USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 717 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 37 SER OG : rot -36:sc= 0.215 USER MOD Set 1.2: A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.0489 K(o=-0.049,f=-1.3) USER MOD Single : A 18 ASN : amide:sc= -2.34! C(o=-2.3!,f=-13!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -51:sc= 1.13 USER MOD Single : A 39 SER OG : rot 160:sc= -1.71 USER MOD Single : A 41 TYR OH : rot 165:sc=-0.00866 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -149:sc= -0.189 (180deg=-1.09) USER MOD Single : A 50 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.551) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -7.35! C(o=-7.4!,f=-8.6!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.513 X(o=-0.51,f=-0.049) USER MOD Single : A 78 ASN : amide:sc= -8.49! C(o=-8.5!,f=-15!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc=-0.00261 X(o=-0.0026,f=-0.085) USER MOD Single : A 95 CYS SG : rot 180:sc= -1.04 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.0455 X(o=-0.045,f=-0.0082) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 72:sc= 0.609 USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 9.113 13.012 5.662 1.00 0.00 N ATOM 67 CA VAL A 8 8.065 12.020 5.457 1.00 0.00 C ATOM 68 C VAL A 8 6.860 12.631 4.751 1.00 0.00 C ATOM 69 O VAL A 8 6.579 13.821 4.898 1.00 0.00 O ATOM 70 CB VAL A 8 7.606 11.405 6.793 1.00 0.00 C ATOM 71 CG1 VAL A 8 6.962 12.463 7.675 1.00 0.00 C ATOM 72 CG2 VAL A 8 6.647 10.250 6.545 1.00 0.00 C ATOM 0 HA VAL A 8 8.490 11.235 4.831 1.00 0.00 H new ATOM 0 HB VAL A 8 8.481 11.016 7.314 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.644 12.010 8.614 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.683 13.254 7.880 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.096 12.885 7.164 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.333 9.827 7.499 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.773 10.612 6.003 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.147 9.482 5.955 1.00 0.00 H new ATOM 82 N ILE A 9 6.152 11.809 3.984 1.00 0.00 N ATOM 83 CA ILE A 9 4.976 12.268 3.256 1.00 0.00 C ATOM 84 C ILE A 9 3.698 11.691 3.855 1.00 0.00 C ATOM 85 O ILE A 9 2.658 12.350 3.877 1.00 0.00 O ATOM 86 CB ILE A 9 5.050 11.884 1.766 1.00 0.00 C ATOM 87 CG1 ILE A 9 6.320 12.456 1.132 1.00 0.00 C ATOM 88 CG2 ILE A 9 3.815 12.379 1.029 1.00 0.00 C ATOM 89 CD1 ILE A 9 6.605 11.909 -0.249 1.00 0.00 C ATOM 0 H ILE A 9 6.372 10.822 3.851 1.00 0.00 H new ATOM 0 HA ILE A 9 4.957 13.354 3.342 1.00 0.00 H new ATOM 0 HB ILE A 9 5.085 10.797 1.688 1.00 0.00 H new ATOM 0 HG12 ILE A 9 6.230 13.541 1.073 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.169 12.241 1.781 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.882 12.100 -0.022 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.925 11.929 1.468 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.752 13.464 1.113 1.00 0.00 H new ATOM 0 HD11 ILE A 9 7.519 12.358 -0.637 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.727 10.827 -0.194 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.774 12.147 -0.913 1.00 0.00 H new ATOM 101 N ARG A 10 3.784 10.457 4.341 1.00 0.00 N ATOM 102 CA ARG A 10 2.635 9.791 4.942 1.00 0.00 C ATOM 103 C ARG A 10 3.059 8.506 5.647 1.00 0.00 C ATOM 104 O ARG A 10 3.962 7.805 5.192 1.00 0.00 O ATOM 105 CB ARG A 10 1.585 9.476 3.874 1.00 0.00 C ATOM 106 CG ARG A 10 0.188 9.271 4.435 1.00 0.00 C ATOM 107 CD ARG A 10 -0.490 10.598 4.740 1.00 0.00 C ATOM 108 NE ARG A 10 -0.196 11.065 6.092 1.00 0.00 N ATOM 109 CZ ARG A 10 -0.346 12.326 6.483 1.00 0.00 C ATOM 110 NH1 ARG A 10 -0.785 13.240 5.629 1.00 0.00 N ATOM 111 NH2 ARG A 10 -0.057 12.674 7.730 1.00 0.00 N ATOM 0 H ARG A 10 4.637 9.898 4.330 1.00 0.00 H new ATOM 0 HA ARG A 10 2.202 10.465 5.681 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.561 10.290 3.150 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.886 8.578 3.334 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.414 8.710 3.720 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.244 8.672 5.344 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.162 11.347 4.019 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.568 10.490 4.620 1.00 0.00 H new ATOM 0 HE ARG A 10 0.143 10.386 6.774 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.008 12.976 4.669 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.899 14.207 5.931 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.281 11.973 8.390 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.173 13.642 8.029 1.00 0.00 H new ATOM 125 N ARG A 11 2.400 8.204 6.762 1.00 0.00 N ATOM 126 CA ARG A 11 2.710 7.005 7.531 1.00 0.00 C ATOM 127 C ARG A 11 1.573 6.666 8.490 1.00 0.00 C ATOM 128 O ARG A 11 0.871 7.552 8.975 1.00 0.00 O ATOM 129 CB ARG A 11 4.011 7.197 8.313 1.00 0.00 C ATOM 130 CG ARG A 11 4.156 8.581 8.923 1.00 0.00 C ATOM 131 CD ARG A 11 5.363 8.660 9.845 1.00 0.00 C ATOM 132 NE ARG A 11 5.841 10.030 10.006 1.00 0.00 N ATOM 133 CZ ARG A 11 6.543 10.445 11.055 1.00 0.00 C ATOM 134 NH1 ARG A 11 6.847 9.600 12.029 1.00 0.00 N ATOM 135 NH2 ARG A 11 6.942 11.709 11.129 1.00 0.00 N ATOM 0 H ARG A 11 1.649 8.773 7.152 1.00 0.00 H new ATOM 0 HA ARG A 11 2.833 6.177 6.833 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.061 6.452 9.107 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.855 7.012 7.649 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.254 9.321 8.129 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.254 8.830 9.481 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.101 8.251 10.821 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.166 8.041 9.445 1.00 0.00 H new ATOM 0 HE ARG A 11 5.624 10.706 9.273 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.542 8.628 11.975 1.00 0.00 H new ATOM 0 HH12 ARG A 11 7.386 9.921 12.833 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.710 12.362 10.380 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.481 12.027 11.934 1.00 0.00 H new ATOM 149 N GLY A 12 1.397 5.375 8.759 1.00 0.00 N ATOM 150 CA GLY A 12 0.344 4.942 9.658 1.00 0.00 C ATOM 151 C GLY A 12 0.174 3.436 9.669 1.00 0.00 C ATOM 152 O GLY A 12 0.829 2.725 8.906 1.00 0.00 O ATOM 0 H GLY A 12 1.965 4.622 8.370 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.568 5.287 10.668 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.596 5.409 9.363 1.00 0.00 H new ATOM 156 N TRP A 13 -0.706 2.947 10.535 1.00 0.00 N ATOM 157 CA TRP A 13 -0.959 1.515 10.643 1.00 0.00 C ATOM 158 C TRP A 13 -2.086 1.089 9.709 1.00 0.00 C ATOM 159 O TRP A 13 -3.256 1.384 9.957 1.00 0.00 O ATOM 160 CB TRP A 13 -1.307 1.144 12.085 1.00 0.00 C ATOM 161 CG TRP A 13 -0.148 1.267 13.027 1.00 0.00 C ATOM 162 CD1 TRP A 13 0.311 2.410 13.618 1.00 0.00 C ATOM 163 CD2 TRP A 13 0.701 0.209 13.484 1.00 0.00 C ATOM 164 NE1 TRP A 13 1.393 2.125 14.415 1.00 0.00 N ATOM 165 CE2 TRP A 13 1.652 0.782 14.350 1.00 0.00 C ATOM 166 CE3 TRP A 13 0.749 -1.168 13.247 1.00 0.00 C ATOM 167 CZ2 TRP A 13 2.639 0.025 14.977 1.00 0.00 C ATOM 168 CZ3 TRP A 13 1.729 -1.917 13.870 1.00 0.00 C ATOM 169 CH2 TRP A 13 2.662 -1.320 14.727 1.00 0.00 C ATOM 0 H TRP A 13 -1.257 3.521 11.173 1.00 0.00 H new ATOM 0 HA TRP A 13 -0.051 0.988 10.350 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.117 1.785 12.432 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -1.678 0.120 12.109 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -0.114 3.393 13.479 1.00 0.00 H new ATOM 0 HE1 TRP A 13 1.918 2.804 14.966 1.00 0.00 H new ATOM 0 HE3 TRP A 13 0.033 -1.638 12.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 3.360 0.483 15.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 1.776 -2.981 13.693 1.00 0.00 H new ATOM 0 HH2 TRP A 13 3.415 -1.933 15.200 1.00 0.00 H new ATOM 180 N LEU A 14 -1.728 0.395 8.634 1.00 0.00 N ATOM 181 CA LEU A 14 -2.711 -0.072 7.662 1.00 0.00 C ATOM 182 C LEU A 14 -2.886 -1.585 7.749 1.00 0.00 C ATOM 183 O LEU A 14 -2.148 -2.267 8.461 1.00 0.00 O ATOM 184 CB LEU A 14 -2.285 0.323 6.247 1.00 0.00 C ATOM 185 CG LEU A 14 -2.545 1.776 5.850 1.00 0.00 C ATOM 186 CD1 LEU A 14 -1.789 2.124 4.577 1.00 0.00 C ATOM 187 CD2 LEU A 14 -4.036 2.022 5.671 1.00 0.00 C ATOM 0 H LEU A 14 -0.764 0.143 8.413 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.666 0.400 7.892 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.219 0.123 6.141 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.802 -0.324 5.539 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.185 2.422 6.651 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.986 3.162 4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.720 1.988 4.740 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.119 1.472 3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.202 3.062 5.389 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.421 1.368 4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.554 1.813 6.607 1.00 0.00 H new ATOM 199 N THR A 15 -3.868 -2.105 7.019 1.00 0.00 N ATOM 200 CA THR A 15 -4.140 -3.537 7.012 1.00 0.00 C ATOM 201 C THR A 15 -4.164 -4.085 5.590 1.00 0.00 C ATOM 202 O THR A 15 -4.922 -3.609 4.744 1.00 0.00 O ATOM 203 CB THR A 15 -5.482 -3.857 7.696 1.00 0.00 C ATOM 204 OG1 THR A 15 -5.440 -3.453 9.070 1.00 0.00 O ATOM 205 CG2 THR A 15 -5.793 -5.343 7.609 1.00 0.00 C ATOM 0 H THR A 15 -4.488 -1.555 6.425 1.00 0.00 H new ATOM 0 HA THR A 15 -3.334 -4.015 7.569 1.00 0.00 H new ATOM 0 HB THR A 15 -6.268 -3.307 7.179 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.298 -3.658 9.498 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.746 -5.545 8.099 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.853 -5.642 6.562 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.004 -5.909 8.103 1.00 0.00 H new ATOM 213 N ILE A 16 -3.331 -5.088 5.333 1.00 0.00 N ATOM 214 CA ILE A 16 -3.259 -5.702 4.013 1.00 0.00 C ATOM 215 C ILE A 16 -4.350 -6.753 3.836 1.00 0.00 C ATOM 216 O ILE A 16 -4.129 -7.938 4.082 1.00 0.00 O ATOM 217 CB ILE A 16 -1.887 -6.356 3.770 1.00 0.00 C ATOM 218 CG1 ILE A 16 -0.774 -5.310 3.866 1.00 0.00 C ATOM 219 CG2 ILE A 16 -1.860 -7.043 2.413 1.00 0.00 C ATOM 220 CD1 ILE A 16 0.615 -5.889 3.712 1.00 0.00 C ATOM 0 H ILE A 16 -2.697 -5.493 6.022 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.405 -4.904 3.285 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.719 -7.109 4.540 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.931 -4.553 3.097 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.843 -4.805 4.829 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.883 -7.501 2.256 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.631 -7.813 2.380 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.047 -6.308 1.630 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.353 -5.091 3.791 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.791 -6.625 4.496 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.703 -6.369 2.737 1.00 0.00 H new ATOM 232 N ASN A 17 -5.527 -6.311 3.405 1.00 0.00 N ATOM 233 CA ASN A 17 -6.652 -7.214 3.193 1.00 0.00 C ATOM 234 C ASN A 17 -6.177 -8.553 2.636 1.00 0.00 C ATOM 235 O ASN A 17 -6.387 -9.600 3.247 1.00 0.00 O ATOM 236 CB ASN A 17 -7.666 -6.582 2.237 1.00 0.00 C ATOM 237 CG ASN A 17 -8.710 -5.757 2.965 1.00 0.00 C ATOM 238 OD1 ASN A 17 -8.523 -5.379 4.122 1.00 0.00 O ATOM 239 ND2 ASN A 17 -9.817 -5.473 2.289 1.00 0.00 N ATOM 0 H ASN A 17 -5.726 -5.333 3.196 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.131 -7.391 4.156 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.141 -5.949 1.521 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.161 -7.367 1.665 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.554 -4.921 2.727 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.930 -5.807 1.332 1.00 0.00 H new ATOM 246 N ASN A 18 -5.536 -8.510 1.473 1.00 0.00 N ATOM 247 CA ASN A 18 -5.031 -9.719 0.833 1.00 0.00 C ATOM 248 C ASN A 18 -3.604 -10.018 1.284 1.00 0.00 C ATOM 249 O ASN A 18 -2.640 -9.631 0.622 1.00 0.00 O ATOM 250 CB ASN A 18 -5.077 -9.574 -0.689 1.00 0.00 C ATOM 251 CG ASN A 18 -4.066 -8.568 -1.205 1.00 0.00 C ATOM 252 OD1 ASN A 18 -3.651 -7.662 -0.482 1.00 0.00 O ATOM 253 ND2 ASN A 18 -3.665 -8.723 -2.461 1.00 0.00 N ATOM 0 H ASN A 18 -5.354 -7.651 0.954 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.669 -10.551 1.131 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.888 -10.544 -1.149 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.078 -9.267 -0.992 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.986 -8.077 -2.863 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.036 -9.489 -3.024 1.00 0.00 H new ATOM 395 N GLU A 28 -1.811 -6.253 9.984 1.00 0.00 N ATOM 396 CA GLU A 28 -1.549 -4.830 10.164 1.00 0.00 C ATOM 397 C GLU A 28 -0.049 -4.549 10.168 1.00 0.00 C ATOM 398 O GLU A 28 0.721 -5.244 10.832 1.00 0.00 O ATOM 399 CB GLU A 28 -2.176 -4.336 11.470 1.00 0.00 C ATOM 400 CG GLU A 28 -1.294 -4.551 12.688 1.00 0.00 C ATOM 401 CD GLU A 28 -2.094 -4.726 13.964 1.00 0.00 C ATOM 402 OE1 GLU A 28 -2.526 -3.705 14.538 1.00 0.00 O ATOM 403 OE2 GLU A 28 -2.288 -5.885 14.388 1.00 0.00 O ATOM 0 HA GLU A 28 -1.998 -4.294 9.328 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.399 -3.273 11.377 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.125 -4.849 11.624 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.672 -5.432 12.530 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.621 -3.701 12.799 1.00 0.00 H new ATOM 410 N TYR A 29 0.357 -3.528 9.423 1.00 0.00 N ATOM 411 CA TYR A 29 1.764 -3.156 9.338 1.00 0.00 C ATOM 412 C TYR A 29 1.930 -1.639 9.365 1.00 0.00 C ATOM 413 O TYR A 29 0.972 -0.896 9.152 1.00 0.00 O ATOM 414 CB TYR A 29 2.387 -3.725 8.062 1.00 0.00 C ATOM 415 CG TYR A 29 2.676 -5.207 8.138 1.00 0.00 C ATOM 416 CD1 TYR A 29 1.678 -6.143 7.890 1.00 0.00 C ATOM 417 CD2 TYR A 29 3.945 -5.673 8.459 1.00 0.00 C ATOM 418 CE1 TYR A 29 1.937 -7.498 7.959 1.00 0.00 C ATOM 419 CE2 TYR A 29 4.213 -7.026 8.529 1.00 0.00 C ATOM 420 CZ TYR A 29 3.205 -7.935 8.278 1.00 0.00 C ATOM 421 OH TYR A 29 3.468 -9.284 8.348 1.00 0.00 O ATOM 0 H TYR A 29 -0.268 -2.943 8.869 1.00 0.00 H new ATOM 0 HA TYR A 29 2.277 -3.575 10.204 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.715 -3.537 7.225 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.315 -3.193 7.852 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.683 -5.805 7.639 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.736 -4.965 8.657 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.150 -8.212 7.764 1.00 0.00 H new ATOM 0 HE2 TYR A 29 5.206 -7.371 8.779 1.00 0.00 H new ATOM 0 HH TYR A 29 4.409 -9.422 8.583 1.00 0.00 H new ATOM 431 N TRP A 30 3.151 -1.189 9.629 1.00 0.00 N ATOM 432 CA TRP A 30 3.444 0.238 9.684 1.00 0.00 C ATOM 433 C TRP A 30 3.975 0.737 8.345 1.00 0.00 C ATOM 434 O TRP A 30 5.167 0.626 8.059 1.00 0.00 O ATOM 435 CB TRP A 30 4.459 0.529 10.790 1.00 0.00 C ATOM 436 CG TRP A 30 4.898 1.962 10.832 1.00 0.00 C ATOM 437 CD1 TRP A 30 6.053 2.481 10.322 1.00 0.00 C ATOM 438 CD2 TRP A 30 4.188 3.059 11.418 1.00 0.00 C ATOM 439 NE1 TRP A 30 6.104 3.834 10.555 1.00 0.00 N ATOM 440 CE2 TRP A 30 4.971 4.213 11.225 1.00 0.00 C ATOM 441 CE3 TRP A 30 2.965 3.178 12.085 1.00 0.00 C ATOM 442 CZ2 TRP A 30 4.571 5.468 11.677 1.00 0.00 C ATOM 443 CZ3 TRP A 30 2.570 4.424 12.532 1.00 0.00 C ATOM 444 CH2 TRP A 30 3.370 5.556 12.326 1.00 0.00 C ATOM 0 H TRP A 30 3.954 -1.792 9.808 1.00 0.00 H new ATOM 0 HA TRP A 30 2.516 0.766 9.905 1.00 0.00 H new ATOM 0 HB2 TRP A 30 4.023 0.262 11.753 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.333 -0.107 10.648 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.815 1.912 9.810 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.863 4.456 10.275 1.00 0.00 H new ATOM 0 HE3 TRP A 30 2.341 2.312 12.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 5.187 6.341 11.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.628 4.528 13.050 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.032 6.516 12.687 1.00 0.00 H new ATOM 455 N PHE A 31 3.083 1.288 7.528 1.00 0.00 N ATOM 456 CA PHE A 31 3.463 1.803 6.218 1.00 0.00 C ATOM 457 C PHE A 31 4.017 3.221 6.331 1.00 0.00 C ATOM 458 O PHE A 31 3.448 4.069 7.017 1.00 0.00 O ATOM 459 CB PHE A 31 2.261 1.788 5.272 1.00 0.00 C ATOM 460 CG PHE A 31 1.928 0.420 4.748 1.00 0.00 C ATOM 461 CD1 PHE A 31 1.125 -0.440 5.480 1.00 0.00 C ATOM 462 CD2 PHE A 31 2.418 -0.006 3.524 1.00 0.00 C ATOM 463 CE1 PHE A 31 0.818 -1.700 5.001 1.00 0.00 C ATOM 464 CE2 PHE A 31 2.114 -1.264 3.039 1.00 0.00 C ATOM 465 CZ PHE A 31 1.312 -2.112 3.778 1.00 0.00 C ATOM 0 H PHE A 31 2.093 1.389 7.750 1.00 0.00 H new ATOM 0 HA PHE A 31 4.243 1.157 5.814 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.393 2.190 5.794 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.462 2.452 4.431 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.735 -0.122 6.436 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.045 0.653 2.942 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.193 -2.362 5.582 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.503 -1.584 2.084 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.072 -3.095 3.401 1.00 0.00 H new ATOM 475 N VAL A 32 5.133 3.469 5.652 1.00 0.00 N ATOM 476 CA VAL A 32 5.765 4.783 5.675 1.00 0.00 C ATOM 477 C VAL A 32 6.100 5.256 4.265 1.00 0.00 C ATOM 478 O VAL A 32 7.140 4.900 3.709 1.00 0.00 O ATOM 479 CB VAL A 32 7.052 4.772 6.521 1.00 0.00 C ATOM 480 CG1 VAL A 32 7.833 6.063 6.322 1.00 0.00 C ATOM 481 CG2 VAL A 32 6.721 4.561 7.990 1.00 0.00 C ATOM 0 H VAL A 32 5.618 2.778 5.080 1.00 0.00 H new ATOM 0 HA VAL A 32 5.049 5.471 6.125 1.00 0.00 H new ATOM 0 HB VAL A 32 7.677 3.943 6.190 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.739 6.037 6.928 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.102 6.167 5.271 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.218 6.911 6.625 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.642 4.556 8.573 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.076 5.368 8.337 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.208 3.607 8.114 1.00 0.00 H new ATOM 491 N LEU A 33 5.214 6.061 3.690 1.00 0.00 N ATOM 492 CA LEU A 33 5.416 6.585 2.344 1.00 0.00 C ATOM 493 C LEU A 33 6.350 7.791 2.362 1.00 0.00 C ATOM 494 O LEU A 33 6.017 8.840 2.915 1.00 0.00 O ATOM 495 CB LEU A 33 4.074 6.974 1.720 1.00 0.00 C ATOM 496 CG LEU A 33 4.146 7.782 0.423 1.00 0.00 C ATOM 497 CD1 LEU A 33 4.189 6.854 -0.781 1.00 0.00 C ATOM 498 CD2 LEU A 33 2.964 8.735 0.323 1.00 0.00 C ATOM 0 H LEU A 33 4.348 6.365 4.135 1.00 0.00 H new ATOM 0 HA LEU A 33 5.877 5.802 1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.508 6.063 1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.509 7.550 2.453 1.00 0.00 H new ATOM 0 HG LEU A 33 5.062 8.372 0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.240 7.446 -1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.068 6.212 -0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.290 6.238 -0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.031 9.302 -0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.035 8.165 0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.978 9.422 1.169 1.00 0.00 H new ATOM 510 N THR A 34 7.521 7.635 1.753 1.00 0.00 N ATOM 511 CA THR A 34 8.503 8.711 1.698 1.00 0.00 C ATOM 512 C THR A 34 8.816 9.097 0.257 1.00 0.00 C ATOM 513 O THR A 34 8.684 8.283 -0.656 1.00 0.00 O ATOM 514 CB THR A 34 9.811 8.313 2.408 1.00 0.00 C ATOM 515 OG1 THR A 34 10.370 7.149 1.788 1.00 0.00 O ATOM 516 CG2 THR A 34 9.565 8.040 3.884 1.00 0.00 C ATOM 0 H THR A 34 7.813 6.774 1.291 1.00 0.00 H new ATOM 0 HA THR A 34 8.065 9.566 2.212 1.00 0.00 H new ATOM 0 HB THR A 34 10.513 9.143 2.321 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.682 6.455 1.715 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.503 7.761 4.364 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.168 8.937 4.359 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.848 7.226 3.989 1.00 0.00 H new ATOM 524 N ALA A 35 9.233 10.343 0.061 1.00 0.00 N ATOM 525 CA ALA A 35 9.568 10.836 -1.270 1.00 0.00 C ATOM 526 C ALA A 35 10.422 9.827 -2.030 1.00 0.00 C ATOM 527 O ALA A 35 10.387 9.772 -3.258 1.00 0.00 O ATOM 528 CB ALA A 35 10.289 12.172 -1.171 1.00 0.00 C ATOM 0 H ALA A 35 9.347 11.030 0.806 1.00 0.00 H new ATOM 0 HA ALA A 35 8.639 10.976 -1.823 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.533 12.529 -2.172 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.644 12.897 -0.675 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.207 12.048 -0.596 1.00 0.00 H new ATOM 534 N GLU A 36 11.188 9.030 -1.291 1.00 0.00 N ATOM 535 CA GLU A 36 12.052 8.024 -1.897 1.00 0.00 C ATOM 536 C GLU A 36 11.248 6.795 -2.312 1.00 0.00 C ATOM 537 O GLU A 36 11.168 6.463 -3.494 1.00 0.00 O ATOM 538 CB GLU A 36 13.160 7.617 -0.923 1.00 0.00 C ATOM 539 CG GLU A 36 14.073 8.765 -0.525 1.00 0.00 C ATOM 540 CD GLU A 36 14.976 8.415 0.641 1.00 0.00 C ATOM 541 OE1 GLU A 36 14.494 8.439 1.792 1.00 0.00 O ATOM 542 OE2 GLU A 36 16.165 8.117 0.402 1.00 0.00 O ATOM 0 H GLU A 36 11.228 9.062 -0.272 1.00 0.00 H new ATOM 0 HA GLU A 36 12.504 8.460 -2.788 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.707 7.197 -0.025 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.759 6.828 -1.377 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.685 9.051 -1.380 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.467 9.632 -0.263 1.00 0.00 H new ATOM 549 N SER A 37 10.654 6.125 -1.330 1.00 0.00 N ATOM 550 CA SER A 37 9.859 4.931 -1.591 1.00 0.00 C ATOM 551 C SER A 37 8.886 4.664 -0.446 1.00 0.00 C ATOM 552 O SER A 37 8.876 5.380 0.555 1.00 0.00 O ATOM 553 CB SER A 37 10.772 3.719 -1.792 1.00 0.00 C ATOM 554 OG SER A 37 11.915 4.064 -2.555 1.00 0.00 O ATOM 0 H SER A 37 10.708 6.389 -0.346 1.00 0.00 H new ATOM 0 HA SER A 37 9.284 5.100 -2.501 1.00 0.00 H new ATOM 0 HB2 SER A 37 11.082 3.328 -0.823 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.221 2.924 -2.295 1.00 0.00 H new ATOM 0 HG SER A 37 11.666 4.719 -3.240 1.00 0.00 H new ATOM 560 N LEU A 38 8.069 3.628 -0.602 1.00 0.00 N ATOM 561 CA LEU A 38 7.091 3.265 0.417 1.00 0.00 C ATOM 562 C LEU A 38 7.419 1.906 1.027 1.00 0.00 C ATOM 563 O LEU A 38 7.301 0.873 0.366 1.00 0.00 O ATOM 564 CB LEU A 38 5.684 3.241 -0.183 1.00 0.00 C ATOM 565 CG LEU A 38 4.619 2.507 0.633 1.00 0.00 C ATOM 566 CD1 LEU A 38 4.010 3.434 1.673 1.00 0.00 C ATOM 567 CD2 LEU A 38 3.540 1.946 -0.282 1.00 0.00 C ATOM 0 H LEU A 38 8.065 3.025 -1.424 1.00 0.00 H new ATOM 0 HA LEU A 38 7.130 4.016 1.206 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.356 4.270 -0.330 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.739 2.780 -1.169 1.00 0.00 H new ATOM 0 HG LEU A 38 5.095 1.676 1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.254 2.894 2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.790 3.787 2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.548 4.286 1.175 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.790 1.427 0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.067 2.761 -0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.989 1.247 -0.988 1.00 0.00 H new ATOM 579 N SER A 39 7.829 1.913 2.291 1.00 0.00 N ATOM 580 CA SER A 39 8.176 0.681 2.990 1.00 0.00 C ATOM 581 C SER A 39 7.280 0.476 4.208 1.00 0.00 C ATOM 582 O SER A 39 6.829 1.439 4.828 1.00 0.00 O ATOM 583 CB SER A 39 9.643 0.709 3.421 1.00 0.00 C ATOM 584 OG SER A 39 10.505 0.738 2.296 1.00 0.00 O ATOM 0 H SER A 39 7.929 2.759 2.853 1.00 0.00 H new ATOM 0 HA SER A 39 8.023 -0.152 2.304 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.825 1.584 4.045 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.863 -0.168 4.029 1.00 0.00 H new ATOM 0 HG SER A 39 11.385 1.072 2.567 1.00 0.00 H new ATOM 590 N TRP A 40 7.028 -0.783 4.543 1.00 0.00 N ATOM 591 CA TRP A 40 6.186 -1.115 5.687 1.00 0.00 C ATOM 592 C TRP A 40 6.965 -1.918 6.722 1.00 0.00 C ATOM 593 O TRP A 40 7.501 -2.985 6.420 1.00 0.00 O ATOM 594 CB TRP A 40 4.958 -1.905 5.230 1.00 0.00 C ATOM 595 CG TRP A 40 5.285 -3.014 4.277 1.00 0.00 C ATOM 596 CD1 TRP A 40 5.491 -4.328 4.587 1.00 0.00 C ATOM 597 CD2 TRP A 40 5.447 -2.905 2.858 1.00 0.00 C ATOM 598 NE1 TRP A 40 5.771 -5.042 3.447 1.00 0.00 N ATOM 599 CE2 TRP A 40 5.749 -4.192 2.373 1.00 0.00 C ATOM 600 CE3 TRP A 40 5.364 -1.845 1.951 1.00 0.00 C ATOM 601 CZ2 TRP A 40 5.969 -4.445 1.022 1.00 0.00 C ATOM 602 CZ3 TRP A 40 5.583 -2.098 0.610 1.00 0.00 C ATOM 603 CH2 TRP A 40 5.881 -3.390 0.156 1.00 0.00 C ATOM 0 H TRP A 40 7.394 -1.591 4.040 1.00 0.00 H new ATOM 0 HA TRP A 40 5.860 -0.183 6.148 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.458 -2.322 6.104 1.00 0.00 H new ATOM 0 HB3 TRP A 40 4.253 -1.223 4.754 1.00 0.00 H new ATOM 0 HD1 TRP A 40 5.441 -4.745 5.582 1.00 0.00 H new ATOM 0 HE1 TRP A 40 5.964 -6.043 3.407 1.00 0.00 H new ATOM 0 HE3 TRP A 40 5.133 -0.847 2.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.201 -5.439 0.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.523 -1.286 -0.100 1.00 0.00 H new ATOM 0 HH2 TRP A 40 6.044 -3.556 -0.899 1.00 0.00 H new ATOM 614 N TYR A 41 7.025 -1.400 7.944 1.00 0.00 N ATOM 615 CA TYR A 41 7.742 -2.068 9.023 1.00 0.00 C ATOM 616 C TYR A 41 6.769 -2.664 10.036 1.00 0.00 C ATOM 617 O TYR A 41 5.583 -2.336 10.043 1.00 0.00 O ATOM 618 CB TYR A 41 8.686 -1.087 9.721 1.00 0.00 C ATOM 619 CG TYR A 41 9.486 -0.232 8.765 1.00 0.00 C ATOM 620 CD1 TYR A 41 8.897 0.833 8.096 1.00 0.00 C ATOM 621 CD2 TYR A 41 10.831 -0.491 8.530 1.00 0.00 C ATOM 622 CE1 TYR A 41 9.624 1.617 7.220 1.00 0.00 C ATOM 623 CE2 TYR A 41 11.566 0.288 7.657 1.00 0.00 C ATOM 624 CZ TYR A 41 10.958 1.341 7.005 1.00 0.00 C ATOM 625 OH TYR A 41 11.687 2.118 6.134 1.00 0.00 O ATOM 0 H TYR A 41 6.585 -0.519 8.212 1.00 0.00 H new ATOM 0 HA TYR A 41 8.328 -2.878 8.589 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.103 -0.438 10.375 1.00 0.00 H new ATOM 0 HB3 TYR A 41 9.373 -1.646 10.356 1.00 0.00 H new ATOM 0 HD1 TYR A 41 7.853 1.052 8.263 1.00 0.00 H new ATOM 0 HD2 TYR A 41 11.310 -1.315 9.038 1.00 0.00 H new ATOM 0 HE1 TYR A 41 9.150 2.441 6.707 1.00 0.00 H new ATOM 0 HE2 TYR A 41 12.611 0.074 7.486 1.00 0.00 H new ATOM 0 HH TYR A 41 12.643 1.953 6.270 1.00 0.00 H new ATOM 635 N LYS A 42 7.281 -3.541 10.893 1.00 0.00 N ATOM 636 CA LYS A 42 6.461 -4.183 11.913 1.00 0.00 C ATOM 637 C LYS A 42 5.756 -3.143 12.778 1.00 0.00 C ATOM 638 O LYS A 42 4.594 -3.314 13.149 1.00 0.00 O ATOM 639 CB LYS A 42 7.322 -5.093 12.792 1.00 0.00 C ATOM 640 CG LYS A 42 7.422 -6.519 12.277 1.00 0.00 C ATOM 641 CD LYS A 42 6.219 -7.348 12.693 1.00 0.00 C ATOM 642 CE LYS A 42 6.405 -8.816 12.341 1.00 0.00 C ATOM 643 NZ LYS A 42 5.165 -9.605 12.581 1.00 0.00 N ATOM 0 H LYS A 42 8.261 -3.823 10.901 1.00 0.00 H new ATOM 0 HA LYS A 42 5.705 -4.785 11.409 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.324 -4.671 12.865 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.908 -5.108 13.800 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.500 -6.509 11.190 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.333 -6.981 12.658 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.060 -7.248 13.767 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.325 -6.965 12.201 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.695 -8.905 11.294 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.220 -9.231 12.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.332 -10.600 12.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.902 -9.542 13.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.393 -9.225 11.996 1.00 0.00 H new ATOM 657 N ASP A 43 6.465 -2.065 13.095 1.00 0.00 N ATOM 658 CA ASP A 43 5.906 -0.996 13.914 1.00 0.00 C ATOM 659 C ASP A 43 6.345 0.370 13.398 1.00 0.00 C ATOM 660 O ASP A 43 7.006 0.470 12.365 1.00 0.00 O ATOM 661 CB ASP A 43 6.333 -1.166 15.373 1.00 0.00 C ATOM 662 CG ASP A 43 7.733 -1.734 15.503 1.00 0.00 C ATOM 663 OD1 ASP A 43 8.643 -1.239 14.806 1.00 0.00 O ATOM 664 OD2 ASP A 43 7.918 -2.675 16.304 1.00 0.00 O ATOM 0 H ASP A 43 7.428 -1.908 12.797 1.00 0.00 H new ATOM 0 HA ASP A 43 4.819 -1.055 13.853 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.287 -0.201 15.877 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.628 -1.824 15.881 1.00 0.00 H new ATOM 669 N GLU A 44 5.971 1.420 14.123 1.00 0.00 N ATOM 670 CA GLU A 44 6.325 2.780 13.736 1.00 0.00 C ATOM 671 C GLU A 44 7.718 3.144 14.241 1.00 0.00 C ATOM 672 O GLU A 44 8.005 4.309 14.514 1.00 0.00 O ATOM 673 CB GLU A 44 5.297 3.773 14.282 1.00 0.00 C ATOM 674 CG GLU A 44 5.332 3.916 15.795 1.00 0.00 C ATOM 675 CD GLU A 44 4.758 5.236 16.270 1.00 0.00 C ATOM 676 OE1 GLU A 44 5.112 6.281 15.684 1.00 0.00 O ATOM 677 OE2 GLU A 44 3.957 5.226 17.228 1.00 0.00 O ATOM 0 H GLU A 44 5.423 1.354 14.981 1.00 0.00 H new ATOM 0 HA GLU A 44 6.327 2.832 12.647 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.471 4.749 13.829 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.300 3.454 13.979 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.772 3.097 16.247 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.362 3.827 16.141 1.00 0.00 H new ATOM 684 N GLU A 45 8.579 2.139 14.361 1.00 0.00 N ATOM 685 CA GLU A 45 9.941 2.353 14.834 1.00 0.00 C ATOM 686 C GLU A 45 10.940 2.238 13.686 1.00 0.00 C ATOM 687 O GLU A 45 12.056 2.750 13.768 1.00 0.00 O ATOM 688 CB GLU A 45 10.289 1.343 15.930 1.00 0.00 C ATOM 689 CG GLU A 45 9.318 1.355 17.099 1.00 0.00 C ATOM 690 CD GLU A 45 9.913 0.753 18.358 1.00 0.00 C ATOM 691 OE1 GLU A 45 9.925 -0.490 18.473 1.00 0.00 O ATOM 692 OE2 GLU A 45 10.367 1.527 19.227 1.00 0.00 O ATOM 0 H GLU A 45 8.358 1.169 14.137 1.00 0.00 H new ATOM 0 HA GLU A 45 10.001 3.360 15.246 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.311 0.343 15.497 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.293 1.552 16.300 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.011 2.381 17.301 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.419 0.802 16.826 1.00 0.00 H new ATOM 699 N GLU A 46 10.530 1.562 12.618 1.00 0.00 N ATOM 700 CA GLU A 46 11.389 1.379 11.454 1.00 0.00 C ATOM 701 C GLU A 46 12.696 0.695 11.845 1.00 0.00 C ATOM 702 O GLU A 46 13.782 1.155 11.491 1.00 0.00 O ATOM 703 CB GLU A 46 11.684 2.727 10.793 1.00 0.00 C ATOM 704 CG GLU A 46 10.439 3.460 10.324 1.00 0.00 C ATOM 705 CD GLU A 46 10.761 4.759 9.611 1.00 0.00 C ATOM 706 OE1 GLU A 46 11.044 5.760 10.303 1.00 0.00 O ATOM 707 OE2 GLU A 46 10.729 4.776 8.363 1.00 0.00 O ATOM 0 H GLU A 46 9.609 1.132 12.534 1.00 0.00 H new ATOM 0 HA GLU A 46 10.863 0.741 10.743 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.223 3.358 11.500 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.344 2.567 9.941 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.872 2.813 9.655 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.800 3.669 11.182 1.00 0.00 H new ATOM 714 N LYS A 47 12.583 -0.407 12.579 1.00 0.00 N ATOM 715 CA LYS A 47 13.754 -1.157 13.019 1.00 0.00 C ATOM 716 C LYS A 47 14.101 -2.258 12.022 1.00 0.00 C ATOM 717 O LYS A 47 15.137 -2.204 11.360 1.00 0.00 O ATOM 718 CB LYS A 47 13.506 -1.766 14.401 1.00 0.00 C ATOM 719 CG LYS A 47 13.258 -0.731 15.485 1.00 0.00 C ATOM 720 CD LYS A 47 14.515 0.064 15.795 1.00 0.00 C ATOM 721 CE LYS A 47 14.210 1.271 16.669 1.00 0.00 C ATOM 722 NZ LYS A 47 14.112 0.903 18.108 1.00 0.00 N ATOM 0 H LYS A 47 11.692 -0.801 12.882 1.00 0.00 H new ATOM 0 HA LYS A 47 14.595 -0.466 13.079 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.647 -2.435 14.345 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.366 -2.374 14.681 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.466 -0.052 15.167 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.908 -1.227 16.390 1.00 0.00 H new ATOM 0 HD2 LYS A 47 15.238 -0.578 16.299 1.00 0.00 H new ATOM 0 HD3 LYS A 47 14.976 0.395 14.864 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.990 2.021 16.538 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.274 1.726 16.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.903 1.753 18.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.350 0.207 18.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 15.014 0.492 18.423 1.00 0.00 H new ATOM 736 N GLU A 48 13.227 -3.255 11.920 1.00 0.00 N ATOM 737 CA GLU A 48 13.443 -4.367 11.002 1.00 0.00 C ATOM 738 C GLU A 48 12.546 -4.241 9.774 1.00 0.00 C ATOM 739 O GLU A 48 11.412 -4.719 9.767 1.00 0.00 O ATOM 740 CB GLU A 48 13.176 -5.698 11.708 1.00 0.00 C ATOM 741 CG GLU A 48 14.330 -6.169 12.577 1.00 0.00 C ATOM 742 CD GLU A 48 14.057 -7.508 13.235 1.00 0.00 C ATOM 743 OE1 GLU A 48 13.503 -8.400 12.559 1.00 0.00 O ATOM 744 OE2 GLU A 48 14.397 -7.663 14.426 1.00 0.00 O ATOM 0 H GLU A 48 12.364 -3.315 12.461 1.00 0.00 H new ATOM 0 HA GLU A 48 14.482 -4.339 10.675 1.00 0.00 H new ATOM 0 HB2 GLU A 48 12.284 -5.599 12.326 1.00 0.00 H new ATOM 0 HB3 GLU A 48 12.962 -6.460 10.959 1.00 0.00 H new ATOM 0 HG2 GLU A 48 15.231 -6.245 11.968 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.528 -5.424 13.347 1.00 0.00 H new ATOM 751 N LYS A 49 13.063 -3.594 8.735 1.00 0.00 N ATOM 752 CA LYS A 49 12.312 -3.404 7.500 1.00 0.00 C ATOM 753 C LYS A 49 11.962 -4.746 6.865 1.00 0.00 C ATOM 754 O LYS A 49 12.829 -5.598 6.672 1.00 0.00 O ATOM 755 CB LYS A 49 13.118 -2.555 6.514 1.00 0.00 C ATOM 756 CG LYS A 49 12.321 -2.115 5.298 1.00 0.00 C ATOM 757 CD LYS A 49 12.868 -0.825 4.710 1.00 0.00 C ATOM 758 CE LYS A 49 14.292 -1.003 4.206 1.00 0.00 C ATOM 759 NZ LYS A 49 15.296 -0.723 5.269 1.00 0.00 N ATOM 0 H LYS A 49 14.000 -3.192 8.724 1.00 0.00 H new ATOM 0 HA LYS A 49 11.385 -2.884 7.743 1.00 0.00 H new ATOM 0 HB2 LYS A 49 13.494 -1.672 7.031 1.00 0.00 H new ATOM 0 HB3 LYS A 49 13.986 -3.124 6.182 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.346 -2.900 4.542 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.277 -1.975 5.577 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.229 -0.498 3.890 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.844 -0.040 5.466 1.00 0.00 H new ATOM 0 HE2 LYS A 49 14.423 -2.022 3.842 1.00 0.00 H new ATOM 0 HE3 LYS A 49 14.464 -0.337 3.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 16.162 -0.342 4.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.908 -0.028 5.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 15.520 -1.603 5.775 1.00 0.00 H new ATOM 773 N LYS A 50 10.687 -4.927 6.540 1.00 0.00 N ATOM 774 CA LYS A 50 10.222 -6.164 5.923 1.00 0.00 C ATOM 775 C LYS A 50 10.510 -6.167 4.425 1.00 0.00 C ATOM 776 O LYS A 50 11.086 -7.118 3.896 1.00 0.00 O ATOM 777 CB LYS A 50 8.721 -6.345 6.164 1.00 0.00 C ATOM 778 CG LYS A 50 8.263 -5.866 7.531 1.00 0.00 C ATOM 779 CD LYS A 50 9.045 -6.535 8.648 1.00 0.00 C ATOM 780 CE LYS A 50 8.377 -7.825 9.100 1.00 0.00 C ATOM 781 NZ LYS A 50 8.826 -8.994 8.293 1.00 0.00 N ATOM 0 H LYS A 50 9.956 -4.232 6.694 1.00 0.00 H new ATOM 0 HA LYS A 50 10.761 -6.994 6.381 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.170 -5.803 5.395 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.468 -7.400 6.054 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.384 -4.785 7.598 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.200 -6.076 7.654 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.058 -6.749 8.307 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.130 -5.852 9.493 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.602 -8.002 10.152 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.295 -7.722 9.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.998 -9.475 7.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.447 -8.668 7.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.347 -9.657 8.902 1.00 0.00 H new ATOM 795 N TYR A 51 10.108 -5.097 3.748 1.00 0.00 N ATOM 796 CA TYR A 51 10.323 -4.977 2.310 1.00 0.00 C ATOM 797 C TYR A 51 10.081 -3.546 1.841 1.00 0.00 C ATOM 798 O TYR A 51 9.114 -2.903 2.248 1.00 0.00 O ATOM 799 CB TYR A 51 9.402 -5.936 1.554 1.00 0.00 C ATOM 800 CG TYR A 51 9.725 -6.051 0.082 1.00 0.00 C ATOM 801 CD1 TYR A 51 9.495 -4.989 -0.784 1.00 0.00 C ATOM 802 CD2 TYR A 51 10.258 -7.221 -0.444 1.00 0.00 C ATOM 803 CE1 TYR A 51 9.788 -5.089 -2.131 1.00 0.00 C ATOM 804 CE2 TYR A 51 10.555 -7.329 -1.789 1.00 0.00 C ATOM 805 CZ TYR A 51 10.318 -6.261 -2.628 1.00 0.00 C ATOM 806 OH TYR A 51 10.611 -6.366 -3.968 1.00 0.00 O ATOM 0 H TYR A 51 9.632 -4.301 4.171 1.00 0.00 H new ATOM 0 HA TYR A 51 11.360 -5.238 2.100 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.467 -6.924 2.010 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.371 -5.600 1.666 1.00 0.00 H new ATOM 0 HD1 TYR A 51 9.080 -4.070 -0.398 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.443 -8.061 0.210 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.603 -4.254 -2.791 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.971 -8.245 -2.181 1.00 0.00 H new ATOM 0 HH TYR A 51 10.978 -7.255 -4.154 1.00 0.00 H new ATOM 816 N MET A 52 10.967 -3.055 0.981 1.00 0.00 N ATOM 817 CA MET A 52 10.849 -1.700 0.453 1.00 0.00 C ATOM 818 C MET A 52 10.330 -1.718 -0.981 1.00 0.00 C ATOM 819 O MET A 52 10.772 -2.524 -1.802 1.00 0.00 O ATOM 820 CB MET A 52 12.203 -0.989 0.509 1.00 0.00 C ATOM 821 CG MET A 52 12.211 0.358 -0.195 1.00 0.00 C ATOM 822 SD MET A 52 13.877 0.929 -0.581 1.00 0.00 S ATOM 823 CE MET A 52 13.917 0.680 -2.355 1.00 0.00 C ATOM 0 H MET A 52 11.774 -3.574 0.635 1.00 0.00 H new ATOM 0 HA MET A 52 10.135 -1.157 1.072 1.00 0.00 H new ATOM 0 HB2 MET A 52 12.487 -0.847 1.552 1.00 0.00 H new ATOM 0 HB3 MET A 52 12.960 -1.630 0.058 1.00 0.00 H new ATOM 0 HG2 MET A 52 11.633 0.286 -1.116 1.00 0.00 H new ATOM 0 HG3 MET A 52 11.715 1.096 0.435 1.00 0.00 H new ATOM 0 HE1 MET A 52 14.888 0.988 -2.744 1.00 0.00 H new ATOM 0 HE2 MET A 52 13.755 -0.375 -2.578 1.00 0.00 H new ATOM 0 HE3 MET A 52 13.133 1.275 -2.824 1.00 0.00 H new ATOM 833 N LEU A 53 9.392 -0.826 -1.277 1.00 0.00 N ATOM 834 CA LEU A 53 8.812 -0.740 -2.613 1.00 0.00 C ATOM 835 C LEU A 53 8.823 0.699 -3.120 1.00 0.00 C ATOM 836 O LEU A 53 8.415 1.630 -2.426 1.00 0.00 O ATOM 837 CB LEU A 53 7.381 -1.279 -2.605 1.00 0.00 C ATOM 838 CG LEU A 53 6.896 -1.915 -3.909 1.00 0.00 C ATOM 839 CD1 LEU A 53 7.642 -3.212 -4.180 1.00 0.00 C ATOM 840 CD2 LEU A 53 5.395 -2.162 -3.856 1.00 0.00 C ATOM 0 H LEU A 53 9.016 -0.152 -0.610 1.00 0.00 H new ATOM 0 HA LEU A 53 9.418 -1.347 -3.285 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.297 -2.020 -1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.707 -0.461 -2.351 1.00 0.00 H new ATOM 0 HG LEU A 53 7.102 -1.224 -4.726 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.284 -3.650 -5.112 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.709 -3.007 -4.262 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.468 -3.910 -3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.067 -2.615 -4.792 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.166 -2.833 -3.028 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.875 -1.215 -3.710 1.00 0.00 H new ATOM 852 N PRO A 54 9.299 0.886 -4.360 1.00 0.00 N ATOM 853 CA PRO A 54 9.372 2.209 -4.988 1.00 0.00 C ATOM 854 C PRO A 54 7.994 2.766 -5.327 1.00 0.00 C ATOM 855 O PRO A 54 6.973 2.125 -5.071 1.00 0.00 O ATOM 856 CB PRO A 54 10.174 1.950 -6.266 1.00 0.00 C ATOM 857 CG PRO A 54 9.944 0.510 -6.573 1.00 0.00 C ATOM 858 CD PRO A 54 9.802 -0.179 -5.244 1.00 0.00 C ATOM 0 HA PRO A 54 9.823 2.950 -4.328 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.835 2.588 -7.082 1.00 0.00 H new ATOM 0 HB3 PRO A 54 11.233 2.159 -6.118 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.047 0.378 -7.179 1.00 0.00 H new ATOM 0 HG3 PRO A 54 10.776 0.094 -7.141 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.108 -1.018 -5.298 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.755 -0.576 -4.893 1.00 0.00 H new ATOM 866 N LEU A 55 7.970 3.962 -5.904 1.00 0.00 N ATOM 867 CA LEU A 55 6.716 4.606 -6.279 1.00 0.00 C ATOM 868 C LEU A 55 6.749 5.055 -7.737 1.00 0.00 C ATOM 869 O LEU A 55 6.013 5.958 -8.135 1.00 0.00 O ATOM 870 CB LEU A 55 6.444 5.806 -5.370 1.00 0.00 C ATOM 871 CG LEU A 55 6.842 5.640 -3.903 1.00 0.00 C ATOM 872 CD1 LEU A 55 6.899 6.992 -3.209 1.00 0.00 C ATOM 873 CD2 LEU A 55 5.869 4.713 -3.189 1.00 0.00 C ATOM 0 H LEU A 55 8.805 4.506 -6.123 1.00 0.00 H new ATOM 0 HA LEU A 55 5.913 3.879 -6.160 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.973 6.670 -5.774 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.379 6.035 -5.413 1.00 0.00 H new ATOM 0 HG LEU A 55 7.835 5.193 -3.864 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.184 6.854 -2.166 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.635 7.625 -3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.919 7.468 -3.258 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.167 4.606 -2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.864 5.133 -3.238 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.878 3.735 -3.671 1.00 0.00 H new ATOM 885 N ASP A 56 7.605 4.418 -8.527 1.00 0.00 N ATOM 886 CA ASP A 56 7.732 4.749 -9.942 1.00 0.00 C ATOM 887 C ASP A 56 7.154 3.639 -10.814 1.00 0.00 C ATOM 888 O ASP A 56 6.694 3.887 -11.927 1.00 0.00 O ATOM 889 CB ASP A 56 9.199 4.986 -10.302 1.00 0.00 C ATOM 890 CG ASP A 56 9.359 5.836 -11.547 1.00 0.00 C ATOM 891 OD1 ASP A 56 8.901 6.998 -11.535 1.00 0.00 O ATOM 892 OD2 ASP A 56 9.942 5.340 -12.535 1.00 0.00 O ATOM 0 H ASP A 56 8.222 3.669 -8.212 1.00 0.00 H new ATOM 0 HA ASP A 56 7.168 5.663 -10.128 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.701 5.473 -9.466 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.692 4.026 -10.455 1.00 0.00 H new ATOM 897 N ASN A 57 7.183 2.413 -10.299 1.00 0.00 N ATOM 898 CA ASN A 57 6.663 1.264 -11.032 1.00 0.00 C ATOM 899 C ASN A 57 5.355 0.774 -10.418 1.00 0.00 C ATOM 900 O ASN A 57 4.958 -0.375 -10.611 1.00 0.00 O ATOM 901 CB ASN A 57 7.691 0.131 -11.040 1.00 0.00 C ATOM 902 CG ASN A 57 8.731 0.302 -12.131 1.00 0.00 C ATOM 903 OD1 ASN A 57 8.410 0.692 -13.254 1.00 0.00 O ATOM 904 ND2 ASN A 57 9.984 0.009 -11.805 1.00 0.00 N ATOM 0 H ASN A 57 7.561 2.190 -9.378 1.00 0.00 H new ATOM 0 HA ASN A 57 6.468 1.576 -12.058 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.188 0.088 -10.071 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.178 -0.821 -11.177 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.727 0.104 -12.498 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.204 -0.311 -10.862 1.00 0.00 H new ATOM 911 N LEU A 58 4.689 1.654 -9.678 1.00 0.00 N ATOM 912 CA LEU A 58 3.425 1.312 -9.036 1.00 0.00 C ATOM 913 C LEU A 58 2.275 2.117 -9.635 1.00 0.00 C ATOM 914 O LEU A 58 2.486 2.991 -10.475 1.00 0.00 O ATOM 915 CB LEU A 58 3.510 1.566 -7.530 1.00 0.00 C ATOM 916 CG LEU A 58 4.538 0.731 -6.766 1.00 0.00 C ATOM 917 CD1 LEU A 58 4.256 0.773 -5.272 1.00 0.00 C ATOM 918 CD2 LEU A 58 4.540 -0.705 -7.270 1.00 0.00 C ATOM 0 H LEU A 58 5.003 2.609 -9.508 1.00 0.00 H new ATOM 0 HA LEU A 58 3.232 0.253 -9.209 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.738 2.620 -7.372 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.527 1.383 -7.095 1.00 0.00 H new ATOM 0 HG LEU A 58 5.526 1.158 -6.941 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.998 0.173 -4.745 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.307 1.804 -4.921 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.261 0.372 -5.078 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.278 -1.284 -6.715 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.552 -1.142 -7.126 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.792 -0.718 -8.330 1.00 0.00 H new ATOM 930 N LYS A 59 1.058 1.817 -9.194 1.00 0.00 N ATOM 931 CA LYS A 59 -0.126 2.514 -9.682 1.00 0.00 C ATOM 932 C LYS A 59 -1.337 2.209 -8.807 1.00 0.00 C ATOM 933 O LYS A 59 -1.446 1.122 -8.239 1.00 0.00 O ATOM 934 CB LYS A 59 -0.417 2.115 -11.131 1.00 0.00 C ATOM 935 CG LYS A 59 -1.216 3.153 -11.899 1.00 0.00 C ATOM 936 CD LYS A 59 -0.307 4.154 -12.594 1.00 0.00 C ATOM 937 CE LYS A 59 -1.055 4.938 -13.661 1.00 0.00 C ATOM 938 NZ LYS A 59 -2.086 5.835 -13.070 1.00 0.00 N ATOM 0 H LYS A 59 0.866 1.095 -8.499 1.00 0.00 H new ATOM 0 HA LYS A 59 0.071 3.585 -9.639 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.527 1.940 -11.647 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.963 1.172 -11.137 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.844 2.656 -12.638 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.883 3.679 -11.216 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.107 4.843 -11.858 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.534 3.630 -13.048 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.347 5.531 -14.240 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.531 4.245 -14.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.573 6.352 -13.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.777 5.267 -12.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.629 6.514 -12.428 1.00 0.00 H new ATOM 952 N ILE A 60 -2.244 3.174 -8.702 1.00 0.00 N ATOM 953 CA ILE A 60 -3.448 3.006 -7.898 1.00 0.00 C ATOM 954 C ILE A 60 -4.699 3.025 -8.770 1.00 0.00 C ATOM 955 O ILE A 60 -4.795 3.804 -9.719 1.00 0.00 O ATOM 956 CB ILE A 60 -3.567 4.106 -6.826 1.00 0.00 C ATOM 957 CG1 ILE A 60 -2.333 4.101 -5.921 1.00 0.00 C ATOM 958 CG2 ILE A 60 -4.833 3.911 -6.005 1.00 0.00 C ATOM 959 CD1 ILE A 60 -2.303 5.247 -4.934 1.00 0.00 C ATOM 0 H ILE A 60 -2.168 4.080 -9.164 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.366 2.037 -7.406 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.626 5.074 -7.324 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.298 3.159 -5.373 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.437 4.143 -6.541 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.903 4.696 -5.252 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.703 3.959 -6.660 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.802 2.939 -5.514 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.401 5.180 -4.326 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.306 6.193 -5.475 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.180 5.195 -4.289 1.00 0.00 H new ATOM 971 N ARG A 61 -5.656 2.164 -8.440 1.00 0.00 N ATOM 972 CA ARG A 61 -6.902 2.082 -9.193 1.00 0.00 C ATOM 973 C ARG A 61 -8.037 1.568 -8.312 1.00 0.00 C ATOM 974 O ARG A 61 -7.831 1.246 -7.142 1.00 0.00 O ATOM 975 CB ARG A 61 -6.731 1.167 -10.407 1.00 0.00 C ATOM 976 CG ARG A 61 -6.391 -0.270 -10.043 1.00 0.00 C ATOM 977 CD ARG A 61 -6.674 -1.218 -11.198 1.00 0.00 C ATOM 978 NE ARG A 61 -8.037 -1.739 -11.157 1.00 0.00 N ATOM 979 CZ ARG A 61 -8.441 -2.675 -10.305 1.00 0.00 C ATOM 980 NH1 ARG A 61 -7.590 -3.190 -9.428 1.00 0.00 N ATOM 981 NH2 ARG A 61 -9.699 -3.098 -10.329 1.00 0.00 N ATOM 0 H ARG A 61 -5.593 1.514 -7.657 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.156 3.085 -9.536 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.651 1.177 -10.992 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.943 1.567 -11.045 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.339 -0.337 -9.765 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.971 -0.573 -9.171 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.513 -0.697 -12.142 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.968 -2.048 -11.167 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.717 -1.364 -11.819 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.623 -2.868 -9.406 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.903 -3.908 -8.775 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.357 -2.704 -11.002 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.008 -3.817 -9.674 1.00 0.00 H new ATOM 995 N ASP A 62 -9.235 1.496 -8.881 1.00 0.00 N ATOM 996 CA ASP A 62 -10.403 1.021 -8.148 1.00 0.00 C ATOM 997 C ASP A 62 -10.244 -0.447 -7.764 1.00 0.00 C ATOM 998 O ASP A 62 -9.712 -1.247 -8.534 1.00 0.00 O ATOM 999 CB ASP A 62 -11.668 1.207 -8.986 1.00 0.00 C ATOM 1000 CG ASP A 62 -12.929 1.192 -8.144 1.00 0.00 C ATOM 1001 OD1 ASP A 62 -12.966 1.906 -7.119 1.00 0.00 O ATOM 1002 OD2 ASP A 62 -13.878 0.468 -8.509 1.00 0.00 O ATOM 0 H ASP A 62 -9.423 1.761 -9.848 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.492 1.609 -7.235 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.607 2.152 -9.526 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -11.725 0.416 -9.733 1.00 0.00 H new ATOM 1129 N LYS A 71 -15.652 -1.791 2.485 1.00 0.00 N ATOM 1130 CA LYS A 71 -14.895 -0.744 3.162 1.00 0.00 C ATOM 1131 C LYS A 71 -14.021 0.021 2.173 1.00 0.00 C ATOM 1132 O LYS A 71 -13.948 -0.329 0.994 1.00 0.00 O ATOM 1133 CB LYS A 71 -14.026 -1.347 4.267 1.00 0.00 C ATOM 1134 CG LYS A 71 -13.756 -0.393 5.418 1.00 0.00 C ATOM 1135 CD LYS A 71 -13.377 -1.141 6.685 1.00 0.00 C ATOM 1136 CE LYS A 71 -12.907 -0.189 7.774 1.00 0.00 C ATOM 1137 NZ LYS A 71 -12.703 -0.890 9.073 1.00 0.00 N ATOM 0 HA LYS A 71 -15.605 -0.047 3.607 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -14.514 -2.241 4.654 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.075 -1.664 3.838 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.953 0.291 5.144 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -14.642 0.214 5.604 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.235 -1.710 7.043 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.588 -1.859 6.463 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.974 0.283 7.466 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.640 0.607 7.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.383 -0.207 9.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.599 -1.320 9.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.985 -1.633 8.957 1.00 0.00 H new ATOM 1151 N HIS A 72 -13.358 1.064 2.660 1.00 0.00 N ATOM 1152 CA HIS A 72 -12.486 1.877 1.819 1.00 0.00 C ATOM 1153 C HIS A 72 -11.123 1.214 1.648 1.00 0.00 C ATOM 1154 O HIS A 72 -10.231 1.381 2.480 1.00 0.00 O ATOM 1155 CB HIS A 72 -12.316 3.272 2.422 1.00 0.00 C ATOM 1156 CG HIS A 72 -13.566 3.812 3.046 1.00 0.00 C ATOM 1157 ND1 HIS A 72 -14.677 4.173 2.314 1.00 0.00 N ATOM 1158 CD2 HIS A 72 -13.878 4.049 4.342 1.00 0.00 C ATOM 1159 CE1 HIS A 72 -15.617 4.611 3.132 1.00 0.00 C ATOM 1160 NE2 HIS A 72 -15.158 4.546 4.368 1.00 0.00 N ATOM 0 H HIS A 72 -13.407 1.367 3.633 1.00 0.00 H new ATOM 0 HA HIS A 72 -12.951 1.968 0.838 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -11.529 3.240 3.175 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -11.984 3.958 1.643 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -13.239 3.879 5.196 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -16.595 4.963 2.839 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -15.671 4.820 5.206 1.00 0.00 H new ATOM 1169 N VAL A 73 -10.969 0.460 0.564 1.00 0.00 N ATOM 1170 CA VAL A 73 -9.715 -0.229 0.284 1.00 0.00 C ATOM 1171 C VAL A 73 -9.266 0.010 -1.153 1.00 0.00 C ATOM 1172 O VAL A 73 -10.051 -0.126 -2.091 1.00 0.00 O ATOM 1173 CB VAL A 73 -9.841 -1.745 0.526 1.00 0.00 C ATOM 1174 CG1 VAL A 73 -11.108 -2.285 -0.118 1.00 0.00 C ATOM 1175 CG2 VAL A 73 -8.613 -2.472 -0.003 1.00 0.00 C ATOM 0 H VAL A 73 -11.697 0.311 -0.135 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.970 0.179 0.967 1.00 0.00 H new ATOM 0 HB VAL A 73 -9.905 -1.920 1.600 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.180 -3.357 0.063 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.976 -1.785 0.312 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.078 -2.100 -1.192 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.718 -3.542 0.176 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.516 -2.291 -1.073 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.724 -2.104 0.509 1.00 0.00 H new ATOM 1185 N PHE A 74 -7.996 0.367 -1.319 1.00 0.00 N ATOM 1186 CA PHE A 74 -7.442 0.626 -2.642 1.00 0.00 C ATOM 1187 C PHE A 74 -6.377 -0.408 -2.998 1.00 0.00 C ATOM 1188 O PHE A 74 -5.558 -0.784 -2.160 1.00 0.00 O ATOM 1189 CB PHE A 74 -6.842 2.032 -2.701 1.00 0.00 C ATOM 1190 CG PHE A 74 -5.762 2.267 -1.683 1.00 0.00 C ATOM 1191 CD1 PHE A 74 -6.077 2.415 -0.342 1.00 0.00 C ATOM 1192 CD2 PHE A 74 -4.433 2.338 -2.068 1.00 0.00 C ATOM 1193 CE1 PHE A 74 -5.085 2.632 0.596 1.00 0.00 C ATOM 1194 CE2 PHE A 74 -3.437 2.554 -1.134 1.00 0.00 C ATOM 1195 CZ PHE A 74 -3.764 2.700 0.200 1.00 0.00 C ATOM 0 H PHE A 74 -7.332 0.483 -0.554 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.252 0.553 -3.368 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -6.434 2.203 -3.697 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.636 2.764 -2.552 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.108 2.360 -0.026 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.172 2.223 -3.110 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.343 2.748 1.638 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.405 2.609 -1.447 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.988 2.867 0.932 1.00 0.00 H new ATOM 1205 N ALA A 75 -6.398 -0.865 -4.246 1.00 0.00 N ATOM 1206 CA ALA A 75 -5.435 -1.854 -4.713 1.00 0.00 C ATOM 1207 C ALA A 75 -4.264 -1.186 -5.425 1.00 0.00 C ATOM 1208 O ALA A 75 -4.434 -0.173 -6.104 1.00 0.00 O ATOM 1209 CB ALA A 75 -6.113 -2.857 -5.635 1.00 0.00 C ATOM 0 H ALA A 75 -7.071 -0.566 -4.951 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.044 -2.383 -3.844 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.382 -3.590 -5.976 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.912 -3.366 -5.095 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.532 -2.335 -6.495 1.00 0.00 H new ATOM 1215 N ILE A 76 -3.076 -1.759 -5.266 1.00 0.00 N ATOM 1216 CA ILE A 76 -1.877 -1.219 -5.894 1.00 0.00 C ATOM 1217 C ILE A 76 -1.231 -2.244 -6.820 1.00 0.00 C ATOM 1218 O ILE A 76 -0.791 -3.306 -6.378 1.00 0.00 O ATOM 1219 CB ILE A 76 -0.843 -0.771 -4.844 1.00 0.00 C ATOM 1220 CG1 ILE A 76 -1.377 0.423 -4.049 1.00 0.00 C ATOM 1221 CG2 ILE A 76 0.476 -0.420 -5.515 1.00 0.00 C ATOM 1222 CD1 ILE A 76 -0.400 0.950 -3.022 1.00 0.00 C ATOM 0 H ILE A 76 -2.918 -2.598 -4.707 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.191 -0.353 -6.476 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.668 -1.596 -4.153 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.632 1.225 -4.741 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.299 0.131 -3.546 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.196 -0.105 -4.760 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.860 -1.294 -6.041 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.318 0.391 -6.226 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.845 1.795 -2.497 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.163 0.162 -2.307 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.514 1.273 -3.521 1.00 0.00 H new ATOM 1234 N PHE A 77 -1.177 -1.919 -8.108 1.00 0.00 N ATOM 1235 CA PHE A 77 -0.584 -2.812 -9.097 1.00 0.00 C ATOM 1236 C PHE A 77 0.657 -2.183 -9.722 1.00 0.00 C ATOM 1237 O PHE A 77 0.760 -0.962 -9.829 1.00 0.00 O ATOM 1238 CB PHE A 77 -1.604 -3.148 -10.187 1.00 0.00 C ATOM 1239 CG PHE A 77 -1.892 -2.001 -11.113 1.00 0.00 C ATOM 1240 CD1 PHE A 77 -1.068 -1.745 -12.197 1.00 0.00 C ATOM 1241 CD2 PHE A 77 -2.987 -1.179 -10.899 1.00 0.00 C ATOM 1242 CE1 PHE A 77 -1.331 -0.689 -13.050 1.00 0.00 C ATOM 1243 CE2 PHE A 77 -3.255 -0.122 -11.749 1.00 0.00 C ATOM 1244 CZ PHE A 77 -2.426 0.122 -12.826 1.00 0.00 C ATOM 0 H PHE A 77 -1.536 -1.045 -8.491 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.288 -3.731 -8.590 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.236 -3.992 -10.770 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.534 -3.467 -9.717 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.211 -2.377 -12.378 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.639 -1.366 -10.058 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.681 -0.499 -13.891 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -4.111 0.512 -11.571 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.634 0.946 -13.492 1.00 0.00 H new ATOM 1254 N ASN A 78 1.598 -3.027 -10.133 1.00 0.00 N ATOM 1255 CA ASN A 78 2.834 -2.555 -10.747 1.00 0.00 C ATOM 1256 C ASN A 78 2.641 -2.312 -12.241 1.00 0.00 C ATOM 1257 O ASN A 78 2.159 -3.183 -12.966 1.00 0.00 O ATOM 1258 CB ASN A 78 3.958 -3.568 -10.525 1.00 0.00 C ATOM 1259 CG ASN A 78 4.729 -3.305 -9.246 1.00 0.00 C ATOM 1260 OD1 ASN A 78 4.279 -3.651 -8.154 1.00 0.00 O ATOM 1261 ND2 ASN A 78 5.899 -2.689 -9.376 1.00 0.00 N ATOM 0 H ASN A 78 1.528 -4.041 -10.052 1.00 0.00 H new ATOM 0 HA ASN A 78 3.107 -1.611 -10.275 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.537 -4.573 -10.492 1.00 0.00 H new ATOM 0 HB3 ASN A 78 4.643 -3.538 -11.372 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.463 -2.485 -8.551 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.234 -2.420 -10.301 1.00 0.00 H new ATOM 1268 N THR A 79 3.021 -1.122 -12.696 1.00 0.00 N ATOM 1269 CA THR A 79 2.890 -0.763 -14.102 1.00 0.00 C ATOM 1270 C THR A 79 3.788 -1.630 -14.977 1.00 0.00 C ATOM 1271 O THR A 79 3.625 -1.676 -16.195 1.00 0.00 O ATOM 1272 CB THR A 79 3.237 0.719 -14.339 1.00 0.00 C ATOM 1273 OG1 THR A 79 4.628 0.943 -14.085 1.00 0.00 O ATOM 1274 CG2 THR A 79 2.400 1.620 -13.444 1.00 0.00 C ATOM 0 H THR A 79 3.422 -0.390 -12.110 1.00 0.00 H new ATOM 0 HA THR A 79 1.848 -0.932 -14.375 1.00 0.00 H new ATOM 0 HB THR A 79 3.015 0.960 -15.379 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.841 1.887 -14.240 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.662 2.662 -13.629 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.343 1.468 -13.661 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.594 1.377 -12.399 1.00 0.00 H new ATOM 1282 N GLU A 80 4.737 -2.316 -14.346 1.00 0.00 N ATOM 1283 CA GLU A 80 5.661 -3.181 -15.069 1.00 0.00 C ATOM 1284 C GLU A 80 5.095 -4.592 -15.202 1.00 0.00 C ATOM 1285 O GLU A 80 5.841 -5.570 -15.242 1.00 0.00 O ATOM 1286 CB GLU A 80 7.014 -3.229 -14.355 1.00 0.00 C ATOM 1287 CG GLU A 80 7.571 -1.857 -14.015 1.00 0.00 C ATOM 1288 CD GLU A 80 9.086 -1.840 -13.959 1.00 0.00 C ATOM 1289 OE1 GLU A 80 9.649 -2.308 -12.947 1.00 0.00 O ATOM 1290 OE2 GLU A 80 9.710 -1.358 -14.928 1.00 0.00 O ATOM 0 H GLU A 80 4.885 -2.289 -13.337 1.00 0.00 H new ATOM 0 HA GLU A 80 5.799 -2.767 -16.068 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.911 -3.808 -13.437 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.730 -3.756 -14.986 1.00 0.00 H new ATOM 0 HG2 GLU A 80 7.231 -1.136 -14.759 1.00 0.00 H new ATOM 0 HG3 GLU A 80 7.172 -1.535 -13.053 1.00 0.00 H new ATOM 1352 N VAL A 84 3.380 -7.102 -7.404 1.00 0.00 N ATOM 1353 CA VAL A 84 3.753 -6.092 -6.421 1.00 0.00 C ATOM 1354 C VAL A 84 4.287 -6.736 -5.146 1.00 0.00 C ATOM 1355 O VAL A 84 5.267 -6.270 -4.566 1.00 0.00 O ATOM 1356 CB VAL A 84 2.558 -5.187 -6.065 1.00 0.00 C ATOM 1357 CG1 VAL A 84 1.979 -4.550 -7.318 1.00 0.00 C ATOM 1358 CG2 VAL A 84 1.495 -5.979 -5.318 1.00 0.00 C ATOM 0 HA VAL A 84 4.537 -5.485 -6.873 1.00 0.00 H new ATOM 0 HB VAL A 84 2.910 -4.389 -5.411 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.136 -3.914 -7.047 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.745 -3.948 -7.807 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.640 -5.330 -8.000 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.658 -5.325 -5.074 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.144 -6.799 -5.945 1.00 0.00 H new ATOM 0 HG23 VAL A 84 1.920 -6.382 -4.399 1.00 0.00 H new ATOM 1368 N TYR A 85 3.635 -7.810 -4.715 1.00 0.00 N ATOM 1369 CA TYR A 85 4.042 -8.518 -3.507 1.00 0.00 C ATOM 1370 C TYR A 85 4.675 -9.863 -3.851 1.00 0.00 C ATOM 1371 O TYR A 85 4.820 -10.213 -5.023 1.00 0.00 O ATOM 1372 CB TYR A 85 2.841 -8.728 -2.584 1.00 0.00 C ATOM 1373 CG TYR A 85 3.211 -8.832 -1.122 1.00 0.00 C ATOM 1374 CD1 TYR A 85 4.103 -7.936 -0.546 1.00 0.00 C ATOM 1375 CD2 TYR A 85 2.670 -9.827 -0.317 1.00 0.00 C ATOM 1376 CE1 TYR A 85 4.446 -8.027 0.789 1.00 0.00 C ATOM 1377 CE2 TYR A 85 3.006 -9.925 1.020 1.00 0.00 C ATOM 1378 CZ TYR A 85 3.894 -9.023 1.568 1.00 0.00 C ATOM 1379 OH TYR A 85 4.231 -9.118 2.898 1.00 0.00 O ATOM 0 H TYR A 85 2.822 -8.210 -5.184 1.00 0.00 H new ATOM 0 HA TYR A 85 4.785 -7.908 -2.992 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.144 -7.901 -2.715 1.00 0.00 H new ATOM 0 HB3 TYR A 85 2.318 -9.636 -2.883 1.00 0.00 H new ATOM 0 HD1 TYR A 85 4.536 -7.154 -1.153 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.975 -10.536 -0.743 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.142 -7.323 1.220 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.576 -10.704 1.632 1.00 0.00 H new ATOM 0 HH TYR A 85 3.754 -9.872 3.303 1.00 0.00 H new ATOM 1389 N LYS A 86 5.049 -10.614 -2.821 1.00 0.00 N ATOM 1390 CA LYS A 86 5.664 -11.922 -3.011 1.00 0.00 C ATOM 1391 C LYS A 86 5.040 -12.650 -4.197 1.00 0.00 C ATOM 1392 O LYS A 86 5.733 -13.018 -5.146 1.00 0.00 O ATOM 1393 CB LYS A 86 5.514 -12.768 -1.744 1.00 0.00 C ATOM 1394 CG LYS A 86 6.350 -12.270 -0.578 1.00 0.00 C ATOM 1395 CD LYS A 86 6.525 -13.344 0.482 1.00 0.00 C ATOM 1396 CE LYS A 86 6.688 -12.739 1.868 1.00 0.00 C ATOM 1397 NZ LYS A 86 6.640 -13.776 2.935 1.00 0.00 N ATOM 0 H LYS A 86 4.937 -10.339 -1.845 1.00 0.00 H new ATOM 0 HA LYS A 86 6.724 -11.771 -3.217 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.465 -12.782 -1.448 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.795 -13.797 -1.969 1.00 0.00 H new ATOM 0 HG2 LYS A 86 7.328 -11.952 -0.940 1.00 0.00 H new ATOM 0 HG3 LYS A 86 5.874 -11.395 -0.135 1.00 0.00 H new ATOM 0 HD2 LYS A 86 5.661 -14.009 0.474 1.00 0.00 H new ATOM 0 HD3 LYS A 86 7.398 -13.952 0.244 1.00 0.00 H new ATOM 0 HE2 LYS A 86 7.637 -12.206 1.922 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.900 -12.005 2.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 6.755 -13.323 3.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.724 -14.268 2.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.407 -14.462 2.787 1.00 0.00 H new ATOM 1411 N ASP A 87 3.729 -12.854 -4.137 1.00 0.00 N ATOM 1412 CA ASP A 87 3.011 -13.536 -5.208 1.00 0.00 C ATOM 1413 C ASP A 87 1.812 -12.712 -5.669 1.00 0.00 C ATOM 1414 O ASP A 87 1.455 -12.722 -6.848 1.00 0.00 O ATOM 1415 CB ASP A 87 2.548 -14.917 -4.743 1.00 0.00 C ATOM 1416 CG ASP A 87 2.288 -15.861 -5.900 1.00 0.00 C ATOM 1417 OD1 ASP A 87 3.236 -16.554 -6.324 1.00 0.00 O ATOM 1418 OD2 ASP A 87 1.137 -15.906 -6.382 1.00 0.00 O ATOM 0 H ASP A 87 3.141 -12.557 -3.358 1.00 0.00 H new ATOM 0 HA ASP A 87 3.693 -13.655 -6.050 1.00 0.00 H new ATOM 0 HB2 ASP A 87 3.305 -15.349 -4.088 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.638 -14.812 -4.152 1.00 0.00 H new ATOM 1423 N LEU A 88 1.194 -12.002 -4.732 1.00 0.00 N ATOM 1424 CA LEU A 88 0.034 -11.173 -5.041 1.00 0.00 C ATOM 1425 C LEU A 88 0.371 -10.142 -6.113 1.00 0.00 C ATOM 1426 O LEU A 88 1.440 -9.531 -6.086 1.00 0.00 O ATOM 1427 CB LEU A 88 -0.465 -10.469 -3.778 1.00 0.00 C ATOM 1428 CG LEU A 88 -0.866 -11.379 -2.616 1.00 0.00 C ATOM 1429 CD1 LEU A 88 -0.982 -10.579 -1.328 1.00 0.00 C ATOM 1430 CD2 LEU A 88 -2.175 -12.092 -2.923 1.00 0.00 C ATOM 0 H LEU A 88 1.476 -11.984 -3.752 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.754 -11.822 -5.423 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.316 -9.793 -3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.324 -9.854 -4.045 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.089 -12.131 -2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.268 -11.243 -0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.022 -10.116 -1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.739 -9.804 -1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.444 -12.735 -2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.962 -11.355 -3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.057 -12.698 -3.822 1.00 0.00 H new ATOM 1442 N ARG A 89 -0.548 -9.951 -7.053 1.00 0.00 N ATOM 1443 CA ARG A 89 -0.348 -8.992 -8.133 1.00 0.00 C ATOM 1444 C ARG A 89 -0.698 -7.579 -7.677 1.00 0.00 C ATOM 1445 O ARG A 89 -0.152 -6.600 -8.185 1.00 0.00 O ATOM 1446 CB ARG A 89 -1.199 -9.373 -9.346 1.00 0.00 C ATOM 1447 CG ARG A 89 -0.776 -8.678 -10.630 1.00 0.00 C ATOM 1448 CD ARG A 89 -1.249 -9.440 -11.858 1.00 0.00 C ATOM 1449 NE ARG A 89 -1.019 -8.689 -13.090 1.00 0.00 N ATOM 1450 CZ ARG A 89 -1.251 -9.179 -14.303 1.00 0.00 C ATOM 1451 NH1 ARG A 89 -1.717 -10.412 -14.446 1.00 0.00 N ATOM 1452 NH2 ARG A 89 -1.017 -8.434 -15.376 1.00 0.00 N ATOM 0 H ARG A 89 -1.438 -10.447 -7.089 1.00 0.00 H new ATOM 0 HA ARG A 89 0.705 -9.014 -8.415 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.145 -10.452 -9.492 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -2.241 -9.131 -9.138 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.183 -7.667 -10.649 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.310 -8.585 -10.654 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.729 -10.396 -11.914 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.312 -9.660 -11.761 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.661 -7.737 -13.015 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -1.898 -10.987 -13.623 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.894 -10.785 -15.379 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.659 -7.485 -15.270 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -1.195 -8.811 -16.307 1.00 0.00 H new ATOM 1466 N GLN A 90 -1.612 -7.481 -6.717 1.00 0.00 N ATOM 1467 CA GLN A 90 -2.035 -6.188 -6.194 1.00 0.00 C ATOM 1468 C GLN A 90 -2.407 -6.292 -4.719 1.00 0.00 C ATOM 1469 O GLN A 90 -3.219 -7.133 -4.332 1.00 0.00 O ATOM 1470 CB GLN A 90 -3.224 -5.654 -6.995 1.00 0.00 C ATOM 1471 CG GLN A 90 -4.425 -6.585 -6.994 1.00 0.00 C ATOM 1472 CD GLN A 90 -5.445 -6.224 -8.056 1.00 0.00 C ATOM 1473 OE1 GLN A 90 -5.116 -6.121 -9.239 1.00 0.00 O ATOM 1474 NE2 GLN A 90 -6.691 -6.029 -7.640 1.00 0.00 N ATOM 0 H GLN A 90 -2.074 -8.282 -6.286 1.00 0.00 H new ATOM 0 HA GLN A 90 -1.199 -5.495 -6.291 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.523 -4.689 -6.586 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.910 -5.481 -8.024 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.086 -7.609 -7.154 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -4.901 -6.556 -6.014 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.919 -6.125 -6.650 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -7.420 -5.783 -8.310 1.00 0.00 H new ATOM 1483 N ILE A 91 -1.807 -5.434 -3.900 1.00 0.00 N ATOM 1484 CA ILE A 91 -2.077 -5.430 -2.468 1.00 0.00 C ATOM 1485 C ILE A 91 -3.276 -4.548 -2.136 1.00 0.00 C ATOM 1486 O ILE A 91 -3.292 -3.360 -2.458 1.00 0.00 O ATOM 1487 CB ILE A 91 -0.856 -4.941 -1.667 1.00 0.00 C ATOM 1488 CG1 ILE A 91 0.408 -5.672 -2.123 1.00 0.00 C ATOM 1489 CG2 ILE A 91 -1.084 -5.145 -0.176 1.00 0.00 C ATOM 1490 CD1 ILE A 91 1.684 -4.912 -1.835 1.00 0.00 C ATOM 0 H ILE A 91 -1.131 -4.733 -4.204 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.298 -6.459 -2.186 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.723 -3.875 -1.852 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.454 -6.643 -1.630 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.342 -5.861 -3.194 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.212 -4.795 0.377 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.963 -4.582 0.138 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.240 -6.205 0.027 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.539 -5.490 -2.185 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.660 -3.952 -2.350 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.774 -4.746 -0.762 1.00 0.00 H new ATOM 1502 N GLU A 92 -4.277 -5.137 -1.490 1.00 0.00 N ATOM 1503 CA GLU A 92 -5.479 -4.403 -1.114 1.00 0.00 C ATOM 1504 C GLU A 92 -5.311 -3.747 0.254 1.00 0.00 C ATOM 1505 O GLU A 92 -5.416 -4.407 1.289 1.00 0.00 O ATOM 1506 CB GLU A 92 -6.690 -5.339 -1.098 1.00 0.00 C ATOM 1507 CG GLU A 92 -7.351 -5.503 -2.456 1.00 0.00 C ATOM 1508 CD GLU A 92 -8.505 -6.486 -2.428 1.00 0.00 C ATOM 1509 OE1 GLU A 92 -9.309 -6.432 -1.475 1.00 0.00 O ATOM 1510 OE2 GLU A 92 -8.603 -7.310 -3.362 1.00 0.00 O ATOM 0 H GLU A 92 -4.279 -6.120 -1.216 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.643 -3.620 -1.855 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.377 -6.318 -0.735 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -7.425 -4.956 -0.390 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -7.713 -4.534 -2.799 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -6.608 -5.841 -3.179 1.00 0.00 H new ATOM 1517 N LEU A 93 -5.049 -2.445 0.250 1.00 0.00 N ATOM 1518 CA LEU A 93 -4.866 -1.698 1.490 1.00 0.00 C ATOM 1519 C LEU A 93 -6.184 -1.090 1.960 1.00 0.00 C ATOM 1520 O LEU A 93 -6.718 -0.179 1.328 1.00 0.00 O ATOM 1521 CB LEU A 93 -3.824 -0.596 1.295 1.00 0.00 C ATOM 1522 CG LEU A 93 -2.444 -1.053 0.820 1.00 0.00 C ATOM 1523 CD1 LEU A 93 -1.618 0.136 0.355 1.00 0.00 C ATOM 1524 CD2 LEU A 93 -1.721 -1.806 1.928 1.00 0.00 C ATOM 0 H LEU A 93 -4.958 -1.885 -0.597 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.515 -2.391 2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.215 0.122 0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.704 -0.066 2.240 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.578 -1.729 -0.025 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.640 -0.209 0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.128 0.633 -0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.493 0.837 1.180 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.741 -2.124 1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.599 -1.153 2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.304 -2.681 2.214 1.00 0.00 H new ATOM 1536 N ALA A 94 -6.701 -1.600 3.072 1.00 0.00 N ATOM 1537 CA ALA A 94 -7.954 -1.105 3.629 1.00 0.00 C ATOM 1538 C ALA A 94 -7.698 -0.081 4.730 1.00 0.00 C ATOM 1539 O ALA A 94 -6.857 -0.292 5.604 1.00 0.00 O ATOM 1540 CB ALA A 94 -8.787 -2.260 4.164 1.00 0.00 C ATOM 0 H ALA A 94 -6.272 -2.356 3.605 1.00 0.00 H new ATOM 0 HA ALA A 94 -8.508 -0.611 2.831 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -9.720 -1.875 4.577 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -9.008 -2.955 3.354 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.231 -2.778 4.945 1.00 0.00 H new ATOM 1546 N CYS A 95 -8.428 1.028 4.681 1.00 0.00 N ATOM 1547 CA CYS A 95 -8.279 2.086 5.673 1.00 0.00 C ATOM 1548 C CYS A 95 -9.494 2.143 6.594 1.00 0.00 C ATOM 1549 O CYS A 95 -10.491 1.457 6.366 1.00 0.00 O ATOM 1550 CB CYS A 95 -8.083 3.437 4.984 1.00 0.00 C ATOM 1551 SG CYS A 95 -6.506 3.601 4.115 1.00 0.00 S ATOM 0 H CYS A 95 -9.129 1.217 3.965 1.00 0.00 H new ATOM 0 HA CYS A 95 -7.399 1.863 6.276 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -8.895 3.591 4.273 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -8.158 4.228 5.730 1.00 0.00 H new ATOM 0 HG CYS A 95 -6.435 4.776 3.563 1.00 0.00 H new ATOM 1557 N ASP A 96 -9.403 2.963 7.635 1.00 0.00 N ATOM 1558 CA ASP A 96 -10.494 3.109 8.591 1.00 0.00 C ATOM 1559 C ASP A 96 -11.639 3.917 7.990 1.00 0.00 C ATOM 1560 O ASP A 96 -12.799 3.511 8.054 1.00 0.00 O ATOM 1561 CB ASP A 96 -9.993 3.783 9.870 1.00 0.00 C ATOM 1562 CG ASP A 96 -9.000 4.893 9.588 1.00 0.00 C ATOM 1563 OD1 ASP A 96 -9.438 5.999 9.209 1.00 0.00 O ATOM 1564 OD2 ASP A 96 -7.785 4.656 9.748 1.00 0.00 O ATOM 0 H ASP A 96 -8.585 3.537 7.838 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.865 2.114 8.836 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -10.842 4.190 10.419 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.526 3.036 10.512 1.00 0.00 H new ATOM 1569 N SER A 97 -11.305 5.064 7.407 1.00 0.00 N ATOM 1570 CA SER A 97 -12.305 5.933 6.798 1.00 0.00 C ATOM 1571 C SER A 97 -11.782 6.537 5.499 1.00 0.00 C ATOM 1572 O SER A 97 -10.591 6.458 5.201 1.00 0.00 O ATOM 1573 CB SER A 97 -12.702 7.047 7.768 1.00 0.00 C ATOM 1574 OG SER A 97 -14.001 7.534 7.481 1.00 0.00 O ATOM 0 H SER A 97 -10.349 5.413 7.344 1.00 0.00 H new ATOM 0 HA SER A 97 -13.183 5.330 6.570 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.669 6.672 8.791 1.00 0.00 H new ATOM 0 HB3 SER A 97 -11.982 7.863 7.704 1.00 0.00 H new ATOM 0 HG SER A 97 -14.232 8.244 8.116 1.00 0.00 H new ATOM 1580 N GLN A 98 -12.683 7.139 4.729 1.00 0.00 N ATOM 1581 CA GLN A 98 -12.313 7.756 3.461 1.00 0.00 C ATOM 1582 C GLN A 98 -11.217 8.798 3.661 1.00 0.00 C ATOM 1583 O GLN A 98 -10.228 8.819 2.930 1.00 0.00 O ATOM 1584 CB GLN A 98 -13.536 8.404 2.808 1.00 0.00 C ATOM 1585 CG GLN A 98 -13.205 9.210 1.563 1.00 0.00 C ATOM 1586 CD GLN A 98 -12.895 8.333 0.365 1.00 0.00 C ATOM 1587 OE1 GLN A 98 -13.714 7.510 -0.045 1.00 0.00 O ATOM 1588 NE2 GLN A 98 -11.707 8.506 -0.203 1.00 0.00 N ATOM 0 H GLN A 98 -13.674 7.212 4.961 1.00 0.00 H new ATOM 0 HA GLN A 98 -11.930 6.975 2.804 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -14.253 7.626 2.547 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -14.023 9.056 3.534 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -14.045 9.862 1.323 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -12.350 9.854 1.768 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -11.059 9.200 0.170 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -11.442 7.945 -1.013 1.00 0.00 H new ATOM 1597 N GLU A 99 -11.402 9.660 4.656 1.00 0.00 N ATOM 1598 CA GLU A 99 -10.429 10.705 4.951 1.00 0.00 C ATOM 1599 C GLU A 99 -9.004 10.185 4.783 1.00 0.00 C ATOM 1600 O GLU A 99 -8.167 10.830 4.152 1.00 0.00 O ATOM 1601 CB GLU A 99 -10.627 11.231 6.374 1.00 0.00 C ATOM 1602 CG GLU A 99 -9.850 12.503 6.667 1.00 0.00 C ATOM 1603 CD GLU A 99 -10.261 13.657 5.774 1.00 0.00 C ATOM 1604 OE1 GLU A 99 -9.920 13.628 4.573 1.00 0.00 O ATOM 1605 OE2 GLU A 99 -10.924 14.589 6.275 1.00 0.00 O ATOM 0 H GLU A 99 -12.216 9.655 5.271 1.00 0.00 H new ATOM 0 HA GLU A 99 -10.586 11.521 4.245 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -11.688 11.418 6.539 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -10.325 10.460 7.083 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -10.000 12.784 7.709 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -8.785 12.311 6.539 1.00 0.00 H new ATOM 1612 N ASP A 100 -8.737 9.015 5.353 1.00 0.00 N ATOM 1613 CA ASP A 100 -7.414 8.407 5.266 1.00 0.00 C ATOM 1614 C ASP A 100 -7.046 8.110 3.816 1.00 0.00 C ATOM 1615 O ASP A 100 -6.011 8.557 3.323 1.00 0.00 O ATOM 1616 CB ASP A 100 -7.367 7.120 6.092 1.00 0.00 C ATOM 1617 CG ASP A 100 -7.179 7.388 7.572 1.00 0.00 C ATOM 1618 OD1 ASP A 100 -8.087 7.984 8.186 1.00 0.00 O ATOM 1619 OD2 ASP A 100 -6.122 7.003 8.116 1.00 0.00 O ATOM 0 H ASP A 100 -9.419 8.469 5.880 1.00 0.00 H new ATOM 0 HA ASP A 100 -6.688 9.114 5.667 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -8.291 6.561 5.941 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -6.552 6.491 5.733 1.00 0.00 H new ATOM 1624 N VAL A 101 -7.901 7.350 3.138 1.00 0.00 N ATOM 1625 CA VAL A 101 -7.666 6.993 1.744 1.00 0.00 C ATOM 1626 C VAL A 101 -7.368 8.229 0.902 1.00 0.00 C ATOM 1627 O VAL A 101 -6.363 8.283 0.194 1.00 0.00 O ATOM 1628 CB VAL A 101 -8.877 6.255 1.142 1.00 0.00 C ATOM 1629 CG1 VAL A 101 -8.634 5.940 -0.326 1.00 0.00 C ATOM 1630 CG2 VAL A 101 -9.171 4.986 1.927 1.00 0.00 C ATOM 0 H VAL A 101 -8.762 6.970 3.532 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.801 6.330 1.729 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.748 6.906 1.209 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -9.500 5.419 -0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -8.476 6.868 -0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -7.751 5.307 -0.421 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.029 4.477 1.488 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.303 4.328 1.893 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.392 5.242 2.963 1.00 0.00 H new ATOM 1640 N ASP A 102 -8.248 9.220 0.985 1.00 0.00 N ATOM 1641 CA ASP A 102 -8.079 10.458 0.232 1.00 0.00 C ATOM 1642 C ASP A 102 -6.685 11.039 0.448 1.00 0.00 C ATOM 1643 O ASP A 102 -6.043 11.503 -0.494 1.00 0.00 O ATOM 1644 CB ASP A 102 -9.140 11.479 0.644 1.00 0.00 C ATOM 1645 CG ASP A 102 -9.224 12.647 -0.319 1.00 0.00 C ATOM 1646 OD1 ASP A 102 -8.162 13.109 -0.786 1.00 0.00 O ATOM 1647 OD2 ASP A 102 -10.353 13.100 -0.606 1.00 0.00 O ATOM 0 H ASP A 102 -9.086 9.191 1.566 1.00 0.00 H new ATOM 0 HA ASP A 102 -8.198 10.230 -0.827 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.111 10.987 0.700 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -8.913 11.851 1.643 1.00 0.00 H new ATOM 1652 N SER A 103 -6.224 11.010 1.694 1.00 0.00 N ATOM 1653 CA SER A 103 -4.908 11.538 2.034 1.00 0.00 C ATOM 1654 C SER A 103 -3.804 10.686 1.415 1.00 0.00 C ATOM 1655 O SER A 103 -2.965 11.187 0.666 1.00 0.00 O ATOM 1656 CB SER A 103 -4.734 11.593 3.553 1.00 0.00 C ATOM 1657 OG SER A 103 -3.784 12.578 3.923 1.00 0.00 O ATOM 0 H SER A 103 -6.742 10.627 2.485 1.00 0.00 H new ATOM 0 HA SER A 103 -4.834 12.548 1.630 1.00 0.00 H new ATOM 0 HB2 SER A 103 -5.692 11.812 4.024 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.414 10.618 3.921 1.00 0.00 H new ATOM 0 HG SER A 103 -3.693 12.594 4.899 1.00 0.00 H new ATOM 1663 N TRP A 104 -3.811 9.397 1.735 1.00 0.00 N ATOM 1664 CA TRP A 104 -2.811 8.475 1.211 1.00 0.00 C ATOM 1665 C TRP A 104 -2.639 8.655 -0.294 1.00 0.00 C ATOM 1666 O TRP A 104 -1.518 8.675 -0.803 1.00 0.00 O ATOM 1667 CB TRP A 104 -3.206 7.030 1.522 1.00 0.00 C ATOM 1668 CG TRP A 104 -2.794 6.584 2.892 1.00 0.00 C ATOM 1669 CD1 TRP A 104 -3.611 6.382 3.968 1.00 0.00 C ATOM 1670 CD2 TRP A 104 -1.465 6.286 3.333 1.00 0.00 C ATOM 1671 NE1 TRP A 104 -2.869 5.976 5.051 1.00 0.00 N ATOM 1672 CE2 TRP A 104 -1.550 5.909 4.687 1.00 0.00 C ATOM 1673 CE3 TRP A 104 -0.212 6.299 2.715 1.00 0.00 C ATOM 1674 CZ2 TRP A 104 -0.429 5.551 5.432 1.00 0.00 C ATOM 1675 CZ3 TRP A 104 0.900 5.944 3.455 1.00 0.00 C ATOM 1676 CH2 TRP A 104 0.785 5.573 4.801 1.00 0.00 C ATOM 0 H TRP A 104 -4.498 8.967 2.355 1.00 0.00 H new ATOM 0 HA TRP A 104 -1.860 8.697 1.696 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -4.287 6.927 1.424 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -2.754 6.370 0.782 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -4.682 6.521 3.968 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -3.240 5.760 5.976 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -0.114 6.582 1.677 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -0.515 5.266 6.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 1.874 5.953 2.988 1.00 0.00 H new ATOM 0 HH2 TRP A 104 1.673 5.299 5.352 1.00 0.00 H new ATOM 1687 N LYS A 105 -3.756 8.785 -1.001 1.00 0.00 N ATOM 1688 CA LYS A 105 -3.730 8.965 -2.448 1.00 0.00 C ATOM 1689 C LYS A 105 -3.006 10.254 -2.822 1.00 0.00 C ATOM 1690 O LYS A 105 -1.986 10.227 -3.510 1.00 0.00 O ATOM 1691 CB LYS A 105 -5.155 8.987 -3.005 1.00 0.00 C ATOM 1692 CG LYS A 105 -5.821 7.622 -3.026 1.00 0.00 C ATOM 1693 CD LYS A 105 -7.267 7.714 -3.482 1.00 0.00 C ATOM 1694 CE LYS A 105 -7.723 6.427 -4.153 1.00 0.00 C ATOM 1695 NZ LYS A 105 -7.470 6.446 -5.620 1.00 0.00 N ATOM 0 H LYS A 105 -4.692 8.769 -0.595 1.00 0.00 H new ATOM 0 HA LYS A 105 -3.189 8.125 -2.885 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.760 9.668 -2.406 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.134 9.387 -4.019 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.270 6.958 -3.692 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.780 7.181 -2.030 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.907 7.925 -2.625 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.378 8.547 -4.176 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.202 5.580 -3.706 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -8.787 6.280 -3.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -7.795 5.552 -6.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -7.987 7.239 -6.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.451 6.561 -5.795 1.00 0.00 H new ATOM 1709 N ALA A 106 -3.541 11.382 -2.364 1.00 0.00 N ATOM 1710 CA ALA A 106 -2.943 12.681 -2.649 1.00 0.00 C ATOM 1711 C ALA A 106 -1.450 12.678 -2.341 1.00 0.00 C ATOM 1712 O ALA A 106 -0.668 13.360 -3.004 1.00 0.00 O ATOM 1713 CB ALA A 106 -3.646 13.771 -1.853 1.00 0.00 C ATOM 0 H ALA A 106 -4.386 11.422 -1.795 1.00 0.00 H new ATOM 0 HA ALA A 106 -3.067 12.885 -3.713 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -3.190 14.736 -2.075 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -4.701 13.797 -2.125 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -3.552 13.562 -0.787 1.00 0.00 H new ATOM 1719 N SER A 107 -1.060 11.906 -1.331 1.00 0.00 N ATOM 1720 CA SER A 107 0.340 11.818 -0.932 1.00 0.00 C ATOM 1721 C SER A 107 1.166 11.113 -2.004 1.00 0.00 C ATOM 1722 O SER A 107 2.277 11.535 -2.325 1.00 0.00 O ATOM 1723 CB SER A 107 0.467 11.074 0.398 1.00 0.00 C ATOM 1724 OG SER A 107 -0.203 11.767 1.436 1.00 0.00 O ATOM 0 H SER A 107 -1.694 11.333 -0.774 1.00 0.00 H new ATOM 0 HA SER A 107 0.723 12.831 -0.811 1.00 0.00 H new ATOM 0 HB2 SER A 107 0.051 10.071 0.299 1.00 0.00 H new ATOM 0 HB3 SER A 107 1.520 10.958 0.654 1.00 0.00 H new ATOM 0 HG SER A 107 -1.172 11.685 1.312 1.00 0.00 H new ATOM 1730 N PHE A 108 0.615 10.036 -2.553 1.00 0.00 N ATOM 1731 CA PHE A 108 1.301 9.270 -3.588 1.00 0.00 C ATOM 1732 C PHE A 108 1.647 10.156 -4.781 1.00 0.00 C ATOM 1733 O PHE A 108 2.773 10.133 -5.280 1.00 0.00 O ATOM 1734 CB PHE A 108 0.430 8.097 -4.045 1.00 0.00 C ATOM 1735 CG PHE A 108 0.646 6.844 -3.245 1.00 0.00 C ATOM 1736 CD1 PHE A 108 1.824 6.125 -3.363 1.00 0.00 C ATOM 1737 CD2 PHE A 108 -0.330 6.385 -2.375 1.00 0.00 C ATOM 1738 CE1 PHE A 108 2.024 4.971 -2.629 1.00 0.00 C ATOM 1739 CE2 PHE A 108 -0.135 5.232 -1.638 1.00 0.00 C ATOM 1740 CZ PHE A 108 1.044 4.525 -1.764 1.00 0.00 C ATOM 0 H PHE A 108 -0.304 9.674 -2.299 1.00 0.00 H new ATOM 0 HA PHE A 108 2.228 8.883 -3.165 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -0.619 8.386 -3.978 1.00 0.00 H new ATOM 0 HB3 PHE A 108 0.636 7.889 -5.095 1.00 0.00 H new ATOM 0 HD1 PHE A 108 2.595 6.470 -4.036 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -1.254 6.935 -2.272 1.00 0.00 H new ATOM 0 HE1 PHE A 108 2.946 4.418 -2.732 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.904 4.885 -0.964 1.00 0.00 H new ATOM 0 HZ PHE A 108 1.200 3.625 -1.187 1.00 0.00 H new ATOM 1750 N LEU A 109 0.671 10.935 -5.234 1.00 0.00 N ATOM 1751 CA LEU A 109 0.871 11.830 -6.369 1.00 0.00 C ATOM 1752 C LEU A 109 2.118 12.686 -6.175 1.00 0.00 C ATOM 1753 O LEU A 109 2.917 12.855 -7.097 1.00 0.00 O ATOM 1754 CB LEU A 109 -0.353 12.727 -6.558 1.00 0.00 C ATOM 1755 CG LEU A 109 -1.468 12.164 -7.440 1.00 0.00 C ATOM 1756 CD1 LEU A 109 -2.478 11.398 -6.599 1.00 0.00 C ATOM 1757 CD2 LEU A 109 -2.153 13.282 -8.212 1.00 0.00 C ATOM 0 H LEU A 109 -0.266 10.965 -4.833 1.00 0.00 H new ATOM 0 HA LEU A 109 1.008 11.219 -7.262 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -0.771 12.949 -5.576 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.022 13.674 -6.985 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.024 11.473 -8.157 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.264 11.005 -7.243 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.978 10.573 -6.092 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.917 12.067 -5.858 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.944 12.863 -8.834 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.583 13.997 -7.511 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.423 13.788 -8.844 1.00 0.00 H new ATOM 1769 N ARG A 110 2.281 13.221 -4.969 1.00 0.00 N ATOM 1770 CA ARG A 110 3.431 14.059 -4.654 1.00 0.00 C ATOM 1771 C ARG A 110 4.736 13.307 -4.904 1.00 0.00 C ATOM 1772 O ARG A 110 5.713 13.883 -5.381 1.00 0.00 O ATOM 1773 CB ARG A 110 3.368 14.521 -3.197 1.00 0.00 C ATOM 1774 CG ARG A 110 2.313 15.585 -2.941 1.00 0.00 C ATOM 1775 CD ARG A 110 2.488 16.225 -1.572 1.00 0.00 C ATOM 1776 NE ARG A 110 1.537 17.311 -1.351 1.00 0.00 N ATOM 1777 CZ ARG A 110 1.575 18.116 -0.295 1.00 0.00 C ATOM 1778 NH1 ARG A 110 2.510 17.958 0.631 1.00 0.00 N ATOM 1779 NH2 ARG A 110 0.675 19.082 -0.164 1.00 0.00 N ATOM 0 H ARG A 110 1.631 13.089 -4.194 1.00 0.00 H new ATOM 0 HA ARG A 110 3.403 14.932 -5.307 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.166 13.660 -2.560 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.343 14.911 -2.906 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.374 16.352 -3.713 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.321 15.139 -3.011 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.360 15.468 -0.799 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.504 16.608 -1.478 1.00 0.00 H new ATOM 0 HE ARG A 110 0.804 17.459 -2.045 1.00 0.00 H new ATOM 0 HH11 ARG A 110 3.204 17.216 0.534 1.00 0.00 H new ATOM 0 HH12 ARG A 110 2.536 18.578 1.440 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -0.046 19.207 -0.874 1.00 0.00 H new ATOM 0 HH22 ARG A 110 0.704 19.700 0.647 1.00 0.00 H new ATOM 1793 N ALA A 111 4.742 12.019 -4.578 1.00 0.00 N ATOM 1794 CA ALA A 111 5.925 11.189 -4.769 1.00 0.00 C ATOM 1795 C ALA A 111 6.206 10.966 -6.251 1.00 0.00 C ATOM 1796 O ALA A 111 7.358 10.830 -6.661 1.00 0.00 O ATOM 1797 CB ALA A 111 5.754 9.855 -4.056 1.00 0.00 C ATOM 0 H ALA A 111 3.941 11.528 -4.181 1.00 0.00 H new ATOM 0 HA ALA A 111 6.779 11.712 -4.339 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.645 9.245 -4.207 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.609 10.028 -2.990 1.00 0.00 H new ATOM 0 HB3 ALA A 111 4.885 9.335 -4.460 1.00 0.00 H new ATOM 1803 N GLY A 112 5.145 10.928 -7.051 1.00 0.00 N ATOM 1804 CA GLY A 112 5.299 10.721 -8.479 1.00 0.00 C ATOM 1805 C GLY A 112 4.426 9.596 -8.999 1.00 0.00 C ATOM 1806 O GLY A 112 4.809 8.879 -9.924 1.00 0.00 O ATOM 0 H GLY A 112 4.181 11.037 -6.735 1.00 0.00 H new ATOM 0 HA2 GLY A 112 5.051 11.643 -9.005 1.00 0.00 H new ATOM 0 HA3 GLY A 112 6.343 10.499 -8.700 1.00 0.00 H new ATOM 1810 N VAL A 113 3.248 9.439 -8.403 1.00 0.00 N ATOM 1811 CA VAL A 113 2.318 8.393 -8.811 1.00 0.00 C ATOM 1812 C VAL A 113 1.013 8.989 -9.327 1.00 0.00 C ATOM 1813 O VAL A 113 0.072 9.204 -8.563 1.00 0.00 O ATOM 1814 CB VAL A 113 2.007 7.433 -7.648 1.00 0.00 C ATOM 1815 CG1 VAL A 113 0.915 6.451 -8.043 1.00 0.00 C ATOM 1816 CG2 VAL A 113 3.266 6.697 -7.214 1.00 0.00 C ATOM 0 H VAL A 113 2.915 10.023 -7.636 1.00 0.00 H new ATOM 0 HA VAL A 113 2.801 7.835 -9.613 1.00 0.00 H new ATOM 0 HB VAL A 113 1.646 8.019 -6.803 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.709 5.781 -7.208 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.009 6.999 -8.301 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.244 5.868 -8.904 1.00 0.00 H new ATOM 0 HG21 VAL A 113 3.028 6.023 -6.391 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.659 6.122 -8.053 1.00 0.00 H new ATOM 0 HG23 VAL A 113 4.015 7.418 -6.887 1.00 0.00 H new