USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 839 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 84 SER OG : rot 117:sc= 1.03 USER MOD Set 1.2: A 86 TYR OH : rot -120:sc= 0.729 USER MOD Set 2.1: A 69 LYS NZ :NH3+ -144:sc= -0.749 (180deg=-1.38) USER MOD Set 2.2: A 71 LYS NZ :NH3+ -153:sc= -0.897 (180deg=-2.93!) USER MOD Set 3.1: A 60 TYR OH : rot -137:sc= 0.287 USER MOD Set 3.2: A 81 TYR OH : rot 175:sc= -0.286 USER MOD Single : A 5 ASN : amide:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 9 THR OG1 : rot 54:sc= 0.744 USER MOD Single : A 15 GLN :FLIP amide:sc= -4.08! C(o=-5.3!,f=-4.1!) USER MOD Single : A 18 ASN : amide:sc=-0.00357 K(o=-0.0036,f=-1.4) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl -142:sc= -0.674 (180deg=-3.6!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -138:sc= -0.354 (180deg=-2.27!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 120:sc= -2.21 USER MOD Single : A 39 SER OG : rot 180:sc= -0.0127 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -3.19! C(o=-3.2!,f=-2.9!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 146:sc= -0.113 (180deg=-0.888) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0158 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.258) USER MOD Single : A 59 THR OG1 : rot -39:sc= 0.142 USER MOD Single : A 61 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.387) USER MOD Single : A 64 LYS NZ :NH3+ -152:sc= -0.0253 (180deg=-0.289) USER MOD Single : A 65 ASN : amide:sc= -0.619 K(o=-0.62,f=-3.6) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.0539 X(o=-0.054,f=-0.17) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00854) USER MOD Single : A 92 ASN :FLIP amide:sc= -0.568 F(o=-1.3,f=-0.57) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -145:sc= 0.332 (180deg=-0.0362) USER MOD Single : A 103 GLN : amide:sc=-0.00346 K(o=-0.0035,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 73 N ASN A 5 8.901 4.364 -11.353 1.00 0.00 N ATOM 74 CA ASN A 5 7.692 5.060 -10.925 1.00 0.00 C ATOM 75 C ASN A 5 6.664 4.085 -10.403 1.00 0.00 C ATOM 76 O ASN A 5 5.480 4.123 -10.771 1.00 0.00 O ATOM 77 CB ASN A 5 7.117 5.881 -12.117 1.00 0.00 C ATOM 78 CG ASN A 5 8.088 6.247 -13.244 1.00 0.00 C ATOM 79 OD1 ASN A 5 8.503 7.385 -13.405 1.00 0.00 O ATOM 80 ND2 ASN A 5 8.481 5.309 -14.064 1.00 0.00 N ATOM 0 HA ASN A 5 7.945 5.740 -10.111 1.00 0.00 H new ATOM 0 HB2 ASN A 5 6.292 5.315 -12.551 1.00 0.00 H new ATOM 0 HB3 ASN A 5 6.696 6.805 -11.720 1.00 0.00 H new ATOM 0 HD21 ASN A 5 9.124 5.532 -14.824 1.00 0.00 H new ATOM 0 HD22 ASN A 5 8.145 4.353 -13.945 1.00 0.00 H new ATOM 87 N ALA A 6 7.089 3.200 -9.518 1.00 0.00 N ATOM 88 CA ALA A 6 6.228 2.120 -9.042 1.00 0.00 C ATOM 89 C ALA A 6 6.777 1.482 -7.784 1.00 0.00 C ATOM 90 O ALA A 6 7.879 1.780 -7.305 1.00 0.00 O ATOM 91 CB ALA A 6 6.070 1.113 -10.195 1.00 0.00 C ATOM 0 H ALA A 6 8.025 3.204 -9.112 1.00 0.00 H new ATOM 0 HA ALA A 6 5.249 2.508 -8.761 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.431 0.290 -9.874 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.618 1.610 -11.053 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.049 0.724 -10.475 1.00 0.00 H new ATOM 97 N LEU A 7 5.980 0.589 -7.216 1.00 0.00 N ATOM 98 CA LEU A 7 6.320 -0.096 -5.973 1.00 0.00 C ATOM 99 C LEU A 7 6.374 -1.592 -6.180 1.00 0.00 C ATOM 100 O LEU A 7 5.390 -2.244 -6.554 1.00 0.00 O ATOM 101 CB LEU A 7 5.310 0.264 -4.845 1.00 0.00 C ATOM 102 CG LEU A 7 5.450 1.650 -4.157 1.00 0.00 C ATOM 103 CD1 LEU A 7 4.421 1.869 -3.036 1.00 0.00 C ATOM 104 CD2 LEU A 7 6.867 1.818 -3.592 1.00 0.00 C ATOM 0 H LEU A 7 5.077 0.317 -7.603 1.00 0.00 H new ATOM 0 HA LEU A 7 7.309 0.242 -5.664 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.305 0.198 -5.263 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.385 -0.501 -4.073 1.00 0.00 H new ATOM 0 HG LEU A 7 5.258 2.400 -4.924 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.569 2.854 -2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.414 1.804 -3.449 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.549 1.104 -2.270 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.954 2.793 -3.112 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.062 1.034 -2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.593 1.746 -4.402 1.00 0.00 H new ATOM 116 N GLU A 8 7.551 -2.155 -5.956 1.00 0.00 N ATOM 117 CA GLU A 8 7.737 -3.603 -5.981 1.00 0.00 C ATOM 118 C GLU A 8 6.984 -4.263 -4.849 1.00 0.00 C ATOM 119 O GLU A 8 7.492 -4.421 -3.729 1.00 0.00 O ATOM 120 CB GLU A 8 9.258 -3.909 -5.899 1.00 0.00 C ATOM 121 CG GLU A 8 10.146 -3.487 -7.115 1.00 0.00 C ATOM 122 CD GLU A 8 10.412 -4.517 -8.215 1.00 0.00 C ATOM 123 OE1 GLU A 8 9.626 -5.414 -8.492 1.00 0.00 O ATOM 124 OE2 GLU A 8 11.601 -4.342 -8.855 1.00 0.00 O ATOM 0 H GLU A 8 8.401 -1.628 -5.753 1.00 0.00 H new ATOM 0 HA GLU A 8 7.336 -4.009 -6.910 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.652 -3.419 -5.009 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.378 -4.982 -5.752 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.681 -2.618 -7.580 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.110 -3.162 -6.725 1.00 0.00 H new ATOM 131 N THR A 9 5.761 -4.672 -5.126 1.00 0.00 N ATOM 132 CA THR A 9 4.866 -5.229 -4.110 1.00 0.00 C ATOM 133 C THR A 9 4.632 -6.701 -4.365 1.00 0.00 C ATOM 134 O THR A 9 4.296 -7.116 -5.488 1.00 0.00 O ATOM 135 CB THR A 9 3.529 -4.411 -4.070 1.00 0.00 C ATOM 136 OG1 THR A 9 3.399 -3.620 -5.245 1.00 0.00 O ATOM 137 CG2 THR A 9 3.381 -3.405 -2.907 1.00 0.00 C ATOM 0 H THR A 9 5.352 -4.631 -6.060 1.00 0.00 H new ATOM 0 HA THR A 9 5.331 -5.145 -3.128 1.00 0.00 H new ATOM 0 HB THR A 9 2.774 -5.189 -3.958 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.487 -4.192 -6.036 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.418 -2.899 -2.984 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.437 -3.936 -1.957 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.183 -2.668 -2.959 1.00 0.00 H new ATOM 145 N TRP A 10 4.822 -7.525 -3.352 1.00 0.00 N ATOM 146 CA TRP A 10 4.803 -8.980 -3.513 1.00 0.00 C ATOM 147 C TRP A 10 3.903 -9.662 -2.510 1.00 0.00 C ATOM 148 O TRP A 10 3.499 -9.094 -1.485 1.00 0.00 O ATOM 149 CB TRP A 10 6.257 -9.512 -3.345 1.00 0.00 C ATOM 150 CG TRP A 10 7.207 -9.116 -4.481 1.00 0.00 C ATOM 151 CD1 TRP A 10 7.932 -7.910 -4.568 1.00 0.00 C ATOM 152 CD2 TRP A 10 7.455 -9.792 -5.657 1.00 0.00 C ATOM 153 NE1 TRP A 10 8.629 -7.811 -5.789 1.00 0.00 N ATOM 154 CE2 TRP A 10 8.315 -8.990 -6.447 1.00 0.00 C ATOM 155 CE3 TRP A 10 7.009 -11.054 -6.127 1.00 0.00 C ATOM 156 CZ2 TRP A 10 8.708 -9.429 -7.730 1.00 0.00 C ATOM 157 CZ3 TRP A 10 7.363 -11.439 -7.421 1.00 0.00 C ATOM 158 CH2 TRP A 10 8.225 -10.654 -8.200 1.00 0.00 C ATOM 0 H TRP A 10 4.994 -7.214 -2.396 1.00 0.00 H new ATOM 0 HA TRP A 10 4.409 -9.205 -4.504 1.00 0.00 H new ATOM 0 HB2 TRP A 10 6.661 -9.141 -2.403 1.00 0.00 H new ATOM 0 HB3 TRP A 10 6.228 -10.599 -3.273 1.00 0.00 H new ATOM 0 HD1 TRP A 10 7.951 -7.156 -3.795 1.00 0.00 H new ATOM 0 HE1 TRP A 10 9.225 -7.050 -6.113 1.00 0.00 H new ATOM 0 HE3 TRP A 10 6.412 -11.700 -5.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 9.370 -8.829 -8.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 6.966 -12.357 -7.829 1.00 0.00 H new ATOM 0 HH2 TRP A 10 8.521 -11.001 -9.179 1.00 0.00 H new ATOM 169 N GLY A 11 3.587 -10.919 -2.785 1.00 0.00 N ATOM 170 CA GLY A 11 2.770 -11.725 -1.884 1.00 0.00 C ATOM 171 C GLY A 11 2.934 -13.203 -2.152 1.00 0.00 C ATOM 172 O GLY A 11 3.493 -13.631 -3.172 1.00 0.00 O ATOM 0 H GLY A 11 3.885 -11.407 -3.630 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.046 -11.510 -0.852 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.722 -11.449 -1.998 1.00 0.00 H new ATOM 176 N ALA A 12 2.461 -14.017 -1.226 1.00 0.00 N ATOM 177 CA ALA A 12 2.398 -15.468 -1.397 1.00 0.00 C ATOM 178 C ALA A 12 0.978 -15.907 -1.671 1.00 0.00 C ATOM 179 O ALA A 12 0.017 -15.161 -1.371 1.00 0.00 O ATOM 180 CB ALA A 12 2.994 -16.116 -0.136 1.00 0.00 C ATOM 0 H ALA A 12 2.106 -13.694 -0.326 1.00 0.00 H new ATOM 0 HA ALA A 12 2.980 -15.789 -2.261 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.961 -17.201 -0.234 1.00 0.00 H new ATOM 0 HB2 ALA A 12 4.028 -15.794 -0.016 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.416 -15.813 0.737 1.00 0.00 H new ATOM 186 N LEU A 13 0.777 -17.098 -2.207 1.00 0.00 N ATOM 187 CA LEU A 13 -0.566 -17.513 -2.639 1.00 0.00 C ATOM 188 C LEU A 13 -1.456 -17.850 -1.464 1.00 0.00 C ATOM 189 O LEU A 13 -1.143 -18.678 -0.598 1.00 0.00 O ATOM 190 CB LEU A 13 -0.521 -18.714 -3.628 1.00 0.00 C ATOM 191 CG LEU A 13 -0.497 -18.436 -5.153 1.00 0.00 C ATOM 192 CD1 LEU A 13 0.947 -18.457 -5.672 1.00 0.00 C ATOM 193 CD2 LEU A 13 -1.344 -19.444 -5.953 1.00 0.00 C ATOM 0 H LEU A 13 1.508 -17.793 -2.356 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.991 -16.657 -3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.363 -19.304 -3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.388 -19.341 -3.422 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.935 -17.449 -5.300 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.951 -18.261 -6.744 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.529 -17.690 -5.160 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.388 -19.435 -5.481 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.291 -19.202 -7.014 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.960 -20.451 -5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.381 -19.393 -5.620 1.00 0.00 H new ATOM 205 N GLY A 14 -2.616 -17.206 -1.438 1.00 0.00 N ATOM 206 CA GLY A 14 -3.564 -17.345 -0.331 1.00 0.00 C ATOM 207 C GLY A 14 -3.102 -16.490 0.834 1.00 0.00 C ATOM 208 O GLY A 14 -3.218 -16.848 2.014 1.00 0.00 O ATOM 0 H GLY A 14 -2.928 -16.576 -2.177 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.560 -17.039 -0.649 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.634 -18.389 -0.026 1.00 0.00 H new ATOM 212 N GLN A 15 -2.542 -15.339 0.486 1.00 0.00 N ATOM 213 CA GLN A 15 -1.858 -14.504 1.470 1.00 0.00 C ATOM 214 C GLN A 15 -2.169 -13.035 1.301 1.00 0.00 C ATOM 215 O GLN A 15 -2.070 -12.444 0.217 1.00 0.00 O ATOM 216 CB GLN A 15 -0.336 -14.754 1.353 1.00 0.00 C ATOM 217 CG GLN A 15 0.579 -13.902 2.294 1.00 0.00 C ATOM 218 CD GLN A 15 2.021 -14.358 2.547 1.00 0.00 C ATOM 219 OE1 GLN A 15 2.293 -15.634 2.658 1.00 0.00 O flip ATOM 220 NE2 GLN A 15 2.927 -13.550 2.667 1.00 0.00 N flip ATOM 0 H GLN A 15 -2.546 -14.963 -0.462 1.00 0.00 H new ATOM 0 HA GLN A 15 -2.215 -14.779 2.462 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.146 -15.808 1.553 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.036 -14.566 0.322 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.621 -12.892 1.885 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.082 -13.834 3.262 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.734 -12.552 2.584 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.877 -13.873 2.851 1.00 0.00 H new ATOM 229 N ASP A 16 -2.522 -12.405 2.409 1.00 0.00 N ATOM 230 CA ASP A 16 -2.987 -11.024 2.427 1.00 0.00 C ATOM 231 C ASP A 16 -1.826 -10.060 2.457 1.00 0.00 C ATOM 232 O ASP A 16 -0.898 -10.178 3.273 1.00 0.00 O ATOM 233 CB ASP A 16 -3.954 -10.813 3.625 1.00 0.00 C ATOM 234 CG ASP A 16 -3.322 -10.360 4.948 1.00 0.00 C ATOM 235 OD1 ASP A 16 -2.495 -11.306 5.490 1.00 0.00 O ATOM 236 OD2 ASP A 16 -3.548 -9.274 5.461 1.00 0.00 O ATOM 0 H ASP A 16 -2.494 -12.840 3.331 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.537 -10.820 1.508 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.701 -10.074 3.334 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.484 -11.749 3.804 1.00 0.00 H new ATOM 241 N ILE A 17 -1.842 -9.098 1.554 1.00 0.00 N ATOM 242 CA ILE A 17 -0.763 -8.119 1.445 1.00 0.00 C ATOM 243 C ILE A 17 -1.320 -6.720 1.329 1.00 0.00 C ATOM 244 O ILE A 17 -2.484 -6.509 0.953 1.00 0.00 O ATOM 245 CB ILE A 17 0.218 -8.477 0.254 1.00 0.00 C ATOM 246 CG1 ILE A 17 0.862 -7.251 -0.471 1.00 0.00 C ATOM 247 CG2 ILE A 17 -0.457 -9.376 -0.829 1.00 0.00 C ATOM 248 CD1 ILE A 17 2.230 -6.784 0.066 1.00 0.00 C ATOM 0 H ILE A 17 -2.594 -8.968 0.878 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.171 -8.156 2.360 1.00 0.00 H new ATOM 0 HB ILE A 17 1.017 -9.019 0.760 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.974 -7.498 -1.527 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.167 -6.414 -0.412 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.260 -9.591 -1.622 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.785 -10.310 -0.373 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.318 -8.855 -1.249 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.576 -5.929 -0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.131 -6.496 1.113 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.951 -7.597 -0.020 1.00 0.00 H new ATOM 260 N ASN A 18 -0.509 -5.736 1.669 1.00 0.00 N ATOM 261 CA ASN A 18 -0.960 -4.349 1.733 1.00 0.00 C ATOM 262 C ASN A 18 -0.270 -3.479 0.707 1.00 0.00 C ATOM 263 O ASN A 18 0.942 -3.581 0.465 1.00 0.00 O ATOM 264 CB ASN A 18 -0.704 -3.792 3.166 1.00 0.00 C ATOM 265 CG ASN A 18 -1.404 -4.489 4.337 1.00 0.00 C ATOM 266 OD1 ASN A 18 -2.610 -4.686 4.354 1.00 0.00 O ATOM 267 ND2 ASN A 18 -0.688 -4.863 5.363 1.00 0.00 N ATOM 0 H ASN A 18 0.474 -5.868 1.908 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.026 -4.329 1.507 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.370 -3.823 3.351 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.999 -2.743 3.176 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.137 -5.312 6.162 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.320 -4.706 5.366 1.00 0.00 H new ATOM 274 N LEU A 19 -1.042 -2.621 0.068 1.00 0.00 N ATOM 275 CA LEU A 19 -0.504 -1.592 -0.821 1.00 0.00 C ATOM 276 C LEU A 19 -0.032 -0.408 -0.008 1.00 0.00 C ATOM 277 O LEU A 19 -0.838 0.336 0.580 1.00 0.00 O ATOM 278 CB LEU A 19 -1.564 -1.182 -1.883 1.00 0.00 C ATOM 279 CG LEU A 19 -1.572 -1.950 -3.234 1.00 0.00 C ATOM 280 CD1 LEU A 19 -0.143 -2.049 -3.792 1.00 0.00 C ATOM 281 CD2 LEU A 19 -2.179 -3.357 -3.113 1.00 0.00 C ATOM 0 H LEU A 19 -2.059 -2.612 0.146 1.00 0.00 H new ATOM 0 HA LEU A 19 0.355 -1.992 -1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.550 -1.290 -1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.427 -0.123 -2.101 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.203 -1.382 -3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.159 -2.589 -4.739 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.255 -1.047 -3.952 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.489 -2.581 -3.081 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.159 -3.847 -4.086 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.600 -3.943 -2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.210 -3.280 -2.767 1.00 0.00 H new ATOM 293 N ASP A 20 1.267 -0.186 0.035 1.00 0.00 N ATOM 294 CA ASP A 20 1.852 0.798 0.941 1.00 0.00 C ATOM 295 C ASP A 20 2.174 2.101 0.245 1.00 0.00 C ATOM 296 O ASP A 20 3.087 2.213 -0.583 1.00 0.00 O ATOM 297 CB ASP A 20 3.110 0.201 1.631 1.00 0.00 C ATOM 298 CG ASP A 20 2.882 -0.983 2.580 1.00 0.00 C ATOM 299 OD1 ASP A 20 1.803 -1.221 3.104 1.00 0.00 O ATOM 300 OD2 ASP A 20 4.015 -1.719 2.791 1.00 0.00 O ATOM 0 H ASP A 20 1.946 -0.674 -0.549 1.00 0.00 H new ATOM 0 HA ASP A 20 1.108 1.033 1.703 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.806 -0.116 0.854 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.600 0.997 2.192 1.00 0.00 H new ATOM 305 N ILE A 21 1.421 3.131 0.599 1.00 0.00 N ATOM 306 CA ILE A 21 1.692 4.497 0.166 1.00 0.00 C ATOM 307 C ILE A 21 2.939 5.027 0.841 1.00 0.00 C ATOM 308 O ILE A 21 3.341 4.562 1.919 1.00 0.00 O ATOM 309 CB ILE A 21 0.435 5.432 0.401 1.00 0.00 C ATOM 310 CG1 ILE A 21 0.396 6.723 -0.479 1.00 0.00 C ATOM 311 CG2 ILE A 21 0.274 5.860 1.893 1.00 0.00 C ATOM 312 CD1 ILE A 21 -0.996 7.359 -0.675 1.00 0.00 C ATOM 0 H ILE A 21 0.600 3.044 1.198 1.00 0.00 H new ATOM 0 HA ILE A 21 1.879 4.493 -0.908 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.395 4.795 0.096 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.055 7.466 -0.030 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.807 6.484 -1.460 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.603 6.499 1.996 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.151 4.973 2.515 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.161 6.407 2.212 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.905 8.247 -1.301 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.659 6.641 -1.158 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.408 7.639 0.295 1.00 0.00 H new ATOM 324 N PRO A 22 3.579 5.997 0.216 1.00 0.00 N ATOM 325 CA PRO A 22 4.808 6.753 0.714 1.00 0.00 C ATOM 326 C PRO A 22 4.756 7.210 2.155 1.00 0.00 C ATOM 327 O PRO A 22 3.800 6.988 2.911 1.00 0.00 O ATOM 328 CB PRO A 22 4.923 7.990 -0.172 1.00 0.00 C ATOM 329 CG PRO A 22 4.432 7.421 -1.514 1.00 0.00 C ATOM 330 CD PRO A 22 3.231 6.555 -1.117 1.00 0.00 C ATOM 0 HA PRO A 22 5.655 6.069 0.663 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.301 8.812 0.182 1.00 0.00 H new ATOM 0 HB3 PRO A 22 5.945 8.365 -0.230 1.00 0.00 H new ATOM 0 HG2 PRO A 22 4.145 8.213 -2.205 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.205 6.833 -2.008 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.317 7.147 -1.070 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.060 5.761 -1.844 1.00 0.00 H new ATOM 338 N SER A 23 5.812 7.910 2.558 1.00 0.00 N ATOM 339 CA SER A 23 5.921 8.426 3.919 1.00 0.00 C ATOM 340 C SER A 23 5.308 9.802 4.061 1.00 0.00 C ATOM 341 O SER A 23 5.736 10.618 4.897 1.00 0.00 O ATOM 342 CB SER A 23 7.398 8.419 4.389 1.00 0.00 C ATOM 343 OG SER A 23 8.243 9.244 3.579 1.00 0.00 O ATOM 0 H SER A 23 6.607 8.134 1.959 1.00 0.00 H new ATOM 0 HA SER A 23 5.350 7.760 4.566 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.447 8.761 5.423 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.774 7.396 4.374 1.00 0.00 H new ATOM 0 HG SER A 23 9.161 9.205 3.919 1.00 0.00 H new ATOM 349 N PHE A 24 4.289 10.088 3.275 1.00 0.00 N ATOM 350 CA PHE A 24 3.491 11.307 3.416 1.00 0.00 C ATOM 351 C PHE A 24 2.147 10.976 4.021 1.00 0.00 C ATOM 352 O PHE A 24 1.409 10.109 3.512 1.00 0.00 O ATOM 353 CB PHE A 24 3.281 11.971 2.022 1.00 0.00 C ATOM 354 CG PHE A 24 2.514 13.302 1.997 1.00 0.00 C ATOM 355 CD1 PHE A 24 3.155 14.480 2.397 1.00 0.00 C ATOM 356 CD2 PHE A 24 1.202 13.361 1.520 1.00 0.00 C ATOM 357 CE1 PHE A 24 2.497 15.702 2.312 1.00 0.00 C ATOM 358 CE2 PHE A 24 0.542 14.585 1.439 1.00 0.00 C ATOM 359 CZ PHE A 24 1.187 15.754 1.839 1.00 0.00 C ATOM 0 H PHE A 24 3.983 9.482 2.513 1.00 0.00 H new ATOM 0 HA PHE A 24 4.021 12.000 4.069 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.261 12.135 1.573 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.752 11.262 1.384 1.00 0.00 H new ATOM 0 HD1 PHE A 24 4.166 14.440 2.774 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.699 12.456 1.214 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.000 16.609 2.612 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.471 14.628 1.066 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.671 16.701 1.782 1.00 0.00 H new ATOM 369 N GLN A 25 1.794 11.620 5.116 1.00 0.00 N ATOM 370 CA GLN A 25 0.602 11.261 5.883 1.00 0.00 C ATOM 371 C GLN A 25 -0.367 12.416 5.966 1.00 0.00 C ATOM 372 O GLN A 25 0.004 13.597 6.002 1.00 0.00 O ATOM 373 CB GLN A 25 1.044 10.807 7.292 1.00 0.00 C ATOM 374 CG GLN A 25 2.462 11.278 7.756 1.00 0.00 C ATOM 375 CD GLN A 25 3.174 10.515 8.880 1.00 0.00 C ATOM 376 OE1 GLN A 25 3.736 9.453 8.664 1.00 0.00 O ATOM 377 NE2 GLN A 25 3.209 11.014 10.089 1.00 0.00 N ATOM 0 H GLN A 25 2.318 12.405 5.504 1.00 0.00 H new ATOM 0 HA GLN A 25 0.080 10.447 5.380 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.310 11.166 8.014 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.017 9.718 7.325 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.115 11.261 6.883 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.376 12.318 8.069 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.745 11.900 10.289 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.700 10.517 10.832 1.00 0.00 H new ATOM 386 N MET A 26 -1.647 12.080 6.019 1.00 0.00 N ATOM 387 CA MET A 26 -2.715 13.064 6.154 1.00 0.00 C ATOM 388 C MET A 26 -2.935 13.431 7.603 1.00 0.00 C ATOM 389 O MET A 26 -2.389 12.812 8.528 1.00 0.00 O ATOM 390 CB MET A 26 -4.023 12.512 5.521 1.00 0.00 C ATOM 391 CG MET A 26 -4.326 11.022 5.789 1.00 0.00 C ATOM 392 SD MET A 26 -6.090 10.716 5.603 1.00 0.00 S ATOM 393 CE MET A 26 -6.675 11.666 7.013 1.00 0.00 C ATOM 0 H MET A 26 -1.977 11.116 5.970 1.00 0.00 H new ATOM 0 HA MET A 26 -2.421 13.971 5.625 1.00 0.00 H new ATOM 0 HB2 MET A 26 -4.860 13.105 5.889 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.974 12.665 4.443 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.764 10.397 5.095 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.005 10.751 6.795 1.00 0.00 H new ATOM 0 HE1 MET A 26 -7.506 11.142 7.485 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.865 11.785 7.733 1.00 0.00 H new ATOM 0 HE3 MET A 26 -7.009 12.648 6.677 1.00 0.00 H new ATOM 403 N SER A 27 -3.761 14.436 7.824 1.00 0.00 N ATOM 404 CA SER A 27 -4.176 14.826 9.170 1.00 0.00 C ATOM 405 C SER A 27 -5.483 15.592 9.113 1.00 0.00 C ATOM 406 O SER A 27 -6.518 15.031 8.689 1.00 0.00 O ATOM 407 CB SER A 27 -3.034 15.594 9.884 1.00 0.00 C ATOM 408 OG SER A 27 -2.413 16.576 9.047 1.00 0.00 O ATOM 0 H SER A 27 -4.166 15.007 7.082 1.00 0.00 H new ATOM 0 HA SER A 27 -4.368 13.938 9.773 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.432 16.082 10.774 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.280 14.883 10.221 1.00 0.00 H new ATOM 0 HG SER A 27 -1.703 17.030 9.547 1.00 0.00 H new ATOM 414 N ASP A 28 -5.512 16.840 9.534 1.00 0.00 N ATOM 415 CA ASP A 28 -6.762 17.595 9.634 1.00 0.00 C ATOM 416 C ASP A 28 -7.169 18.211 8.315 1.00 0.00 C ATOM 417 O ASP A 28 -8.339 18.633 8.152 1.00 0.00 O ATOM 418 CB ASP A 28 -6.639 18.667 10.750 1.00 0.00 C ATOM 419 CG ASP A 28 -5.801 19.912 10.423 1.00 0.00 C ATOM 420 OD1 ASP A 28 -4.721 19.631 9.634 1.00 0.00 O ATOM 421 OD2 ASP A 28 -6.069 21.026 10.848 1.00 0.00 O ATOM 0 H ASP A 28 -4.683 17.363 9.816 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.557 16.898 9.900 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.643 18.994 11.019 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.211 18.191 11.633 1.00 0.00 H new ATOM 426 N ASP A 29 -6.286 18.277 7.338 1.00 0.00 N ATOM 427 CA ASP A 29 -6.569 18.993 6.087 1.00 0.00 C ATOM 428 C ASP A 29 -6.954 18.075 4.947 1.00 0.00 C ATOM 429 O ASP A 29 -7.656 18.473 4.003 1.00 0.00 O ATOM 430 CB ASP A 29 -5.356 19.884 5.713 1.00 0.00 C ATOM 431 CG ASP A 29 -4.899 20.904 6.766 1.00 0.00 C ATOM 432 OD1 ASP A 29 -5.922 21.336 7.564 1.00 0.00 O ATOM 433 OD2 ASP A 29 -3.738 21.269 6.881 1.00 0.00 O ATOM 0 H ASP A 29 -5.362 17.846 7.376 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.442 19.622 6.260 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.513 19.232 5.482 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.600 20.425 4.799 1.00 0.00 H new ATOM 438 N ILE A 30 -6.526 16.829 5.017 1.00 0.00 N ATOM 439 CA ILE A 30 -6.756 15.871 3.938 1.00 0.00 C ATOM 440 C ILE A 30 -8.096 15.191 4.102 1.00 0.00 C ATOM 441 O ILE A 30 -8.544 14.928 5.236 1.00 0.00 O ATOM 442 CB ILE A 30 -5.567 14.832 3.828 1.00 0.00 C ATOM 443 CG1 ILE A 30 -4.370 15.304 2.941 1.00 0.00 C ATOM 444 CG2 ILE A 30 -6.029 13.434 3.314 1.00 0.00 C ATOM 445 CD1 ILE A 30 -3.433 14.192 2.427 1.00 0.00 C ATOM 0 H ILE A 30 -6.013 16.449 5.813 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.783 16.417 2.995 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.217 14.755 4.857 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.770 15.842 2.081 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.777 16.016 3.514 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.171 12.764 3.259 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.769 13.021 4.000 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.471 13.539 2.323 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.640 14.634 1.824 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.994 13.666 3.274 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.002 13.489 1.819 1.00 0.00 H new ATOM 457 N ASP A 31 -8.760 14.882 3.004 1.00 0.00 N ATOM 458 CA ASP A 31 -10.129 14.366 3.055 1.00 0.00 C ATOM 459 C ASP A 31 -10.328 13.130 2.210 1.00 0.00 C ATOM 460 O ASP A 31 -11.043 12.185 2.631 1.00 0.00 O ATOM 461 CB ASP A 31 -11.123 15.492 2.649 1.00 0.00 C ATOM 462 CG ASP A 31 -12.388 15.635 3.505 1.00 0.00 C ATOM 463 OD1 ASP A 31 -13.060 14.681 3.868 1.00 0.00 O ATOM 464 OD2 ASP A 31 -12.689 16.938 3.793 1.00 0.00 O ATOM 0 H ASP A 31 -8.380 14.977 2.062 1.00 0.00 H new ATOM 0 HA ASP A 31 -10.326 14.057 4.081 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.589 16.442 2.670 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.428 15.321 1.617 1.00 0.00 H new ATOM 469 N ASP A 32 -9.727 13.046 1.040 1.00 0.00 N ATOM 470 CA ASP A 32 -10.023 11.965 0.095 1.00 0.00 C ATOM 471 C ASP A 32 -8.911 10.944 0.033 1.00 0.00 C ATOM 472 O ASP A 32 -7.716 11.252 0.144 1.00 0.00 O ATOM 473 CB ASP A 32 -10.339 12.569 -1.300 1.00 0.00 C ATOM 474 CG ASP A 32 -10.565 11.571 -2.445 1.00 0.00 C ATOM 475 OD1 ASP A 32 -9.455 10.817 -2.710 1.00 0.00 O ATOM 476 OD2 ASP A 32 -11.620 11.484 -3.056 1.00 0.00 O ATOM 0 H ASP A 32 -9.027 13.711 0.712 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.902 11.426 0.448 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.230 13.190 -1.209 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.518 13.229 -1.580 1.00 0.00 H new ATOM 481 N ILE A 33 -9.295 9.694 -0.173 1.00 0.00 N ATOM 482 CA ILE A 33 -8.356 8.579 -0.250 1.00 0.00 C ATOM 483 C ILE A 33 -8.793 7.558 -1.277 1.00 0.00 C ATOM 484 O ILE A 33 -9.681 6.726 -1.004 1.00 0.00 O ATOM 485 CB ILE A 33 -8.143 7.903 1.169 1.00 0.00 C ATOM 486 CG1 ILE A 33 -7.812 8.887 2.337 1.00 0.00 C ATOM 487 CG2 ILE A 33 -7.042 6.797 1.145 1.00 0.00 C ATOM 488 CD1 ILE A 33 -8.123 8.369 3.758 1.00 0.00 C ATOM 0 H ILE A 33 -10.270 9.420 -0.292 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.397 8.984 -0.573 1.00 0.00 H new ATOM 0 HB ILE A 33 -9.122 7.469 1.372 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -6.753 9.139 2.286 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.368 9.811 2.177 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.936 6.367 2.141 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.327 6.015 0.441 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.093 7.235 0.837 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.855 9.131 4.490 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.187 8.146 3.839 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.547 7.464 3.949 1.00 0.00 H new ATOM 500 N LYS A 34 -8.187 7.556 -2.449 1.00 0.00 N ATOM 501 CA LYS A 34 -8.633 6.698 -3.546 1.00 0.00 C ATOM 502 C LYS A 34 -7.604 5.645 -3.905 1.00 0.00 C ATOM 503 O LYS A 34 -6.383 5.825 -3.799 1.00 0.00 O ATOM 504 CB LYS A 34 -8.961 7.573 -4.788 1.00 0.00 C ATOM 505 CG LYS A 34 -9.901 8.767 -4.495 1.00 0.00 C ATOM 506 CD LYS A 34 -11.252 8.734 -5.216 1.00 0.00 C ATOM 507 CE LYS A 34 -11.072 9.208 -6.664 1.00 0.00 C ATOM 508 NZ LYS A 34 -12.393 9.497 -7.251 1.00 0.00 N ATOM 0 H LYS A 34 -7.381 8.139 -2.673 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.528 6.171 -3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.029 7.953 -5.206 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.419 6.943 -5.551 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.083 8.809 -3.421 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.386 9.688 -4.767 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.659 7.723 -5.201 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.968 9.374 -4.699 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.446 10.100 -6.691 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.561 8.443 -7.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.427 9.133 -8.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.133 9.038 -6.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.552 10.525 -7.260 1.00 0.00 H new ATOM 522 N TRP A 35 -8.105 4.512 -4.369 1.00 0.00 N ATOM 523 CA TRP A 35 -7.285 3.434 -4.914 1.00 0.00 C ATOM 524 C TRP A 35 -7.972 2.803 -6.104 1.00 0.00 C ATOM 525 O TRP A 35 -9.157 2.436 -6.049 1.00 0.00 O ATOM 526 CB TRP A 35 -7.037 2.355 -3.824 1.00 0.00 C ATOM 527 CG TRP A 35 -5.803 2.592 -2.950 1.00 0.00 C ATOM 528 CD1 TRP A 35 -5.806 3.254 -1.701 1.00 0.00 C ATOM 529 CD2 TRP A 35 -4.512 2.147 -3.146 1.00 0.00 C ATOM 530 NE1 TRP A 35 -4.532 3.226 -1.103 1.00 0.00 N ATOM 531 CE2 TRP A 35 -3.749 2.534 -2.014 1.00 0.00 C ATOM 532 CE3 TRP A 35 -3.906 1.446 -4.222 1.00 0.00 C ATOM 533 CZ2 TRP A 35 -2.384 2.180 -1.926 1.00 0.00 C ATOM 534 CZ3 TRP A 35 -2.552 1.116 -4.114 1.00 0.00 C ATOM 535 CH2 TRP A 35 -1.809 1.455 -2.973 1.00 0.00 C ATOM 0 H TRP A 35 -9.105 4.309 -4.379 1.00 0.00 H new ATOM 0 HA TRP A 35 -6.330 3.850 -5.235 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -7.915 2.302 -3.180 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.939 1.384 -4.310 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.675 3.722 -1.262 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -4.250 3.623 -0.207 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -4.475 1.175 -5.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.796 2.464 -1.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.069 0.590 -4.924 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.775 1.150 -2.903 1.00 0.00 H new ATOM 546 N GLU A 36 -7.251 2.667 -7.200 1.00 0.00 N ATOM 547 CA GLU A 36 -7.838 2.210 -8.456 1.00 0.00 C ATOM 548 C GLU A 36 -7.160 0.959 -8.966 1.00 0.00 C ATOM 549 O GLU A 36 -6.082 0.561 -8.496 1.00 0.00 O ATOM 550 CB GLU A 36 -7.724 3.364 -9.494 1.00 0.00 C ATOM 551 CG GLU A 36 -7.814 4.827 -8.949 1.00 0.00 C ATOM 552 CD GLU A 36 -7.417 5.975 -9.879 1.00 0.00 C ATOM 553 OE1 GLU A 36 -8.409 6.362 -10.728 1.00 0.00 O ATOM 554 OE2 GLU A 36 -6.308 6.494 -9.861 1.00 0.00 O ATOM 0 H GLU A 36 -6.252 2.866 -7.251 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.885 1.953 -8.293 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.773 3.256 -10.016 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.512 3.231 -10.235 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.841 4.999 -8.629 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.188 4.889 -8.059 1.00 0.00 H new ATOM 561 N LYS A 37 -7.773 0.347 -9.962 1.00 0.00 N ATOM 562 CA LYS A 37 -7.180 -0.794 -10.657 1.00 0.00 C ATOM 563 C LYS A 37 -6.500 -0.314 -11.923 1.00 0.00 C ATOM 564 O LYS A 37 -7.166 0.101 -12.883 1.00 0.00 O ATOM 565 CB LYS A 37 -8.273 -1.854 -10.961 1.00 0.00 C ATOM 566 CG LYS A 37 -7.951 -2.750 -12.184 1.00 0.00 C ATOM 567 CD LYS A 37 -8.579 -4.146 -12.143 1.00 0.00 C ATOM 568 CE LYS A 37 -9.770 -4.195 -13.109 1.00 0.00 C ATOM 569 NZ LYS A 37 -10.444 -5.500 -12.992 1.00 0.00 N ATOM 0 H LYS A 37 -8.690 0.620 -10.315 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.428 -1.266 -10.024 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.406 -2.487 -10.084 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.221 -1.345 -11.134 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.289 -2.242 -13.087 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.869 -2.856 -12.264 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.840 -4.898 -12.420 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.908 -4.380 -11.130 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.470 -3.391 -12.882 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.428 -4.041 -14.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.251 -5.534 -13.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.774 -6.259 -13.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.783 -5.630 -12.017 1.00 0.00 H new ATOM 583 N THR A 38 -5.183 -0.332 -11.920 1.00 0.00 N ATOM 584 CA THR A 38 -4.395 0.275 -12.994 1.00 0.00 C ATOM 585 C THR A 38 -4.905 -0.111 -14.365 1.00 0.00 C ATOM 586 O THR A 38 -5.112 0.735 -15.247 1.00 0.00 O ATOM 587 CB THR A 38 -2.878 -0.103 -12.867 1.00 0.00 C ATOM 588 OG1 THR A 38 -2.647 -1.400 -13.399 1.00 0.00 O ATOM 589 CG2 THR A 38 -2.308 -0.147 -11.434 1.00 0.00 C ATOM 0 H THR A 38 -4.624 -0.762 -11.183 1.00 0.00 H new ATOM 0 HA THR A 38 -4.504 1.354 -12.885 1.00 0.00 H new ATOM 0 HB THR A 38 -2.379 0.700 -13.410 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.007 -1.341 -14.138 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.253 -0.419 -11.470 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.414 0.833 -10.970 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.853 -0.887 -10.848 1.00 0.00 H new ATOM 597 N SER A 39 -5.096 -1.401 -14.568 1.00 0.00 N ATOM 598 CA SER A 39 -5.447 -1.947 -15.876 1.00 0.00 C ATOM 599 C SER A 39 -6.648 -1.246 -16.467 1.00 0.00 C ATOM 600 O SER A 39 -6.529 -0.327 -17.292 1.00 0.00 O ATOM 601 CB SER A 39 -5.674 -3.478 -15.793 1.00 0.00 C ATOM 602 OG SER A 39 -6.358 -4.002 -16.937 1.00 0.00 O ATOM 0 H SER A 39 -5.013 -2.104 -13.834 1.00 0.00 H new ATOM 0 HA SER A 39 -4.606 -1.767 -16.546 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.711 -3.978 -15.691 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.249 -3.707 -14.896 1.00 0.00 H new ATOM 0 HG SER A 39 -6.473 -4.970 -16.834 1.00 0.00 H new ATOM 608 N ASP A 40 -7.831 -1.675 -16.068 1.00 0.00 N ATOM 609 CA ASP A 40 -9.074 -1.182 -16.657 1.00 0.00 C ATOM 610 C ASP A 40 -9.463 0.185 -16.137 1.00 0.00 C ATOM 611 O ASP A 40 -10.538 0.714 -16.510 1.00 0.00 O ATOM 612 CB ASP A 40 -10.210 -2.217 -16.430 1.00 0.00 C ATOM 613 CG ASP A 40 -10.481 -3.203 -17.575 1.00 0.00 C ATOM 614 OD1 ASP A 40 -9.662 -4.030 -17.950 1.00 0.00 O ATOM 615 OD2 ASP A 40 -11.726 -3.057 -18.118 1.00 0.00 O ATOM 0 H ASP A 40 -7.963 -2.369 -15.333 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.909 -1.062 -17.728 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.973 -2.792 -15.535 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.131 -1.672 -16.225 1.00 0.00 H new ATOM 620 N LYS A 41 -8.657 0.808 -15.299 1.00 0.00 N ATOM 621 CA LYS A 41 -9.023 2.091 -14.691 1.00 0.00 C ATOM 622 C LYS A 41 -10.339 1.965 -13.955 1.00 0.00 C ATOM 623 O LYS A 41 -11.369 2.554 -14.309 1.00 0.00 O ATOM 624 CB LYS A 41 -9.066 3.183 -15.794 1.00 0.00 C ATOM 625 CG LYS A 41 -7.711 3.946 -15.906 1.00 0.00 C ATOM 626 CD LYS A 41 -7.027 3.877 -17.272 1.00 0.00 C ATOM 627 CE LYS A 41 -8.040 4.169 -18.386 1.00 0.00 C ATOM 628 NZ LYS A 41 -7.445 3.824 -19.691 1.00 0.00 N ATOM 0 H LYS A 41 -7.743 0.454 -15.018 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.276 2.385 -13.954 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.304 2.722 -16.753 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.865 3.891 -15.574 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.882 4.993 -15.658 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.027 3.548 -15.156 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.210 4.598 -17.315 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.589 2.890 -17.418 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.951 3.592 -18.225 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.322 5.222 -18.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.130 4.021 -20.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.588 4.393 -19.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.197 2.814 -19.703 1.00 0.00 H new ATOM 642 N LYS A 42 -10.300 1.181 -12.879 1.00 0.00 N ATOM 643 CA LYS A 42 -11.521 0.831 -12.155 1.00 0.00 C ATOM 644 C LYS A 42 -11.394 0.975 -10.651 1.00 0.00 C ATOM 645 O LYS A 42 -10.814 0.134 -9.952 1.00 0.00 O ATOM 646 CB LYS A 42 -11.920 -0.628 -12.525 1.00 0.00 C ATOM 647 CG LYS A 42 -13.444 -0.807 -12.742 1.00 0.00 C ATOM 648 CD LYS A 42 -14.297 -0.634 -11.482 1.00 0.00 C ATOM 649 CE LYS A 42 -15.738 -1.065 -11.784 1.00 0.00 C ATOM 650 NZ LYS A 42 -15.883 -2.508 -11.518 1.00 0.00 N ATOM 0 H LYS A 42 -9.446 0.780 -12.492 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.296 1.535 -12.458 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.393 -0.923 -13.432 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.591 -1.300 -11.732 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.777 -0.088 -13.491 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.624 -1.801 -13.152 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.889 -1.233 -10.667 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.277 0.406 -11.155 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -16.436 -0.498 -11.167 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.984 -0.849 -12.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.859 -2.802 -11.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.227 -3.040 -12.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.665 -2.701 -10.519 1.00 0.00 H new ATOM 664 N LYS A 43 -11.989 2.034 -10.131 1.00 0.00 N ATOM 665 CA LYS A 43 -12.081 2.285 -8.696 1.00 0.00 C ATOM 666 C LYS A 43 -12.387 1.028 -7.912 1.00 0.00 C ATOM 667 O LYS A 43 -13.037 0.090 -8.396 1.00 0.00 O ATOM 668 CB LYS A 43 -13.174 3.363 -8.436 1.00 0.00 C ATOM 669 CG LYS A 43 -14.583 2.933 -8.918 1.00 0.00 C ATOM 670 CD LYS A 43 -15.505 4.083 -9.332 1.00 0.00 C ATOM 671 CE LYS A 43 -16.694 3.523 -10.126 1.00 0.00 C ATOM 672 NZ LYS A 43 -16.430 3.663 -11.569 1.00 0.00 N ATOM 0 H LYS A 43 -12.430 2.757 -10.699 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.111 2.643 -8.352 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.213 3.581 -7.369 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -12.891 4.287 -8.940 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -14.470 2.256 -9.764 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -15.067 2.369 -8.121 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -15.861 4.614 -8.449 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.956 4.804 -9.938 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -16.852 2.474 -9.874 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -17.607 4.056 -9.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -17.235 3.284 -12.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -16.300 4.668 -11.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -15.568 3.136 -11.817 1.00 0.00 H new ATOM 686 N ILE A 44 -11.913 0.994 -6.678 1.00 0.00 N ATOM 687 CA ILE A 44 -12.008 -0.194 -5.835 1.00 0.00 C ATOM 688 C ILE A 44 -12.148 0.184 -4.379 1.00 0.00 C ATOM 689 O ILE A 44 -13.009 -0.329 -3.649 1.00 0.00 O ATOM 690 CB ILE A 44 -10.785 -1.169 -6.077 1.00 0.00 C ATOM 691 CG1 ILE A 44 -9.400 -0.459 -6.214 1.00 0.00 C ATOM 692 CG2 ILE A 44 -10.982 -2.089 -7.322 1.00 0.00 C ATOM 693 CD1 ILE A 44 -8.186 -1.386 -6.427 1.00 0.00 C ATOM 0 H ILE A 44 -11.452 1.786 -6.230 1.00 0.00 H new ATOM 0 HA ILE A 44 -12.910 -0.736 -6.118 1.00 0.00 H new ATOM 0 HB ILE A 44 -10.769 -1.767 -5.166 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.452 0.238 -7.051 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.227 0.134 -5.316 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -10.112 -2.735 -7.438 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -11.873 -2.701 -7.185 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -11.098 -1.474 -8.214 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.280 -0.786 -6.509 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -8.095 -2.067 -5.581 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.324 -1.961 -7.343 1.00 0.00 H new ATOM 705 N ALA A 45 -11.287 1.074 -3.924 1.00 0.00 N ATOM 706 CA ALA A 45 -11.371 1.640 -2.579 1.00 0.00 C ATOM 707 C ALA A 45 -11.301 3.149 -2.634 1.00 0.00 C ATOM 708 O ALA A 45 -10.327 3.712 -3.188 1.00 0.00 O ATOM 709 CB ALA A 45 -10.241 1.019 -1.739 1.00 0.00 C ATOM 0 H ALA A 45 -10.505 1.430 -4.474 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.326 1.403 -2.111 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.276 1.422 -0.727 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.367 -0.063 -1.703 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.278 1.258 -2.191 1.00 0.00 H new ATOM 715 N GLN A 46 -12.269 3.844 -2.067 1.00 0.00 N ATOM 716 CA GLN A 46 -12.325 5.303 -2.206 1.00 0.00 C ATOM 717 C GLN A 46 -13.063 5.981 -1.072 1.00 0.00 C ATOM 718 O GLN A 46 -14.083 5.519 -0.541 1.00 0.00 O ATOM 719 CB GLN A 46 -12.993 5.637 -3.558 1.00 0.00 C ATOM 720 CG GLN A 46 -12.207 5.219 -4.844 1.00 0.00 C ATOM 721 CD GLN A 46 -12.645 5.781 -6.203 1.00 0.00 C ATOM 722 OE1 GLN A 46 -13.826 5.930 -6.472 1.00 0.00 O ATOM 723 NE2 GLN A 46 -11.745 6.133 -7.086 1.00 0.00 N ATOM 0 H GLN A 46 -13.022 3.437 -1.511 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.305 5.685 -2.170 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -13.971 5.156 -3.584 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.165 6.713 -3.597 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -11.163 5.496 -4.695 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -12.242 4.132 -4.912 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.753 6.016 -6.878 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -12.035 6.525 -7.982 1.00 0.00 H new ATOM 732 N PHE A 47 -12.550 7.142 -0.691 1.00 0.00 N ATOM 733 CA PHE A 47 -13.186 8.037 0.270 1.00 0.00 C ATOM 734 C PHE A 47 -13.339 9.421 -0.320 1.00 0.00 C ATOM 735 O PHE A 47 -12.349 10.052 -0.741 1.00 0.00 O ATOM 736 CB PHE A 47 -12.324 8.137 1.565 1.00 0.00 C ATOM 737 CG PHE A 47 -12.799 7.321 2.777 1.00 0.00 C ATOM 738 CD1 PHE A 47 -12.427 5.984 2.928 1.00 0.00 C ATOM 739 CD2 PHE A 47 -13.559 7.943 3.774 1.00 0.00 C ATOM 740 CE1 PHE A 47 -12.802 5.279 4.070 1.00 0.00 C ATOM 741 CE2 PHE A 47 -13.933 7.239 4.913 1.00 0.00 C ATOM 742 CZ PHE A 47 -13.555 5.906 5.061 1.00 0.00 C ATOM 0 H PHE A 47 -11.663 7.497 -1.047 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.169 7.632 0.511 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -11.308 7.825 1.322 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -12.274 9.185 1.860 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -11.848 5.495 2.159 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -13.856 8.975 3.658 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -12.509 4.246 4.187 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -14.516 7.725 5.682 1.00 0.00 H new ATOM 0 HZ PHE A 47 -13.846 5.358 5.945 1.00 0.00 H new ATOM 752 N ARG A 48 -14.551 9.939 -0.363 1.00 0.00 N ATOM 753 CA ARG A 48 -14.824 11.203 -1.047 1.00 0.00 C ATOM 754 C ARG A 48 -15.834 12.035 -0.292 1.00 0.00 C ATOM 755 O ARG A 48 -16.996 11.621 -0.111 1.00 0.00 O ATOM 756 CB ARG A 48 -15.319 10.892 -2.488 1.00 0.00 C ATOM 757 CG ARG A 48 -14.669 9.653 -3.159 1.00 0.00 C ATOM 758 CD ARG A 48 -15.565 9.021 -4.233 1.00 0.00 C ATOM 759 NE ARG A 48 -16.412 10.085 -4.828 1.00 0.00 N ATOM 760 CZ ARG A 48 -16.022 10.954 -5.751 1.00 0.00 C ATOM 761 NH1 ARG A 48 -14.810 11.038 -6.214 1.00 0.00 N ATOM 762 NH2 ARG A 48 -16.907 11.763 -6.216 1.00 0.00 N ATOM 0 H ARG A 48 -15.369 9.508 0.067 1.00 0.00 H new ATOM 0 HA ARG A 48 -13.907 11.791 -1.094 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -16.399 10.745 -2.460 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.132 11.764 -3.115 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -13.720 9.945 -3.609 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -14.444 8.908 -2.396 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -14.956 8.547 -5.003 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -16.188 8.242 -3.795 1.00 0.00 H new ATOM 0 HE ARG A 48 -17.375 10.154 -4.499 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -14.086 10.409 -5.866 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -14.583 11.733 -6.925 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -17.867 11.720 -5.874 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -16.649 12.447 -6.927 1.00 0.00 H new ATOM 776 N LYS A 49 -15.433 13.197 0.186 1.00 0.00 N ATOM 777 CA LYS A 49 -16.318 14.037 1.000 1.00 0.00 C ATOM 778 C LYS A 49 -16.550 13.379 2.338 1.00 0.00 C ATOM 779 O LYS A 49 -16.381 12.163 2.510 1.00 0.00 O ATOM 780 CB LYS A 49 -17.647 14.292 0.237 1.00 0.00 C ATOM 781 CG LYS A 49 -18.101 15.773 0.273 1.00 0.00 C ATOM 782 CD LYS A 49 -17.792 16.576 -0.993 1.00 0.00 C ATOM 783 CE LYS A 49 -19.074 16.729 -1.822 1.00 0.00 C ATOM 784 NZ LYS A 49 -19.534 18.128 -1.762 1.00 0.00 N ATOM 0 H LYS A 49 -14.504 13.588 0.030 1.00 0.00 H new ATOM 0 HA LYS A 49 -15.853 15.006 1.183 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -17.527 13.981 -0.801 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -18.430 13.669 0.668 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -19.176 15.803 0.451 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -17.623 16.263 1.121 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.397 17.557 -0.728 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -17.024 16.071 -1.579 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.887 16.440 -2.856 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -19.848 16.064 -1.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -20.403 18.232 -2.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -19.727 18.388 -0.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -18.797 18.753 -2.146 1.00 0.00 H new ATOM 798 N GLU A 50 -16.971 14.190 3.311 1.00 0.00 N ATOM 799 CA GLU A 50 -17.163 13.658 4.669 1.00 0.00 C ATOM 800 C GLU A 50 -18.364 12.733 4.836 1.00 0.00 C ATOM 801 O GLU A 50 -18.708 12.295 5.938 1.00 0.00 O ATOM 802 CB GLU A 50 -17.244 14.862 5.645 1.00 0.00 C ATOM 803 CG GLU A 50 -18.317 15.960 5.345 1.00 0.00 C ATOM 804 CD GLU A 50 -18.129 17.348 5.964 1.00 0.00 C ATOM 805 OE1 GLU A 50 -18.116 17.344 7.326 1.00 0.00 O ATOM 806 OE2 GLU A 50 -18.001 18.364 5.294 1.00 0.00 O ATOM 0 H GLU A 50 -17.180 15.182 3.196 1.00 0.00 H new ATOM 0 HA GLU A 50 -16.309 13.019 4.892 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -17.431 14.473 6.646 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -16.266 15.344 5.668 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -18.373 16.083 4.263 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -19.284 15.578 5.673 1.00 0.00 H new ATOM 813 N LYS A 51 -18.980 12.406 3.719 1.00 0.00 N ATOM 814 CA LYS A 51 -19.981 11.353 3.612 1.00 0.00 C ATOM 815 C LYS A 51 -20.112 10.915 2.158 1.00 0.00 C ATOM 816 O LYS A 51 -20.456 11.708 1.275 1.00 0.00 O ATOM 817 CB LYS A 51 -21.382 11.765 4.145 1.00 0.00 C ATOM 818 CG LYS A 51 -21.376 12.664 5.406 1.00 0.00 C ATOM 819 CD LYS A 51 -21.515 11.898 6.730 1.00 0.00 C ATOM 820 CE LYS A 51 -22.706 12.448 7.528 1.00 0.00 C ATOM 821 NZ LYS A 51 -23.943 12.317 6.738 1.00 0.00 N ATOM 0 H LYS A 51 -18.796 12.876 2.833 1.00 0.00 H new ATOM 0 HA LYS A 51 -19.630 10.534 4.240 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.915 12.287 3.350 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -21.948 10.860 4.367 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -20.448 13.235 5.426 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -22.191 13.383 5.329 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -21.658 10.836 6.533 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -20.599 11.994 7.314 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -22.806 11.906 8.469 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -22.534 13.495 7.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -24.743 12.125 7.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -24.118 13.201 6.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -23.842 11.533 6.063 1.00 0.00 H new ATOM 835 N GLU A 52 -19.886 9.637 1.936 1.00 0.00 N ATOM 836 CA GLU A 52 -19.740 9.031 0.618 1.00 0.00 C ATOM 837 C GLU A 52 -18.696 7.934 0.671 1.00 0.00 C ATOM 838 O GLU A 52 -17.545 8.128 0.225 1.00 0.00 O ATOM 839 CB GLU A 52 -19.338 10.109 -0.429 1.00 0.00 C ATOM 840 CG GLU A 52 -19.407 9.718 -1.941 1.00 0.00 C ATOM 841 CD GLU A 52 -20.393 10.467 -2.842 1.00 0.00 C ATOM 842 OE1 GLU A 52 -20.491 11.796 -2.562 1.00 0.00 O ATOM 843 OE2 GLU A 52 -21.031 9.918 -3.730 1.00 0.00 O ATOM 0 H GLU A 52 -19.795 8.961 2.694 1.00 0.00 H new ATOM 0 HA GLU A 52 -20.694 8.598 0.318 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -19.979 10.978 -0.278 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -18.318 10.424 -0.211 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -18.410 9.845 -2.363 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -19.645 8.656 -1.999 1.00 0.00 H new ATOM 850 N THR A 53 -19.031 6.782 1.218 1.00 0.00 N ATOM 851 CA THR A 53 -18.036 5.740 1.478 1.00 0.00 C ATOM 852 C THR A 53 -18.090 4.603 0.481 1.00 0.00 C ATOM 853 O THR A 53 -19.154 4.140 0.047 1.00 0.00 O ATOM 854 CB THR A 53 -18.214 5.185 2.935 1.00 0.00 C ATOM 855 OG1 THR A 53 -19.592 5.131 3.280 1.00 0.00 O ATOM 856 CG2 THR A 53 -17.563 6.009 4.066 1.00 0.00 C ATOM 0 H THR A 53 -19.982 6.536 1.494 1.00 0.00 H new ATOM 0 HA THR A 53 -17.056 6.205 1.369 1.00 0.00 H new ATOM 0 HB THR A 53 -17.719 4.216 2.881 1.00 0.00 H new ATOM 0 HG1 THR A 53 -19.688 4.781 4.190 1.00 0.00 H new ATOM 0 HG21 THR A 53 -17.754 5.526 5.024 1.00 0.00 H new ATOM 0 HG22 THR A 53 -16.488 6.070 3.899 1.00 0.00 H new ATOM 0 HG23 THR A 53 -17.987 7.013 4.075 1.00 0.00 H new ATOM 864 N PHE A 54 -16.919 4.144 0.082 1.00 0.00 N ATOM 865 CA PHE A 54 -16.756 2.942 -0.731 1.00 0.00 C ATOM 866 C PHE A 54 -15.741 2.021 -0.091 1.00 0.00 C ATOM 867 O PHE A 54 -14.537 2.070 -0.416 1.00 0.00 O ATOM 868 CB PHE A 54 -16.267 3.322 -2.161 1.00 0.00 C ATOM 869 CG PHE A 54 -16.112 2.175 -3.172 1.00 0.00 C ATOM 870 CD1 PHE A 54 -16.839 0.992 -2.999 1.00 0.00 C ATOM 871 CD2 PHE A 54 -15.296 2.324 -4.298 1.00 0.00 C ATOM 872 CE1 PHE A 54 -16.756 -0.027 -3.941 1.00 0.00 C ATOM 873 CE2 PHE A 54 -15.211 1.301 -5.238 1.00 0.00 C ATOM 874 CZ PHE A 54 -15.942 0.128 -5.062 1.00 0.00 C ATOM 0 H PHE A 54 -16.037 4.600 0.315 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.719 2.437 -0.800 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -16.966 4.048 -2.576 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -15.304 3.824 -2.068 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -17.468 0.870 -2.129 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -14.731 3.234 -4.438 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -17.321 -0.937 -3.805 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.578 1.417 -6.105 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.878 -0.662 -5.795 1.00 0.00 H new ATOM 884 N LYS A 55 -16.173 1.185 0.834 1.00 0.00 N ATOM 885 CA LYS A 55 -15.249 0.398 1.646 1.00 0.00 C ATOM 886 C LYS A 55 -15.844 -0.889 2.177 1.00 0.00 C ATOM 887 O LYS A 55 -15.272 -1.474 3.137 1.00 0.00 O ATOM 888 CB LYS A 55 -14.772 1.283 2.841 1.00 0.00 C ATOM 889 CG LYS A 55 -15.889 1.526 3.888 1.00 0.00 C ATOM 890 CD LYS A 55 -15.469 1.324 5.347 1.00 0.00 C ATOM 891 CE LYS A 55 -15.435 2.684 6.055 1.00 0.00 C ATOM 892 NZ LYS A 55 -16.808 3.087 6.410 1.00 0.00 N ATOM 0 H LYS A 55 -17.159 1.029 1.046 1.00 0.00 H new ATOM 0 HA LYS A 55 -14.420 0.104 1.002 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -13.922 0.803 3.327 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -14.421 2.242 2.460 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -16.260 2.544 3.771 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -16.721 0.857 3.670 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -16.168 0.656 5.850 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -14.488 0.852 5.393 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.819 2.624 6.952 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.981 3.433 5.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -16.786 4.009 6.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -17.383 3.160 5.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -17.225 2.376 7.044 1.00 0.00 H new ATOM 906 N GLU A 56 -16.957 -1.373 1.665 1.00 0.00 N ATOM 907 CA GLU A 56 -17.565 -2.609 2.166 1.00 0.00 C ATOM 908 C GLU A 56 -17.045 -3.817 1.422 1.00 0.00 C ATOM 909 O GLU A 56 -17.757 -4.445 0.621 1.00 0.00 O ATOM 910 CB GLU A 56 -19.111 -2.501 2.041 1.00 0.00 C ATOM 911 CG GLU A 56 -19.964 -3.496 2.897 1.00 0.00 C ATOM 912 CD GLU A 56 -20.401 -4.817 2.259 1.00 0.00 C ATOM 913 OE1 GLU A 56 -19.688 -5.811 2.230 1.00 0.00 O ATOM 914 OE2 GLU A 56 -21.656 -4.782 1.729 1.00 0.00 O ATOM 0 H GLU A 56 -17.468 -0.934 0.899 1.00 0.00 H new ATOM 0 HA GLU A 56 -17.295 -2.739 3.214 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -19.403 -1.486 2.311 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -19.377 -2.641 0.993 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -19.394 -3.734 3.795 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -20.863 -2.970 3.220 1.00 0.00 H new ATOM 921 N LYS A 57 -15.804 -4.184 1.683 1.00 0.00 N ATOM 922 CA LYS A 57 -15.144 -5.259 0.945 1.00 0.00 C ATOM 923 C LYS A 57 -13.732 -5.465 1.441 1.00 0.00 C ATOM 924 O LYS A 57 -12.845 -4.614 1.218 1.00 0.00 O ATOM 925 CB LYS A 57 -15.158 -4.924 -0.572 1.00 0.00 C ATOM 926 CG LYS A 57 -14.223 -5.822 -1.420 1.00 0.00 C ATOM 927 CD LYS A 57 -14.078 -5.396 -2.884 1.00 0.00 C ATOM 928 CE LYS A 57 -14.976 -6.279 -3.760 1.00 0.00 C ATOM 929 NZ LYS A 57 -16.373 -5.822 -3.649 1.00 0.00 N ATOM 0 H LYS A 57 -15.225 -3.754 2.404 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.686 -6.190 1.109 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.177 -5.021 -0.946 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.867 -3.882 -0.707 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.235 -5.831 -0.959 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.599 -6.845 -1.389 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.355 -4.348 -2.999 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.039 -5.487 -3.200 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.648 -6.232 -4.799 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.897 -7.320 -3.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -16.940 -6.252 -4.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.758 -6.105 -2.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.407 -4.786 -3.736 1.00 0.00 H new ATOM 943 N ASP A 58 -13.480 -6.559 2.135 1.00 0.00 N ATOM 944 CA ASP A 58 -12.170 -6.780 2.757 1.00 0.00 C ATOM 945 C ASP A 58 -11.083 -7.009 1.729 1.00 0.00 C ATOM 946 O ASP A 58 -9.906 -6.677 1.929 1.00 0.00 O ATOM 947 CB ASP A 58 -12.231 -7.949 3.775 1.00 0.00 C ATOM 948 CG ASP A 58 -13.396 -7.954 4.773 1.00 0.00 C ATOM 949 OD1 ASP A 58 -13.363 -7.354 5.839 1.00 0.00 O ATOM 950 OD2 ASP A 58 -14.453 -8.714 4.355 1.00 0.00 O ATOM 0 H ASP A 58 -14.154 -7.309 2.287 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.911 -5.869 3.297 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.264 -8.883 3.214 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.301 -7.950 4.343 1.00 0.00 H new ATOM 955 N THR A 59 -11.471 -7.608 0.614 1.00 0.00 N ATOM 956 CA THR A 59 -10.505 -7.946 -0.430 1.00 0.00 C ATOM 957 C THR A 59 -9.826 -6.702 -0.949 1.00 0.00 C ATOM 958 O THR A 59 -8.815 -6.778 -1.675 1.00 0.00 O ATOM 959 CB THR A 59 -11.174 -8.729 -1.612 1.00 0.00 C ATOM 960 OG1 THR A 59 -10.179 -9.227 -2.500 1.00 0.00 O ATOM 961 CG2 THR A 59 -12.138 -7.931 -2.515 1.00 0.00 C ATOM 0 H THR A 59 -12.435 -7.869 0.406 1.00 0.00 H new ATOM 0 HA THR A 59 -9.757 -8.598 0.020 1.00 0.00 H new ATOM 0 HB THR A 59 -11.749 -9.494 -1.090 1.00 0.00 H new ATOM 0 HG1 THR A 59 -9.466 -8.562 -2.599 1.00 0.00 H new ATOM 0 HG21 THR A 59 -12.533 -8.585 -3.293 1.00 0.00 H new ATOM 0 HG22 THR A 59 -12.961 -7.542 -1.915 1.00 0.00 H new ATOM 0 HG23 THR A 59 -11.602 -7.102 -2.976 1.00 0.00 H new ATOM 969 N TYR A 60 -10.374 -5.537 -0.659 1.00 0.00 N ATOM 970 CA TYR A 60 -9.688 -4.279 -0.958 1.00 0.00 C ATOM 971 C TYR A 60 -10.078 -3.197 0.022 1.00 0.00 C ATOM 972 O TYR A 60 -11.069 -2.468 -0.187 1.00 0.00 O ATOM 973 CB TYR A 60 -10.047 -3.772 -2.384 1.00 0.00 C ATOM 974 CG TYR A 60 -9.407 -4.518 -3.561 1.00 0.00 C ATOM 975 CD1 TYR A 60 -9.997 -5.675 -4.079 1.00 0.00 C ATOM 976 CD2 TYR A 60 -8.215 -4.043 -4.117 1.00 0.00 C ATOM 977 CE1 TYR A 60 -9.390 -6.358 -5.130 1.00 0.00 C ATOM 978 CE2 TYR A 60 -7.612 -4.726 -5.169 1.00 0.00 C ATOM 979 CZ TYR A 60 -8.200 -5.882 -5.675 1.00 0.00 C ATOM 980 OH TYR A 60 -7.611 -6.552 -6.710 1.00 0.00 O ATOM 0 H TYR A 60 -11.288 -5.428 -0.219 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.620 -4.483 -0.887 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -11.130 -3.819 -2.499 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.765 -2.721 -2.453 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -10.925 -6.040 -3.663 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.761 -3.143 -3.729 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -9.842 -7.257 -5.522 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.689 -4.360 -5.593 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.644 -6.604 -6.558 1.00 0.00 H new ATOM 990 N LYS A 61 -9.347 -3.057 1.112 1.00 0.00 N ATOM 991 CA LYS A 61 -9.704 -2.119 2.176 1.00 0.00 C ATOM 992 C LYS A 61 -8.883 -0.851 2.100 1.00 0.00 C ATOM 993 O LYS A 61 -7.810 -0.785 1.484 1.00 0.00 O ATOM 994 CB LYS A 61 -9.520 -2.815 3.553 1.00 0.00 C ATOM 995 CG LYS A 61 -10.808 -2.857 4.413 1.00 0.00 C ATOM 996 CD LYS A 61 -10.803 -1.918 5.623 1.00 0.00 C ATOM 997 CE LYS A 61 -11.670 -2.516 6.739 1.00 0.00 C ATOM 998 NZ LYS A 61 -12.996 -2.869 6.201 1.00 0.00 N ATOM 0 H LYS A 61 -8.492 -3.584 1.291 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.747 -1.830 2.051 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.171 -3.835 3.390 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.740 -2.296 4.110 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.659 -2.606 3.780 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.961 -3.878 4.763 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.783 -1.772 5.979 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.184 -0.938 5.337 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.187 -3.401 7.153 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.776 -1.800 7.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.670 -2.981 6.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -13.326 -2.114 5.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.929 -3.761 5.671 1.00 0.00 H new ATOM 1012 N LEU A 62 -9.375 0.191 2.747 1.00 0.00 N ATOM 1013 CA LEU A 62 -8.684 1.472 2.868 1.00 0.00 C ATOM 1014 C LEU A 62 -8.168 1.667 4.275 1.00 0.00 C ATOM 1015 O LEU A 62 -8.765 1.151 5.247 1.00 0.00 O ATOM 1016 CB LEU A 62 -9.633 2.638 2.463 1.00 0.00 C ATOM 1017 CG LEU A 62 -9.799 2.946 0.951 1.00 0.00 C ATOM 1018 CD1 LEU A 62 -10.537 4.270 0.692 1.00 0.00 C ATOM 1019 CD2 LEU A 62 -8.427 2.974 0.264 1.00 0.00 C ATOM 0 H LEU A 62 -10.282 0.175 3.213 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.830 1.471 2.191 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.621 2.423 2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.277 3.545 2.952 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.410 2.147 0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.624 4.434 -0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -11.532 4.224 1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.978 5.092 1.140 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.555 3.191 -0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.807 3.746 0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.942 2.005 0.380 1.00 0.00 H new ATOM 1031 N PHE A 63 -7.094 2.413 4.457 1.00 0.00 N ATOM 1032 CA PHE A 63 -6.596 2.738 5.794 1.00 0.00 C ATOM 1033 C PHE A 63 -6.330 4.219 5.940 1.00 0.00 C ATOM 1034 O PHE A 63 -6.350 4.986 4.966 1.00 0.00 O ATOM 1035 CB PHE A 63 -5.273 1.963 6.078 1.00 0.00 C ATOM 1036 CG PHE A 63 -5.365 0.429 6.127 1.00 0.00 C ATOM 1037 CD1 PHE A 63 -6.598 -0.187 6.367 1.00 0.00 C ATOM 1038 CD2 PHE A 63 -4.217 -0.357 5.997 1.00 0.00 C ATOM 1039 CE1 PHE A 63 -6.689 -1.573 6.435 1.00 0.00 C ATOM 1040 CE2 PHE A 63 -4.308 -1.745 6.072 1.00 0.00 C ATOM 1041 CZ PHE A 63 -5.545 -2.353 6.284 1.00 0.00 C ATOM 0 H PHE A 63 -6.543 2.810 3.696 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.365 2.445 6.508 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.548 2.236 5.311 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -4.874 2.310 7.031 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.483 0.417 6.500 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.257 0.112 5.838 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.646 -2.044 6.605 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.420 -2.351 5.966 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.616 -3.430 6.331 1.00 0.00 H new ATOM 1051 N LYS A 64 -6.058 4.647 7.160 1.00 0.00 N ATOM 1052 CA LYS A 64 -5.880 6.063 7.478 1.00 0.00 C ATOM 1053 C LYS A 64 -4.647 6.622 6.808 1.00 0.00 C ATOM 1054 O LYS A 64 -4.695 7.611 6.063 1.00 0.00 O ATOM 1055 CB LYS A 64 -5.798 6.247 9.019 1.00 0.00 C ATOM 1056 CG LYS A 64 -6.661 7.415 9.559 1.00 0.00 C ATOM 1057 CD LYS A 64 -6.362 8.785 8.943 1.00 0.00 C ATOM 1058 CE LYS A 64 -5.945 9.763 10.050 1.00 0.00 C ATOM 1059 NZ LYS A 64 -7.086 10.003 10.951 1.00 0.00 N ATOM 0 H LYS A 64 -5.953 4.026 7.963 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.740 6.615 7.098 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.112 5.322 9.503 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.759 6.416 9.300 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.711 7.179 9.388 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.521 7.481 10.638 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.567 8.697 8.202 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.243 9.162 8.423 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.104 9.356 10.612 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.610 10.703 9.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.000 10.949 11.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.973 9.945 10.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.091 9.285 11.704 1.00 0.00 H new ATOM 1073 N ASN A 65 -3.517 5.979 7.045 1.00 0.00 N ATOM 1074 CA ASN A 65 -2.260 6.358 6.404 1.00 0.00 C ATOM 1075 C ASN A 65 -2.390 6.420 4.898 1.00 0.00 C ATOM 1076 O ASN A 65 -1.592 7.101 4.218 1.00 0.00 O ATOM 1077 CB ASN A 65 -1.144 5.354 6.813 1.00 0.00 C ATOM 1078 CG ASN A 65 -1.506 3.870 6.933 1.00 0.00 C ATOM 1079 OD1 ASN A 65 -2.500 3.392 6.405 1.00 0.00 O ATOM 1080 ND2 ASN A 65 -0.706 3.064 7.666 1.00 0.00 N ATOM 0 H ASN A 65 -3.440 5.185 7.681 1.00 0.00 H new ATOM 0 HA ASN A 65 -1.995 7.359 6.745 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.337 5.441 6.086 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.743 5.677 7.774 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.936 2.076 7.771 1.00 0.00 H new ATOM 0 HD22 ASN A 65 0.128 3.444 8.114 1.00 0.00 H new ATOM 1086 N GLY A 66 -3.372 5.750 4.327 1.00 0.00 N ATOM 1087 CA GLY A 66 -3.491 5.649 2.872 1.00 0.00 C ATOM 1088 C GLY A 66 -2.948 4.338 2.353 1.00 0.00 C ATOM 1089 O GLY A 66 -2.517 4.231 1.190 1.00 0.00 O ATOM 0 H GLY A 66 -4.105 5.264 4.844 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.538 5.747 2.586 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.954 6.475 2.405 1.00 0.00 H new ATOM 1093 N THR A 67 -2.928 3.318 3.190 1.00 0.00 N ATOM 1094 CA THR A 67 -2.557 1.972 2.760 1.00 0.00 C ATOM 1095 C THR A 67 -3.770 1.197 2.305 1.00 0.00 C ATOM 1096 O THR A 67 -4.895 1.400 2.788 1.00 0.00 O ATOM 1097 CB THR A 67 -1.818 1.214 3.915 1.00 0.00 C ATOM 1098 OG1 THR A 67 -0.409 1.339 3.771 1.00 0.00 O ATOM 1099 CG2 THR A 67 -2.065 -0.307 4.004 1.00 0.00 C ATOM 0 H THR A 67 -3.165 3.391 4.179 1.00 0.00 H new ATOM 0 HA THR A 67 -1.877 2.060 1.913 1.00 0.00 H new ATOM 0 HB THR A 67 -2.229 1.687 4.807 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.038 0.862 4.501 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.501 -0.719 4.841 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.128 -0.495 4.155 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.741 -0.783 3.079 1.00 0.00 H new ATOM 1107 N LEU A 68 -3.570 0.308 1.352 1.00 0.00 N ATOM 1108 CA LEU A 68 -4.619 -0.609 0.912 1.00 0.00 C ATOM 1109 C LEU A 68 -4.355 -2.005 1.426 1.00 0.00 C ATOM 1110 O LEU A 68 -3.207 -2.376 1.728 1.00 0.00 O ATOM 1111 CB LEU A 68 -4.743 -0.592 -0.637 1.00 0.00 C ATOM 1112 CG LEU A 68 -5.920 -1.357 -1.301 1.00 0.00 C ATOM 1113 CD1 LEU A 68 -7.150 -0.445 -1.408 1.00 0.00 C ATOM 1114 CD2 LEU A 68 -5.560 -1.906 -2.693 1.00 0.00 C ATOM 0 H LEU A 68 -2.684 0.196 0.860 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.570 -0.275 1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.807 0.450 -0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.816 -0.993 -1.047 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.143 -2.211 -0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.969 -0.992 -1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.451 -0.122 -0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.904 0.427 -2.014 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.419 -2.431 -3.110 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.285 -1.081 -3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.720 -2.595 -2.606 1.00 0.00 H new ATOM 1126 N LYS A 69 -5.397 -2.803 1.565 1.00 0.00 N ATOM 1127 CA LYS A 69 -5.256 -4.174 2.051 1.00 0.00 C ATOM 1128 C LYS A 69 -6.047 -5.135 1.195 1.00 0.00 C ATOM 1129 O LYS A 69 -7.267 -4.994 1.016 1.00 0.00 O ATOM 1130 CB LYS A 69 -5.711 -4.250 3.534 1.00 0.00 C ATOM 1131 CG LYS A 69 -5.782 -5.697 4.084 1.00 0.00 C ATOM 1132 CD LYS A 69 -6.901 -5.949 5.098 1.00 0.00 C ATOM 1133 CE LYS A 69 -6.284 -6.346 6.446 1.00 0.00 C ATOM 1134 NZ LYS A 69 -5.479 -7.569 6.275 1.00 0.00 N ATOM 0 H LYS A 69 -6.356 -2.530 1.349 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.207 -4.465 1.987 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.022 -3.670 4.148 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.692 -3.785 3.629 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.910 -6.382 3.246 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.827 -5.940 4.551 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.511 -5.053 5.214 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.561 -6.739 4.740 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.660 -5.537 6.825 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.070 -6.515 7.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.568 -8.164 7.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.820 -8.096 5.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.481 -7.311 6.136 1.00 0.00 H new ATOM 1148 N ILE A 70 -5.379 -6.144 0.668 1.00 0.00 N ATOM 1149 CA ILE A 70 -6.024 -7.134 -0.194 1.00 0.00 C ATOM 1150 C ILE A 70 -5.944 -8.509 0.428 1.00 0.00 C ATOM 1151 O ILE A 70 -4.876 -9.131 0.518 1.00 0.00 O ATOM 1152 CB ILE A 70 -5.437 -7.095 -1.664 1.00 0.00 C ATOM 1153 CG1 ILE A 70 -5.201 -5.658 -2.231 1.00 0.00 C ATOM 1154 CG2 ILE A 70 -6.314 -7.881 -2.687 1.00 0.00 C ATOM 1155 CD1 ILE A 70 -4.097 -5.526 -3.299 1.00 0.00 C ATOM 0 H ILE A 70 -4.383 -6.306 0.819 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.080 -6.880 -0.283 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.467 -7.580 -1.552 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.137 -5.299 -2.659 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.956 -4.997 -1.400 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -5.862 -7.819 -3.677 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.380 -8.926 -2.383 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.314 -7.448 -2.717 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.023 -4.487 -3.619 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.144 -5.845 -2.878 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.343 -6.153 -4.156 1.00 0.00 H new ATOM 1167 N LYS A 71 -7.090 -9.012 0.857 1.00 0.00 N ATOM 1168 CA LYS A 71 -7.149 -10.250 1.630 1.00 0.00 C ATOM 1169 C LYS A 71 -7.077 -11.499 0.774 1.00 0.00 C ATOM 1170 O LYS A 71 -7.659 -11.607 -0.313 1.00 0.00 O ATOM 1171 CB LYS A 71 -8.454 -10.253 2.478 1.00 0.00 C ATOM 1172 CG LYS A 71 -8.256 -10.818 3.906 1.00 0.00 C ATOM 1173 CD LYS A 71 -9.532 -10.907 4.747 1.00 0.00 C ATOM 1174 CE LYS A 71 -9.275 -10.280 6.124 1.00 0.00 C ATOM 1175 NZ LYS A 71 -7.895 -10.575 6.546 1.00 0.00 N ATOM 0 H LYS A 71 -7.999 -8.582 0.684 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.269 -10.275 2.273 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.836 -9.235 2.548 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.212 -10.843 1.963 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.819 -11.813 3.830 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.535 -10.192 4.432 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.349 -10.389 4.245 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.836 -11.948 4.859 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.431 -9.202 6.080 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.982 -10.675 6.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.843 -10.579 7.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.612 -11.507 6.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.254 -9.848 6.170 1.00 0.00 H new ATOM 1189 N HIS A 72 -6.360 -12.487 1.289 1.00 0.00 N ATOM 1190 CA HIS A 72 -6.287 -13.820 0.699 1.00 0.00 C ATOM 1191 C HIS A 72 -5.979 -13.754 -0.777 1.00 0.00 C ATOM 1192 O HIS A 72 -6.883 -13.909 -1.627 1.00 0.00 O ATOM 1193 CB HIS A 72 -7.669 -14.461 0.928 1.00 0.00 C ATOM 1194 CG HIS A 72 -7.741 -15.878 0.439 1.00 0.00 C ATOM 1195 ND1 HIS A 72 -8.413 -16.312 -0.701 1.00 0.00 N ATOM 1196 CD2 HIS A 72 -7.129 -16.932 1.101 1.00 0.00 C ATOM 1197 CE1 HIS A 72 -8.153 -17.632 -0.632 1.00 0.00 C ATOM 1198 NE2 HIS A 72 -7.395 -18.082 0.404 1.00 0.00 N ATOM 0 H HIS A 72 -5.805 -12.387 2.139 1.00 0.00 H new ATOM 0 HA HIS A 72 -5.487 -14.402 1.157 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -7.904 -14.436 1.992 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.429 -13.867 0.420 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -6.545 -16.859 2.007 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -8.535 -18.313 -1.378 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -7.099 -19.036 0.610 1.00 0.00 H new ATOM 1207 N LEU A 73 -4.729 -13.550 -1.143 1.00 0.00 N ATOM 1208 CA LEU A 73 -4.346 -13.301 -2.535 1.00 0.00 C ATOM 1209 C LEU A 73 -3.340 -14.277 -3.111 1.00 0.00 C ATOM 1210 O LEU A 73 -2.187 -14.399 -2.678 1.00 0.00 O ATOM 1211 CB LEU A 73 -3.762 -11.853 -2.650 1.00 0.00 C ATOM 1212 CG LEU A 73 -2.717 -11.605 -3.771 1.00 0.00 C ATOM 1213 CD1 LEU A 73 -2.984 -10.267 -4.472 1.00 0.00 C ATOM 1214 CD2 LEU A 73 -1.270 -11.632 -3.253 1.00 0.00 C ATOM 0 H LEU A 73 -3.945 -13.550 -0.491 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.257 -13.431 -3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.592 -11.163 -2.801 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.303 -11.595 -1.695 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.828 -12.425 -4.481 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.241 -10.111 -5.254 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.980 -10.281 -4.915 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.921 -9.457 -3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.584 -11.453 -4.081 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.139 -10.856 -2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.060 -12.606 -2.812 1.00 0.00 H new ATOM 1226 N LYS A 74 -3.761 -14.970 -4.158 1.00 0.00 N ATOM 1227 CA LYS A 74 -2.915 -15.804 -4.999 1.00 0.00 C ATOM 1228 C LYS A 74 -2.690 -15.145 -6.346 1.00 0.00 C ATOM 1229 O LYS A 74 -2.885 -13.932 -6.511 1.00 0.00 O ATOM 1230 CB LYS A 74 -3.561 -17.207 -5.162 1.00 0.00 C ATOM 1231 CG LYS A 74 -4.972 -17.317 -4.529 1.00 0.00 C ATOM 1232 CD LYS A 74 -5.513 -18.745 -4.408 1.00 0.00 C ATOM 1233 CE LYS A 74 -6.666 -18.937 -5.402 1.00 0.00 C ATOM 1234 NZ LYS A 74 -7.569 -19.990 -4.907 1.00 0.00 N ATOM 0 H LYS A 74 -4.736 -14.967 -4.456 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.942 -15.924 -4.523 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.628 -17.446 -6.223 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.909 -17.953 -4.708 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.945 -16.868 -3.536 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -5.669 -16.729 -5.126 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.720 -19.465 -4.610 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.860 -18.930 -3.391 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.213 -18.002 -5.526 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.274 -19.210 -6.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.351 -20.121 -5.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.042 -20.882 -4.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.952 -19.712 -3.981 1.00 0.00 H new ATOM 1248 N THR A 75 -2.249 -15.921 -7.317 1.00 0.00 N ATOM 1249 CA THR A 75 -2.069 -15.414 -8.680 1.00 0.00 C ATOM 1250 C THR A 75 -3.290 -14.674 -9.189 1.00 0.00 C ATOM 1251 O THR A 75 -3.210 -13.769 -10.030 1.00 0.00 O ATOM 1252 CB THR A 75 -1.701 -16.587 -9.649 1.00 0.00 C ATOM 1253 OG1 THR A 75 -0.465 -17.178 -9.268 1.00 0.00 O ATOM 1254 CG2 THR A 75 -1.509 -16.215 -11.135 1.00 0.00 C ATOM 0 H THR A 75 -2.007 -16.904 -7.196 1.00 0.00 H new ATOM 0 HA THR A 75 -1.249 -14.696 -8.651 1.00 0.00 H new ATOM 0 HB THR A 75 -2.567 -17.243 -9.563 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.250 -17.911 -9.882 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.257 -17.110 -11.704 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.432 -15.784 -11.524 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.702 -15.488 -11.227 1.00 0.00 H new ATOM 1262 N ASP A 76 -4.439 -15.050 -8.656 1.00 0.00 N ATOM 1263 CA ASP A 76 -5.714 -14.463 -9.055 1.00 0.00 C ATOM 1264 C ASP A 76 -5.912 -13.101 -8.433 1.00 0.00 C ATOM 1265 O ASP A 76 -6.462 -12.175 -9.058 1.00 0.00 O ATOM 1266 CB ASP A 76 -6.879 -15.429 -8.713 1.00 0.00 C ATOM 1267 CG ASP A 76 -7.442 -16.265 -9.872 1.00 0.00 C ATOM 1268 OD1 ASP A 76 -8.279 -15.550 -10.683 1.00 0.00 O ATOM 1269 OD2 ASP A 76 -7.157 -17.441 -10.047 1.00 0.00 O ATOM 0 H ASP A 76 -4.519 -15.768 -7.936 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.704 -14.316 -10.135 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.538 -16.112 -7.935 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.694 -14.843 -8.288 1.00 0.00 H new ATOM 1274 N ASP A 77 -5.497 -12.940 -7.190 1.00 0.00 N ATOM 1275 CA ASP A 77 -5.538 -11.634 -6.530 1.00 0.00 C ATOM 1276 C ASP A 77 -4.408 -10.736 -6.980 1.00 0.00 C ATOM 1277 O ASP A 77 -4.436 -9.509 -6.720 1.00 0.00 O ATOM 1278 CB ASP A 77 -5.560 -11.818 -4.989 1.00 0.00 C ATOM 1279 CG ASP A 77 -6.899 -12.275 -4.385 1.00 0.00 C ATOM 1280 OD1 ASP A 77 -7.346 -13.402 -4.536 1.00 0.00 O ATOM 1281 OD2 ASP A 77 -7.513 -11.293 -3.660 1.00 0.00 O ATOM 0 H ASP A 77 -5.126 -13.694 -6.611 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.458 -11.130 -6.825 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.795 -12.546 -4.719 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.279 -10.872 -4.526 1.00 0.00 H new ATOM 1286 N GLN A 78 -3.412 -11.257 -7.670 1.00 0.00 N ATOM 1287 CA GLN A 78 -2.253 -10.458 -8.078 1.00 0.00 C ATOM 1288 C GLN A 78 -2.609 -9.536 -9.220 1.00 0.00 C ATOM 1289 O GLN A 78 -2.731 -9.945 -10.383 1.00 0.00 O ATOM 1290 CB GLN A 78 -1.107 -11.413 -8.476 1.00 0.00 C ATOM 1291 CG GLN A 78 0.158 -10.747 -9.113 1.00 0.00 C ATOM 1292 CD GLN A 78 0.661 -11.244 -10.474 1.00 0.00 C ATOM 1293 OE1 GLN A 78 0.284 -10.727 -11.514 1.00 0.00 O ATOM 1294 NE2 GLN A 78 1.528 -12.221 -10.533 1.00 0.00 N ATOM 0 H GLN A 78 -3.374 -12.233 -7.965 1.00 0.00 H new ATOM 0 HA GLN A 78 -1.931 -9.832 -7.246 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.794 -11.962 -7.588 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.500 -12.145 -9.181 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -0.046 -9.680 -9.208 1.00 0.00 H new ATOM 0 HG3 GLN A 78 0.977 -10.853 -8.402 1.00 0.00 H new ATOM 0 HE21 GLN A 78 1.855 -12.665 -9.675 1.00 0.00 H new ATOM 0 HE22 GLN A 78 1.878 -12.539 -11.437 1.00 0.00 H new ATOM 1303 N ASP A 79 -2.795 -8.269 -8.899 1.00 0.00 N ATOM 1304 CA ASP A 79 -3.128 -7.259 -9.897 1.00 0.00 C ATOM 1305 C ASP A 79 -2.225 -6.053 -9.773 1.00 0.00 C ATOM 1306 O ASP A 79 -1.391 -5.940 -8.863 1.00 0.00 O ATOM 1307 CB ASP A 79 -4.625 -6.868 -9.785 1.00 0.00 C ATOM 1308 CG ASP A 79 -5.428 -6.825 -11.093 1.00 0.00 C ATOM 1309 OD1 ASP A 79 -5.884 -7.824 -11.629 1.00 0.00 O ATOM 1310 OD2 ASP A 79 -5.593 -5.555 -11.572 1.00 0.00 O ATOM 0 H ASP A 79 -2.721 -7.909 -7.948 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.963 -7.681 -10.888 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.111 -7.573 -9.111 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.686 -5.886 -9.316 1.00 0.00 H new ATOM 1315 N ILE A 80 -2.394 -5.115 -10.686 1.00 0.00 N ATOM 1316 CA ILE A 80 -1.695 -3.833 -10.623 1.00 0.00 C ATOM 1317 C ILE A 80 -2.621 -2.760 -10.090 1.00 0.00 C ATOM 1318 O ILE A 80 -3.829 -2.748 -10.370 1.00 0.00 O ATOM 1319 CB ILE A 80 -1.048 -3.478 -12.025 1.00 0.00 C ATOM 1320 CG1 ILE A 80 -0.055 -4.555 -12.570 1.00 0.00 C ATOM 1321 CG2 ILE A 80 -0.313 -2.102 -12.031 1.00 0.00 C ATOM 1322 CD1 ILE A 80 0.167 -4.558 -14.096 1.00 0.00 C ATOM 0 H ILE A 80 -3.014 -5.213 -11.490 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.864 -3.901 -9.921 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.914 -3.439 -12.686 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.909 -4.411 -12.083 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.418 -5.539 -12.274 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.108 -1.919 -13.020 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.021 -1.310 -11.785 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.488 -2.114 -11.292 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.873 -5.345 -14.359 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.782 -4.738 -14.601 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.567 -3.593 -14.407 1.00 0.00 H new ATOM 1334 N TYR A 81 -2.083 -1.858 -9.292 1.00 0.00 N ATOM 1335 CA TYR A 81 -2.864 -0.867 -8.555 1.00 0.00 C ATOM 1336 C TYR A 81 -2.216 0.494 -8.606 1.00 0.00 C ATOM 1337 O TYR A 81 -1.090 0.666 -9.092 1.00 0.00 O ATOM 1338 CB TYR A 81 -2.987 -1.300 -7.058 1.00 0.00 C ATOM 1339 CG TYR A 81 -3.427 -2.758 -6.853 1.00 0.00 C ATOM 1340 CD1 TYR A 81 -4.778 -3.106 -6.804 1.00 0.00 C ATOM 1341 CD2 TYR A 81 -2.451 -3.750 -6.732 1.00 0.00 C ATOM 1342 CE1 TYR A 81 -5.148 -4.439 -6.643 1.00 0.00 C ATOM 1343 CE2 TYR A 81 -2.823 -5.080 -6.566 1.00 0.00 C ATOM 1344 CZ TYR A 81 -4.172 -5.423 -6.517 1.00 0.00 C ATOM 1345 OH TYR A 81 -4.536 -6.730 -6.350 1.00 0.00 O ATOM 0 H TYR A 81 -1.078 -1.787 -9.131 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.848 -0.808 -9.021 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -2.024 -1.152 -6.569 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.701 -0.644 -6.560 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -5.536 -2.342 -6.891 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.405 -3.484 -6.767 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -6.193 -4.709 -6.616 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -2.067 -5.846 -6.475 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.736 -7.296 -6.360 1.00 0.00 H new ATOM 1355 N LYS A 82 -2.937 1.492 -8.129 1.00 0.00 N ATOM 1356 CA LYS A 82 -2.383 2.836 -7.982 1.00 0.00 C ATOM 1357 C LYS A 82 -3.141 3.615 -6.936 1.00 0.00 C ATOM 1358 O LYS A 82 -4.314 3.321 -6.634 1.00 0.00 O ATOM 1359 CB LYS A 82 -2.426 3.558 -9.358 1.00 0.00 C ATOM 1360 CG LYS A 82 -1.908 5.017 -9.317 1.00 0.00 C ATOM 1361 CD LYS A 82 -1.707 5.664 -10.691 1.00 0.00 C ATOM 1362 CE LYS A 82 -2.937 5.389 -11.566 1.00 0.00 C ATOM 1363 NZ LYS A 82 -3.035 6.423 -12.612 1.00 0.00 N ATOM 0 H LYS A 82 -3.910 1.402 -7.835 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.347 2.767 -7.649 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -1.830 2.991 -10.074 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.452 3.557 -9.726 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.612 5.622 -8.745 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.960 5.037 -8.779 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.557 6.738 -10.581 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.811 5.264 -11.167 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.860 4.402 -12.021 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.839 5.388 -10.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.868 6.238 -13.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.127 7.359 -12.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.178 6.403 -13.201 1.00 0.00 H new ATOM 1377 N VAL A 83 -2.502 4.603 -6.339 1.00 0.00 N ATOM 1378 CA VAL A 83 -3.101 5.341 -5.228 1.00 0.00 C ATOM 1379 C VAL A 83 -3.029 6.833 -5.460 1.00 0.00 C ATOM 1380 O VAL A 83 -1.979 7.409 -5.780 1.00 0.00 O ATOM 1381 CB VAL A 83 -2.391 4.943 -3.873 1.00 0.00 C ATOM 1382 CG1 VAL A 83 -0.899 5.354 -3.730 1.00 0.00 C ATOM 1383 CG2 VAL A 83 -3.088 5.501 -2.610 1.00 0.00 C ATOM 0 H VAL A 83 -1.568 4.918 -6.600 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.155 5.073 -5.163 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.466 3.857 -3.937 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.523 5.027 -2.761 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.315 4.886 -4.522 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.811 6.438 -3.807 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.541 5.184 -1.722 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.106 6.590 -2.656 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.109 5.123 -2.561 1.00 0.00 H new ATOM 1393 N SER A 84 -4.168 7.487 -5.320 1.00 0.00 N ATOM 1394 CA SER A 84 -4.279 8.938 -5.432 1.00 0.00 C ATOM 1395 C SER A 84 -5.103 9.491 -4.290 1.00 0.00 C ATOM 1396 O SER A 84 -6.338 9.389 -4.264 1.00 0.00 O ATOM 1397 CB SER A 84 -4.851 9.340 -6.814 1.00 0.00 C ATOM 1398 OG SER A 84 -6.080 8.673 -7.121 1.00 0.00 O ATOM 0 H SER A 84 -5.055 7.024 -5.123 1.00 0.00 H new ATOM 0 HA SER A 84 -3.284 9.376 -5.360 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.013 10.418 -6.836 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.116 9.112 -7.586 1.00 0.00 H new ATOM 0 HG SER A 84 -6.798 9.334 -7.206 1.00 0.00 H new ATOM 1404 N ILE A 85 -4.421 10.082 -3.327 1.00 0.00 N ATOM 1405 CA ILE A 85 -5.067 10.519 -2.087 1.00 0.00 C ATOM 1406 C ILE A 85 -5.065 12.028 -2.001 1.00 0.00 C ATOM 1407 O ILE A 85 -3.994 12.661 -1.875 1.00 0.00 O ATOM 1408 CB ILE A 85 -4.411 9.812 -0.830 1.00 0.00 C ATOM 1409 CG1 ILE A 85 -3.819 8.386 -1.117 1.00 0.00 C ATOM 1410 CG2 ILE A 85 -5.386 9.709 0.384 1.00 0.00 C ATOM 1411 CD1 ILE A 85 -4.522 7.220 -0.393 1.00 0.00 C ATOM 0 H ILE A 85 -3.420 10.274 -3.372 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.112 10.209 -2.092 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.581 10.474 -0.582 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.861 8.203 -2.191 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.766 8.385 -0.835 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.882 9.216 1.215 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.695 10.709 0.689 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.264 9.130 0.098 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.037 6.281 -0.659 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.457 7.369 0.685 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.570 7.185 -0.692 1.00 0.00 H new ATOM 1423 N TYR A 86 -6.223 12.658 -2.048 1.00 0.00 N ATOM 1424 CA TYR A 86 -6.329 14.110 -2.202 1.00 0.00 C ATOM 1425 C TYR A 86 -6.815 14.791 -0.944 1.00 0.00 C ATOM 1426 O TYR A 86 -7.284 14.173 0.022 1.00 0.00 O ATOM 1427 CB TYR A 86 -7.328 14.455 -3.348 1.00 0.00 C ATOM 1428 CG TYR A 86 -7.544 13.373 -4.414 1.00 0.00 C ATOM 1429 CD1 TYR A 86 -6.477 12.960 -5.217 1.00 0.00 C ATOM 1430 CD2 TYR A 86 -8.806 12.799 -4.595 1.00 0.00 C ATOM 1431 CE1 TYR A 86 -6.685 12.035 -6.236 1.00 0.00 C ATOM 1432 CE2 TYR A 86 -9.010 11.869 -5.611 1.00 0.00 C ATOM 1433 CZ TYR A 86 -7.950 11.485 -6.427 1.00 0.00 C ATOM 1434 OH TYR A 86 -8.155 10.570 -7.421 1.00 0.00 O ATOM 0 H TYR A 86 -7.123 12.183 -1.981 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.326 14.470 -2.430 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.293 14.691 -2.900 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.978 15.360 -3.845 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -5.488 13.360 -5.046 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.623 13.077 -3.946 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -5.866 11.744 -6.878 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -9.991 11.445 -5.766 1.00 0.00 H new ATOM 0 HH TYR A 86 -8.830 10.910 -8.045 1.00 0.00 H new ATOM 1444 N ASP A 87 -6.686 16.110 -0.932 1.00 0.00 N ATOM 1445 CA ASP A 87 -7.156 16.947 0.167 1.00 0.00 C ATOM 1446 C ASP A 87 -8.613 17.305 -0.012 1.00 0.00 C ATOM 1447 O ASP A 87 -9.344 16.728 -0.829 1.00 0.00 O ATOM 1448 CB ASP A 87 -6.257 18.208 0.294 1.00 0.00 C ATOM 1449 CG ASP A 87 -6.292 19.192 -0.886 1.00 0.00 C ATOM 1450 OD1 ASP A 87 -6.130 18.843 -2.046 1.00 0.00 O ATOM 1451 OD2 ASP A 87 -6.528 20.481 -0.498 1.00 0.00 O ATOM 0 H ASP A 87 -6.249 16.635 -1.690 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.081 16.387 1.099 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.548 18.746 1.196 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.227 17.881 0.436 1.00 0.00 H new ATOM 1456 N THR A 88 -9.051 18.294 0.750 1.00 0.00 N ATOM 1457 CA THR A 88 -10.424 18.784 0.683 1.00 0.00 C ATOM 1458 C THR A 88 -10.741 19.358 -0.677 1.00 0.00 C ATOM 1459 O THR A 88 -11.886 19.289 -1.160 1.00 0.00 O ATOM 1460 CB THR A 88 -10.681 19.851 1.802 1.00 0.00 C ATOM 1461 OG1 THR A 88 -9.748 20.919 1.695 1.00 0.00 O ATOM 1462 CG2 THR A 88 -10.545 19.362 3.259 1.00 0.00 C ATOM 0 H THR A 88 -8.469 18.781 1.432 1.00 0.00 H new ATOM 0 HA THR A 88 -11.088 17.935 0.848 1.00 0.00 H new ATOM 0 HB THR A 88 -11.719 20.133 1.625 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.923 21.578 2.399 1.00 0.00 H new ATOM 0 HG21 THR A 88 -10.746 20.189 3.940 1.00 0.00 H new ATOM 0 HG22 THR A 88 -11.260 18.559 3.442 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.533 18.992 3.426 1.00 0.00 H new ATOM 1470 N LYS A 89 -9.756 19.957 -1.321 1.00 0.00 N ATOM 1471 CA LYS A 89 -9.984 20.669 -2.578 1.00 0.00 C ATOM 1472 C LYS A 89 -9.803 19.774 -3.783 1.00 0.00 C ATOM 1473 O LYS A 89 -9.522 20.258 -4.901 1.00 0.00 O ATOM 1474 CB LYS A 89 -9.020 21.887 -2.654 1.00 0.00 C ATOM 1475 CG LYS A 89 -8.871 22.639 -1.308 1.00 0.00 C ATOM 1476 CD LYS A 89 -10.129 23.377 -0.842 1.00 0.00 C ATOM 1477 CE LYS A 89 -10.319 24.640 -1.693 1.00 0.00 C ATOM 1478 NZ LYS A 89 -11.174 25.595 -0.967 1.00 0.00 N ATOM 0 H LYS A 89 -8.788 19.968 -0.999 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.019 21.011 -2.594 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.038 21.544 -2.981 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.383 22.582 -3.411 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.580 21.924 -0.539 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.057 23.358 -1.398 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.000 22.728 -0.933 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -10.039 23.644 0.211 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.352 25.094 -1.911 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -10.774 24.382 -2.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -11.304 26.452 -1.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.100 25.160 -0.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -10.723 25.849 -0.065 1.00 0.00 H new ATOM 1492 N GLY A 90 -9.936 18.471 -3.619 1.00 0.00 N ATOM 1493 CA GLY A 90 -9.840 17.539 -4.739 1.00 0.00 C ATOM 1494 C GLY A 90 -8.458 17.536 -5.348 1.00 0.00 C ATOM 1495 O GLY A 90 -8.243 16.971 -6.441 1.00 0.00 O ATOM 0 H GLY A 90 -10.112 18.027 -2.718 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.089 16.534 -4.398 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -10.572 17.808 -5.500 1.00 0.00 H new ATOM 1499 N LYS A 91 -7.485 18.129 -4.683 1.00 0.00 N ATOM 1500 CA LYS A 91 -6.131 18.230 -5.227 1.00 0.00 C ATOM 1501 C LYS A 91 -5.325 16.995 -4.904 1.00 0.00 C ATOM 1502 O LYS A 91 -5.027 16.707 -3.731 1.00 0.00 O ATOM 1503 CB LYS A 91 -5.438 19.501 -4.659 1.00 0.00 C ATOM 1504 CG LYS A 91 -5.466 20.710 -5.625 1.00 0.00 C ATOM 1505 CD LYS A 91 -5.762 22.062 -4.968 1.00 0.00 C ATOM 1506 CE LYS A 91 -4.919 22.205 -3.694 1.00 0.00 C ATOM 1507 NZ LYS A 91 -3.506 22.409 -4.059 1.00 0.00 N ATOM 0 H LYS A 91 -7.601 18.551 -3.762 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.192 18.310 -6.312 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.924 19.782 -3.725 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.402 19.263 -4.420 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.503 20.773 -6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.218 20.524 -6.392 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.535 22.873 -5.660 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.822 22.137 -4.726 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.277 23.046 -3.101 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.021 21.313 -3.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.943 22.557 -3.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.153 21.571 -4.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.423 23.244 -4.674 1.00 0.00 H new ATOM 1521 N ASN A 92 -4.968 16.228 -5.917 1.00 0.00 N ATOM 1522 CA ASN A 92 -4.114 15.057 -5.726 1.00 0.00 C ATOM 1523 C ASN A 92 -2.769 15.460 -5.164 1.00 0.00 C ATOM 1524 O ASN A 92 -1.817 15.797 -5.882 1.00 0.00 O ATOM 1525 CB ASN A 92 -3.962 14.292 -7.072 1.00 0.00 C ATOM 1526 CG ASN A 92 -3.098 14.899 -8.180 1.00 0.00 C ATOM 1527 OD1 ASN A 92 -3.067 16.196 -8.327 1.00 0.00 O flip ATOM 1528 ND2 ASN A 92 -2.449 14.204 -8.953 1.00 0.00 N flip ATOM 0 H ASN A 92 -5.253 16.390 -6.883 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.581 14.389 -5.002 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -3.559 13.305 -6.845 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -4.962 14.143 -7.480 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -2.459 13.189 -8.857 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -1.899 14.641 -9.693 1.00 0.00 H new ATOM 1535 N VAL A 93 -2.679 15.450 -3.844 1.00 0.00 N ATOM 1536 CA VAL A 93 -1.497 15.931 -3.132 1.00 0.00 C ATOM 1537 C VAL A 93 -0.323 14.998 -3.345 1.00 0.00 C ATOM 1538 O VAL A 93 0.849 15.393 -3.389 1.00 0.00 O ATOM 1539 CB VAL A 93 -1.829 16.086 -1.595 1.00 0.00 C ATOM 1540 CG1 VAL A 93 -2.825 17.220 -1.219 1.00 0.00 C ATOM 1541 CG2 VAL A 93 -2.398 14.799 -0.946 1.00 0.00 C ATOM 0 H VAL A 93 -3.421 15.109 -3.232 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.216 16.906 -3.529 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.841 16.333 -1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.975 17.229 -0.139 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.420 18.181 -1.537 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -3.779 17.046 -1.716 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.601 14.983 0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.322 14.516 -1.450 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.671 13.992 -1.040 1.00 0.00 H new ATOM 1551 N LEU A 94 -0.650 13.716 -3.459 1.00 0.00 N ATOM 1552 CA LEU A 94 0.336 12.703 -3.815 1.00 0.00 C ATOM 1553 C LEU A 94 -0.296 11.561 -4.584 1.00 0.00 C ATOM 1554 O LEU A 94 -1.440 11.143 -4.357 1.00 0.00 O ATOM 1555 CB LEU A 94 1.080 12.168 -2.558 1.00 0.00 C ATOM 1556 CG LEU A 94 1.883 10.845 -2.696 1.00 0.00 C ATOM 1557 CD1 LEU A 94 3.215 11.113 -3.413 1.00 0.00 C ATOM 1558 CD2 LEU A 94 2.150 10.165 -1.344 1.00 0.00 C ATOM 0 H LEU A 94 -1.592 13.353 -3.310 1.00 0.00 H new ATOM 0 HA LEU A 94 1.069 13.183 -4.464 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.768 12.943 -2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.343 12.031 -1.767 1.00 0.00 H new ATOM 0 HG LEU A 94 1.270 10.162 -3.284 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.772 10.181 -3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.019 11.519 -4.405 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.800 11.830 -2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.714 9.246 -1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.724 10.837 -0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.201 9.929 -0.862 1.00 0.00 H new ATOM 1570 N GLU A 95 0.478 11.021 -5.511 1.00 0.00 N ATOM 1571 CA GLU A 95 0.067 9.894 -6.340 1.00 0.00 C ATOM 1572 C GLU A 95 1.199 8.904 -6.488 1.00 0.00 C ATOM 1573 O GLU A 95 2.385 9.252 -6.335 1.00 0.00 O ATOM 1574 CB GLU A 95 -0.387 10.438 -7.724 1.00 0.00 C ATOM 1575 CG GLU A 95 0.690 11.177 -8.587 1.00 0.00 C ATOM 1576 CD GLU A 95 0.454 11.314 -10.093 1.00 0.00 C ATOM 1577 OE1 GLU A 95 0.487 10.363 -10.862 1.00 0.00 O ATOM 1578 OE2 GLU A 95 0.205 12.591 -10.495 1.00 0.00 O ATOM 0 H GLU A 95 1.420 11.355 -5.713 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.763 9.369 -5.869 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.772 9.601 -8.307 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.219 11.123 -7.562 1.00 0.00 H new ATOM 0 HG2 GLU A 95 0.810 12.180 -8.178 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.639 10.660 -8.446 1.00 0.00 H new ATOM 1585 N LYS A 96 0.875 7.655 -6.764 1.00 0.00 N ATOM 1586 CA LYS A 96 1.888 6.604 -6.845 1.00 0.00 C ATOM 1587 C LYS A 96 1.327 5.344 -7.464 1.00 0.00 C ATOM 1588 O LYS A 96 0.124 5.052 -7.402 1.00 0.00 O ATOM 1589 CB LYS A 96 2.451 6.322 -5.426 1.00 0.00 C ATOM 1590 CG LYS A 96 3.918 5.822 -5.434 1.00 0.00 C ATOM 1591 CD LYS A 96 4.954 6.869 -5.853 1.00 0.00 C ATOM 1592 CE LYS A 96 5.969 7.059 -4.718 1.00 0.00 C ATOM 1593 NZ LYS A 96 6.708 8.317 -4.925 1.00 0.00 N ATOM 0 H LYS A 96 -0.079 7.337 -6.937 1.00 0.00 H new ATOM 0 HA LYS A 96 2.697 6.946 -7.491 1.00 0.00 H new ATOM 0 HB2 LYS A 96 2.389 7.233 -4.831 1.00 0.00 H new ATOM 0 HB3 LYS A 96 1.824 5.577 -4.936 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.169 5.462 -4.436 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.992 4.969 -6.108 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.463 6.550 -6.762 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.462 7.815 -6.078 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.456 7.080 -3.757 1.00 0.00 H new ATOM 0 HE3 LYS A 96 6.662 6.218 -4.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.396 8.446 -4.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.209 8.279 -5.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.041 9.115 -4.930 1.00 0.00 H new ATOM 1607 N ILE A 97 2.209 4.560 -8.058 1.00 0.00 N ATOM 1608 CA ILE A 97 1.826 3.372 -8.815 1.00 0.00 C ATOM 1609 C ILE A 97 2.304 2.118 -8.123 1.00 0.00 C ATOM 1610 O ILE A 97 3.394 2.065 -7.534 1.00 0.00 O ATOM 1611 CB ILE A 97 2.337 3.462 -10.312 1.00 0.00 C ATOM 1612 CG1 ILE A 97 2.451 4.916 -10.872 1.00 0.00 C ATOM 1613 CG2 ILE A 97 1.467 2.627 -11.301 1.00 0.00 C ATOM 1614 CD1 ILE A 97 3.257 5.076 -12.178 1.00 0.00 C ATOM 0 H ILE A 97 3.215 4.726 -8.031 1.00 0.00 H new ATOM 0 HA ILE A 97 0.738 3.324 -8.854 1.00 0.00 H new ATOM 0 HB ILE A 97 3.341 3.041 -10.253 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.445 5.299 -11.040 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.908 5.544 -10.107 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.866 2.728 -12.310 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.487 1.578 -11.006 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.440 2.991 -11.279 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.269 6.126 -12.472 1.00 0.00 H new ATOM 0 HD12 ILE A 97 4.279 4.732 -12.019 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.793 4.484 -12.967 1.00 0.00 H new ATOM 1626 N PHE A 98 1.479 1.089 -8.155 1.00 0.00 N ATOM 1627 CA PHE A 98 1.790 -0.178 -7.498 1.00 0.00 C ATOM 1628 C PHE A 98 1.623 -1.345 -8.443 1.00 0.00 C ATOM 1629 O PHE A 98 0.987 -1.247 -9.503 1.00 0.00 O ATOM 1630 CB PHE A 98 0.842 -0.380 -6.277 1.00 0.00 C ATOM 1631 CG PHE A 98 0.905 0.706 -5.187 1.00 0.00 C ATOM 1632 CD1 PHE A 98 0.426 1.989 -5.478 1.00 0.00 C ATOM 1633 CD2 PHE A 98 1.486 0.452 -3.943 1.00 0.00 C ATOM 1634 CE1 PHE A 98 0.536 3.007 -4.539 1.00 0.00 C ATOM 1635 CE2 PHE A 98 1.585 1.472 -2.999 1.00 0.00 C ATOM 1636 CZ PHE A 98 1.116 2.749 -3.299 1.00 0.00 C ATOM 0 H PHE A 98 0.578 1.101 -8.633 1.00 0.00 H new ATOM 0 HA PHE A 98 2.829 -0.139 -7.172 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.183 -0.440 -6.644 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.073 -1.341 -5.818 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.031 2.188 -6.436 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.859 -0.535 -3.713 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.172 3.997 -4.770 1.00 0.00 H new ATOM 0 HE2 PHE A 98 2.026 1.272 -2.034 1.00 0.00 H new ATOM 0 HZ PHE A 98 1.202 3.540 -2.569 1.00 0.00 H new ATOM 1646 N ASP A 99 2.200 -2.474 -8.073 1.00 0.00 N ATOM 1647 CA ASP A 99 2.022 -3.722 -8.811 1.00 0.00 C ATOM 1648 C ASP A 99 2.174 -4.914 -7.897 1.00 0.00 C ATOM 1649 O ASP A 99 3.282 -5.265 -7.460 1.00 0.00 O ATOM 1650 CB ASP A 99 3.005 -3.784 -10.009 1.00 0.00 C ATOM 1651 CG ASP A 99 4.316 -2.996 -9.867 1.00 0.00 C ATOM 1652 OD1 ASP A 99 4.176 -1.673 -10.181 1.00 0.00 O ATOM 1653 OD2 ASP A 99 5.371 -3.513 -9.529 1.00 0.00 O ATOM 0 H ASP A 99 2.804 -2.557 -7.256 1.00 0.00 H new ATOM 0 HA ASP A 99 1.009 -3.751 -9.211 1.00 0.00 H new ATOM 0 HB2 ASP A 99 3.254 -4.829 -10.191 1.00 0.00 H new ATOM 0 HB3 ASP A 99 2.484 -3.422 -10.895 1.00 0.00 H new ATOM 1658 N LEU A 100 1.070 -5.576 -7.603 1.00 0.00 N ATOM 1659 CA LEU A 100 1.091 -6.765 -6.753 1.00 0.00 C ATOM 1660 C LEU A 100 1.693 -7.939 -7.486 1.00 0.00 C ATOM 1661 O LEU A 100 1.569 -8.079 -8.713 1.00 0.00 O ATOM 1662 CB LEU A 100 -0.340 -7.100 -6.246 1.00 0.00 C ATOM 1663 CG LEU A 100 -0.607 -7.046 -4.717 1.00 0.00 C ATOM 1664 CD1 LEU A 100 -0.383 -8.401 -4.026 1.00 0.00 C ATOM 1665 CD2 LEU A 100 0.283 -5.979 -4.064 1.00 0.00 C ATOM 0 H LEU A 100 0.143 -5.314 -7.938 1.00 0.00 H new ATOM 0 HA LEU A 100 1.718 -6.555 -5.886 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.034 -6.413 -6.730 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.590 -8.103 -6.593 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.658 -6.787 -4.589 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.584 -8.303 -2.959 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -1.055 -9.144 -4.455 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.650 -8.718 -4.173 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.088 -5.949 -2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 100 1.331 -6.225 -4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.063 -5.005 -4.500 1.00 0.00 H new ATOM 1677 N LYS A 101 2.340 -8.824 -6.749 1.00 0.00 N ATOM 1678 CA LYS A 101 3.079 -9.930 -7.351 1.00 0.00 C ATOM 1679 C LYS A 101 2.906 -11.217 -6.576 1.00 0.00 C ATOM 1680 O LYS A 101 2.451 -11.250 -5.424 1.00 0.00 O ATOM 1681 CB LYS A 101 4.592 -9.565 -7.428 1.00 0.00 C ATOM 1682 CG LYS A 101 4.883 -8.188 -8.072 1.00 0.00 C ATOM 1683 CD LYS A 101 5.832 -8.211 -9.275 1.00 0.00 C ATOM 1684 CE LYS A 101 5.860 -6.817 -9.917 1.00 0.00 C ATOM 1685 NZ LYS A 101 6.980 -6.041 -9.355 1.00 0.00 N ATOM 0 H LYS A 101 2.371 -8.802 -5.730 1.00 0.00 H new ATOM 0 HA LYS A 101 2.678 -10.091 -8.352 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.008 -9.577 -6.421 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.111 -10.336 -7.997 1.00 0.00 H new ATOM 0 HG2 LYS A 101 3.937 -7.746 -8.385 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.305 -7.532 -7.311 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.834 -8.500 -8.958 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.501 -8.953 -10.001 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.970 -6.905 -10.998 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.918 -6.301 -9.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.706 -5.040 -9.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 7.216 -6.406 -8.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 7.809 -6.128 -9.977 1.00 0.00 H new ATOM 1699 N ILE A 102 3.250 -12.314 -7.223 1.00 0.00 N ATOM 1700 CA ILE A 102 3.361 -13.618 -6.574 1.00 0.00 C ATOM 1701 C ILE A 102 4.745 -14.180 -6.814 1.00 0.00 C ATOM 1702 O ILE A 102 5.347 -13.988 -7.883 1.00 0.00 O ATOM 1703 CB ILE A 102 2.232 -14.635 -7.014 1.00 0.00 C ATOM 1704 CG1 ILE A 102 0.779 -14.063 -6.952 1.00 0.00 C ATOM 1705 CG2 ILE A 102 2.264 -15.961 -6.190 1.00 0.00 C ATOM 1706 CD1 ILE A 102 0.275 -13.662 -5.550 1.00 0.00 C ATOM 0 H ILE A 102 3.463 -12.332 -8.220 1.00 0.00 H new ATOM 0 HA ILE A 102 3.209 -13.470 -5.505 1.00 0.00 H new ATOM 0 HB ILE A 102 2.474 -14.832 -8.058 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.725 -13.189 -7.601 1.00 0.00 H new ATOM 0 HG13 ILE A 102 0.098 -14.808 -7.363 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.468 -16.622 -6.533 1.00 0.00 H new ATOM 0 HG22 ILE A 102 3.228 -16.451 -6.327 1.00 0.00 H new ATOM 0 HG23 ILE A 102 2.118 -15.736 -5.133 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.743 -13.279 -5.625 1.00 0.00 H new ATOM 0 HD12 ILE A 102 0.287 -14.534 -4.896 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.924 -12.890 -5.137 1.00 0.00 H new ATOM 1718 N GLN A 103 5.266 -14.899 -5.840 1.00 0.00 N ATOM 1719 CA GLN A 103 6.656 -15.347 -5.869 1.00 0.00 C ATOM 1720 C GLN A 103 6.755 -16.845 -5.694 1.00 0.00 C ATOM 1721 O GLN A 103 5.856 -17.508 -5.158 1.00 0.00 O ATOM 1722 CB GLN A 103 7.432 -14.588 -4.768 1.00 0.00 C ATOM 1723 CG GLN A 103 8.524 -15.397 -3.994 1.00 0.00 C ATOM 1724 CD GLN A 103 8.213 -15.905 -2.581 1.00 0.00 C ATOM 1725 OE1 GLN A 103 7.082 -15.838 -2.123 1.00 0.00 O ATOM 1726 NE2 GLN A 103 9.169 -16.396 -1.834 1.00 0.00 N ATOM 0 H GLN A 103 4.749 -15.190 -5.011 1.00 0.00 H new ATOM 0 HA GLN A 103 7.097 -15.125 -6.841 1.00 0.00 H new ATOM 0 HB2 GLN A 103 7.910 -13.721 -5.225 1.00 0.00 H new ATOM 0 HB3 GLN A 103 6.711 -14.209 -4.043 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.787 -16.262 -4.604 1.00 0.00 H new ATOM 0 HG3 GLN A 103 9.414 -14.770 -3.930 1.00 0.00 H new ATOM 0 HE21 GLN A 103 10.119 -16.460 -2.199 1.00 0.00 H new ATOM 0 HE22 GLN A 103 8.964 -16.715 -0.887 1.00 0.00 H new