USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 636 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 26 TYR OH : rot 180:sc= 0.277 USER MOD Set 1.2: A 28 SER OG : rot -154:sc= 0.745 USER MOD Set 2.1: A 13 HIS : no HD1:sc= -2.33! C(o=-3.3!,f=-8.8!) USER MOD Set 2.2: A 21 ASN : amide:sc= -0.981 K(o=-3.3,f=-5.2!) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 122:sc= 0.26 USER MOD Single : A 17 ASN : amide:sc= -0.438 K(o=-0.44,f=-2.5!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.00749 USER MOD Single : A 24 ASN : amide:sc= -1.87 K(o=-1.9,f=-4.9!) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.033) USER MOD Single : A 42 ASN : amide:sc= -3.59! C(o=-3.6!,f=-11!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.523 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -157:sc= 2.06 USER MOD Single : A 75 LYS NZ :NH3+ -175:sc= -2.2 (180deg=-2.43!) USER MOD Single : A 78 TYR OH : rot -164:sc= 0.633 USER MOD Single : A 83 ASN : amide:sc=-0.00198 K(o=-0.002,f=-0.94) USER MOD Single : A 84 HIS : no HD1:sc= -5.18! C(o=-5.2!,f=-11!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 65:sc= 0.0168 USER MOD Single : A 89 GLN : amide:sc= -1.69! K(o=-1.7!,f=-0.25) USER MOD Single : A 91 LYS NZ :NH3+ -165:sc= -0.973 (180deg=-1.42) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 178:sc= 0 (180deg=-0.006) USER MOD ----------------------------------------------------------------- ATOM 17 N ILE A 7 3.597 -5.993 6.009 1.00 0.00 N ATOM 18 CA ILE A 7 3.159 -4.640 5.703 1.00 0.00 C ATOM 19 C ILE A 7 1.981 -4.286 6.599 1.00 0.00 C ATOM 20 O ILE A 7 1.264 -5.179 7.052 1.00 0.00 O ATOM 21 CB ILE A 7 2.696 -4.528 4.227 1.00 0.00 C ATOM 22 CG1 ILE A 7 3.613 -5.329 3.298 1.00 0.00 C ATOM 23 CG2 ILE A 7 2.637 -3.073 3.773 1.00 0.00 C ATOM 24 CD1 ILE A 7 2.866 -6.024 2.173 1.00 0.00 C ATOM 0 HA ILE A 7 3.996 -3.962 5.868 1.00 0.00 H new ATOM 0 HB ILE A 7 1.692 -4.948 4.172 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.360 -4.660 2.871 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.151 -6.075 3.883 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.309 -3.029 2.734 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.933 -2.525 4.399 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.626 -2.624 3.861 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.573 -6.574 1.552 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.138 -6.717 2.594 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.350 -5.281 1.565 1.00 0.00 H new ATOM 36 N GLN A 8 1.776 -3.001 6.861 1.00 0.00 N ATOM 37 CA GLN A 8 0.634 -2.569 7.647 1.00 0.00 C ATOM 38 C GLN A 8 -0.125 -1.476 6.900 1.00 0.00 C ATOM 39 O GLN A 8 0.367 -0.355 6.756 1.00 0.00 O ATOM 40 CB GLN A 8 1.096 -2.061 9.017 1.00 0.00 C ATOM 41 CG GLN A 8 1.835 -3.111 9.846 1.00 0.00 C ATOM 42 CD GLN A 8 2.303 -2.570 11.184 1.00 0.00 C ATOM 43 OE1 GLN A 8 1.666 -1.700 11.777 1.00 0.00 O ATOM 44 NE2 GLN A 8 3.427 -3.078 11.666 1.00 0.00 N ATOM 0 H GLN A 8 2.383 -2.246 6.542 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.033 -3.417 7.802 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.748 -1.199 8.874 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.228 -1.714 9.577 1.00 0.00 H new ATOM 0 HG2 GLN A 8 1.179 -3.966 10.012 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.695 -3.474 9.283 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.926 -3.798 11.144 1.00 0.00 H new ATOM 0 HE22 GLN A 8 3.794 -2.749 12.559 1.00 0.00 H new ATOM 53 N VAL A 9 -1.303 -1.815 6.393 1.00 0.00 N ATOM 54 CA VAL A 9 -2.129 -0.848 5.683 1.00 0.00 C ATOM 55 C VAL A 9 -3.107 -0.157 6.622 1.00 0.00 C ATOM 56 O VAL A 9 -3.613 -0.762 7.566 1.00 0.00 O ATOM 57 CB VAL A 9 -2.925 -1.493 4.523 1.00 0.00 C ATOM 58 CG1 VAL A 9 -2.018 -1.762 3.340 1.00 0.00 C ATOM 59 CG2 VAL A 9 -3.594 -2.779 4.981 1.00 0.00 C ATOM 0 H VAL A 9 -1.707 -2.749 6.460 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.438 -0.114 5.267 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.701 -0.794 4.212 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.596 -2.216 2.534 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.585 -0.824 2.993 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.220 -2.440 3.641 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.148 -3.216 4.151 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.835 -3.483 5.321 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.279 -2.561 5.800 1.00 0.00 H new ATOM 69 N TYR A 10 -3.376 1.106 6.321 1.00 0.00 N ATOM 70 CA TYR A 10 -4.233 1.965 7.136 1.00 0.00 C ATOM 71 C TYR A 10 -4.713 3.134 6.294 1.00 0.00 C ATOM 72 O TYR A 10 -4.295 3.295 5.144 1.00 0.00 O ATOM 73 CB TYR A 10 -3.491 2.497 8.375 1.00 0.00 C ATOM 74 CG TYR A 10 -3.360 1.484 9.503 1.00 0.00 C ATOM 75 CD1 TYR A 10 -2.111 1.122 9.997 1.00 0.00 C ATOM 76 CD2 TYR A 10 -4.484 0.869 10.055 1.00 0.00 C ATOM 77 CE1 TYR A 10 -1.985 0.182 11.008 1.00 0.00 C ATOM 78 CE2 TYR A 10 -4.364 -0.070 11.068 1.00 0.00 C ATOM 79 CZ TYR A 10 -3.115 -0.407 11.536 1.00 0.00 C ATOM 80 OH TYR A 10 -2.991 -1.338 12.543 1.00 0.00 O ATOM 0 H TYR A 10 -3.002 1.571 5.494 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.079 1.371 7.481 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.495 2.823 8.076 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.015 3.376 8.750 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.224 1.581 9.586 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.465 1.129 9.687 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.008 -0.088 11.380 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.245 -0.534 11.487 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.880 -1.657 12.805 1.00 0.00 H new ATOM 90 N SER A 11 -5.586 3.947 6.855 1.00 0.00 N ATOM 91 CA SER A 11 -6.114 5.089 6.133 1.00 0.00 C ATOM 92 C SER A 11 -5.955 6.380 6.927 1.00 0.00 C ATOM 93 O SER A 11 -5.718 6.364 8.135 1.00 0.00 O ATOM 94 CB SER A 11 -7.589 4.868 5.823 1.00 0.00 C ATOM 95 OG SER A 11 -7.786 3.663 5.101 1.00 0.00 O ATOM 0 H SER A 11 -5.944 3.840 7.804 1.00 0.00 H new ATOM 0 HA SER A 11 -5.546 5.186 5.207 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.158 4.835 6.752 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.972 5.709 5.244 1.00 0.00 H new ATOM 0 HG SER A 11 -8.393 3.078 5.601 1.00 0.00 H new ATOM 101 N ARG A 12 -6.085 7.498 6.218 1.00 0.00 N ATOM 102 CA ARG A 12 -5.978 8.827 6.831 1.00 0.00 C ATOM 103 C ARG A 12 -7.325 9.291 7.362 1.00 0.00 C ATOM 104 O ARG A 12 -7.410 10.218 8.166 1.00 0.00 O ATOM 105 CB ARG A 12 -5.458 9.860 5.823 1.00 0.00 C ATOM 106 CG ARG A 12 -4.699 10.989 6.489 1.00 0.00 C ATOM 107 CD ARG A 12 -3.675 10.430 7.455 1.00 0.00 C ATOM 108 NE ARG A 12 -2.707 9.568 6.778 1.00 0.00 N ATOM 109 CZ ARG A 12 -1.842 8.777 7.408 1.00 0.00 C ATOM 110 NH1 ARG A 12 -1.820 8.740 8.733 1.00 0.00 N ATOM 111 NH2 ARG A 12 -1.004 8.018 6.708 1.00 0.00 N ATOM 0 H ARG A 12 -6.265 7.514 5.214 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.272 8.744 7.657 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.807 9.364 5.103 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.298 10.272 5.263 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.203 11.599 5.734 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.393 11.641 7.020 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.151 11.251 7.945 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.183 9.864 8.236 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.694 9.573 5.758 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.466 9.318 9.270 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.157 8.133 9.215 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.024 8.042 5.688 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.341 7.412 7.191 1.00 0.00 H new ATOM 125 N HIS A 13 -8.365 8.637 6.905 1.00 0.00 N ATOM 126 CA HIS A 13 -9.732 9.050 7.195 1.00 0.00 C ATOM 127 C HIS A 13 -10.535 7.857 7.706 1.00 0.00 C ATOM 128 O HIS A 13 -10.099 6.714 7.562 1.00 0.00 O ATOM 129 CB HIS A 13 -10.388 9.612 5.924 1.00 0.00 C ATOM 130 CG HIS A 13 -9.555 10.619 5.185 1.00 0.00 C ATOM 131 ND1 HIS A 13 -9.015 10.328 3.955 1.00 0.00 N ATOM 132 CD2 HIS A 13 -9.213 11.884 5.529 1.00 0.00 C ATOM 133 CE1 HIS A 13 -8.363 11.414 3.579 1.00 0.00 C ATOM 134 NE2 HIS A 13 -8.455 12.381 4.499 1.00 0.00 N ATOM 0 H HIS A 13 -8.296 7.803 6.321 1.00 0.00 H new ATOM 0 HA HIS A 13 -9.715 9.825 7.961 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -10.616 8.785 5.252 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -11.338 10.074 6.194 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -9.484 12.401 6.438 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -7.824 11.509 2.648 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -8.040 13.311 4.445 1.00 0.00 H new ATOM 142 N PRO A 14 -11.699 8.103 8.331 1.00 0.00 N ATOM 143 CA PRO A 14 -12.603 7.034 8.774 1.00 0.00 C ATOM 144 C PRO A 14 -13.303 6.374 7.589 1.00 0.00 C ATOM 145 O PRO A 14 -13.739 7.061 6.663 1.00 0.00 O ATOM 146 CB PRO A 14 -13.638 7.754 9.653 1.00 0.00 C ATOM 147 CG PRO A 14 -13.100 9.139 9.855 1.00 0.00 C ATOM 148 CD PRO A 14 -12.233 9.430 8.662 1.00 0.00 C ATOM 0 HA PRO A 14 -12.068 6.242 9.298 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -14.614 7.779 9.169 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.768 7.241 10.606 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.910 9.864 9.933 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.525 9.202 10.779 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -12.805 9.855 7.838 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.440 10.140 8.899 1.00 0.00 H new ATOM 156 N ALA A 15 -13.393 5.047 7.607 1.00 0.00 N ATOM 157 CA ALA A 15 -14.043 4.300 6.530 1.00 0.00 C ATOM 158 C ALA A 15 -15.508 4.693 6.370 1.00 0.00 C ATOM 159 O ALA A 15 -16.362 4.259 7.153 1.00 0.00 O ATOM 160 CB ALA A 15 -13.943 2.798 6.786 1.00 0.00 C ATOM 0 H ALA A 15 -13.023 4.464 8.358 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.522 4.549 5.606 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.432 2.257 5.975 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -12.894 2.506 6.836 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.432 2.556 7.730 1.00 0.00 H new ATOM 166 N GLU A 16 -15.807 5.518 5.371 1.00 0.00 N ATOM 167 CA GLU A 16 -17.193 5.856 5.069 1.00 0.00 C ATOM 168 C GLU A 16 -17.589 5.313 3.695 1.00 0.00 C ATOM 169 O GLU A 16 -17.058 5.752 2.672 1.00 0.00 O ATOM 170 CB GLU A 16 -17.408 7.375 5.119 1.00 0.00 C ATOM 171 CG GLU A 16 -17.790 7.912 6.485 1.00 0.00 C ATOM 172 CD GLU A 16 -19.148 7.437 6.942 1.00 0.00 C ATOM 173 OE1 GLU A 16 -20.144 7.736 6.251 1.00 0.00 O ATOM 174 OE2 GLU A 16 -19.233 6.795 8.007 1.00 0.00 O ATOM 0 H GLU A 16 -15.117 5.960 4.764 1.00 0.00 H new ATOM 0 HA GLU A 16 -17.827 5.393 5.826 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.494 7.870 4.791 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.188 7.642 4.406 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -17.039 7.606 7.213 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -17.782 9.002 6.457 1.00 0.00 H new ATOM 181 N ASN A 17 -18.496 4.337 3.681 1.00 0.00 N ATOM 182 CA ASN A 17 -18.997 3.756 2.440 1.00 0.00 C ATOM 183 C ASN A 17 -19.551 4.845 1.514 1.00 0.00 C ATOM 184 O ASN A 17 -20.573 5.469 1.807 1.00 0.00 O ATOM 185 CB ASN A 17 -20.067 2.676 2.751 1.00 0.00 C ATOM 186 CG ASN A 17 -20.922 2.314 1.547 1.00 0.00 C ATOM 187 OD1 ASN A 17 -20.571 1.436 0.759 1.00 0.00 O ATOM 188 ND2 ASN A 17 -22.064 2.971 1.411 1.00 0.00 N ATOM 0 H ASN A 17 -18.901 3.930 4.524 1.00 0.00 H new ATOM 0 HA ASN A 17 -18.170 3.274 1.918 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -19.571 1.778 3.119 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -20.713 3.034 3.552 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -22.687 2.755 0.633 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -22.321 3.692 2.085 1.00 0.00 H new ATOM 195 N GLY A 18 -18.848 5.085 0.409 1.00 0.00 N ATOM 196 CA GLY A 18 -19.278 6.088 -0.555 1.00 0.00 C ATOM 197 C GLY A 18 -18.281 7.218 -0.749 1.00 0.00 C ATOM 198 O GLY A 18 -18.370 7.956 -1.732 1.00 0.00 O ATOM 0 H GLY A 18 -17.985 4.601 0.163 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.455 5.603 -1.515 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -20.230 6.507 -0.229 1.00 0.00 H new ATOM 202 N LYS A 19 -17.331 7.374 0.169 1.00 0.00 N ATOM 203 CA LYS A 19 -16.360 8.466 0.050 1.00 0.00 C ATOM 204 C LYS A 19 -15.131 8.042 -0.722 1.00 0.00 C ATOM 205 O LYS A 19 -14.790 6.862 -0.771 1.00 0.00 O ATOM 206 CB LYS A 19 -15.870 8.936 1.414 1.00 0.00 C ATOM 207 CG LYS A 19 -16.938 9.205 2.453 1.00 0.00 C ATOM 208 CD LYS A 19 -17.665 10.540 2.280 1.00 0.00 C ATOM 209 CE LYS A 19 -18.386 10.717 0.936 1.00 0.00 C ATOM 210 NZ LYS A 19 -18.632 12.154 0.647 1.00 0.00 N ATOM 0 H LYS A 19 -17.210 6.776 0.986 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.887 9.266 -0.470 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -15.188 8.184 1.811 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.291 9.849 1.274 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.671 8.399 2.420 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -16.480 9.180 3.442 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -18.394 10.646 3.083 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -16.943 11.348 2.397 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -17.787 10.280 0.138 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -19.334 10.179 0.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -19.120 12.246 -0.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.224 12.563 1.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -17.724 12.660 0.607 1.00 0.00 H new ATOM 224 N SER A 20 -14.473 9.019 -1.324 1.00 0.00 N ATOM 225 CA SER A 20 -13.129 8.825 -1.825 1.00 0.00 C ATOM 226 C SER A 20 -12.120 9.399 -0.840 1.00 0.00 C ATOM 227 O SER A 20 -12.338 10.467 -0.260 1.00 0.00 O ATOM 228 CB SER A 20 -12.957 9.430 -3.220 1.00 0.00 C ATOM 229 OG SER A 20 -13.747 10.601 -3.377 1.00 0.00 O ATOM 0 H SER A 20 -14.851 9.954 -1.476 1.00 0.00 H new ATOM 0 HA SER A 20 -12.948 7.754 -1.921 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.907 9.672 -3.387 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.238 8.695 -3.974 1.00 0.00 H new ATOM 0 HG SER A 20 -13.615 10.966 -4.277 1.00 0.00 H new ATOM 235 N ASN A 21 -11.031 8.673 -0.653 1.00 0.00 N ATOM 236 CA ASN A 21 -10.000 9.009 0.327 1.00 0.00 C ATOM 237 C ASN A 21 -8.692 8.410 -0.186 1.00 0.00 C ATOM 238 O ASN A 21 -8.565 8.176 -1.391 1.00 0.00 O ATOM 239 CB ASN A 21 -10.334 8.431 1.710 1.00 0.00 C ATOM 240 CG ASN A 21 -11.754 8.702 2.197 1.00 0.00 C ATOM 241 OD1 ASN A 21 -12.701 8.021 1.803 1.00 0.00 O ATOM 242 ND2 ASN A 21 -11.907 9.655 3.098 1.00 0.00 N ATOM 0 H ASN A 21 -10.831 7.823 -1.181 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.928 10.091 0.442 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.174 7.353 1.685 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.632 8.840 2.437 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.830 9.844 3.488 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.102 10.202 3.404 1.00 0.00 H new ATOM 249 N PHE A 22 -7.741 8.105 0.698 1.00 0.00 N ATOM 250 CA PHE A 22 -6.430 7.621 0.257 1.00 0.00 C ATOM 251 C PHE A 22 -6.017 6.369 1.037 1.00 0.00 C ATOM 252 O PHE A 22 -6.073 6.359 2.270 1.00 0.00 O ATOM 253 CB PHE A 22 -5.365 8.711 0.438 1.00 0.00 C ATOM 254 CG PHE A 22 -5.554 9.914 -0.444 1.00 0.00 C ATOM 255 CD1 PHE A 22 -5.796 9.760 -1.799 1.00 0.00 C ATOM 256 CD2 PHE A 22 -5.476 11.197 0.078 1.00 0.00 C ATOM 257 CE1 PHE A 22 -5.959 10.860 -2.617 1.00 0.00 C ATOM 258 CE2 PHE A 22 -5.641 12.299 -0.734 1.00 0.00 C ATOM 259 CZ PHE A 22 -5.882 12.132 -2.083 1.00 0.00 C ATOM 0 H PHE A 22 -7.850 8.182 1.709 1.00 0.00 H new ATOM 0 HA PHE A 22 -6.509 7.367 -0.800 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.366 9.035 1.479 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.384 8.280 0.239 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.858 8.768 -2.221 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.284 11.334 1.132 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -6.146 10.727 -3.672 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.582 13.293 -0.315 1.00 0.00 H new ATOM 0 HZ PHE A 22 -6.010 12.995 -2.720 1.00 0.00 H new ATOM 269 N LEU A 23 -5.602 5.320 0.320 1.00 0.00 N ATOM 270 CA LEU A 23 -5.138 4.081 0.963 1.00 0.00 C ATOM 271 C LEU A 23 -3.628 4.135 1.174 1.00 0.00 C ATOM 272 O LEU A 23 -2.867 4.380 0.239 1.00 0.00 O ATOM 273 CB LEU A 23 -5.524 2.837 0.128 1.00 0.00 C ATOM 274 CG LEU A 23 -4.884 1.487 0.546 1.00 0.00 C ATOM 275 CD1 LEU A 23 -5.184 1.142 1.999 1.00 0.00 C ATOM 276 CD2 LEU A 23 -5.378 0.365 -0.356 1.00 0.00 C ATOM 0 H LEU A 23 -5.577 5.301 -0.700 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.629 3.996 1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.608 2.725 0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.260 3.031 -0.912 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.805 1.595 0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.718 0.190 2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.787 1.923 2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.262 1.066 2.140 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.920 -0.576 -0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.462 0.284 -0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.106 0.582 -1.389 1.00 0.00 H new ATOM 288 N ASN A 24 -3.209 3.917 2.411 1.00 0.00 N ATOM 289 CA ASN A 24 -1.799 3.993 2.772 1.00 0.00 C ATOM 290 C ASN A 24 -1.225 2.605 3.009 1.00 0.00 C ATOM 291 O ASN A 24 -1.744 1.840 3.823 1.00 0.00 O ATOM 292 CB ASN A 24 -1.611 4.834 4.041 1.00 0.00 C ATOM 293 CG ASN A 24 -2.074 6.267 3.883 1.00 0.00 C ATOM 294 OD1 ASN A 24 -1.302 7.148 3.509 1.00 0.00 O ATOM 295 ND2 ASN A 24 -3.339 6.516 4.180 1.00 0.00 N ATOM 0 H ASN A 24 -3.829 3.685 3.187 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.272 4.463 1.942 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.160 4.370 4.861 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.557 4.828 4.320 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.704 7.465 4.102 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.949 5.759 4.487 1.00 0.00 H new ATOM 302 N CYS A 25 -0.160 2.279 2.292 1.00 0.00 N ATOM 303 CA CYS A 25 0.572 1.042 2.518 1.00 0.00 C ATOM 304 C CYS A 25 1.976 1.381 3.034 1.00 0.00 C ATOM 305 O CYS A 25 2.803 1.917 2.295 1.00 0.00 O ATOM 306 CB CYS A 25 0.659 0.237 1.213 1.00 0.00 C ATOM 307 SG CYS A 25 1.872 -1.118 1.256 1.00 0.00 S ATOM 0 H CYS A 25 0.219 2.859 1.543 1.00 0.00 H new ATOM 0 HA CYS A 25 0.052 0.435 3.259 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.324 -0.177 0.988 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.915 0.914 0.398 1.00 0.00 H new ATOM 312 N TYR A 26 2.230 1.084 4.302 1.00 0.00 N ATOM 313 CA TYR A 26 3.490 1.484 4.947 1.00 0.00 C ATOM 314 C TYR A 26 4.506 0.342 4.911 1.00 0.00 C ATOM 315 O TYR A 26 4.380 -0.656 5.626 1.00 0.00 O ATOM 316 CB TYR A 26 3.212 2.022 6.383 1.00 0.00 C ATOM 317 CG TYR A 26 4.317 1.858 7.405 1.00 0.00 C ATOM 318 CD1 TYR A 26 4.233 0.871 8.379 1.00 0.00 C ATOM 319 CD2 TYR A 26 5.416 2.705 7.423 1.00 0.00 C ATOM 320 CE1 TYR A 26 5.214 0.730 9.338 1.00 0.00 C ATOM 321 CE2 TYR A 26 6.402 2.567 8.377 1.00 0.00 C ATOM 322 CZ TYR A 26 6.295 1.578 9.333 1.00 0.00 C ATOM 323 OH TYR A 26 7.273 1.439 10.288 1.00 0.00 O ATOM 0 H TYR A 26 1.589 0.571 4.908 1.00 0.00 H new ATOM 0 HA TYR A 26 3.941 2.304 4.388 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.976 3.083 6.307 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.321 1.524 6.765 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.385 0.203 8.385 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.500 3.483 6.679 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.133 -0.042 10.088 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.254 3.230 8.376 1.00 0.00 H new ATOM 0 HH TYR A 26 7.968 2.115 10.145 1.00 0.00 H new ATOM 333 N VAL A 27 5.497 0.486 4.027 1.00 0.00 N ATOM 334 CA VAL A 27 6.540 -0.513 3.821 1.00 0.00 C ATOM 335 C VAL A 27 7.870 0.030 4.361 1.00 0.00 C ATOM 336 O VAL A 27 8.440 0.957 3.788 1.00 0.00 O ATOM 337 CB VAL A 27 6.694 -0.812 2.303 1.00 0.00 C ATOM 338 CG1 VAL A 27 7.708 -1.918 2.050 1.00 0.00 C ATOM 339 CG2 VAL A 27 5.352 -1.183 1.683 1.00 0.00 C ATOM 0 H VAL A 27 5.596 1.308 3.431 1.00 0.00 H new ATOM 0 HA VAL A 27 6.268 -1.430 4.344 1.00 0.00 H new ATOM 0 HB VAL A 27 7.061 0.099 1.831 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.789 -2.099 0.978 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.680 -1.617 2.441 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.383 -2.831 2.549 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.486 -1.388 0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.956 -2.071 2.176 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.653 -0.356 1.808 1.00 0.00 H new ATOM 349 N SER A 28 8.363 -0.519 5.466 1.00 0.00 N ATOM 350 CA SER A 28 9.551 0.042 6.107 1.00 0.00 C ATOM 351 C SER A 28 10.663 -1.004 6.292 1.00 0.00 C ATOM 352 O SER A 28 10.387 -2.169 6.572 1.00 0.00 O ATOM 353 CB SER A 28 9.150 0.657 7.454 1.00 0.00 C ATOM 354 OG SER A 28 8.717 -0.344 8.364 1.00 0.00 O ATOM 0 H SER A 28 7.969 -1.337 5.931 1.00 0.00 H new ATOM 0 HA SER A 28 9.960 0.814 5.455 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.997 1.196 7.878 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.353 1.385 7.302 1.00 0.00 H new ATOM 0 HG SER A 28 8.104 0.052 9.018 1.00 0.00 H new ATOM 360 N GLY A 29 11.916 -0.564 6.127 1.00 0.00 N ATOM 361 CA GLY A 29 13.079 -1.435 6.311 1.00 0.00 C ATOM 362 C GLY A 29 13.782 -1.745 5.007 1.00 0.00 C ATOM 363 O GLY A 29 14.947 -2.148 4.995 1.00 0.00 O ATOM 0 H GLY A 29 12.149 0.394 5.865 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.782 -0.958 6.995 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.761 -2.367 6.779 1.00 0.00 H new ATOM 367 N PHE A 30 13.078 -1.536 3.912 1.00 0.00 N ATOM 368 CA PHE A 30 13.554 -1.940 2.599 1.00 0.00 C ATOM 369 C PHE A 30 14.173 -0.768 1.850 1.00 0.00 C ATOM 370 O PHE A 30 13.780 0.381 2.048 1.00 0.00 O ATOM 371 CB PHE A 30 12.387 -2.510 1.798 1.00 0.00 C ATOM 372 CG PHE A 30 11.707 -3.680 2.484 1.00 0.00 C ATOM 373 CD1 PHE A 30 12.074 -4.987 2.190 1.00 0.00 C ATOM 374 CD2 PHE A 30 10.707 -3.471 3.433 1.00 0.00 C ATOM 375 CE1 PHE A 30 11.457 -6.059 2.821 1.00 0.00 C ATOM 376 CE2 PHE A 30 10.093 -4.541 4.067 1.00 0.00 C ATOM 377 CZ PHE A 30 10.467 -5.832 3.757 1.00 0.00 C ATOM 0 H PHE A 30 12.164 -1.084 3.904 1.00 0.00 H new ATOM 0 HA PHE A 30 14.326 -2.699 2.727 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.654 -1.722 1.625 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.747 -2.830 0.820 1.00 0.00 H new ATOM 0 HD1 PHE A 30 12.849 -5.172 1.461 1.00 0.00 H new ATOM 0 HD2 PHE A 30 10.407 -2.463 3.678 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.751 -7.070 2.580 1.00 0.00 H new ATOM 0 HE2 PHE A 30 9.323 -4.363 4.803 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.985 -6.666 4.246 1.00 0.00 H new ATOM 387 N HIS A 31 15.139 -1.067 0.990 1.00 0.00 N ATOM 388 CA HIS A 31 15.774 -0.049 0.163 1.00 0.00 C ATOM 389 C HIS A 31 14.916 0.203 -1.070 1.00 0.00 C ATOM 390 O HIS A 31 14.823 -0.657 -1.945 1.00 0.00 O ATOM 391 CB HIS A 31 17.183 -0.483 -0.260 1.00 0.00 C ATOM 392 CG HIS A 31 18.116 -0.724 0.888 1.00 0.00 C ATOM 393 ND1 HIS A 31 18.634 -1.970 1.137 1.00 0.00 N ATOM 394 CD2 HIS A 31 18.599 0.147 1.808 1.00 0.00 C ATOM 395 CE1 HIS A 31 19.414 -1.835 2.196 1.00 0.00 C ATOM 396 NE2 HIS A 31 19.424 -0.569 2.637 1.00 0.00 N ATOM 0 H HIS A 31 15.501 -2.010 0.847 1.00 0.00 H new ATOM 0 HA HIS A 31 15.864 0.868 0.745 1.00 0.00 H new ATOM 0 HB2 HIS A 31 17.109 -1.395 -0.852 1.00 0.00 H new ATOM 0 HB3 HIS A 31 17.609 0.284 -0.907 1.00 0.00 H new ATOM 0 HD2 HIS A 31 18.377 1.202 1.875 1.00 0.00 H new ATOM 0 HE1 HIS A 31 19.972 -2.642 2.648 1.00 0.00 H new ATOM 0 HE2 HIS A 31 19.945 -0.208 3.436 1.00 0.00 H new ATOM 404 N PRO A 32 14.297 1.398 -1.149 1.00 0.00 N ATOM 405 CA PRO A 32 13.288 1.739 -2.167 1.00 0.00 C ATOM 406 C PRO A 32 13.636 1.311 -3.592 1.00 0.00 C ATOM 407 O PRO A 32 12.749 0.994 -4.385 1.00 0.00 O ATOM 408 CB PRO A 32 13.230 3.261 -2.090 1.00 0.00 C ATOM 409 CG PRO A 32 13.538 3.567 -0.675 1.00 0.00 C ATOM 410 CD PRO A 32 14.534 2.526 -0.226 1.00 0.00 C ATOM 0 HA PRO A 32 12.352 1.219 -1.963 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.953 3.721 -2.763 1.00 0.00 H new ATOM 0 HB3 PRO A 32 12.247 3.637 -2.373 1.00 0.00 H new ATOM 0 HG2 PRO A 32 13.952 4.570 -0.575 1.00 0.00 H new ATOM 0 HG3 PRO A 32 12.636 3.532 -0.064 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.558 2.894 -0.297 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.370 2.236 0.812 1.00 0.00 H new ATOM 418 N SER A 33 14.920 1.293 -3.911 1.00 0.00 N ATOM 419 CA SER A 33 15.355 1.046 -5.271 1.00 0.00 C ATOM 420 C SER A 33 15.104 -0.416 -5.697 1.00 0.00 C ATOM 421 O SER A 33 14.746 -0.666 -6.850 1.00 0.00 O ATOM 422 CB SER A 33 16.833 1.446 -5.427 1.00 0.00 C ATOM 423 OG SER A 33 17.243 1.399 -6.787 1.00 0.00 O ATOM 0 H SER A 33 15.677 1.447 -3.245 1.00 0.00 H new ATOM 0 HA SER A 33 14.760 1.665 -5.943 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.982 2.452 -5.035 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.457 0.777 -4.834 1.00 0.00 H new ATOM 0 HG SER A 33 18.185 1.660 -6.854 1.00 0.00 H new ATOM 429 N ASP A 34 15.249 -1.383 -4.779 1.00 0.00 N ATOM 430 CA ASP A 34 15.104 -2.802 -5.153 1.00 0.00 C ATOM 431 C ASP A 34 13.835 -3.450 -4.604 1.00 0.00 C ATOM 432 O ASP A 34 13.831 -4.655 -4.341 1.00 0.00 O ATOM 433 CB ASP A 34 16.303 -3.639 -4.678 1.00 0.00 C ATOM 434 CG ASP A 34 17.622 -3.184 -5.262 1.00 0.00 C ATOM 435 OD1 ASP A 34 17.858 -3.430 -6.465 1.00 0.00 O ATOM 436 OD2 ASP A 34 18.440 -2.597 -4.523 1.00 0.00 O ATOM 0 H ASP A 34 15.461 -1.218 -3.795 1.00 0.00 H new ATOM 0 HA ASP A 34 15.048 -2.794 -6.242 1.00 0.00 H new ATOM 0 HB2 ASP A 34 16.361 -3.593 -3.590 1.00 0.00 H new ATOM 0 HB3 ASP A 34 16.137 -4.683 -4.945 1.00 0.00 H new ATOM 441 N ILE A 35 12.754 -2.697 -4.435 1.00 0.00 N ATOM 442 CA ILE A 35 11.526 -3.298 -3.927 1.00 0.00 C ATOM 443 C ILE A 35 10.354 -2.964 -4.824 1.00 0.00 C ATOM 444 O ILE A 35 10.422 -2.036 -5.638 1.00 0.00 O ATOM 445 CB ILE A 35 11.189 -2.885 -2.463 1.00 0.00 C ATOM 446 CG1 ILE A 35 10.115 -1.777 -2.420 1.00 0.00 C ATOM 447 CG2 ILE A 35 12.444 -2.457 -1.711 1.00 0.00 C ATOM 448 CD1 ILE A 35 9.673 -1.412 -1.019 1.00 0.00 C ATOM 0 H ILE A 35 12.701 -1.698 -4.635 1.00 0.00 H new ATOM 0 HA ILE A 35 11.704 -4.373 -3.925 1.00 0.00 H new ATOM 0 HB ILE A 35 10.778 -3.762 -1.963 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.505 -0.886 -2.912 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.246 -2.103 -2.992 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.179 -2.174 -0.692 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.153 -3.285 -1.685 1.00 0.00 H new ATOM 0 HG23 ILE A 35 12.899 -1.606 -2.217 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.918 -0.628 -1.069 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.252 -2.290 -0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.530 -1.055 -0.448 1.00 0.00 H new ATOM 460 N GLU A 36 9.290 -3.734 -4.686 1.00 0.00 N ATOM 461 CA GLU A 36 8.127 -3.553 -5.484 1.00 0.00 C ATOM 462 C GLU A 36 6.875 -3.675 -4.620 1.00 0.00 C ATOM 463 O GLU A 36 6.684 -4.671 -3.927 1.00 0.00 O ATOM 464 CB GLU A 36 8.170 -4.618 -6.533 1.00 0.00 C ATOM 465 CG GLU A 36 8.024 -4.089 -7.956 1.00 0.00 C ATOM 466 CD GLU A 36 6.751 -3.300 -8.169 1.00 0.00 C ATOM 467 OE1 GLU A 36 6.729 -2.095 -7.832 1.00 0.00 O ATOM 468 OE2 GLU A 36 5.780 -3.879 -8.690 1.00 0.00 O ATOM 0 H GLU A 36 9.224 -4.498 -4.013 1.00 0.00 H new ATOM 0 HA GLU A 36 8.099 -2.564 -5.942 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.114 -5.157 -6.451 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.374 -5.337 -6.340 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.880 -3.457 -8.192 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.046 -4.927 -8.653 1.00 0.00 H new ATOM 475 N VAL A 37 6.056 -2.647 -4.654 1.00 0.00 N ATOM 476 CA VAL A 37 4.843 -2.576 -3.834 1.00 0.00 C ATOM 477 C VAL A 37 3.674 -2.033 -4.660 1.00 0.00 C ATOM 478 O VAL A 37 3.831 -1.058 -5.394 1.00 0.00 O ATOM 479 CB VAL A 37 5.060 -1.717 -2.540 1.00 0.00 C ATOM 480 CG1 VAL A 37 6.351 -0.922 -2.625 1.00 0.00 C ATOM 481 CG2 VAL A 37 3.889 -0.780 -2.275 1.00 0.00 C ATOM 0 H VAL A 37 6.203 -1.831 -5.248 1.00 0.00 H new ATOM 0 HA VAL A 37 4.603 -3.589 -3.509 1.00 0.00 H new ATOM 0 HB VAL A 37 5.127 -2.415 -1.705 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.477 -0.335 -1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.193 -1.606 -2.736 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.311 -0.254 -3.485 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.081 -0.204 -1.370 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.769 -0.100 -3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.978 -1.364 -2.147 1.00 0.00 H new ATOM 491 N ASP A 38 2.510 -2.674 -4.546 1.00 0.00 N ATOM 492 CA ASP A 38 1.320 -2.237 -5.273 1.00 0.00 C ATOM 493 C ASP A 38 0.119 -2.213 -4.332 1.00 0.00 C ATOM 494 O ASP A 38 0.106 -2.895 -3.305 1.00 0.00 O ATOM 495 CB ASP A 38 0.990 -3.177 -6.456 1.00 0.00 C ATOM 496 CG ASP A 38 2.078 -3.253 -7.500 1.00 0.00 C ATOM 497 OD1 ASP A 38 2.840 -4.239 -7.487 1.00 0.00 O ATOM 498 OD2 ASP A 38 2.148 -2.350 -8.362 1.00 0.00 O ATOM 0 H ASP A 38 2.367 -3.495 -3.958 1.00 0.00 H new ATOM 0 HA ASP A 38 1.528 -1.241 -5.663 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.801 -4.178 -6.069 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.069 -2.839 -6.930 1.00 0.00 H new ATOM 503 N LEU A 39 -0.898 -1.451 -4.709 1.00 0.00 N ATOM 504 CA LEU A 39 -2.143 -1.403 -3.949 1.00 0.00 C ATOM 505 C LEU A 39 -3.209 -2.228 -4.680 1.00 0.00 C ATOM 506 O LEU A 39 -3.405 -2.066 -5.889 1.00 0.00 O ATOM 507 CB LEU A 39 -2.605 0.050 -3.724 1.00 0.00 C ATOM 508 CG LEU A 39 -2.006 0.761 -2.488 1.00 0.00 C ATOM 509 CD1 LEU A 39 -0.511 1.005 -2.634 1.00 0.00 C ATOM 510 CD2 LEU A 39 -2.721 2.075 -2.229 1.00 0.00 C ATOM 0 H LEU A 39 -0.887 -0.856 -5.537 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.978 -1.834 -2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.356 0.632 -4.611 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.691 0.056 -3.633 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.152 0.096 -1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.135 1.506 -1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.003 0.052 -2.758 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.328 1.632 -3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.285 2.560 -1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.613 2.725 -3.097 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.779 1.884 -2.048 1.00 0.00 H new ATOM 522 N LEU A 40 -3.858 -3.140 -3.958 1.00 0.00 N ATOM 523 CA LEU A 40 -4.755 -4.123 -4.568 1.00 0.00 C ATOM 524 C LEU A 40 -6.182 -4.057 -4.024 1.00 0.00 C ATOM 525 O LEU A 40 -6.459 -3.402 -3.017 1.00 0.00 O ATOM 526 CB LEU A 40 -4.259 -5.555 -4.319 1.00 0.00 C ATOM 527 CG LEU A 40 -2.835 -5.906 -4.758 1.00 0.00 C ATOM 528 CD1 LEU A 40 -2.714 -7.416 -4.877 1.00 0.00 C ATOM 529 CD2 LEU A 40 -2.460 -5.248 -6.076 1.00 0.00 C ATOM 0 H LEU A 40 -3.779 -3.219 -2.944 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.757 -3.876 -5.630 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.339 -5.755 -3.251 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.942 -6.238 -4.823 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.144 -5.527 -4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.703 -7.676 -5.189 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.925 -7.875 -3.911 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.427 -7.781 -5.616 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.441 -5.527 -6.345 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.145 -5.580 -6.856 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.524 -4.165 -5.973 1.00 0.00 H new ATOM 541 N LYS A 41 -7.069 -4.775 -4.713 1.00 0.00 N ATOM 542 CA LYS A 41 -8.422 -5.054 -4.251 1.00 0.00 C ATOM 543 C LYS A 41 -8.610 -6.549 -4.261 1.00 0.00 C ATOM 544 O LYS A 41 -8.744 -7.123 -5.336 1.00 0.00 O ATOM 545 CB LYS A 41 -9.485 -4.461 -5.193 1.00 0.00 C ATOM 546 CG LYS A 41 -9.017 -3.214 -5.922 1.00 0.00 C ATOM 547 CD LYS A 41 -10.029 -2.680 -6.957 1.00 0.00 C ATOM 548 CE LYS A 41 -11.430 -2.416 -6.375 1.00 0.00 C ATOM 549 NZ LYS A 41 -11.388 -1.553 -5.165 1.00 0.00 N ATOM 0 H LYS A 41 -6.860 -5.185 -5.623 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.542 -4.615 -3.261 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.772 -5.215 -5.926 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.378 -4.222 -4.616 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.813 -2.432 -5.191 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.076 -3.432 -6.427 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.643 -1.755 -7.385 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.114 -3.398 -7.773 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.052 -1.942 -7.134 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.901 -3.366 -6.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.358 -1.307 -4.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.919 -2.064 -4.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.858 -0.683 -5.377 1.00 0.00 H new ATOM 563 N ASN A 42 -8.666 -7.174 -3.088 1.00 0.00 N ATOM 564 CA ASN A 42 -8.772 -8.627 -2.986 1.00 0.00 C ATOM 565 C ASN A 42 -7.925 -9.323 -4.060 1.00 0.00 C ATOM 566 O ASN A 42 -8.410 -10.186 -4.792 1.00 0.00 O ATOM 567 CB ASN A 42 -10.257 -9.078 -3.087 1.00 0.00 C ATOM 568 CG ASN A 42 -11.262 -7.946 -3.269 1.00 0.00 C ATOM 569 OD1 ASN A 42 -11.960 -7.568 -2.343 1.00 0.00 O ATOM 570 ND2 ASN A 42 -11.346 -7.402 -4.470 1.00 0.00 N ATOM 0 H ASN A 42 -8.640 -6.693 -2.189 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.386 -8.921 -2.010 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.355 -9.769 -3.924 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.515 -9.632 -2.184 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.008 -6.645 -4.642 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.749 -7.739 -5.225 1.00 0.00 H new ATOM 577 N GLY A 43 -6.652 -8.937 -4.136 1.00 0.00 N ATOM 578 CA GLY A 43 -5.756 -9.519 -5.122 1.00 0.00 C ATOM 579 C GLY A 43 -5.945 -8.997 -6.542 1.00 0.00 C ATOM 580 O GLY A 43 -5.613 -9.691 -7.502 1.00 0.00 O ATOM 0 H GLY A 43 -6.226 -8.233 -3.533 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.727 -9.331 -4.814 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.895 -10.600 -5.126 1.00 0.00 H new ATOM 584 N GLU A 44 -6.460 -7.787 -6.689 1.00 0.00 N ATOM 585 CA GLU A 44 -6.691 -7.209 -8.012 1.00 0.00 C ATOM 586 C GLU A 44 -6.049 -5.820 -8.078 1.00 0.00 C ATOM 587 O GLU A 44 -6.408 -4.932 -7.311 1.00 0.00 O ATOM 588 CB GLU A 44 -8.200 -7.134 -8.296 1.00 0.00 C ATOM 589 CG GLU A 44 -8.559 -6.846 -9.746 1.00 0.00 C ATOM 590 CD GLU A 44 -8.297 -8.034 -10.645 1.00 0.00 C ATOM 591 OE1 GLU A 44 -7.162 -8.176 -11.143 1.00 0.00 O ATOM 592 OE2 GLU A 44 -9.228 -8.842 -10.852 1.00 0.00 O ATOM 0 H GLU A 44 -6.727 -7.183 -5.912 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.235 -7.840 -8.775 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.659 -8.078 -8.003 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.637 -6.358 -7.667 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.611 -6.569 -9.810 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.982 -5.991 -10.099 1.00 0.00 H new ATOM 599 N ARG A 45 -5.074 -5.668 -8.966 1.00 0.00 N ATOM 600 CA ARG A 45 -4.291 -4.432 -9.084 1.00 0.00 C ATOM 601 C ARG A 45 -5.197 -3.229 -9.407 1.00 0.00 C ATOM 602 O ARG A 45 -5.903 -3.219 -10.415 1.00 0.00 O ATOM 603 CB ARG A 45 -3.213 -4.624 -10.177 1.00 0.00 C ATOM 604 CG ARG A 45 -1.869 -3.977 -9.858 1.00 0.00 C ATOM 605 CD ARG A 45 -0.874 -4.067 -11.024 1.00 0.00 C ATOM 606 NE ARG A 45 -1.142 -3.068 -12.058 1.00 0.00 N ATOM 607 CZ ARG A 45 -0.202 -2.291 -12.592 1.00 0.00 C ATOM 608 NH1 ARG A 45 1.056 -2.400 -12.181 1.00 0.00 N ATOM 609 NH2 ARG A 45 -0.518 -1.411 -13.536 1.00 0.00 N ATOM 0 H ARG A 45 -4.800 -6.395 -9.627 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.806 -4.221 -8.131 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.060 -5.692 -10.335 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.587 -4.213 -11.115 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.027 -2.930 -9.601 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.438 -4.459 -8.980 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.139 -3.933 -10.646 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.921 -5.063 -11.463 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.101 -2.961 -12.388 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.300 -3.077 -11.458 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.779 -1.806 -12.588 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.484 -1.329 -13.854 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.205 -0.818 -13.943 1.00 0.00 H new ATOM 623 N ILE A 46 -5.157 -2.224 -8.519 1.00 0.00 N ATOM 624 CA ILE A 46 -5.986 -1.016 -8.632 1.00 0.00 C ATOM 625 C ILE A 46 -5.564 -0.188 -9.833 1.00 0.00 C ATOM 626 O ILE A 46 -6.257 -0.199 -10.848 1.00 0.00 O ATOM 627 CB ILE A 46 -5.888 -0.176 -7.325 1.00 0.00 C ATOM 628 CG1 ILE A 46 -6.254 -1.057 -6.123 1.00 0.00 C ATOM 629 CG2 ILE A 46 -6.788 1.069 -7.348 1.00 0.00 C ATOM 630 CD1 ILE A 46 -6.150 -0.374 -4.782 1.00 0.00 C ATOM 0 H ILE A 46 -4.548 -2.227 -7.701 1.00 0.00 H new ATOM 0 HA ILE A 46 -7.024 -1.317 -8.776 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.860 0.176 -7.242 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.274 -1.418 -6.253 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.604 -1.932 -6.121 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.678 1.615 -6.411 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.498 1.712 -8.179 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.827 0.764 -7.470 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.428 -1.074 -3.994 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.125 -0.037 -4.624 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.822 0.484 -4.758 1.00 0.00 H new ATOM 642 N GLU A 47 -4.463 0.553 -9.661 1.00 0.00 N ATOM 643 CA GLU A 47 -3.703 1.198 -10.749 1.00 0.00 C ATOM 644 C GLU A 47 -3.440 2.677 -10.479 1.00 0.00 C ATOM 645 O GLU A 47 -2.416 3.203 -10.909 1.00 0.00 O ATOM 646 CB GLU A 47 -4.348 1.104 -12.148 1.00 0.00 C ATOM 647 CG GLU A 47 -3.438 0.478 -13.170 1.00 0.00 C ATOM 648 CD GLU A 47 -4.068 0.405 -14.539 1.00 0.00 C ATOM 649 OE1 GLU A 47 -4.918 -0.481 -14.761 1.00 0.00 O ATOM 650 OE2 GLU A 47 -3.711 1.230 -15.405 1.00 0.00 O ATOM 0 H GLU A 47 -4.062 0.728 -8.739 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.776 0.624 -10.758 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.267 0.521 -12.081 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.628 2.103 -12.482 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.514 1.053 -13.229 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.168 -0.526 -12.844 1.00 0.00 H new ATOM 657 N LYS A 48 -4.350 3.363 -9.784 1.00 0.00 N ATOM 658 CA LYS A 48 -4.245 4.813 -9.620 1.00 0.00 C ATOM 659 C LYS A 48 -3.255 5.138 -8.502 1.00 0.00 C ATOM 660 O LYS A 48 -3.529 5.969 -7.636 1.00 0.00 O ATOM 661 CB LYS A 48 -5.623 5.422 -9.291 1.00 0.00 C ATOM 662 CG LYS A 48 -6.816 4.849 -10.085 1.00 0.00 C ATOM 663 CD LYS A 48 -6.616 4.897 -11.593 1.00 0.00 C ATOM 664 CE LYS A 48 -6.427 6.318 -12.107 1.00 0.00 C ATOM 665 NZ LYS A 48 -6.361 6.354 -13.591 1.00 0.00 N ATOM 0 H LYS A 48 -5.160 2.942 -9.330 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.888 5.244 -10.556 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.817 5.281 -8.228 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.576 6.497 -9.467 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.983 3.816 -9.781 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.716 5.407 -9.827 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.746 4.298 -11.861 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.478 4.446 -12.086 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.251 6.943 -11.763 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.512 6.738 -11.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.232 7.336 -13.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.560 5.776 -13.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.245 5.975 -13.987 1.00 0.00 H new ATOM 679 N VAL A 49 -2.085 4.517 -8.557 1.00 0.00 N ATOM 680 CA VAL A 49 -1.116 4.615 -7.481 1.00 0.00 C ATOM 681 C VAL A 49 0.191 5.176 -8.028 1.00 0.00 C ATOM 682 O VAL A 49 0.717 4.690 -9.035 1.00 0.00 O ATOM 683 CB VAL A 49 -0.896 3.242 -6.775 1.00 0.00 C ATOM 684 CG1 VAL A 49 0.529 2.733 -6.909 1.00 0.00 C ATOM 685 CG2 VAL A 49 -1.264 3.337 -5.309 1.00 0.00 C ATOM 0 H VAL A 49 -1.785 3.938 -9.341 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.504 5.294 -6.722 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.548 2.527 -7.277 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.623 1.775 -6.398 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.773 2.608 -7.964 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.216 3.451 -6.461 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.105 2.371 -4.831 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.640 4.089 -4.825 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.312 3.620 -5.215 1.00 0.00 H new ATOM 695 N GLU A 50 0.677 6.229 -7.389 1.00 0.00 N ATOM 696 CA GLU A 50 1.897 6.906 -7.832 1.00 0.00 C ATOM 697 C GLU A 50 2.586 7.602 -6.663 1.00 0.00 C ATOM 698 O GLU A 50 1.995 8.481 -6.038 1.00 0.00 O ATOM 699 CB GLU A 50 1.592 7.969 -8.910 1.00 0.00 C ATOM 700 CG GLU A 50 0.959 7.458 -10.204 1.00 0.00 C ATOM 701 CD GLU A 50 0.693 8.577 -11.185 1.00 0.00 C ATOM 702 OE1 GLU A 50 -0.490 8.851 -11.471 1.00 0.00 O ATOM 703 OE2 GLU A 50 1.667 9.194 -11.669 1.00 0.00 O ATOM 0 H GLU A 50 0.247 6.638 -6.559 1.00 0.00 H new ATOM 0 HA GLU A 50 2.549 6.138 -8.250 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.928 8.716 -8.476 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.522 8.478 -9.162 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.618 6.722 -10.664 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.024 6.948 -9.973 1.00 0.00 H new ATOM 921 N LEU A 64 8.689 5.189 3.137 1.00 0.00 N ATOM 922 CA LEU A 64 8.065 4.661 1.921 1.00 0.00 C ATOM 923 C LEU A 64 6.568 4.536 2.117 1.00 0.00 C ATOM 924 O LEU A 64 6.103 3.864 3.041 1.00 0.00 O ATOM 925 CB LEU A 64 8.594 3.251 1.627 1.00 0.00 C ATOM 926 CG LEU A 64 9.826 3.136 0.734 1.00 0.00 C ATOM 927 CD1 LEU A 64 10.383 1.719 0.813 1.00 0.00 C ATOM 928 CD2 LEU A 64 9.482 3.489 -0.711 1.00 0.00 C ATOM 0 HA LEU A 64 8.297 5.344 1.103 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.822 2.771 2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.789 2.678 1.166 1.00 0.00 H new ATOM 0 HG LEU A 64 10.581 3.840 1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.263 1.638 0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.660 1.494 1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.625 1.011 0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.375 3.400 -1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.716 2.807 -1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.109 4.512 -0.757 1.00 0.00 H new ATOM 940 N LEU A 65 5.827 5.186 1.243 1.00 0.00 N ATOM 941 CA LEU A 65 4.379 5.120 1.242 1.00 0.00 C ATOM 942 C LEU A 65 3.868 5.464 -0.153 1.00 0.00 C ATOM 943 O LEU A 65 4.516 6.204 -0.883 1.00 0.00 O ATOM 944 CB LEU A 65 3.847 6.116 2.283 1.00 0.00 C ATOM 945 CG LEU A 65 2.329 6.272 2.383 1.00 0.00 C ATOM 946 CD1 LEU A 65 1.685 4.955 2.770 1.00 0.00 C ATOM 947 CD2 LEU A 65 1.980 7.357 3.393 1.00 0.00 C ATOM 0 H LEU A 65 6.214 5.779 0.509 1.00 0.00 H new ATOM 0 HA LEU A 65 4.033 4.119 1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.222 5.816 3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.274 7.095 2.065 1.00 0.00 H new ATOM 0 HG LEU A 65 1.942 6.567 1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.605 5.084 2.837 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.915 4.202 2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.072 4.631 3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.897 7.460 3.457 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.377 7.085 4.371 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.417 8.304 3.075 1.00 0.00 H new ATOM 959 N TYR A 66 2.741 4.889 -0.535 1.00 0.00 N ATOM 960 CA TYR A 66 2.129 5.173 -1.829 1.00 0.00 C ATOM 961 C TYR A 66 0.661 5.530 -1.618 1.00 0.00 C ATOM 962 O TYR A 66 0.088 5.161 -0.592 1.00 0.00 O ATOM 963 CB TYR A 66 2.253 3.945 -2.751 1.00 0.00 C ATOM 964 CG TYR A 66 3.685 3.631 -3.170 1.00 0.00 C ATOM 965 CD1 TYR A 66 4.592 3.050 -2.286 1.00 0.00 C ATOM 966 CD2 TYR A 66 4.126 3.913 -4.458 1.00 0.00 C ATOM 967 CE1 TYR A 66 5.892 2.760 -2.680 1.00 0.00 C ATOM 968 CE2 TYR A 66 5.419 3.626 -4.854 1.00 0.00 C ATOM 969 CZ TYR A 66 6.295 3.050 -3.964 1.00 0.00 C ATOM 970 OH TYR A 66 7.579 2.761 -4.361 1.00 0.00 O ATOM 0 H TYR A 66 2.225 4.218 0.034 1.00 0.00 H new ATOM 0 HA TYR A 66 2.641 6.012 -2.301 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.835 3.077 -2.242 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.651 4.111 -3.645 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.279 2.821 -1.278 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.445 4.365 -5.163 1.00 0.00 H new ATOM 0 HE1 TYR A 66 6.583 2.309 -1.983 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.740 3.854 -5.860 1.00 0.00 H new ATOM 0 HH TYR A 66 7.700 3.027 -5.296 1.00 0.00 H new ATOM 980 N TYR A 67 0.040 6.232 -2.568 1.00 0.00 N ATOM 981 CA TYR A 67 -1.354 6.625 -2.391 1.00 0.00 C ATOM 982 C TYR A 67 -2.204 6.356 -3.641 1.00 0.00 C ATOM 983 O TYR A 67 -1.740 6.535 -4.767 1.00 0.00 O ATOM 984 CB TYR A 67 -1.496 8.095 -1.931 1.00 0.00 C ATOM 985 CG TYR A 67 -0.656 9.141 -2.664 1.00 0.00 C ATOM 986 CD1 TYR A 67 0.326 9.861 -1.980 1.00 0.00 C ATOM 987 CD2 TYR A 67 -0.860 9.444 -4.012 1.00 0.00 C ATOM 988 CE1 TYR A 67 1.076 10.840 -2.615 1.00 0.00 C ATOM 989 CE2 TYR A 67 -0.107 10.417 -4.650 1.00 0.00 C ATOM 990 CZ TYR A 67 0.854 11.111 -3.949 1.00 0.00 C ATOM 991 OH TYR A 67 1.595 12.083 -4.584 1.00 0.00 O ATOM 0 H TYR A 67 0.468 6.532 -3.444 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.742 5.992 -1.593 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.544 8.378 -2.024 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.246 8.143 -0.871 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.505 9.651 -0.936 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.618 8.911 -4.567 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.830 11.387 -2.068 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.274 10.631 -5.695 1.00 0.00 H new ATOM 0 HH TYR A 67 1.315 12.148 -5.521 1.00 0.00 H new ATOM 1001 N THR A 68 -3.443 5.902 -3.420 1.00 0.00 N ATOM 1002 CA THR A 68 -4.422 5.710 -4.494 1.00 0.00 C ATOM 1003 C THR A 68 -5.810 6.116 -3.997 1.00 0.00 C ATOM 1004 O THR A 68 -6.126 5.957 -2.814 1.00 0.00 O ATOM 1005 CB THR A 68 -4.480 4.242 -5.021 1.00 0.00 C ATOM 1006 OG1 THR A 68 -5.188 4.196 -6.268 1.00 0.00 O ATOM 1007 CG2 THR A 68 -5.182 3.299 -4.055 1.00 0.00 C ATOM 0 H THR A 68 -3.794 5.658 -2.494 1.00 0.00 H new ATOM 0 HA THR A 68 -4.102 6.338 -5.325 1.00 0.00 H new ATOM 0 HB THR A 68 -3.446 3.917 -5.137 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.219 3.272 -6.593 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.193 2.292 -4.473 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.651 3.291 -3.103 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.206 3.637 -3.896 1.00 0.00 H new ATOM 1015 N GLU A 69 -6.605 6.682 -4.898 1.00 0.00 N ATOM 1016 CA GLU A 69 -7.997 7.032 -4.615 1.00 0.00 C ATOM 1017 C GLU A 69 -8.801 5.775 -4.286 1.00 0.00 C ATOM 1018 O GLU A 69 -8.648 4.754 -4.964 1.00 0.00 O ATOM 1019 CB GLU A 69 -8.619 7.697 -5.849 1.00 0.00 C ATOM 1020 CG GLU A 69 -9.770 8.645 -5.531 1.00 0.00 C ATOM 1021 CD GLU A 69 -9.298 10.006 -5.061 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -9.352 10.280 -3.846 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -8.880 10.817 -5.918 1.00 0.00 O ATOM 0 H GLU A 69 -6.305 6.912 -5.845 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.018 7.714 -3.765 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.844 8.249 -6.381 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.978 6.921 -6.525 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.390 8.767 -6.419 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.400 8.199 -4.762 1.00 0.00 H new ATOM 1030 N PHE A 70 -9.650 5.825 -3.259 1.00 0.00 N ATOM 1031 CA PHE A 70 -10.492 4.676 -2.940 1.00 0.00 C ATOM 1032 C PHE A 70 -11.921 5.086 -2.621 1.00 0.00 C ATOM 1033 O PHE A 70 -12.187 6.243 -2.323 1.00 0.00 O ATOM 1034 CB PHE A 70 -9.892 3.876 -1.773 1.00 0.00 C ATOM 1035 CG PHE A 70 -10.043 4.459 -0.381 1.00 0.00 C ATOM 1036 CD1 PHE A 70 -8.929 4.643 0.415 1.00 0.00 C ATOM 1037 CD2 PHE A 70 -11.282 4.796 0.142 1.00 0.00 C ATOM 1038 CE1 PHE A 70 -9.048 5.151 1.699 1.00 0.00 C ATOM 1039 CE2 PHE A 70 -11.404 5.307 1.417 1.00 0.00 C ATOM 1040 CZ PHE A 70 -10.291 5.482 2.196 1.00 0.00 C ATOM 0 H PHE A 70 -9.771 6.631 -2.646 1.00 0.00 H new ATOM 0 HA PHE A 70 -10.524 4.043 -3.827 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -10.346 2.885 -1.775 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.828 3.740 -1.968 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.952 4.388 0.032 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -12.168 4.656 -0.460 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.168 5.288 2.310 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -12.378 5.570 1.802 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.387 5.878 3.196 1.00 0.00 H new ATOM 1050 N THR A 71 -12.833 4.131 -2.728 1.00 0.00 N ATOM 1051 CA THR A 71 -14.178 4.276 -2.191 1.00 0.00 C ATOM 1052 C THR A 71 -14.640 2.944 -1.577 1.00 0.00 C ATOM 1053 O THR A 71 -14.794 1.959 -2.301 1.00 0.00 O ATOM 1054 CB THR A 71 -15.144 4.723 -3.314 1.00 0.00 C ATOM 1055 OG1 THR A 71 -14.637 5.916 -3.927 1.00 0.00 O ATOM 1056 CG2 THR A 71 -16.542 4.988 -2.777 1.00 0.00 C ATOM 0 H THR A 71 -12.663 3.237 -3.188 1.00 0.00 H new ATOM 0 HA THR A 71 -14.177 5.036 -1.410 1.00 0.00 H new ATOM 0 HB THR A 71 -15.210 3.918 -4.045 1.00 0.00 H new ATOM 0 HG1 THR A 71 -15.246 6.201 -4.640 1.00 0.00 H new ATOM 0 HG21 THR A 71 -17.193 5.300 -3.594 1.00 0.00 H new ATOM 0 HG22 THR A 71 -16.937 4.078 -2.326 1.00 0.00 H new ATOM 0 HG23 THR A 71 -16.500 5.777 -2.026 1.00 0.00 H new ATOM 1064 N PRO A 72 -14.826 2.860 -0.235 1.00 0.00 N ATOM 1065 CA PRO A 72 -15.221 1.604 0.397 1.00 0.00 C ATOM 1066 C PRO A 72 -16.656 1.233 0.105 1.00 0.00 C ATOM 1067 O PRO A 72 -17.563 2.067 0.110 1.00 0.00 O ATOM 1068 CB PRO A 72 -15.030 1.822 1.902 1.00 0.00 C ATOM 1069 CG PRO A 72 -14.607 3.252 2.088 1.00 0.00 C ATOM 1070 CD PRO A 72 -14.669 3.951 0.751 1.00 0.00 C ATOM 0 HA PRO A 72 -14.618 0.782 0.010 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -15.955 1.620 2.441 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.276 1.142 2.298 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.260 3.749 2.805 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -13.596 3.298 2.492 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.506 4.648 0.707 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.763 4.528 0.563 1.00 0.00 H new ATOM 1078 N THR A 73 -16.820 -0.039 -0.157 1.00 0.00 N ATOM 1079 CA THR A 73 -18.101 -0.642 -0.424 1.00 0.00 C ATOM 1080 C THR A 73 -18.194 -1.902 0.424 1.00 0.00 C ATOM 1081 O THR A 73 -17.177 -2.372 0.937 1.00 0.00 O ATOM 1082 CB THR A 73 -18.216 -1.020 -1.916 1.00 0.00 C ATOM 1083 OG1 THR A 73 -17.220 -1.998 -2.222 1.00 0.00 O ATOM 1084 CG2 THR A 73 -18.027 0.195 -2.815 1.00 0.00 C ATOM 0 H THR A 73 -16.045 -0.701 -0.191 1.00 0.00 H new ATOM 0 HA THR A 73 -18.904 0.055 -0.185 1.00 0.00 H new ATOM 0 HB THR A 73 -19.214 -1.419 -2.097 1.00 0.00 H new ATOM 0 HG1 THR A 73 -17.033 -1.984 -3.184 1.00 0.00 H new ATOM 0 HG21 THR A 73 -18.114 -0.107 -3.859 1.00 0.00 H new ATOM 0 HG22 THR A 73 -18.791 0.938 -2.588 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.040 0.625 -2.643 1.00 0.00 H new ATOM 1092 N GLU A 74 -19.390 -2.437 0.599 1.00 0.00 N ATOM 1093 CA GLU A 74 -19.552 -3.720 1.270 1.00 0.00 C ATOM 1094 C GLU A 74 -18.948 -4.877 0.432 1.00 0.00 C ATOM 1095 O GLU A 74 -18.930 -6.028 0.865 1.00 0.00 O ATOM 1096 CB GLU A 74 -21.062 -3.936 1.578 1.00 0.00 C ATOM 1097 CG GLU A 74 -21.531 -5.391 1.672 1.00 0.00 C ATOM 1098 CD GLU A 74 -23.020 -5.534 1.445 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -23.452 -5.454 0.278 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -23.762 -5.746 2.426 1.00 0.00 O ATOM 0 H GLU A 74 -20.261 -2.007 0.288 1.00 0.00 H new ATOM 0 HA GLU A 74 -19.002 -3.715 2.211 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -21.294 -3.440 2.520 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -21.645 -3.438 0.803 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -20.995 -5.991 0.936 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -21.276 -5.789 2.654 1.00 0.00 H new ATOM 1107 N LYS A 75 -18.431 -4.573 -0.759 1.00 0.00 N ATOM 1108 CA LYS A 75 -17.940 -5.617 -1.651 1.00 0.00 C ATOM 1109 C LYS A 75 -16.417 -5.609 -1.840 1.00 0.00 C ATOM 1110 O LYS A 75 -15.802 -6.672 -1.910 1.00 0.00 O ATOM 1111 CB LYS A 75 -18.624 -5.502 -3.023 1.00 0.00 C ATOM 1112 CG LYS A 75 -20.148 -5.684 -3.028 1.00 0.00 C ATOM 1113 CD LYS A 75 -20.561 -7.151 -3.129 1.00 0.00 C ATOM 1114 CE LYS A 75 -20.608 -7.866 -1.783 1.00 0.00 C ATOM 1115 NZ LYS A 75 -21.642 -7.300 -0.887 1.00 0.00 N ATOM 0 H LYS A 75 -18.343 -3.624 -1.123 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.191 -6.563 -1.171 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -18.393 -4.523 -3.442 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -18.186 -6.245 -3.689 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -20.565 -5.254 -2.117 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -20.574 -5.131 -3.865 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -21.543 -7.212 -3.598 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -19.863 -7.672 -3.784 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -20.808 -8.926 -1.943 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -19.633 -7.795 -1.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -21.582 -7.758 0.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -21.487 -6.277 -0.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -22.584 -7.467 -1.295 1.00 0.00 H new ATOM 1129 N ASP A 76 -15.800 -4.438 -1.936 1.00 0.00 N ATOM 1130 CA ASP A 76 -14.407 -4.368 -2.337 1.00 0.00 C ATOM 1131 C ASP A 76 -13.463 -4.284 -1.124 1.00 0.00 C ATOM 1132 O ASP A 76 -13.618 -3.427 -0.254 1.00 0.00 O ATOM 1133 CB ASP A 76 -14.172 -3.160 -3.248 1.00 0.00 C ATOM 1134 CG ASP A 76 -15.048 -3.144 -4.490 1.00 0.00 C ATOM 1135 OD1 ASP A 76 -16.259 -2.858 -4.390 1.00 0.00 O ATOM 1136 OD2 ASP A 76 -14.511 -3.381 -5.589 1.00 0.00 O ATOM 0 H ASP A 76 -16.238 -3.537 -1.744 1.00 0.00 H new ATOM 0 HA ASP A 76 -14.184 -5.287 -2.879 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -14.350 -2.248 -2.678 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -13.126 -3.146 -3.553 1.00 0.00 H new ATOM 1141 N GLU A 77 -12.478 -5.175 -1.107 1.00 0.00 N ATOM 1142 CA GLU A 77 -11.449 -5.253 -0.060 1.00 0.00 C ATOM 1143 C GLU A 77 -10.187 -4.550 -0.568 1.00 0.00 C ATOM 1144 O GLU A 77 -9.922 -4.554 -1.770 1.00 0.00 O ATOM 1145 CB GLU A 77 -11.155 -6.736 0.226 1.00 0.00 C ATOM 1146 CG GLU A 77 -10.011 -7.008 1.186 1.00 0.00 C ATOM 1147 CD GLU A 77 -9.651 -8.475 1.218 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -8.802 -8.902 0.406 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -10.223 -9.217 2.043 1.00 0.00 O ATOM 0 H GLU A 77 -12.364 -5.882 -1.834 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.786 -4.770 0.857 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.058 -7.195 0.627 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.937 -7.233 -0.719 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.139 -6.425 0.889 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.289 -6.679 2.187 1.00 0.00 H new ATOM 1156 N TYR A 78 -9.413 -3.940 0.321 1.00 0.00 N ATOM 1157 CA TYR A 78 -8.195 -3.242 -0.095 1.00 0.00 C ATOM 1158 C TYR A 78 -6.958 -3.874 0.546 1.00 0.00 C ATOM 1159 O TYR A 78 -6.922 -4.105 1.757 1.00 0.00 O ATOM 1160 CB TYR A 78 -8.286 -1.745 0.248 1.00 0.00 C ATOM 1161 CG TYR A 78 -9.329 -0.998 -0.559 1.00 0.00 C ATOM 1162 CD1 TYR A 78 -8.963 -0.193 -1.631 1.00 0.00 C ATOM 1163 CD2 TYR A 78 -10.681 -1.106 -0.254 1.00 0.00 C ATOM 1164 CE1 TYR A 78 -9.914 0.483 -2.373 1.00 0.00 C ATOM 1165 CE2 TYR A 78 -11.638 -0.429 -0.995 1.00 0.00 C ATOM 1166 CZ TYR A 78 -11.248 0.362 -2.049 1.00 0.00 C ATOM 1167 OH TYR A 78 -12.196 1.023 -2.796 1.00 0.00 O ATOM 0 H TYR A 78 -9.600 -3.912 1.323 1.00 0.00 H new ATOM 0 HA TYR A 78 -8.099 -3.339 -1.176 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.514 -1.637 1.308 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.312 -1.284 0.083 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -7.919 -0.094 -1.889 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -10.991 -1.727 0.573 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.612 1.104 -3.204 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -12.684 -0.523 -0.745 1.00 0.00 H new ATOM 0 HH TYR A 78 -13.043 1.047 -2.303 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.956 -4.167 -0.283 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.738 -4.845 0.159 1.00 0.00 C ATOM 1179 C ALA A 79 -3.491 -4.170 -0.422 1.00 0.00 C ATOM 1180 O ALA A 79 -3.593 -3.393 -1.365 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.782 -6.301 -0.278 1.00 0.00 C ATOM 0 H ALA A 79 -5.966 -3.941 -1.278 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.684 -4.785 1.246 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.874 -6.807 0.051 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.650 -6.788 0.166 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.853 -6.353 -1.364 1.00 0.00 H new ATOM 1187 N CYS A 80 -2.320 -4.446 0.150 1.00 0.00 N ATOM 1188 CA CYS A 80 -1.066 -3.987 -0.443 1.00 0.00 C ATOM 1189 C CYS A 80 -0.088 -5.151 -0.612 1.00 0.00 C ATOM 1190 O CYS A 80 0.118 -5.937 0.313 1.00 0.00 O ATOM 1191 CB CYS A 80 -0.429 -2.879 0.392 1.00 0.00 C ATOM 1192 SG CYS A 80 1.226 -2.387 -0.183 1.00 0.00 S ATOM 0 H CYS A 80 -2.214 -4.979 1.013 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.298 -3.579 -1.427 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -1.082 -2.006 0.380 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.360 -3.211 1.428 1.00 0.00 H new ATOM 1197 N ARG A 81 0.481 -5.267 -1.810 1.00 0.00 N ATOM 1198 CA ARG A 81 1.400 -6.353 -2.160 1.00 0.00 C ATOM 1199 C ARG A 81 2.833 -5.829 -2.211 1.00 0.00 C ATOM 1200 O ARG A 81 3.097 -4.851 -2.903 1.00 0.00 O ATOM 1201 CB ARG A 81 1.013 -6.895 -3.542 1.00 0.00 C ATOM 1202 CG ARG A 81 1.533 -8.297 -3.875 1.00 0.00 C ATOM 1203 CD ARG A 81 0.778 -8.891 -5.079 1.00 0.00 C ATOM 1204 NE ARG A 81 0.981 -8.091 -6.294 1.00 0.00 N ATOM 1205 CZ ARG A 81 0.520 -8.431 -7.501 1.00 0.00 C ATOM 1206 NH1 ARG A 81 -0.177 -9.551 -7.658 1.00 0.00 N ATOM 1207 NH2 ARG A 81 0.772 -7.657 -8.555 1.00 0.00 N ATOM 0 H ARG A 81 0.318 -4.608 -2.571 1.00 0.00 H new ATOM 0 HA ARG A 81 1.336 -7.141 -1.410 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.074 -6.903 -3.617 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.380 -6.202 -4.299 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.599 -8.251 -4.096 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.415 -8.948 -3.009 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.117 -9.912 -5.254 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.287 -8.944 -4.851 1.00 0.00 H new ATOM 0 HE ARG A 81 1.507 -7.221 -6.211 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.361 -10.154 -6.856 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.528 -9.808 -8.581 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.318 -6.803 -8.442 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.419 -7.918 -9.476 1.00 0.00 H new ATOM 1221 N VAL A 82 3.757 -6.461 -1.490 1.00 0.00 N ATOM 1222 CA VAL A 82 5.157 -6.038 -1.559 1.00 0.00 C ATOM 1223 C VAL A 82 6.094 -7.221 -1.771 1.00 0.00 C ATOM 1224 O VAL A 82 5.887 -8.313 -1.233 1.00 0.00 O ATOM 1225 CB VAL A 82 5.617 -5.229 -0.313 1.00 0.00 C ATOM 1226 CG1 VAL A 82 5.986 -6.147 0.841 1.00 0.00 C ATOM 1227 CG2 VAL A 82 6.788 -4.322 -0.673 1.00 0.00 C ATOM 0 H VAL A 82 3.571 -7.247 -0.867 1.00 0.00 H new ATOM 0 HA VAL A 82 5.212 -5.375 -2.422 1.00 0.00 H new ATOM 0 HB VAL A 82 4.781 -4.610 0.012 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.303 -5.548 1.695 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.120 -6.747 1.120 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.800 -6.805 0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.099 -3.762 0.209 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.621 -4.928 -1.031 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.483 -3.627 -1.455 1.00 0.00 H new ATOM 1237 N ASN A 83 7.107 -6.981 -2.585 1.00 0.00 N ATOM 1238 CA ASN A 83 8.102 -7.990 -2.905 1.00 0.00 C ATOM 1239 C ASN A 83 9.500 -7.404 -2.854 1.00 0.00 C ATOM 1240 O ASN A 83 9.728 -6.261 -3.256 1.00 0.00 O ATOM 1241 CB ASN A 83 7.827 -8.585 -4.290 1.00 0.00 C ATOM 1242 CG ASN A 83 8.756 -9.737 -4.640 1.00 0.00 C ATOM 1243 OD1 ASN A 83 9.215 -10.477 -3.768 1.00 0.00 O ATOM 1244 ND2 ASN A 83 9.025 -9.905 -5.927 1.00 0.00 N ATOM 0 H ASN A 83 7.263 -6.083 -3.042 1.00 0.00 H new ATOM 0 HA ASN A 83 8.036 -8.783 -2.160 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.795 -8.933 -4.331 1.00 0.00 H new ATOM 0 HB3 ASN A 83 7.929 -7.802 -5.042 1.00 0.00 H new ATOM 0 HD21 ASN A 83 9.632 -10.669 -6.226 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.625 -9.271 -6.619 1.00 0.00 H new ATOM 1251 N HIS A 84 10.421 -8.198 -2.343 1.00 0.00 N ATOM 1252 CA HIS A 84 11.821 -7.830 -2.285 1.00 0.00 C ATOM 1253 C HIS A 84 12.651 -9.039 -2.700 1.00 0.00 C ATOM 1254 O HIS A 84 12.144 -10.163 -2.659 1.00 0.00 O ATOM 1255 CB HIS A 84 12.212 -7.373 -0.864 1.00 0.00 C ATOM 1256 CG HIS A 84 13.612 -6.843 -0.739 1.00 0.00 C ATOM 1257 ND1 HIS A 84 14.682 -7.684 -0.562 1.00 0.00 N ATOM 1258 CD2 HIS A 84 14.057 -5.566 -0.750 1.00 0.00 C ATOM 1259 CE1 HIS A 84 15.747 -6.905 -0.473 1.00 0.00 C ATOM 1260 NE2 HIS A 84 15.416 -5.613 -0.580 1.00 0.00 N ATOM 0 H HIS A 84 10.218 -9.119 -1.955 1.00 0.00 H new ATOM 0 HA HIS A 84 12.008 -6.996 -2.961 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.515 -6.600 -0.541 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.094 -8.214 -0.181 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.455 -4.677 -0.870 1.00 0.00 H new ATOM 0 HE1 HIS A 84 16.755 -7.266 -0.332 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.052 -4.817 -0.542 1.00 0.00 H new ATOM 1268 N VAL A 85 13.894 -8.817 -3.103 1.00 0.00 N ATOM 1269 CA VAL A 85 14.783 -9.912 -3.511 1.00 0.00 C ATOM 1270 C VAL A 85 14.782 -11.052 -2.484 1.00 0.00 C ATOM 1271 O VAL A 85 14.828 -12.227 -2.851 1.00 0.00 O ATOM 1272 CB VAL A 85 16.237 -9.420 -3.720 1.00 0.00 C ATOM 1273 CG1 VAL A 85 17.147 -10.559 -4.174 1.00 0.00 C ATOM 1274 CG2 VAL A 85 16.278 -8.277 -4.722 1.00 0.00 C ATOM 0 H VAL A 85 14.316 -7.890 -3.159 1.00 0.00 H new ATOM 0 HA VAL A 85 14.395 -10.286 -4.459 1.00 0.00 H new ATOM 0 HB VAL A 85 16.606 -9.056 -2.761 1.00 0.00 H new ATOM 0 HG11 VAL A 85 18.160 -10.182 -4.312 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.152 -11.344 -3.418 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.779 -10.965 -5.116 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.308 -7.946 -4.854 1.00 0.00 H new ATOM 0 HG22 VAL A 85 15.880 -8.617 -5.678 1.00 0.00 H new ATOM 0 HG23 VAL A 85 15.675 -7.447 -4.353 1.00 0.00 H new ATOM 1284 N THR A 86 14.689 -10.708 -1.202 1.00 0.00 N ATOM 1285 CA THR A 86 14.759 -11.718 -0.142 1.00 0.00 C ATOM 1286 C THR A 86 13.514 -12.614 -0.136 1.00 0.00 C ATOM 1287 O THR A 86 13.636 -13.836 -0.232 1.00 0.00 O ATOM 1288 CB THR A 86 14.974 -11.090 1.266 1.00 0.00 C ATOM 1289 OG1 THR A 86 14.872 -12.093 2.286 1.00 0.00 O ATOM 1290 CG2 THR A 86 13.967 -9.976 1.546 1.00 0.00 C ATOM 0 H THR A 86 14.566 -9.751 -0.872 1.00 0.00 H new ATOM 0 HA THR A 86 15.631 -12.333 -0.366 1.00 0.00 H new ATOM 0 HB THR A 86 15.975 -10.659 1.278 1.00 0.00 H new ATOM 0 HG1 THR A 86 15.011 -11.682 3.164 1.00 0.00 H new ATOM 0 HG21 THR A 86 14.149 -9.562 2.538 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.077 -9.190 0.799 1.00 0.00 H new ATOM 0 HG23 THR A 86 12.956 -10.380 1.501 1.00 0.00 H new ATOM 1298 N LEU A 87 12.325 -12.011 -0.028 1.00 0.00 N ATOM 1299 CA LEU A 87 11.077 -12.780 0.036 1.00 0.00 C ATOM 1300 C LEU A 87 10.978 -13.791 -1.092 1.00 0.00 C ATOM 1301 O LEU A 87 10.790 -14.977 -0.844 1.00 0.00 O ATOM 1302 CB LEU A 87 9.848 -11.870 -0.023 1.00 0.00 C ATOM 1303 CG LEU A 87 9.820 -10.727 0.987 1.00 0.00 C ATOM 1304 CD1 LEU A 87 8.706 -9.760 0.648 1.00 0.00 C ATOM 1305 CD2 LEU A 87 9.652 -11.263 2.403 1.00 0.00 C ATOM 0 H LEU A 87 12.200 -11.000 0.017 1.00 0.00 H new ATOM 0 HA LEU A 87 11.098 -13.304 0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.781 -11.446 -1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.958 -12.482 0.125 1.00 0.00 H new ATOM 0 HG LEU A 87 10.771 -10.196 0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.695 -8.948 1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.870 -9.352 -0.349 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.750 -10.283 0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.635 -10.431 3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 87 8.716 -11.818 2.473 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.485 -11.924 2.643 1.00 0.00 H new ATOM 1317 N SER A 88 11.107 -13.298 -2.330 1.00 0.00 N ATOM 1318 CA SER A 88 10.930 -14.107 -3.541 1.00 0.00 C ATOM 1319 C SER A 88 9.444 -14.365 -3.814 1.00 0.00 C ATOM 1320 O SER A 88 9.049 -14.598 -4.954 1.00 0.00 O ATOM 1321 CB SER A 88 11.700 -15.427 -3.452 1.00 0.00 C ATOM 1322 OG SER A 88 13.077 -15.198 -3.189 1.00 0.00 O ATOM 0 H SER A 88 11.338 -12.323 -2.520 1.00 0.00 H new ATOM 0 HA SER A 88 11.340 -13.539 -4.377 1.00 0.00 H new ATOM 0 HB2 SER A 88 11.274 -16.048 -2.664 1.00 0.00 H new ATOM 0 HB3 SER A 88 11.592 -15.979 -4.386 1.00 0.00 H new ATOM 0 HG SER A 88 13.178 -14.793 -2.302 1.00 0.00 H new ATOM 1328 N GLN A 89 8.635 -14.339 -2.761 1.00 0.00 N ATOM 1329 CA GLN A 89 7.187 -14.388 -2.902 1.00 0.00 C ATOM 1330 C GLN A 89 6.572 -13.185 -2.170 1.00 0.00 C ATOM 1331 O GLN A 89 6.740 -13.045 -0.957 1.00 0.00 O ATOM 1332 CB GLN A 89 6.598 -15.720 -2.370 1.00 0.00 C ATOM 1333 CG GLN A 89 6.719 -15.944 -0.860 1.00 0.00 C ATOM 1334 CD GLN A 89 8.110 -16.353 -0.408 1.00 0.00 C ATOM 1335 OE1 GLN A 89 8.532 -16.037 0.707 1.00 0.00 O ATOM 1336 NE2 GLN A 89 8.826 -17.068 -1.261 1.00 0.00 N ATOM 0 H GLN A 89 8.961 -14.284 -1.796 1.00 0.00 H new ATOM 0 HA GLN A 89 6.939 -14.339 -3.962 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.543 -15.764 -2.642 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.093 -16.545 -2.882 1.00 0.00 H new ATOM 0 HG2 GLN A 89 6.434 -15.028 -0.343 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.009 -16.714 -0.559 1.00 0.00 H new ATOM 0 HE21 GLN A 89 8.440 -17.309 -2.174 1.00 0.00 H new ATOM 0 HE22 GLN A 89 9.763 -17.378 -1.005 1.00 0.00 H new ATOM 1345 N PRO A 90 5.901 -12.262 -2.891 1.00 0.00 N ATOM 1346 CA PRO A 90 5.302 -11.083 -2.257 1.00 0.00 C ATOM 1347 C PRO A 90 4.146 -11.432 -1.329 1.00 0.00 C ATOM 1348 O PRO A 90 3.538 -12.497 -1.441 1.00 0.00 O ATOM 1349 CB PRO A 90 4.794 -10.236 -3.415 1.00 0.00 C ATOM 1350 CG PRO A 90 4.660 -11.178 -4.569 1.00 0.00 C ATOM 1351 CD PRO A 90 5.696 -12.274 -4.355 1.00 0.00 C ATOM 0 HA PRO A 90 6.035 -10.573 -1.632 1.00 0.00 H new ATOM 0 HB2 PRO A 90 3.837 -9.773 -3.173 1.00 0.00 H new ATOM 0 HB3 PRO A 90 5.489 -9.429 -3.646 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.655 -11.597 -4.613 1.00 0.00 H new ATOM 0 HG3 PRO A 90 4.831 -10.661 -5.513 1.00 0.00 H new ATOM 0 HD2 PRO A 90 5.336 -13.242 -4.704 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.621 -12.065 -4.893 1.00 0.00 H new ATOM 1359 N LYS A 91 3.851 -10.525 -0.413 1.00 0.00 N ATOM 1360 CA LYS A 91 2.769 -10.730 0.543 1.00 0.00 C ATOM 1361 C LYS A 91 1.638 -9.737 0.298 1.00 0.00 C ATOM 1362 O LYS A 91 1.855 -8.651 -0.240 1.00 0.00 O ATOM 1363 CB LYS A 91 3.269 -10.558 1.994 1.00 0.00 C ATOM 1364 CG LYS A 91 4.563 -11.309 2.357 1.00 0.00 C ATOM 1365 CD LYS A 91 5.046 -11.002 3.775 1.00 0.00 C ATOM 1366 CE LYS A 91 4.431 -11.955 4.797 1.00 0.00 C ATOM 1367 NZ LYS A 91 2.944 -11.958 4.765 1.00 0.00 N ATOM 0 H LYS A 91 4.344 -9.638 -0.309 1.00 0.00 H new ATOM 0 HA LYS A 91 2.404 -11.748 0.404 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.425 -9.495 2.180 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.480 -10.887 2.670 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.395 -12.382 2.259 1.00 0.00 H new ATOM 0 HG3 LYS A 91 5.345 -11.042 1.646 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.133 -11.078 3.814 1.00 0.00 H new ATOM 0 HD3 LYS A 91 4.788 -9.975 4.033 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.795 -12.965 4.609 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.767 -11.675 5.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.579 -12.413 5.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.596 -10.979 4.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.616 -12.484 3.930 1.00 0.00 H new ATOM 1381 N ILE A 92 0.440 -10.135 0.703 1.00 0.00 N ATOM 1382 CA ILE A 92 -0.718 -9.248 0.680 1.00 0.00 C ATOM 1383 C ILE A 92 -1.131 -8.874 2.097 1.00 0.00 C ATOM 1384 O ILE A 92 -1.239 -9.731 2.979 1.00 0.00 O ATOM 1385 CB ILE A 92 -1.937 -9.841 -0.103 1.00 0.00 C ATOM 1386 CG1 ILE A 92 -2.020 -9.238 -1.507 1.00 0.00 C ATOM 1387 CG2 ILE A 92 -3.255 -9.610 0.622 1.00 0.00 C ATOM 1388 CD1 ILE A 92 -1.679 -7.773 -1.550 1.00 0.00 C ATOM 0 H ILE A 92 0.243 -11.072 1.054 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.409 -8.353 0.141 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.772 -10.916 -0.172 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.344 -9.780 -2.168 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.028 -9.380 -1.896 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -4.071 -10.039 0.040 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.219 -10.086 1.602 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.420 -8.540 0.744 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.758 -7.411 -2.575 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.371 -7.220 -0.915 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.660 -7.626 -1.191 1.00 0.00 H new ATOM 1400 N VAL A 93 -1.338 -7.585 2.312 1.00 0.00 N ATOM 1401 CA VAL A 93 -1.854 -7.080 3.572 1.00 0.00 C ATOM 1402 C VAL A 93 -3.199 -6.417 3.326 1.00 0.00 C ATOM 1403 O VAL A 93 -3.297 -5.500 2.520 1.00 0.00 O ATOM 1404 CB VAL A 93 -0.889 -6.066 4.222 1.00 0.00 C ATOM 1405 CG1 VAL A 93 -0.576 -4.909 3.289 1.00 0.00 C ATOM 1406 CG2 VAL A 93 -1.455 -5.549 5.534 1.00 0.00 C ATOM 0 H VAL A 93 -1.153 -6.861 1.618 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.962 -7.920 4.258 1.00 0.00 H new ATOM 0 HB VAL A 93 0.045 -6.591 4.425 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.106 -4.217 3.783 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.111 -5.290 2.380 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.499 -4.388 3.033 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.759 -4.836 5.975 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.410 -5.057 5.350 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.603 -6.383 6.220 1.00 0.00 H new ATOM 1416 N LYS A 94 -4.237 -6.880 3.993 1.00 0.00 N ATOM 1417 CA LYS A 94 -5.564 -6.361 3.733 1.00 0.00 C ATOM 1418 C LYS A 94 -6.032 -5.491 4.891 1.00 0.00 C ATOM 1419 O LYS A 94 -5.670 -5.729 6.045 1.00 0.00 O ATOM 1420 CB LYS A 94 -6.537 -7.503 3.488 1.00 0.00 C ATOM 1421 CG LYS A 94 -6.042 -8.493 2.461 1.00 0.00 C ATOM 1422 CD LYS A 94 -6.730 -9.835 2.626 1.00 0.00 C ATOM 1423 CE LYS A 94 -6.309 -10.547 3.905 1.00 0.00 C ATOM 1424 NZ LYS A 94 -7.098 -11.785 4.124 1.00 0.00 N ATOM 0 H LYS A 94 -4.189 -7.605 4.709 1.00 0.00 H new ATOM 0 HA LYS A 94 -5.528 -5.742 2.837 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.720 -8.024 4.428 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.492 -7.094 3.159 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.227 -8.106 1.459 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.964 -8.618 2.561 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.810 -9.689 2.633 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.499 -10.467 1.768 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.249 -10.795 3.853 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.438 -9.877 4.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.786 -12.245 5.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.107 -11.545 4.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.955 -12.434 3.324 1.00 0.00 H new ATOM 1438 N TRP A 95 -6.826 -4.486 4.572 1.00 0.00 N ATOM 1439 CA TRP A 95 -7.276 -3.519 5.564 1.00 0.00 C ATOM 1440 C TRP A 95 -8.558 -4.004 6.257 1.00 0.00 C ATOM 1441 O TRP A 95 -9.519 -4.424 5.601 1.00 0.00 O ATOM 1442 CB TRP A 95 -7.481 -2.144 4.896 1.00 0.00 C ATOM 1443 CG TRP A 95 -7.918 -1.039 5.826 1.00 0.00 C ATOM 1444 CD1 TRP A 95 -7.334 -0.655 7.008 1.00 0.00 C ATOM 1445 CD2 TRP A 95 -9.029 -0.147 5.627 1.00 0.00 C ATOM 1446 NE1 TRP A 95 -8.021 0.391 7.559 1.00 0.00 N ATOM 1447 CE2 TRP A 95 -9.068 0.722 6.739 1.00 0.00 C ATOM 1448 CE3 TRP A 95 -10.001 -0.001 4.622 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 -10.031 1.712 6.880 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 -10.957 0.986 4.758 1.00 0.00 C ATOM 1451 CH2 TRP A 95 -10.974 1.831 5.880 1.00 0.00 C ATOM 0 H TRP A 95 -7.176 -4.315 3.629 1.00 0.00 H new ATOM 0 HA TRP A 95 -6.511 -3.417 6.334 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.548 -1.847 4.418 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.225 -2.248 4.106 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.457 -1.114 7.441 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -7.791 0.851 8.440 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -10.000 -0.650 3.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.042 2.365 7.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -11.705 1.110 3.989 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -11.740 2.588 5.961 1.00 0.00 H new ATOM 1462 N ASP A 96 -8.548 -3.943 7.586 1.00 0.00 N ATOM 1463 CA ASP A 96 -9.657 -4.423 8.421 1.00 0.00 C ATOM 1464 C ASP A 96 -10.915 -3.590 8.214 1.00 0.00 C ATOM 1465 O ASP A 96 -11.042 -2.497 8.768 1.00 0.00 O ATOM 1466 CB ASP A 96 -9.274 -4.385 9.901 1.00 0.00 C ATOM 1467 CG ASP A 96 -8.247 -5.431 10.260 1.00 0.00 C ATOM 1468 OD1 ASP A 96 -8.640 -6.589 10.517 1.00 0.00 O ATOM 1469 OD2 ASP A 96 -7.043 -5.100 10.302 1.00 0.00 O ATOM 0 H ASP A 96 -7.769 -3.558 8.121 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.862 -5.450 8.120 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.883 -3.398 10.146 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -10.167 -4.534 10.508 1.00 0.00 H new ATOM 1474 N ARG A 97 -11.845 -4.116 7.418 1.00 0.00 N ATOM 1475 CA ARG A 97 -13.135 -3.461 7.208 1.00 0.00 C ATOM 1476 C ARG A 97 -14.064 -4.363 6.405 1.00 0.00 C ATOM 1477 O ARG A 97 -15.269 -4.130 6.341 1.00 0.00 O ATOM 1478 CB ARG A 97 -12.933 -2.094 6.514 1.00 0.00 C ATOM 1479 CG ARG A 97 -12.791 -2.127 4.987 1.00 0.00 C ATOM 1480 CD ARG A 97 -14.160 -2.057 4.274 1.00 0.00 C ATOM 1481 NE ARG A 97 -15.174 -1.356 5.065 1.00 0.00 N ATOM 1482 CZ ARG A 97 -16.490 -1.515 4.896 1.00 0.00 C ATOM 1483 NH1 ARG A 97 -16.954 -2.359 3.980 1.00 0.00 N ATOM 1484 NH2 ARG A 97 -17.341 -0.848 5.665 1.00 0.00 N ATOM 0 H ARG A 97 -11.729 -4.992 6.909 1.00 0.00 H new ATOM 0 HA ARG A 97 -13.604 -3.280 8.175 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -13.778 -1.453 6.766 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -12.042 -1.626 6.931 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -12.171 -1.291 4.663 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -12.275 -3.040 4.691 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -14.040 -1.553 3.315 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -14.506 -3.068 4.061 1.00 0.00 H new ATOM 0 HE ARG A 97 -14.857 -0.709 5.787 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -16.304 -2.890 3.401 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -17.960 -2.475 3.857 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -16.990 -0.215 6.384 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -18.346 -0.968 5.537 1.00 0.00 H new ATOM 1498 N ASP A 98 -13.501 -5.421 5.839 1.00 0.00 N ATOM 1499 CA ASP A 98 -14.241 -6.285 4.921 1.00 0.00 C ATOM 1500 C ASP A 98 -13.435 -7.552 4.597 1.00 0.00 C ATOM 1501 O ASP A 98 -13.845 -8.371 3.778 1.00 0.00 O ATOM 1502 CB ASP A 98 -14.531 -5.528 3.634 1.00 0.00 C ATOM 1503 CG ASP A 98 -15.827 -5.963 2.980 1.00 0.00 C ATOM 1504 OD1 ASP A 98 -15.876 -7.066 2.397 1.00 0.00 O ATOM 1505 OD2 ASP A 98 -16.812 -5.198 3.064 1.00 0.00 O ATOM 0 H ASP A 98 -12.534 -5.705 5.997 1.00 0.00 H new ATOM 0 HA ASP A 98 -15.176 -6.579 5.398 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.577 -4.460 3.848 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.708 -5.678 2.935 1.00 0.00 H new ATOM 1510 N MET A 99 -12.278 -7.697 5.238 1.00 0.00 N ATOM 1511 CA MET A 99 -11.438 -8.888 5.054 1.00 0.00 C ATOM 1512 C MET A 99 -12.147 -10.140 5.563 1.00 0.00 C ATOM 1513 CB MET A 99 -10.049 -8.754 5.725 1.00 0.00 C ATOM 1514 CG MET A 99 -9.962 -7.774 6.915 1.00 0.00 C ATOM 1515 SD MET A 99 -11.218 -8.039 8.180 1.00 0.00 S ATOM 1516 CE MET A 99 -10.629 -9.572 8.900 1.00 0.00 C ATOM 0 H MET A 99 -11.897 -7.010 5.888 1.00 0.00 H new ATOM 0 HA MET A 99 -11.270 -8.981 3.981 1.00 0.00 H new ATOM 0 HB2 MET A 99 -9.737 -9.740 6.069 1.00 0.00 H new ATOM 0 HB3 MET A 99 -9.331 -8.439 4.968 1.00 0.00 H new ATOM 0 HG2 MET A 99 -8.977 -7.862 7.373 1.00 0.00 H new ATOM 0 HG3 MET A 99 -10.049 -6.755 6.539 1.00 0.00 H new ATOM 0 HE1 MET A 99 -11.278 -9.859 9.727 1.00 0.00 H new ATOM 0 HE2 MET A 99 -10.638 -10.356 8.143 1.00 0.00 H new ATOM 0 HE3 MET A 99 -9.612 -9.434 9.268 1.00 0.00 H new