1.00 0.00 H new ATOM 678 N ASP A 42 -1.043 0.533 -3.252 1.00 0.00 N ATOM 679 CA ASP A 42 -1.127 1.581 -4.262 1.00 0.00 C ATOM 680 C ASP A 42 -1.598 2.894 -3.645 1.00 0.00 C ATOM 681 O ASP A 42 -2.773 3.070 -3.321 1.00 0.00 O ATOM 682 CB ASP A 42 -2.076 1.162 -5.386 1.00 0.00 C ATOM 683 CG ASP A 42 -1.728 1.814 -6.710 1.00 0.00 C ATOM 684 OD1 ASP A 42 -1.369 3.009 -6.706 1.00 0.00 O ATOM 685 OD2 ASP A 42 -1.817 1.128 -7.750 1.00 0.00 O ATOM 0 H ASP A 42 -1.810 0.534 -2.579 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.130 1.732 -4.676 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.045 0.078 -5.499 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.098 1.425 -5.112 1.00 0.00 H new ATOM 690 N PRO A 43 -0.661 3.839 -3.476 1.00 0.00 N ATOM 691 CA PRO A 43 -0.957 5.153 -2.896 1.00 0.00 C ATOM 692 C PRO A 43 -1.802 6.019 -3.823 1.00 0.00 C ATOM 693 O PRO A 43 -2.614 6.823 -3.367 1.00 0.00 O ATOM 694 CB PRO A 43 0.429 5.774 -2.700 1.00 0.00 C ATOM 695 CG PRO A 43 1.293 5.098 -3.707 1.00 0.00 C ATOM 696 CD PRO A 43 0.759 3.698 -3.839 1.00 0.00 C ATOM 0 HA PRO A 43 -1.537 5.071 -1.977 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.406 6.852 -2.858 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.797 5.609 -1.688 1.00 0.00 H new ATOM 0 HG2 PRO A 43 1.259 5.620 -4.663 1.00 0.00 H new ATOM 0 HG3 PRO A 43 2.334 5.090 -3.385 1.00 0.00 H new ATOM 0 HD2 PRO A 43 0.879 3.316 -4.853 1.00 0.00 H new ATOM 0 HD3 PRO A 43 1.277 3.006 -3.175 1.00 0.00 H new ATOM 704 N ASN A 44 -1.607 5.847 -5.127 1.00 0.00 N ATOM 705 CA ASN A 44 -2.353 6.614 -6.118 1.00 0.00 C ATOM 706 C ASN A 44 -3.847 6.321 -6.022 1.00 0.00 C ATOM 707 O ASN A 44 -4.675 7.225 -6.121 1.00 0.00 O ATOM 708 CB ASN A 44 -1.848 6.293 -7.526 1.00 0.00 C ATOM 709 CG ASN A 44 -2.156 7.399 -8.517 1.00 0.00 C ATOM 710 OD1 ASN A 44 -2.568 8.494 -8.134 1.00 0.00 O ATOM 711 ND2 ASN A 44 -1.956 7.117 -9.799 1.00 0.00 N ATOM 0 H ASN A 44 -0.940 5.184 -5.521 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.196 7.673 -5.915 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.771 6.127 -7.494 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.303 5.364 -7.869 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.145 7.822 -10.512 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.613 6.196 -10.071 1.00 0.00 H new ATOM 718 N GLY A 45 -4.184 5.050 -5.826 1.00 0.00 N ATOM 719 CA GLY A 45 -5.577 4.659 -5.719 1.00 0.00 C ATOM 720 C GLY A 45 -6.098 4.754 -4.299 1.00 0.00 C ATOM 721 O GLY A 45 -7.280 5.023 -4.079 1.00 0.00 O ATOM 0 H GLY A 45 -3.516 4.284 -5.739 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.180 5.294 -6.367 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.693 3.636 -6.078 1.00 0.00 H new ATOM 725 N LEU A 46 -5.216 4.530 -3.331 1.00 0.00 N ATOM 726 CA LEU A 46 -5.593 4.590 -1.923 1.00 0.00 C ATOM 727 C LEU A 46 -5.950 6.016 -1.515 1.00 0.00 C ATOM 728 O LEU A 46 -7.016 6.262 -0.951 1.00 0.00 O ATOM 729 CB LEU A 46 -4.454 4.066 -1.046 1.00 0.00 C ATOM 730 CG LEU A 46 -4.830 3.684 0.386 1.00 0.00 C ATOM 731 CD1 LEU A 46 -5.539 4.838 1.078 1.00 0.00 C ATOM 732 CD2 LEU A 46 -5.703 2.438 0.393 1.00 0.00 C ATOM 0 H LEU A 46 -4.235 4.305 -3.495 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.471 3.960 -1.781 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.021 3.192 -1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.674 4.827 -1.005 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.915 3.465 0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.799 4.547 2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.880 5.706 1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.447 5.089 0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.961 2.180 1.420 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.615 2.629 -0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.160 1.610 -0.063 1.00 0.00 H new ATOM 744 N ALA A 47 -5.052 6.951 -1.805 1.00 0.00 N ATOM 745 CA ALA A 47 -5.274 8.353 -1.472 1.00 0.00 C ATOM 746 C ALA A 47 -6.663 8.807 -1.908 1.00 0.00 C ATOM 747 O ALA A 47 -7.396 9.424 -1.135 1.00 0.00 O ATOM 748 CB ALA A 47 -4.205 9.224 -2.116 1.00 0.00 C ATOM 0 H ALA A 47 -4.164 6.763 -2.270 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.209 8.459 -0.389 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.383 10.268 -1.859 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.223 8.923 -1.752 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.243 9.105 -3.199 1.00 0.00 H new ATOM 754 N ARG A 48 -7.018 8.500 -3.152 1.00 0.00 N ATOM 755 CA ARG A 48 -8.318 8.879 -3.691 1.00 0.00 C ATOM 756 C ARG A 48 -9.420 8.656 -2.659 1.00 0.00 C ATOM 757 O ARG A 48 -10.187 9.568 -2.347 1.00 0.00 O ATOM 758 CB ARG A 48 -8.622 8.078 -4.958 1.00 0.00 C ATOM 759 CG ARG A 48 -7.865 8.566 -6.183 1.00 0.00 C ATOM 760 CD ARG A 48 -8.382 7.912 -7.455 1.00 0.00 C ATOM 761 NE ARG A 48 -7.387 7.930 -8.523 1.00 0.00 N ATOM 762 CZ ARG A 48 -7.084 9.016 -9.226 1.00 0.00 C ATOM 763 NH1 ARG A 48 -7.695 10.165 -8.974 1.00 0.00 N ATOM 764 NH2 ARG A 48 -6.167 8.953 -10.183 1.00 0.00 N ATOM 0 H ARG A 48 -6.423 7.990 -3.805 1.00 0.00 H new ATOM 0 HA ARG A 48 -8.285 9.940 -3.939 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -8.377 7.030 -4.783 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.692 8.125 -5.160 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.962 9.649 -6.264 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.803 8.348 -6.066 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -8.667 6.882 -7.243 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -9.281 8.429 -7.789 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.898 7.062 -8.741 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -8.400 10.217 -8.239 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.460 10.997 -9.515 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -5.694 8.071 -10.379 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.935 9.787 -10.722 1.00 0.00 H new ATOM 778 N LEU A 49 -9.494 7.438 -2.134 1.00 0.00 N ATOM 779 CA LEU A 49 -10.503 7.094 -1.138 1.00 0.00 C ATOM 780 C LEU A 49 -10.487 8.089 0.018 1.00 0.00 C ATOM 781 O LEU A 49 -11.534 8.580 0.442 1.00 0.00 O ATOM 782 CB LEU A 49 -10.266 5.678 -0.610 1.00 0.00 C ATOM 783 CG LEU A 49 -10.192 4.573 -1.665 1.00 0.00 C ATOM 784 CD1 LEU A 49 -9.383 3.394 -1.147 1.00 0.00 C ATOM 785 CD2 LEU A 49 -11.590 4.126 -2.067 1.00 0.00 C ATOM 0 H LEU A 49 -8.867 6.672 -2.381 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.481 7.137 -1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.335 5.674 -0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.066 5.433 0.088 1.00 0.00 H new ATOM 0 HG LEU A 49 -9.691 4.972 -2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -9.341 2.618 -1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.372 3.723 -0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.856 2.995 -0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -11.519 3.340 -2.818 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -12.116 3.745 -1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -12.138 4.973 -2.479 1.00 0.00 H new ATOM 797 N TRP A 50 -9.295 8.383 0.523 1.00 0.00 N ATOM 798 CA TRP A 50 -9.143 9.322 1.629 1.00 0.00 C ATOM 799 C TRP A 50 -9.638 10.710 1.237 1.00 0.00 C ATOM 800 O TRP A 50 -10.305 11.385 2.020 1.00 0.00 O ATOM 801 CB TRP A 50 -7.679 9.394 2.066 1.00 0.00 C ATOM 802 CG TRP A 50 -7.357 10.621 2.863 1.00 0.00 C ATOM 803 CD1 TRP A 50 -6.735 11.751 2.413 1.00 0.00 C ATOM 804 CD2 TRP A 50 -7.639 10.842 4.250 1.00 0.00 C ATOM 805 NE1 TRP A 50 -6.613 12.660 3.436 1.00 0.00 N ATOM 806 CE2 TRP A 50 -7.161 12.127 4.573 1.00 0.00 C ATOM 807 CE3 TRP A 50 -8.251 10.080 5.248 1.00 0.00 C ATOM 808 CZ2 TRP A 50 -7.275 12.663 5.853 1.00 0.00 C ATOM 809 CZ3 TRP A 50 -8.363 10.613 6.518 1.00 0.00 C ATOM 810 CH2 TRP A 50 -7.879 11.895 6.811 1.00 0.00 C ATOM 0 H TRP A 50 -8.419 7.985 0.185 1.00 0.00 H new ATOM 0 HA TRP A 50 -9.747 8.964 2.463 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -7.441 8.511 2.659 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.042 9.366 1.182 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -6.390 11.907 1.402 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -6.184 13.582 3.361 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -8.630 9.092 5.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -6.900 13.650 6.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -8.832 10.032 7.298 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -7.985 12.285 7.813 1.00 0.00 H new ATOM 821 N GLY A 51 -9.307 11.130 0.019 1.00 0.00 N ATOM 822 CA GLY A 51 -9.727 12.435 -0.454 1.00 0.00 C ATOM 823 C GLY A 51 -11.235 12.576 -0.506 1.00 0.00 C ATOM 824 O GLY A 51 -11.809 13.429 0.169 1.00 0.00 O ATOM 0 H GLY A 51 -8.756 10.589 -0.648 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.316 13.204 0.200 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.315 12.608 -1.448 1.00 0.00 H new ATOM 828 N ASN A 52 -11.878 11.737 -1.312 1.00 0.00 N ATOM 829 CA ASN A 52 -13.330 11.773 -1.451 1.00 0.00 C ATOM 830 C ASN A 52 -14.006 11.839 -0.086 1.00 0.00 C ATOM 831 O ASN A 52 -14.968 12.583 0.108 1.00 0.00 O ATOM 832 CB ASN A 52 -13.820 10.543 -2.217 1.00 0.00 C ATOM 833 CG ASN A 52 -15.132 10.793 -2.935 1.00 0.00 C ATOM 834 OD1 ASN A 52 -15.691 11.888 -2.866 1.00 0.00 O ATOM 835 ND2 ASN A 52 -15.631 9.776 -3.628 1.00 0.00 N ATOM 0 H ASN A 52 -11.417 11.025 -1.878 1.00 0.00 H new ATOM 0 HA ASN A 52 -13.594 12.670 -2.010 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -13.063 10.245 -2.943 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -13.942 9.711 -1.523 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.512 9.885 -4.131 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -15.134 8.886 -3.657 1.00 0.00 H new ATOM 842 N HIS A 53 -13.496 11.057 0.860 1.00 0.00 N ATOM 843 CA HIS A 53 -14.049 11.027 2.209 1.00 0.00 C ATOM 844 C HIS A 53 -14.193 12.439 2.768 1.00 0.00 C ATOM 845 O HIS A 53 -15.281 12.850 3.174 1.00 0.00 O ATOM 846 CB HIS A 53 -13.160 10.190 3.130 1.00 0.00 C ATOM 847 CG HIS A 53 -13.795 9.872 4.448 1.00 0.00 C ATOM 848 ND1 HIS A 53 -13.439 8.780 5.211 1.00 0.00 N ATOM 849 CD2 HIS A 53 -14.767 10.512 5.140 1.00 0.00 C ATOM 850 CE1 HIS A 53 -14.166 8.761 6.314 1.00 0.00 C ATOM 851 NE2 HIS A 53 -14.979 9.801 6.296 1.00 0.00 N ATOM 0 H HIS A 53 -12.700 10.435 0.717 1.00 0.00 H new ATOM 0 HA HIS A 53 -15.038 10.571 2.159 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -12.903 9.258 2.625 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -12.227 10.725 3.305 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -15.280 11.413 4.839 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -14.105 8.020 7.098 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -15.655 10.038 7.022 1.00 0.00 H new ATOM 860 N LYS A 54 -13.089 13.178 2.788 1.00 0.00 N ATOM 861 CA LYS A 54 -13.092 14.545 3.297 1.00 0.00 C ATOM 862 C LYS A 54 -13.530 15.527 2.216 1.00 0.00 C ATOM 863 O LYS A 54 -13.122 16.688 2.216 1.00 0.00 O ATOM 864 CB LYS A 54 -11.700 14.922 3.810 1.00 0.00 C ATOM 865 CG LYS A 54 -11.187 14.006 4.908 1.00 0.00 C ATOM 866 CD LYS A 54 -11.935 14.226 6.212 1.00 0.00 C ATOM 867 CE LYS A 54 -11.324 15.361 7.020 1.00 0.00 C ATOM 868 NZ LYS A 54 -12.232 15.819 8.108 1.00 0.00 N ATOM 0 H LYS A 54 -12.180 12.853 2.458 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.804 14.598 4.121 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.998 14.905 2.976 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.725 15.945 4.184 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.295 12.967 4.596 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.123 14.183 5.063 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.980 14.451 6.000 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.919 13.309 6.801 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.378 15.032 7.451 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.099 16.198 6.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.474 16.819 7.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.101 15.247 8.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.756 15.711 9.026 1.00 0.00 H new ATOM 882 N ASN A 55 -14.365 15.054 1.296 1.00 0.00 N ATOM 883 CA ASN A 55 -14.859 15.892 0.210 1.00 0.00 C ATOM 884 C ASN A 55 -13.725 16.700 -0.414 1.00 0.00 C ATOM 885 O ASN A 55 -13.902 17.867 -0.766 1.00 0.00 O ATOM 886 CB ASN A 55 -15.951 16.834 0.721 1.00 0.00 C ATOM 887 CG ASN A 55 -16.649 17.574 -0.404 1.00 0.00 C ATOM 888 OD1 ASN A 55 -16.835 17.035 -1.495 1.00 0.00 O ATOM 889 ND2 ASN A 55 -17.040 18.816 -0.142 1.00 0.00 N ATOM 0 H ASN A 55 -14.713 14.095 1.281 1.00 0.00 H new ATOM 0 HA ASN A 55 -15.280 15.240 -0.556 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -16.686 16.261 1.286 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -15.511 17.556 1.409 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -17.515 19.363 -0.860 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -16.865 19.223 0.777 1.00 0.00 H new ATOM 896 N ARG A 56 -12.562 16.072 -0.547 1.00 0.00 N ATOM 897 CA ARG A 56 -11.399 16.732 -1.127 1.00 0.00 C ATOM 898 C ARG A 56 -11.274 16.408 -2.612 1.00 0.00 C ATOM 899 O ARG A 56 -11.851 15.435 -3.098 1.00 0.00 O ATOM 900 CB ARG A 56 -10.126 16.307 -0.393 1.00 0.00 C ATOM 901 CG ARG A 56 -10.062 16.791 1.047 1.00 0.00 C ATOM 902 CD ARG A 56 -9.651 18.253 1.126 1.00 0.00 C ATOM 903 NE ARG A 56 -8.241 18.443 0.795 1.00 0.00 N ATOM 904 CZ ARG A 56 -7.804 18.714 -0.430 1.00 0.00 C ATOM 905 NH1 ARG A 56 -8.663 18.826 -1.434 1.00 0.00 N ATOM 906 NH2 ARG A 56 -6.506 18.874 -0.652 1.00 0.00 N ATOM 0 H ARG A 56 -12.400 15.106 -0.261 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.532 17.808 -1.017 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.056 15.219 -0.405 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.260 16.688 -0.934 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.035 16.660 1.520 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.352 16.182 1.606 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.266 18.840 0.444 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.842 18.630 2.131 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.555 18.363 1.545 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.662 18.704 -1.267 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.325 19.034 -2.374 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.843 18.789 0.118 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.171 19.082 -1.593 1.00 0.00 H new ATOM 920 N THR A 57 -10.518 17.232 -3.331 1.00 0.00 N ATOM 921 CA THR A 57 -10.319 17.035 -4.761 1.00 0.00 C ATOM 922 C THR A 57 -8.835 16.964 -5.106 1.00 0.00 C ATOM 923 O THR A 57 -8.013 17.644 -4.493 1.00 0.00 O ATOM 924 CB THR A 57 -10.971 18.165 -5.580 1.00 0.00 C ATOM 925 OG1 THR A 57 -12.337 18.330 -5.185 1.00 0.00 O ATOM 926 CG2 THR A 57 -10.901 17.863 -7.070 1.00 0.00 C ATOM 0 H THR A 57 -10.033 18.043 -2.946 1.00 0.00 H new ATOM 0 HA THR A 57 -10.795 16.089 -5.018 1.00 0.00 H new ATOM 0 HB THR A 57 -10.423 19.087 -5.386 1.00 0.00 H new ATOM 0 HG1 THR A 57 -12.744 19.051 -5.709 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.368 18.675 -7.628 1.00 0.00 H new ATOM 0 HG22 THR A 57 -9.858 17.767 -7.373 1.00 0.00 H new ATOM 0 HG23 THR A 57 -11.427 16.931 -7.277 1.00 0.00 H new ATOM 934 N ASN A 58 -8.500 16.137 -6.090 1.00 0.00 N ATOM 935 CA ASN A 58 -7.114 15.978 -6.516 1.00 0.00 C ATOM 936 C ASN A 58 -6.201 15.733 -5.318 1.00 0.00 C ATOM 937 O ASN A 58 -5.113 16.301 -5.228 1.00 0.00 O ATOM 938 CB ASN A 58 -6.648 17.219 -7.281 1.00 0.00 C ATOM 939 CG ASN A 58 -6.973 17.142 -8.760 1.00 0.00 C ATOM 940 OD1 ASN A 58 -7.534 16.153 -9.233 1.00 0.00 O ATOM 941 ND2 ASN A 58 -6.621 18.188 -9.498 1.00 0.00 N ATOM 0 H ASN A 58 -9.169 15.566 -6.608 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.060 15.111 -7.175 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -7.119 18.104 -6.854 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -5.572 17.338 -7.154 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -6.814 18.193 -10.500 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -6.158 18.986 -9.063 1.00 0.00 H new ATOM 948 N MET A 59 -6.653 14.883 -4.402 1.00 0.00 N ATOM 949 CA MET A 59 -5.876 14.561 -3.210 1.00 0.00 C ATOM 950 C MET A 59 -4.618 13.780 -3.576 1.00 0.00 C ATOM 951 O MET A 59 -4.683 12.770 -4.278 1.00 0.00 O ATOM 952 CB MET A 59 -6.724 13.754 -2.225 1.00 0.00 C ATOM 953 CG MET A 59 -5.922 13.157 -1.080 1.00 0.00 C ATOM 954 SD MET A 59 -5.230 14.415 0.012 1.00 0.00 S ATOM 955 CE MET A 59 -6.706 14.978 0.857 1.00 0.00 C ATOM 0 H MET A 59 -7.552 14.405 -4.462 1.00 0.00 H new ATOM 0 HA MET A 59 -5.576 15.497 -2.738 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.502 14.398 -1.816 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.226 12.950 -2.764 1.00 0.00 H new ATOM 0 HG2 MET A 59 -6.562 12.491 -0.501 1.00 0.00 H new ATOM 0 HG3 MET A 59 -5.114 12.549 -1.486 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.929 16.002 0.557 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.544 14.332 0.595 1.00 0.00 H new ATOM 0 HE3 MET A 59 -6.544 14.943 1.934 1.00 0.00 H new ATOM 965 N THR A 60 -3.472 14.253 -3.095 1.00 0.00 N ATOM 966 CA THR A 60 -2.199 13.600 -3.373 1.00 0.00 C ATOM 967 C THR A 60 -1.648 12.917 -2.126 1.00 0.00 C ATOM 968 O THR A 60 -1.800 13.420 -1.013 1.00 0.00 O ATOM 969 CB THR A 60 -1.156 14.604 -3.899 1.00 0.00 C ATOM 970 OG1 THR A 60 0.138 13.990 -3.937 1.00 0.00 O ATOM 971 CG2 THR A 60 -1.108 15.845 -3.020 1.00 0.00 C ATOM 0 H THR A 60 -3.400 15.086 -2.511 1.00 0.00 H new ATOM 0 HA THR A 60 -2.389 12.850 -4.141 1.00 0.00 H new ATOM 0 HB THR A 60 -1.447 14.903 -4.906 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.796 14.634 -4.274 1.00 0.00 H new ATOM 0 HG21 THR A 60 -0.364 16.539 -3.411 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.086 16.326 -3.015 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.839 15.560 -2.003 1.00 0.00 H new ATOM 979 N TYR A 61 -1.007 11.770 -2.320 1.00 0.00 N ATOM 980 CA TYR A 61 -0.434 11.018 -1.211 1.00 0.00 C ATOM 981 C TYR A 61 0.494 11.896 -0.378 1.00 0.00 C ATOM 982 O TYR A 61 0.547 11.776 0.845 1.00 0.00 O ATOM 983 CB TYR A 61 0.330 9.800 -1.733 1.00 0.00 C ATOM 984 CG TYR A 61 1.185 9.126 -0.684 1.00 0.00 C ATOM 985 CD1 TYR A 61 0.614 8.318 0.291 1.00 0.00 C ATOM 986 CD2 TYR A 61 2.564 9.297 -0.668 1.00 0.00 C ATOM 987 CE1 TYR A 61 1.391 7.701 1.252 1.00 0.00 C ATOM 988 CE2 TYR A 61 3.349 8.683 0.288 1.00 0.00 C ATOM 989 CZ TYR A 61 2.758 7.886 1.246 1.00 0.00 C ATOM 990 OH TYR A 61 3.536 7.273 2.201 1.00 0.00 O ATOM 0 H TYR A 61 -0.871 11.341 -3.235 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.252 10.680 -0.575 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.383 9.076 -2.128 1.00 0.00 H new ATOM 0 HB3 TYR A 61 0.965 10.108 -2.564 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.456 8.170 0.298 1.00 0.00 H new ATOM 0 HD2 TYR A 61 3.030 9.921 -1.416 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.931 7.077 2.004 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.419 8.826 0.285 1.00 0.00 H new ATOM 0 HH TYR A 61 4.477 7.505 2.055 1.00 0.00 H new ATOM 1000 N GLU A 62 1.224 12.780 -1.052 1.00 0.00 N ATOM 1001 CA GLU A 62 2.151 13.679 -0.375 1.00 0.00 C ATOM 1002 C GLU A 62 1.462 14.403 0.778 1.00 0.00 C ATOM 1003 O GLU A 62 1.962 14.419 1.903 1.00 0.00 O ATOM 1004 CB GLU A 62 2.721 14.698 -1.364 1.00 0.00 C ATOM 1005 CG GLU A 62 3.825 15.563 -0.777 1.00 0.00 C ATOM 1006 CD GLU A 62 5.201 14.953 -0.955 1.00 0.00 C ATOM 1007 OE1 GLU A 62 5.575 14.083 -0.142 1.00 0.00 O ATOM 1008 OE2 GLU A 62 5.905 15.346 -1.909 1.00 0.00 O ATOM 0 H GLU A 62 1.191 12.892 -2.065 1.00 0.00 H new ATOM 0 HA GLU A 62 2.967 13.081 0.030 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.109 14.169 -2.235 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.914 15.342 -1.715 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.803 16.545 -1.251 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.635 15.717 0.285 1.00 0.00 H new ATOM 1015 N LYS A 63 0.312 15.001 0.490 1.00 0.00 N ATOM 1016 CA LYS A 63 -0.448 15.727 1.502 1.00 0.00 C ATOM 1017 C LYS A 63 -1.115 14.762 2.477 1.00 0.00 C ATOM 1018 O LYS A 63 -1.668 15.178 3.495 1.00 0.00 O ATOM 1019 CB LYS A 63 -1.507 16.610 0.837 1.00 0.00 C ATOM 1020 CG LYS A 63 -0.926 17.650 -0.105 1.00 0.00 C ATOM 1021 CD LYS A 63 -2.014 18.515 -0.719 1.00 0.00 C ATOM 1022 CE LYS A 63 -1.479 19.350 -1.872 1.00 0.00 C ATOM 1023 NZ LYS A 63 -2.383 20.486 -2.202 1.00 0.00 N ATOM 0 H LYS A 63 -0.115 14.998 -0.436 1.00 0.00 H new ATOM 0 HA LYS A 63 0.245 16.358 2.059 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.200 15.977 0.283 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.085 17.115 1.611 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.221 18.280 0.437 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.365 17.153 -0.896 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.827 17.881 -1.074 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.432 19.172 0.044 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.492 19.735 -1.614 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.355 18.718 -2.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.982 21.030 -2.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.318 20.119 -2.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.481 21.104 -1.371 1.00 0.00 H new ATOM 1037 N MET A 64 -1.058 13.473 2.160 1.00 0.00 N ATOM 1038 CA MET A 64 -1.654 12.450 3.011 1.00 0.00 C ATOM 1039 C MET A 64 -0.665 11.981 4.073 1.00 0.00 C ATOM 1040 O MET A 64 -0.963 12.006 5.267 1.00 0.00 O ATOM 1041 CB MET A 64 -2.116 11.260 2.167 1.00 0.00 C ATOM 1042 CG MET A 64 -3.064 10.326 2.901 1.00 0.00 C ATOM 1043 SD MET A 64 -3.847 9.128 1.804 1.00 0.00 S ATOM 1044 CE MET A 64 -3.048 7.614 2.330 1.00 0.00 C ATOM 0 H MET A 64 -0.605 13.112 1.320 1.00 0.00 H new ATOM 0 HA MET A 64 -2.517 12.888 3.512 1.00 0.00 H new ATOM 0 HB2 MET A 64 -2.609 11.632 1.269 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.243 10.695 1.841 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.515 9.796 3.679 1.00 0.00 H new ATOM 0 HG3 MET A 64 -3.834 10.915 3.399 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.952 6.939 1.480 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.058 7.843 2.724 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.647 7.137 3.106 1.00 0.00 H new ATOM 1054 N SER A 65 0.514 11.555 3.630 1.00 0.00 N ATOM 1055 CA SER A 65 1.546 11.077 4.543 1.00 0.00 C ATOM 1056 C SER A 65 1.857 12.124 5.607 1.00 0.00 C ATOM 1057 O SER A 65 2.186 11.790 6.746 1.00 0.00 O ATOM 1058 CB SER A 65 2.818 10.725 3.769 1.00 0.00 C ATOM 1059 OG SER A 65 3.714 9.979 4.574 1.00 0.00 O ATOM 0 H SER A 65 0.778 11.531 2.645 1.00 0.00 H new ATOM 0 HA SER A 65 1.172 10.181 5.039 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.559 10.151 2.879 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.305 11.639 3.428 1.00 0.00 H new ATOM 0 HG SER A 65 4.518 9.765 4.056 1.00 0.00 H new ATOM 1065 N ARG A 66 1.752 13.394 5.228 1.00 0.00 N ATOM 1066 CA ARG A 66 2.023 14.491 6.148 1.00 0.00 C ATOM 1067 C ARG A 66 1.501 14.171 7.546 1.00 0.00 C ATOM 1068 O ARG A 66 2.128 14.513 8.548 1.00 0.00 O ATOM 1069 CB ARG A 66 1.383 15.784 5.637 1.00 0.00 C ATOM 1070 CG ARG A 66 2.276 16.573 4.694 1.00 0.00 C ATOM 1071 CD ARG A 66 3.152 17.560 5.451 1.00 0.00 C ATOM 1072 NE ARG A 66 2.505 18.860 5.604 1.00 0.00 N ATOM 1073 CZ ARG A 66 2.328 19.715 4.603 1.00 0.00 C ATOM 1074 NH1 ARG A 66 2.746 19.408 3.383 1.00 0.00 N ATOM 1075 NH2 ARG A 66 1.730 20.880 4.822 1.00 0.00 N ATOM 0 H ARG A 66 1.481 13.688 4.290 1.00 0.00 H new ATOM 0 HA ARG A 66 3.103 14.625 6.204 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.452 15.541 5.124 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.123 16.412 6.489 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.905 15.887 4.128 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.660 17.110 3.973 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.388 17.155 6.435 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.097 17.685 4.923 1.00 0.00 H new ATOM 0 HE ARG A 66 2.171 19.126 6.530 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.205 18.513 3.211 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.609 20.066 2.616 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.406 21.119 5.759 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.594 21.536 4.053 1.00 0.00 H new ATOM 1089 N ALA A 67 0.348 13.512 7.604 1.00 0.00 N ATOM 1090 CA ALA A 67 -0.258 13.145 8.878 1.00 0.00 C ATOM 1091 C ALA A 67 0.547 12.053 9.574 1.00 0.00 C ATOM 1092 O ALA A 67 1.135 12.280 10.633 1.00 0.00 O ATOM 1093 CB ALA A 67 -1.695 12.690 8.668 1.00 0.00 C ATOM 0 H ALA A 67 -0.185 13.222 6.784 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.257 14.026 9.519 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.135 12.419 9.628 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.271 13.500 8.220 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.710 11.825 8.005 1.00 0.00 H new ATOM 1099 N LEU A 68 0.571 10.868 8.974 1.00 0.00 N ATOM 1100 CA LEU A 68 1.305 9.740 9.537 1.00 0.00 C ATOM 1101 C LEU A 68 2.573 10.212 10.241 1.00 0.00 C ATOM 1102 O LEU A 68 2.916 9.722 11.318 1.00 0.00 O ATOM 1103 CB LEU A 68 1.661 8.738 8.438 1.00 0.00 C ATOM 1104 CG LEU A 68 0.514 7.864 7.929 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -0.408 7.473 9.074 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -0.263 8.586 6.838 1.00 0.00 C ATOM 0 H LEU A 68 0.091 10.663 8.098 1.00 0.00 H new ATOM 0 HA LEU A 68 0.664 9.252 10.271 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.075 9.288 7.593 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.451 8.086 8.811 1.00 0.00 H new ATOM 0 HG LEU A 68 0.937 6.954 7.504 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.218 6.851 8.693 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.156 6.915 9.821 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.824 8.372 9.529 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.075 7.949 6.488 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.675 9.513 7.237 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.404 8.814 6.006 1.00 0.00 H new ATOM 1118 N ARG A 69 3.264 11.167 9.628 1.00 0.00 N ATOM 1119 CA ARG A 69 4.493 11.706 10.196 1.00 0.00 C ATOM 1120 C ARG A 69 4.239 12.299 11.579 1.00 0.00 C ATOM 1121 O ARG A 69 4.697 11.764 12.589 1.00 0.00 O ATOM 1122 CB ARG A 69 5.082 12.773 9.272 1.00 0.00 C ATOM 1123 CG ARG A 69 5.921 12.203 8.140 1.00 0.00 C ATOM 1124 CD ARG A 69 7.380 12.061 8.545 1.00 0.00 C ATOM 1125 NE ARG A 69 8.070 13.348 8.568 1.00 0.00 N ATOM 1126 CZ ARG A 69 9.391 13.475 8.512 1.00 0.00 C ATOM 1127 NH1 ARG A 69 10.161 12.399 8.429 1.00 0.00 N ATOM 1128 NH2 ARG A 69 9.944 14.681 8.539 1.00 0.00 N ATOM 0 H ARG A 69 2.993 11.584 8.737 1.00 0.00 H new ATOM 0 HA ARG A 69 5.206 10.888 10.296 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.270 13.364 8.849 1.00 0.00 H new ATOM 0 HB3 ARG A 69 5.697 13.453 9.862 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.527 11.230 7.848 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.846 12.852 7.268 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.439 11.600 9.531 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.886 11.391 7.850 1.00 0.00 H new ATOM 0 HE ARG A 69 7.507 14.196 8.631 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.739 11.470 8.408 1.00 0.00 H new ATOM 0 HH12 ARG A 69 11.175 12.500 8.386 1.00 0.00 H new ATOM 0 HH21 ARG A 69 9.355 15.511 8.603 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.958 14.778 8.496 1.00 0.00 H new ATOM 1142 N HIS A 70 3.506 13.407 11.616 1.00 0.00 N ATOM 1143 CA HIS A 70 3.190 14.073 12.875 1.00 0.00 C ATOM 1144 C HIS A 70 2.915 13.052 13.975 1.00 0.00 C ATOM 1145 O HIS A 70 3.344 13.224 15.116 1.00 0.00 O ATOM 1146 CB HIS A 70 1.980 14.991 12.701 1.00 0.00 C ATOM 1147 CG HIS A 70 2.326 16.338 12.144 1.00 0.00 C ATOM 1148 ND1 HIS A 70 2.437 17.469 12.924 1.00 0.00 N ATOM 1149 CD2 HIS A 70 2.586 16.731 10.875 1.00 0.00 C ATOM 1150 CE1 HIS A 70 2.750 18.500 12.159 1.00 0.00 C ATOM 1151 NE2 HIS A 70 2.847 18.078 10.911 1.00 0.00 N ATOM 0 H HIS A 70 3.120 13.863 10.789 1.00 0.00 H new ATOM 0 HA HIS A 70 4.052 14.673 13.167 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.260 14.508 12.041 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.491 15.121 13.666 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.588 16.102 9.997 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.901 19.515 12.497 1.00 0.00 H new ATOM 0 HE2 HIS A 70 3.078 18.659 10.105 1.00 0.00 H new ATOM 1160 N TYR A 71 2.197 11.991 13.625 1.00 0.00 N ATOM 1161 CA TYR A 71 1.862 10.945 14.584 1.00 0.00 C ATOM 1162 C TYR A 71 3.114 10.202 15.039 1.00 0.00 C ATOM 1163 O TYR A 71 3.266 9.882 16.218 1.00 0.00 O ATOM 1164 CB TYR A 71 0.866 9.960 13.968 1.00 0.00 C ATOM 1165 CG TYR A 71 -0.498 10.559 13.713 1.00 0.00 C ATOM 1166 CD1 TYR A 71 -1.250 11.093 14.753 1.00 0.00 C ATOM 1167 CD2 TYR A 71 -1.037 10.590 12.433 1.00 0.00 C ATOM 1168 CE1 TYR A 71 -2.498 11.640 14.525 1.00 0.00 C ATOM 1169 CE2 TYR A 71 -2.283 11.137 12.195 1.00 0.00 C ATOM 1170 CZ TYR A 71 -3.010 11.660 13.244 1.00 0.00 C ATOM 1171 OH TYR A 71 -4.252 12.205 13.012 1.00 0.00 O ATOM 0 H TYR A 71 1.836 11.832 12.684 1.00 0.00 H new ATOM 0 HA TYR A 71 1.406 11.417 15.454 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.271 9.587 13.028 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.759 9.102 14.632 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.852 11.080 15.757 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.472 10.179 11.609 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -3.069 12.050 15.345 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.686 11.155 11.193 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.150 13.076 12.575 1.00 0.00 H new ATOM 1181 N TYR A 72 4.009 9.930 14.095 1.00 0.00 N ATOM 1182 CA TYR A 72 5.248 9.223 14.397 1.00 0.00 C ATOM 1183 C TYR A 72 5.879 9.755 15.680 1.00 0.00 C ATOM 1184 O TYR A 72 6.409 8.992 16.488 1.00 0.00 O ATOM 1185 CB TYR A 72 6.233 9.360 13.235 1.00 0.00 C ATOM 1186 CG TYR A 72 5.744 8.733 11.949 1.00 0.00 C ATOM 1187 CD1 TYR A 72 4.605 7.937 11.931 1.00 0.00 C ATOM 1188 CD2 TYR A 72 6.421 8.935 10.753 1.00 0.00 C ATOM 1189 CE1 TYR A 72 4.155 7.361 10.759 1.00 0.00 C ATOM 1190 CE2 TYR A 72 5.977 8.364 9.576 1.00 0.00 C ATOM 1191 CZ TYR A 72 4.844 7.578 9.584 1.00 0.00 C ATOM 1192 OH TYR A 72 4.400 7.007 8.413 1.00 0.00 O ATOM 0 H TYR A 72 3.899 10.189 13.114 1.00 0.00 H new ATOM 0 HA TYR A 72 5.011 8.169 14.541 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.432 10.418 13.061 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.180 8.900 13.516 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.062 7.766 12.849 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.310 9.549 10.743 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.269 6.744 10.763 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.514 8.532 8.654 1.00 0.00 H new ATOM 0 HH TYR A 72 4.310 6.039 8.535 1.00 0.00 H new ATOM 1202 N LYS A 73 5.820 11.070 15.860 1.00 0.00 N ATOM 1203 CA LYS A 73 6.383 11.707 17.044 1.00 0.00 C ATOM 1204 C LYS A 73 5.631 11.282 18.301 1.00 0.00 C ATOM 1205 O LYS A 73 6.222 11.134 19.371 1.00 0.00 O ATOM 1206 CB LYS A 73 6.338 13.230 16.900 1.00 0.00 C ATOM 1207 CG LYS A 73 6.899 13.733 15.582 1.00 0.00 C ATOM 1208 CD LYS A 73 8.376 14.072 15.698 1.00 0.00 C ATOM 1209 CE LYS A 73 9.242 12.823 15.622 1.00 0.00 C ATOM 1210 NZ LYS A 73 9.521 12.260 16.972 1.00 0.00 N ATOM 0 H LYS A 73 5.387 11.716 15.200 1.00 0.00 H new ATOM 0 HA LYS A 73 7.421 11.388 17.138 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.305 13.565 16.997 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.898 13.681 17.719 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.758 12.974 14.812 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.346 14.617 15.264 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.656 14.760 14.900 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.559 14.586 16.641 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.743 12.071 15.011 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.183 13.063 15.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.501 12.479 17.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.868 12.679 17.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.389 11.229 16.952 1.00 0.00 H new ATOM 1224 N LEU A 74 4.324 11.085 18.164 1.00 0.00 N ATOM 1225 CA LEU A 74 3.490 10.675 19.288 1.00 0.00 C ATOM 1226 C LEU A 74 3.730 9.209 19.638 1.00 0.00 C ATOM 1227 O LEU A 74 3.131 8.678 20.572 1.00 0.00 O ATOM 1228 CB LEU A 74 2.012 10.897 18.961 1.00 0.00 C ATOM 1229 CG LEU A 74 1.490 12.321 19.154 1.00 0.00 C ATOM 1230 CD1 LEU A 74 0.362 12.613 18.175 1.00 0.00 C ATOM 1231 CD2 LEU A 74 1.022 12.528 20.587 1.00 0.00 C ATOM 0 H LEU A 74 3.819 11.203 17.285 1.00 0.00 H new ATOM 0 HA LEU A 74 3.760 11.285 20.150 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.842 10.606 17.924 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.418 10.226 19.582 1.00 0.00 H new ATOM 0 HG LEU A 74 2.305 13.017 18.955 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.003 13.631 18.327 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.729 12.506 17.154 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.455 11.911 18.342 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.654 13.547 20.706 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.221 11.824 20.813 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.855 12.361 21.270 1.00 0.00 H new ATOM 1243 N ASN A 75 4.612 8.563 18.883 1.00 0.00 N ATOM 1244 CA ASN A 75 4.932 7.159 19.114 1.00 0.00 C ATOM 1245 C ASN A 75 3.724 6.271 18.832 1.00 0.00 C ATOM 1246 O ASN A 75 3.430 5.347 19.591 1.00 0.00 O ATOM 1247 CB ASN A 75 5.405 6.953 20.555 1.00 0.00 C ATOM 1248 CG ASN A 75 6.343 5.769 20.692 1.00 0.00 C ATOM 1249 OD1 ASN A 75 5.922 4.616 20.606 1.00 0.00 O ATOM 1250 ND2 ASN A 75 7.624 6.051 20.905 1.00 0.00 N ATOM 0 H ASN A 75 5.118 8.989 18.106 1.00 0.00 H new ATOM 0 HA ASN A 75 5.734 6.878 18.431 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.910 7.855 20.901 1.00 0.00 H new ATOM 0 HB3 ASN A 75 4.540 6.804 21.201 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.303 5.296 21.004 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.929 7.022 20.969 1.00 0.00 H new ATOM 1257 N ILE A 76 3.029 6.558 17.737 1.00 0.00 N ATOM 1258 CA ILE A 76 1.854 5.785 17.354 1.00 0.00 C ATOM 1259 C ILE A 76 2.166 4.851 16.190 1.00 0.00 C ATOM 1260 O ILE A 76 1.829 3.667 16.223 1.00 0.00 O ATOM 1261 CB ILE A 76 0.680 6.702 16.961 1.00 0.00 C ATOM 1262 CG1 ILE A 76 0.394 7.707 18.079 1.00 0.00 C ATOM 1263 CG2 ILE A 76 -0.559 5.874 16.655 1.00 0.00 C ATOM 1264 CD1 ILE A 76 -0.604 8.775 17.690 1.00 0.00 C ATOM 0 H ILE A 76 3.259 7.320 17.099 1.00 0.00 H new ATOM 0 HA ILE A 76 1.568 5.194 18.224 1.00 0.00 H new ATOM 0 HB ILE A 76 0.954 7.255 16.062 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.019 7.171 18.951 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.328 8.184 18.375 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.380 6.536 16.379 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.348 5.194 15.830 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.838 5.298 17.537 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.758 9.452 18.530 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.222 9.336 16.837 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.551 8.307 17.422 1.00 0.00 H new ATOM 1276 N ILE A 77 2.813 5.391 15.162 1.00 0.00 N ATOM 1277 CA ILE A 77 3.173 4.605 13.989 1.00 0.00 C ATOM 1278 C ILE A 77 4.667 4.701 13.700 1.00 0.00 C ATOM 1279 O ILE A 77 5.296 5.727 13.964 1.00 0.00 O ATOM 1280 CB ILE A 77 2.391 5.061 12.743 1.00 0.00 C ATOM 1281 CG1 ILE A 77 0.885 4.951 12.992 1.00 0.00 C ATOM 1282 CG2 ILE A 77 2.795 4.235 11.531 1.00 0.00 C ATOM 1283 CD1 ILE A 77 0.047 5.644 11.940 1.00 0.00 C ATOM 0 H ILE A 77 3.098 6.369 15.118 1.00 0.00 H new ATOM 0 HA ILE A 77 2.914 3.570 14.212 1.00 0.00 H new ATOM 0 HB ILE A 77 2.632 6.105 12.542 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.607 3.898 13.031 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.654 5.378 13.968 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.233 4.570 10.659 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.862 4.359 11.345 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.580 3.183 11.719 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.010 5.525 12.180 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.297 6.705 11.916 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.249 5.202 10.964 1.00 0.00 H new ATOM 1295 N ARG A 78 5.230 3.627 13.155 1.00 0.00 N ATOM 1296 CA ARG A 78 6.650 3.591 12.830 1.00 0.00 C ATOM 1297 C ARG A 78 6.860 3.335 11.340 1.00 0.00 C ATOM 1298 O ARG A 78 6.553 2.255 10.835 1.00 0.00 O ATOM 1299 CB ARG A 78 7.356 2.509 13.649 1.00 0.00 C ATOM 1300 CG ARG A 78 8.863 2.689 13.726 1.00 0.00 C ATOM 1301 CD ARG A 78 9.543 1.453 14.294 1.00 0.00 C ATOM 1302 NE ARG A 78 10.976 1.657 14.489 1.00 0.00 N ATOM 1303 CZ ARG A 78 11.741 0.852 15.217 1.00 0.00 C ATOM 1304 NH1 ARG A 78 11.213 -0.207 15.816 1.00 0.00 N ATOM 1305 NH2 ARG A 78 13.037 1.104 15.348 1.00 0.00 N ATOM 0 H ARG A 78 4.724 2.771 12.930 1.00 0.00 H new ATOM 0 HA ARG A 78 7.079 4.562 13.079 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.947 2.505 14.659 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.137 1.534 13.213 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.257 2.898 12.731 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.096 3.553 14.349 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.081 1.191 15.246 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.385 0.611 13.620 1.00 0.00 H new ATOM 0 HE ARG A 78 11.413 2.462 14.041 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.217 -0.405 15.718 1.00 0.00 H new ATOM 0 HH12 ARG A 78 11.803 -0.824 16.375 1.00 0.00 H new ATOM 0 HH21 ARG A 78 13.447 1.917 14.889 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.623 0.484 15.908 1.00 0.00 H new ATOM 1319 N LYS A 79 7.385 4.336 10.641 1.00 0.00 N ATOM 1320 CA LYS A 79 7.638 4.220 9.210 1.00 0.00 C ATOM 1321 C LYS A 79 9.010 3.609 8.947 1.00 0.00 C ATOM 1322 O LYS A 79 10.030 4.292 9.029 1.00 0.00 O ATOM 1323 CB LYS A 79 7.543 5.594 8.542 1.00 0.00 C ATOM 1324 CG LYS A 79 7.363 5.527 7.035 1.00 0.00 C ATOM 1325 CD LYS A 79 7.123 6.904 6.440 1.00 0.00 C ATOM 1326 CE LYS A 79 7.533 6.958 4.977 1.00 0.00 C ATOM 1327 NZ LYS A 79 8.981 7.269 4.817 1.00 0.00 N ATOM 0 H LYS A 79 7.644 5.237 11.043 1.00 0.00 H new ATOM 0 HA LYS A 79 6.880 3.562 8.785 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.706 6.142 8.975 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.446 6.161 8.767 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.249 5.083 6.581 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.522 4.875 6.797 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.068 7.163 6.533 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.685 7.648 7.004 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.313 6.002 4.503 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.940 7.714 4.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.220 7.297 3.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.187 8.193 5.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.548 6.534 5.287 1.00 0.00 H new ATOM 1341 N GLU A 80 9.027 2.318 8.630 1.00 0.00 N ATOM 1342 CA GLU A 80 10.275 1.616 8.354 1.00 0.00 C ATOM 1343 C GLU A 80 11.089 2.350 7.293 1.00 0.00 C ATOM 1344 O GLU A 80 10.560 2.834 6.292 1.00 0.00 O ATOM 1345 CB GLU A 80 9.990 0.185 7.894 1.00 0.00 C ATOM 1346 CG GLU A 80 9.402 -0.699 8.981 1.00 0.00 C ATOM 1347 CD GLU A 80 9.736 -2.165 8.786 1.00 0.00 C ATOM 1348 OE1 GLU A 80 9.640 -2.647 7.638 1.00 0.00 O ATOM 1349 OE2 GLU A 80 10.093 -2.830 9.781 1.00 0.00 O ATOM 0 H GLU A 80 8.191 1.738 8.558 1.00 0.00 H new ATOM 0 HA GLU A 80 10.856 1.585 9.276 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.301 0.214 7.050 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.916 -0.263 7.535 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.775 -0.371 9.951 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.319 -0.576 8.998 1.00 0.00 H new ATOM 1356 N PRO A 81 12.409 2.437 7.516 1.00 0.00 N ATOM 1357 CA PRO A 81 13.326 3.110 6.591 1.00 0.00 C ATOM 1358 C PRO A 81 13.498 2.344 5.284 1.00 0.00 C ATOM 1359 O PRO A 81 13.773 2.932 4.240 1.00 0.00 O ATOM 1360 CB PRO A 81 14.646 3.149 7.366 1.00 0.00 C ATOM 1361 CG PRO A 81 14.560 2.006 8.317 1.00 0.00 C ATOM 1362 CD PRO A 81 13.108 1.883 8.688 1.00 0.00 C ATOM 0 HA PRO A 81 12.959 4.093 6.297 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.501 3.045 6.698 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.768 4.095 7.894 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.924 1.087 7.857 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.174 2.186 9.199 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.826 0.846 8.871 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.876 2.441 9.595 1.00 0.00 H new ATOM 1370 N GLY A 82 13.333 1.026 5.350 1.00 0.00 N ATOM 1371 CA GLY A 82 13.473 0.200 4.165 1.00 0.00 C ATOM 1372 C GLY A 82 12.174 0.062 3.397 1.00 0.00 C ATOM 1373 O GLY A 82 11.890 0.853 2.498 1.00 0.00 O ATOM 0 H GLY A 82 13.105 0.516 6.203 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.233 0.631 3.513 1.00 0.00 H new ATOM 0 HA3 GLY A 82 13.827 -0.789 4.455 1.00 0.00 H new ATOM 1377 N GLN A 83 11.384 -0.946 3.752 1.00 0.00 N ATOM 1378 CA GLN A 83 10.108 -1.187 3.087 1.00 0.00 C ATOM 1379 C GLN A 83 9.458 0.127 2.665 1.00 0.00 C ATOM 1380 O GLN A 83 9.254 1.022 3.486 1.00 0.00 O ATOM 1381 CB GLN A 83 9.166 -1.962 4.010 1.00 0.00 C ATOM 1382 CG GLN A 83 9.509 -3.438 4.128 1.00 0.00 C ATOM 1383 CD GLN A 83 11.001 -3.685 4.235 1.00 0.00 C ATOM 1384 OE1 GLN A 83 11.651 -4.057 3.258 1.00 0.00 O ATOM 1385 NE2 GLN A 83 11.552 -3.478 5.425 1.00 0.00 N ATOM 0 H GLN A 83 11.604 -1.609 4.496 1.00 0.00 H new ATOM 0 HA GLN A 83 10.299 -1.781 2.193 1.00 0.00 H new ATOM 0 HB2 GLN A 83 9.191 -1.511 5.002 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.145 -1.863 3.640 1.00 0.00 H new ATOM 0 HG2 GLN A 83 9.012 -3.853 5.005 1.00 0.00 H new ATOM 0 HG3 GLN A 83 9.118 -3.968 3.259 1.00 0.00 H new ATOM 0 HE21 GLN A 83 10.975 -3.170 6.208 1.00 0.00 H new ATOM 0 HE22 GLN A 83 12.552 -3.627 5.557 1.00 0.00 H new ATOM 1394 N ARG A 84 9.135 0.236 1.380 1.00 0.00 N ATOM 1395 CA ARG A 84 8.510 1.441 0.849 1.00 0.00 C ATOM 1396 C ARG A 84 7.104 1.618 1.414 1.00 0.00 C ATOM 1397 O ARG A 84 6.403 0.641 1.681 1.00 0.00 O ATOM 1398 CB ARG A 84 8.454 1.381 -0.678 1.00 0.00 C ATOM 1399 CG ARG A 84 7.721 0.162 -1.214 1.00 0.00 C ATOM 1400 CD ARG A 84 7.912 0.011 -2.715 1.00 0.00 C ATOM 1401 NE ARG A 84 7.428 1.178 -3.448 1.00 0.00 N ATOM 1402 CZ ARG A 84 8.192 2.219 -3.760 1.00 0.00 C ATOM 1403 NH1 ARG A 84 9.470 2.238 -3.405 1.00 0.00 N ATOM 1404 NH2 ARG A 84 7.679 3.243 -4.429 1.00 0.00 N ATOM 0 H ARG A 84 9.296 -0.496 0.688 1.00 0.00 H new ATOM 0 HA ARG A 84 9.114 2.297 1.150 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.965 2.281 -1.051 1.00 0.00 H new ATOM 0 HB3 ARG A 84 9.471 1.385 -1.071 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.083 -0.733 -0.708 1.00 0.00 H new ATOM 0 HG3 ARG A 84 6.658 0.247 -0.988 1.00 0.00 H new ATOM 0 HD2 ARG A 84 8.969 -0.141 -2.933 1.00 0.00 H new ATOM 0 HD3 ARG A 84 7.385 -0.878 -3.060 1.00 0.00 H new ATOM 0 HE ARG A 84 6.450 1.195 -3.736 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.868 1.452 -2.891 1.00 0.00 H new ATOM 0 HH12 ARG A 84 10.054 3.039 -3.646 1.00 0.00 H new ATOM 0 HH21 ARG A 84 6.697 3.232 -4.704 1.00 0.00 H new ATOM 0 HH22 ARG A 84 8.267 4.042 -4.668 1.00 0.00 H new ATOM 1418 N LEU A 85 6.697 2.870 1.593 1.00 0.00 N ATOM 1419 CA LEU A 85 5.374 3.175 2.127 1.00 0.00 C ATOM 1420 C LEU A 85 4.958 2.146 3.173 1.00 0.00 C ATOM 1421 O LEU A 85 3.816 1.683 3.184 1.00 0.00 O ATOM 1422 CB LEU A 85 4.344 3.217 0.997 1.00 0.00 C ATOM 1423 CG LEU A 85 4.260 4.527 0.213 1.00 0.00 C ATOM 1424 CD1 LEU A 85 5.211 4.501 -0.974 1.00 0.00 C ATOM 1425 CD2 LEU A 85 2.833 4.781 -0.250 1.00 0.00 C ATOM 0 H LEU A 85 7.264 3.690 1.376 1.00 0.00 H new ATOM 0 HA LEU A 85 5.419 4.153 2.606 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.569 2.412 0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.362 3.006 1.420 1.00 0.00 H new ATOM 0 HG LEU A 85 4.557 5.342 0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.137 5.442 -1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.233 4.367 -0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.945 3.676 -1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.792 5.718 -0.806 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.508 3.963 -0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.175 4.845 0.617 1.00 0.00 H new ATOM 1437 N LEU A 86 5.889 1.793 4.052 1.00 0.00 N ATOM 1438 CA LEU A 86 5.618 0.820 5.104 1.00 0.00 C ATOM 1439 C LEU A 86 5.314 1.517 6.426 1.00 0.00 C ATOM 1440 O LEU A 86 6.052 2.404 6.856 1.00 0.00 O ATOM 1441 CB LEU A 86 6.812 -0.122 5.274 1.00 0.00 C ATOM 1442 CG LEU A 86 6.486 -1.540 5.744 1.00 0.00 C ATOM 1443 CD1 LEU A 86 5.643 -1.503 7.009 1.00 0.00 C ATOM 1444 CD2 LEU A 86 5.771 -2.315 4.647 1.00 0.00 C ATOM 0 H LEU A 86 6.838 2.166 4.057 1.00 0.00 H new ATOM 0 HA LEU A 86 4.743 0.240 4.811 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.336 -0.188 4.320 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.504 0.326 5.987 1.00 0.00 H new ATOM 0 HG LEU A 86 7.422 -2.051 5.971 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.421 -2.521 7.328 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.192 -0.987 7.797 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.711 -0.974 6.810 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.547 -3.322 5.000 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.842 -1.806 4.388 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.411 -2.373 3.766 1.00 0.00 H new ATOM 1456 N PHE A 87 4.224 1.110 7.067 1.00 0.00 N ATOM 1457 CA PHE A 87 3.822 1.695 8.341 1.00 0.00 C ATOM 1458 C PHE A 87 3.555 0.608 9.378 1.00 0.00 C ATOM 1459 O PHE A 87 2.993 -0.441 9.063 1.00 0.00 O ATOM 1460 CB PHE A 87 2.573 2.559 8.158 1.00 0.00 C ATOM 1461 CG PHE A 87 2.657 3.493 6.984 1.00 0.00 C ATOM 1462 CD1 PHE A 87 3.717 4.376 6.859 1.00 0.00 C ATOM 1463 CD2 PHE A 87 1.676 3.486 6.006 1.00 0.00 C ATOM 1464 CE1 PHE A 87 3.795 5.236 5.780 1.00 0.00 C ATOM 1465 CE2 PHE A 87 1.749 4.343 4.924 1.00 0.00 C ATOM 1466 CZ PHE A 87 2.811 5.219 4.811 1.00 0.00 C ATOM 0 H PHE A 87 3.603 0.377 6.725 1.00 0.00 H new ATOM 0 HA PHE A 87 4.639 2.321 8.699 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.707 1.909 8.034 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.408 3.141 9.064 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.490 4.393 7.613 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.844 2.803 6.090 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.625 5.921 5.695 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.977 4.328 4.169 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.872 5.889 3.966 1.00 0.00 H new ATOM 1476 N ARG A 88 3.962 0.867 10.616 1.00 0.00 N ATOM 1477 CA ARG A 88 3.769 -0.088 11.700 1.00 0.00 C ATOM 1478 C ARG A 88 3.069 0.569 12.886 1.00 0.00 C ATOM 1479 O ARG A 88 3.619 1.467 13.525 1.00 0.00 O ATOM 1480 CB ARG A 88 5.113 -0.667 12.144 1.00 0.00 C ATOM 1481 CG ARG A 88 5.027 -1.507 13.408 1.00 0.00 C ATOM 1482 CD ARG A 88 6.321 -1.448 14.205 1.00 0.00 C ATOM 1483 NE ARG A 88 6.407 -2.523 15.190 1.00 0.00 N ATOM 1484 CZ ARG A 88 7.553 -2.982 15.679 1.00 0.00 C ATOM 1485 NH1 ARG A 88 8.705 -2.463 15.276 1.00 0.00 N ATOM 1486 NH2 ARG A 88 7.550 -3.963 16.572 1.00 0.00 N ATOM 0 H ARG A 88 4.428 1.731 10.893 1.00 0.00 H new ATOM 0 HA ARG A 88 3.138 -0.896 11.330 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.519 -1.279 11.338 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.815 0.151 12.308 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.201 -1.153 14.026 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.808 -2.542 13.144 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.169 -1.512 13.524 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.391 -0.486 14.712 1.00 0.00 H new ATOM 0 HE ARG A 88 5.539 -2.944 15.520 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.712 -1.709 14.589 1.00 0.00 H new ATOM 0 HH12 ARG A 88 9.584 -2.818 15.653 1.00 0.00 H new ATOM 0 HH21 ARG A 88 6.666 -4.366 16.884 1.00 0.00 H new ATOM 0 HH22 ARG A 88 8.431 -4.314 16.947 1.00 0.00 H new ATOM 1500 N PHE A 89 1.854 0.116 13.175 1.00 0.00 N ATOM 1501 CA PHE A 89 1.078 0.661 14.284 1.00 0.00 C ATOM 1502 C PHE A 89 1.761 0.375 15.618 1.00 0.00 C ATOM 1503 O PHE A 89 1.456 -0.613 16.284 1.00 0.00 O ATOM 1504 CB PHE A 89 -0.334 0.071 14.284 1.00 0.00 C ATOM 1505 CG PHE A 89 -1.263 0.740 13.312 1.00 0.00 C ATOM 1506 CD1 PHE A 89 -1.468 2.109 13.359 1.00 0.00 C ATOM 1507 CD2 PHE A 89 -1.931 -0.001 12.350 1.00 0.00 C ATOM 1508 CE1 PHE A 89 -2.322 2.728 12.466 1.00 0.00 C ATOM 1509 CE2 PHE A 89 -2.786 0.612 11.454 1.00 0.00 C ATOM 1510 CZ PHE A 89 -2.983 1.978 11.513 1.00 0.00 C ATOM 0 H PHE A 89 1.385 -0.627 12.657 1.00 0.00 H new ATOM 0 HA PHE A 89 1.013 1.741 14.154 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.275 -0.991 14.046 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.752 0.150 15.287 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.954 2.700 14.103 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.782 -1.069 12.300 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.472 3.796 12.513 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.300 0.024 10.708 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.653 2.459 10.815 1.00 0.00 H new ATOM 1520 N MET A 90 2.688 1.247 16.000 1.00 0.00 N ATOM 1521 CA MET A 90 3.415 1.089 17.255 1.00 0.00 C ATOM 1522 C MET A 90 2.472 0.676 18.380 1.00 0.00 C ATOM 1523 O MET A 90 2.490 -0.470 18.830 1.00 0.00 O ATOM 1524 CB MET A 90 4.128 2.392 17.623 1.00 0.00 C ATOM 1525 CG MET A 90 5.190 2.808 16.618 1.00 0.00 C ATOM 1526 SD MET A 90 6.248 4.132 17.234 1.00 0.00 S ATOM 1527 CE MET A 90 7.339 3.215 18.320 1.00 0.00 C ATOM 0 H MET A 90 2.954 2.070 15.459 1.00 0.00 H new ATOM 0 HA MET A 90 4.158 0.303 17.120 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.389 3.189 17.710 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.591 2.279 18.603 1.00 0.00 H new ATOM 0 HG2 MET A 90 5.805 1.944 16.366 1.00 0.00 H new ATOM 0 HG3 MET A 90 4.706 3.134 15.697 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.054 3.898 18.778 1.00 0.00 H new ATOM 0 HE2 MET A 90 6.752 2.728 19.099 1.00 0.00 H new ATOM 0 HE3 MET A 90 7.875 2.461 17.744 1.00 0.00 H new ATOM 1537 N LYS A 91 1.649 1.617 18.832 1.00 0.00 N ATOM 1538 CA LYS A 91 0.698 1.351 19.904 1.00 0.00 C ATOM 1539 C LYS A 91 -0.729 1.306 19.368 1.00 0.00 C ATOM 1540 O LYS A 91 -1.031 1.891 18.327 1.00 0.00 O ATOM 1541 CB LYS A 91 0.811 2.422 20.991 1.00 0.00 C ATOM 1542 CG LYS A 91 0.145 2.034 22.300 1.00 0.00 C ATOM 1543 CD LYS A 91 1.015 1.085 23.108 1.00 0.00 C ATOM 1544 CE LYS A 91 0.705 1.174 24.594 1.00 0.00 C ATOM 1545 NZ LYS A 91 1.560 0.254 25.395 1.00 0.00 N ATOM 0 H LYS A 91 1.622 2.571 18.472 1.00 0.00 H new ATOM 0 HA LYS A 91 0.937 0.378 20.334 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.865 2.629 21.177 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.364 3.347 20.626 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.058 2.931 22.886 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.816 1.563 22.095 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.858 0.063 22.763 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.066 1.320 22.940 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.854 2.198 24.935 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.345 0.932 24.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.318 0.344 26.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.399 -0.726 25.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.561 0.501 25.256 1.00 0.00 H new ATOM 1559 N THR A 92 -1.605 0.608 20.085 1.00 0.00 N ATOM 1560 CA THR A 92 -3.000 0.487 19.680 1.00 0.00 C ATOM 1561 C THR A 92 -3.679 1.851 19.633 1.00 0.00 C ATOM 1562 O THR A 92 -3.617 2.635 20.580 1.00 0.00 O ATOM 1563 CB THR A 92 -3.784 -0.431 20.637 1.00 0.00 C ATOM 1564 OG1 THR A 92 -3.387 -1.793 20.443 1.00 0.00 O ATOM 1565 CG2 THR A 92 -5.282 -0.297 20.409 1.00 0.00 C ATOM 0 H THR A 92 -1.373 0.118 20.949 1.00 0.00 H new ATOM 0 HA THR A 92 -3.003 0.048 18.682 1.00 0.00 H new ATOM 0 HB THR A 92 -3.560 -0.129 21.660 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.888 -2.370 21.056 1.00 0.00 H new ATOM 0 HG21 THR A 92 -5.815 -0.954 21.096 1.00 0.00 H new ATOM 0 HG22 THR A 92 -5.586 0.735 20.585 1.00 0.00 H new ATOM 0 HG23 THR A 92 -5.520 -0.575 19.382 1.00 0.00 H new ATOM 1573 N PRO A 93 -4.344 2.143 18.505 1.00 0.00 N ATOM 1574 CA PRO A 93 -5.049 3.413 18.308 1.00 0.00 C ATOM 1575 C PRO A 93 -6.290 3.529 19.186 1.00 0.00 C ATOM 1576 O PRO A 93 -6.642 4.618 19.639 1.00 0.00 O ATOM 1577 CB PRO A 93 -5.442 3.375 16.829 1.00 0.00 C ATOM 1578 CG PRO A 93 -5.508 1.925 16.492 1.00 0.00 C ATOM 1579 CD PRO A 93 -4.459 1.255 17.336 1.00 0.00 C ATOM 0 HA PRO A 93 -4.430 4.269 18.577 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.401 3.864 16.662 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.708 3.892 16.211 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.497 1.520 16.705 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.318 1.762 15.431 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.758 0.247 17.625 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.512 1.166 16.804 1.00 0.00 H new ATOM 1587 N ASP A 94 -6.950 2.401 19.422 1.00 0.00 N ATOM 1588 CA ASP A 94 -8.152 2.376 20.248 1.00 0.00 C ATOM 1589 C ASP A 94 -7.816 2.678 21.705 1.00 0.00 C ATOM 1590 O ASP A 94 -8.684 3.077 22.481 1.00 0.00 O ATOM 1591 CB ASP A 94 -8.841 1.015 20.142 1.00 0.00 C ATOM 1592 CG ASP A 94 -10.351 1.122 20.225 1.00 0.00 C ATOM 1593 OD1 ASP A 94 -10.886 1.098 21.353 1.00 0.00 O ATOM 1594 OD2 ASP A 94 -10.998 1.230 19.162 1.00 0.00 O ATOM 0 H ASP A 94 -6.673 1.491 19.053 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.830 3.147 19.883 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.564 0.544 19.199 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.481 0.366 20.940 1.00 0.00 H new ATOM 1599 N GLU A 95 -6.553 2.484 22.069 1.00 0.00 N ATOM 1600 CA GLU A 95 -6.104 2.735 23.433 1.00 0.00 C ATOM 1601 C GLU A 95 -5.718 4.199 23.619 1.00 0.00 C ATOM 1602 O GLU A 95 -6.050 4.816 24.631 1.00 0.00 O ATOM 1603 CB GLU A 95 -4.915 1.835 23.776 1.00 0.00 C ATOM 1604 CG GLU A 95 -5.279 0.365 23.896 1.00 0.00 C ATOM 1605 CD GLU A 95 -5.801 0.003 25.273 1.00 0.00 C ATOM 1606 OE1 GLU A 95 -5.518 0.752 26.231 1.00 0.00 O ATOM 1607 OE2 GLU A 95 -6.492 -1.031 25.392 1.00 0.00 O ATOM 0 H GLU A 95 -5.822 2.154 21.438 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.930 2.507 24.107 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.150 1.950 23.008 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.476 2.170 24.716 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.034 0.120 23.149 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.401 -0.242 23.673 1.00 0.00 H new ATOM 1794 N LEU A 107 -5.288 16.821 15.031 1.00 0.00 N ATOM 1795 CA LEU A 107 -4.506 16.363 13.888 1.00 0.00 C ATOM 1796 C LEU A 107 -5.400 15.687 12.853 1.00 0.00 C ATOM 1797 O LEU A 107 -4.981 14.748 12.177 1.00 0.00 O ATOM 1798 CB LEU A 107 -3.415 15.394 14.347 1.00 0.00 C ATOM 1799 CG LEU A 107 -2.105 16.030 14.813 1.00 0.00 C ATOM 1800 CD1 LEU A 107 -1.343 16.610 13.632 1.00 0.00 C ATOM 1801 CD2 LEU A 107 -2.376 17.106 15.855 1.00 0.00 C ATOM 0 HA LEU A 107 -4.040 17.233 13.426 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.813 14.790 15.163 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.193 14.713 13.525 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.490 15.255 15.271 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.414 17.058 13.983 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -1.117 15.816 12.920 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.952 17.372 13.145 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -1.433 17.548 16.175 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.011 17.879 15.423 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.879 16.662 16.714 1.00 0.00 H new ATOM 1813 N GLU A 108 -6.631 16.174 12.734 1.00 0.00 N ATOM 1814 CA GLU A 108 -7.583 15.617 11.779 1.00 0.00 C ATOM 1815 C GLU A 108 -7.546 16.387 10.462 1.00 0.00 C ATOM 1816 O GLU A 108 -7.239 15.824 9.411 1.00 0.00 O ATOM 1817 CB GLU A 108 -8.998 15.646 12.360 1.00 0.00 C ATOM 1818 CG GLU A 108 -10.011 14.872 11.534 1.00 0.00 C ATOM 1819 CD GLU A 108 -11.443 15.204 11.906 1.00 0.00 C ATOM 1820 OE1 GLU A 108 -11.933 14.667 12.921 1.00 0.00 O ATOM 1821 OE2 GLU A 108 -12.074 16.002 11.181 1.00 0.00 O ATOM 0 H GLU A 108 -6.993 16.952 13.286 1.00 0.00 H new ATOM 0 HA GLU A 108 -7.300 14.583 11.583 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -8.976 15.236 13.370 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -9.326 16.682 12.444 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.854 15.089 10.477 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -9.843 13.803 11.668 1.00 0.00 H new ATOM 1828 N SER A 109 -7.861 17.676 10.528 1.00 0.00 N ATOM 1829 CA SER A 109 -7.868 18.523 9.341 1.00 0.00 C ATOM 1830 C SER A 109 -6.800 19.608 9.441 1.00 0.00 C ATOM 1831 O SER A 109 -6.990 20.725 8.961 1.00 0.00 O ATOM 1832 CB SER A 109 -9.245 19.162 9.153 1.00 0.00 C ATOM 1833 OG SER A 109 -9.382 19.706 7.852 1.00 0.00 O ATOM 0 H SER A 109 -8.115 18.157 11.391 1.00 0.00 H new ATOM 0 HA SER A 109 -7.645 17.897 8.477 1.00 0.00 H new ATOM 0 HB2 SER A 109 -10.022 18.416 9.322 1.00 0.00 H new ATOM 0 HB3 SER A 109 -9.390 19.947 9.896 1.00 0.00 H new ATOM 0 HG SER A 109 -8.639 20.320 7.674 1.00 0.00 H new ATOM 1839 N GLN A 110 -5.678 19.269 10.067 1.00 0.00 N ATOM 1840 CA GLN A 110 -4.580 20.214 10.231 1.00 0.00 C ATOM 1841 C GLN A 110 -3.658 20.193 9.016 1.00 0.00 C ATOM 1842 O GLN A 110 -3.515 21.195 8.317 1.00 0.00 O ATOM 1843 CB GLN A 110 -3.784 19.889 11.496 1.00 0.00 C ATOM 1844 CG GLN A 110 -2.542 20.748 11.671 1.00 0.00 C ATOM 1845 CD GLN A 110 -2.871 22.183 12.032 1.00 0.00 C ATOM 1846 OE1 GLN A 110 -3.959 22.677 11.736 1.00 0.00 O ATOM 1847 NE2 GLN A 110 -1.929 22.862 12.677 1.00 0.00 N ATOM 0 H GLN A 110 -5.505 18.347 10.469 1.00 0.00 H new ATOM 0 HA GLN A 110 -5.005 21.213 10.325 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -4.430 20.018 12.365 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -3.489 18.840 11.470 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -1.913 20.316 12.450 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -1.962 20.733 10.748 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -1.041 22.414 12.903 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -2.094 23.832 12.947 1.00 0.00 H new ATOM 1856 N GLU A 111 -3.035 19.045 8.772 1.00 0.00 N ATOM 1857 CA GLU A 111 -2.125 18.895 7.642 1.00 0.00 C ATOM 1858 C GLU A 111 -2.899 18.653 6.350 1.00 0.00 C ATOM 1859 O GLU A 111 -2.552 17.774 5.560 1.00 0.00 O ATOM 1860 CB GLU A 111 -1.153 17.739 7.891 1.00 0.00 C ATOM 1861 CG GLU A 111 -1.836 16.390 8.038 1.00 0.00 C ATOM 1862 CD GLU A 111 -2.294 16.119 9.457 1.00 0.00 C ATOM 1863 OE1 GLU A 111 -1.496 16.339 10.391 1.00 0.00 O ATOM 1864 OE2 GLU A 111 -3.453 15.686 9.634 1.00 0.00 O ATOM 0 H GLU A 111 -3.143 18.205 9.341 1.00 0.00 H new ATOM 0 HA GLU A 111 -1.559 19.821 7.539 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -0.442 17.689 7.066 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -0.579 17.946 8.794 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -2.695 16.347 7.369 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -1.149 15.603 7.726 1.00 0.00 H new ATOM 1871 N LEU A 112 -3.950 19.439 6.141 1.00 0.00 N ATOM 1872 CA LEU A 112 -4.774 19.311 4.944 1.00 0.00 C ATOM 1873 C LEU A 112 -5.155 20.683 4.397 1.00 0.00 C ATOM 1874 O LEU A 112 -5.629 21.547 5.135 1.00 0.00 O ATOM 1875 CB LEU A 112 -6.036 18.505 5.254 1.00 0.00 C ATOM 1876 CG LEU A 112 -5.827 17.019 5.550 1.00 0.00 C ATOM 1877 CD1 LEU A 112 -7.047 16.437 6.247 1.00 0.00 C ATOM 1878 CD2 LEU A 112 -5.528 16.256 4.268 1.00 0.00 C ATOM 0 H LEU A 112 -4.251 20.171 6.784 1.00 0.00 H new ATOM 0 HA LEU A 112 -4.192 18.786 4.186 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.532 18.960 6.112 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.717 18.594 4.408 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.971 16.918 6.217 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.880 15.379 6.450 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.216 16.964 7.186 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.921 16.550 5.606 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.382 15.201 4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.364 16.364 3.577 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.624 16.656 3.809 1.00 0.00 H new