USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 563 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 70 GLN : amide:sc= -2.58! C(o=-2.5!,f=-2.7!) USER MOD Set 1.2: A 74 THR OG1 : rot 85:sc= 0.0369 USER MOD Set 1.3: A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 CYS SG : rot 180:sc= 0.0742 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.258 X(o=0.26,f=-0.0087) USER MOD Single : A 48 ASN : amide:sc= -1.82! C(o=-1.8!,f=-5.9!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot -67:sc= 0.853 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -139:sc= -0.462 (180deg=-1.9) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.497 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 46 N GLU A 4 8.735 8.479 -18.391 1.00 1.00 N ATOM 47 CA GLU A 4 7.537 8.735 -17.598 1.00 1.00 C ATOM 48 C GLU A 4 6.300 8.197 -18.310 1.00 1.00 C ATOM 49 O GLU A 4 5.434 7.579 -17.690 1.00 1.00 O ATOM 50 CB GLU A 4 7.380 10.238 -17.362 1.00 1.00 C ATOM 51 CG GLU A 4 8.167 10.645 -16.115 1.00 1.00 C ATOM 52 CD GLU A 4 8.198 12.164 -15.992 1.00 1.00 C ATOM 53 OE1 GLU A 4 8.570 12.809 -16.958 1.00 1.00 O ATOM 54 OE2 GLU A 4 7.850 12.661 -14.934 1.00 1.00 O ATOM 0 HA GLU A 4 7.641 8.226 -16.640 1.00 1.00 H new ATOM 0 HB2 GLU A 4 7.740 10.792 -18.229 1.00 1.00 H new ATOM 0 HB3 GLU A 4 6.327 10.489 -17.238 1.00 1.00 H new ATOM 0 HG2 GLU A 4 7.709 10.209 -15.227 1.00 1.00 H new ATOM 0 HG3 GLU A 4 9.183 10.256 -16.173 1.00 1.00 H new ATOM 61 N LEU A 5 6.224 8.439 -19.614 1.00 1.00 N ATOM 62 CA LEU A 5 5.087 7.978 -20.404 1.00 1.00 C ATOM 63 C LEU A 5 5.113 6.458 -20.550 1.00 1.00 C ATOM 64 O LEU A 5 4.078 5.829 -20.767 1.00 1.00 O ATOM 65 CB LEU A 5 5.118 8.624 -21.791 1.00 1.00 C ATOM 66 CG LEU A 5 4.569 10.049 -21.700 1.00 1.00 C ATOM 67 CD1 LEU A 5 5.334 10.953 -22.669 1.00 1.00 C ATOM 68 CD2 LEU A 5 3.085 10.047 -22.072 1.00 1.00 C ATOM 0 H LEU A 5 6.931 8.948 -20.144 1.00 1.00 H new ATOM 0 HA LEU A 5 4.171 8.266 -19.888 1.00 1.00 H new ATOM 0 HB2 LEU A 5 6.138 8.639 -22.174 1.00 1.00 H new ATOM 0 HB3 LEU A 5 4.523 8.037 -22.491 1.00 1.00 H new ATOM 0 HG LEU A 5 4.690 10.421 -20.683 1.00 1.00 H new ATOM 0 HD11 LEU A 5 4.943 11.969 -22.605 1.00 1.00 H new ATOM 0 HD12 LEU A 5 6.392 10.954 -22.407 1.00 1.00 H new ATOM 0 HD13 LEU A 5 5.212 10.581 -23.686 1.00 1.00 H new ATOM 0 HD21 LEU A 5 2.692 11.062 -22.008 1.00 1.00 H new ATOM 0 HD22 LEU A 5 2.966 9.676 -23.090 1.00 1.00 H new ATOM 0 HD23 LEU A 5 2.538 9.402 -21.384 1.00 1.00 H new ATOM 80 N GLN A 6 6.303 5.878 -20.432 1.00 1.00 N ATOM 81 CA GLN A 6 6.449 4.432 -20.556 1.00 1.00 C ATOM 82 C GLN A 6 5.678 3.714 -19.453 1.00 1.00 C ATOM 83 O GLN A 6 4.856 2.840 -19.729 1.00 1.00 O ATOM 84 CB GLN A 6 7.930 4.049 -20.477 1.00 1.00 C ATOM 85 CG GLN A 6 8.071 2.531 -20.604 1.00 1.00 C ATOM 86 CD GLN A 6 9.466 2.177 -21.107 1.00 1.00 C ATOM 87 OE1 GLN A 6 9.633 1.816 -22.271 1.00 1.00 O ATOM 88 NE2 GLN A 6 10.484 2.261 -20.294 1.00 1.00 N ATOM 0 H GLN A 6 7.172 6.381 -20.253 1.00 1.00 H new ATOM 0 HA GLN A 6 6.043 4.128 -21.521 1.00 1.00 H new ATOM 0 HB2 GLN A 6 8.488 4.545 -21.272 1.00 1.00 H new ATOM 0 HB3 GLN A 6 8.354 4.387 -19.531 1.00 1.00 H new ATOM 0 HG2 GLN A 6 7.893 2.059 -19.638 1.00 1.00 H new ATOM 0 HG3 GLN A 6 7.319 2.144 -21.291 1.00 1.00 H new ATOM 0 HE21 GLN A 6 10.343 2.561 -19.329 1.00 1.00 H new ATOM 0 HE22 GLN A 6 11.421 2.027 -20.624 1.00 1.00 H new ATOM 97 N CYS A 7 5.949 4.086 -18.206 1.00 1.00 N ATOM 98 CA CYS A 7 5.273 3.465 -17.072 1.00 1.00 C ATOM 99 C CYS A 7 3.765 3.694 -17.153 1.00 1.00 C ATOM 100 O CYS A 7 2.977 2.851 -16.725 1.00 1.00 O ATOM 101 CB CYS A 7 5.807 4.046 -15.761 1.00 1.00 C ATOM 102 SG CYS A 7 7.617 4.043 -15.790 1.00 1.00 S ATOM 0 H CYS A 7 6.625 4.807 -17.956 1.00 1.00 H new ATOM 0 HA CYS A 7 5.469 2.393 -17.102 1.00 1.00 H new ATOM 0 HB2 CYS A 7 5.437 5.062 -15.624 1.00 1.00 H new ATOM 0 HB3 CYS A 7 5.446 3.459 -14.917 1.00 1.00 H new ATOM 0 HG CYS A 7 8.070 4.539 -14.677 1.00 1.00 H new ATOM 107 N ILE A 8 3.374 4.840 -17.700 1.00 1.00 N ATOM 108 CA ILE A 8 1.959 5.169 -17.829 1.00 1.00 C ATOM 109 C ILE A 8 1.262 4.201 -18.778 1.00 1.00 C ATOM 110 O ILE A 8 0.092 3.869 -18.591 1.00 1.00 O ATOM 111 CB ILE A 8 1.799 6.597 -18.348 1.00 1.00 C ATOM 112 CG1 ILE A 8 1.985 7.585 -17.193 1.00 1.00 C ATOM 113 CG2 ILE A 8 0.402 6.770 -18.946 1.00 1.00 C ATOM 114 CD1 ILE A 8 2.136 9.001 -17.751 1.00 1.00 C ATOM 0 H ILE A 8 4.011 5.551 -18.059 1.00 1.00 H new ATOM 0 HA ILE A 8 1.499 5.086 -16.844 1.00 1.00 H new ATOM 0 HB ILE A 8 2.549 6.789 -19.115 1.00 1.00 H new ATOM 0 HG12 ILE A 8 1.130 7.538 -16.519 1.00 1.00 H new ATOM 0 HG13 ILE A 8 2.866 7.317 -16.610 1.00 1.00 H new ATOM 0 HG21 ILE A 8 0.288 7.789 -19.316 1.00 1.00 H new ATOM 0 HG22 ILE A 8 0.269 6.068 -19.769 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -0.348 6.577 -18.179 1.00 1.00 H new ATOM 0 HD11 ILE A 8 2.268 9.704 -16.929 1.00 1.00 H new ATOM 0 HD12 ILE A 8 3.005 9.043 -18.407 1.00 1.00 H new ATOM 0 HD13 ILE A 8 1.242 9.267 -18.315 1.00 1.00 H new ATOM 126 N ARG A 9 1.987 3.752 -19.797 1.00 1.00 N ATOM 127 CA ARG A 9 1.424 2.823 -20.770 1.00 1.00 C ATOM 128 C ARG A 9 1.238 1.442 -20.149 1.00 1.00 C ATOM 129 O ARG A 9 0.305 0.717 -20.496 1.00 1.00 O ATOM 130 CB ARG A 9 2.348 2.718 -21.985 1.00 1.00 C ATOM 131 CG ARG A 9 1.766 1.718 -22.987 1.00 1.00 C ATOM 132 CD ARG A 9 2.463 1.888 -24.338 1.00 1.00 C ATOM 133 NE ARG A 9 3.888 2.130 -24.143 1.00 1.00 N ATOM 134 CZ ARG A 9 4.745 1.125 -24.003 1.00 1.00 C ATOM 135 NH1 ARG A 9 4.317 -0.108 -24.043 1.00 1.00 N ATOM 136 NH2 ARG A 9 6.015 1.369 -23.827 1.00 1.00 N ATOM 0 H ARG A 9 2.958 4.014 -19.970 1.00 1.00 H new ATOM 0 HA ARG A 9 0.451 3.201 -21.084 1.00 1.00 H new ATOM 0 HB2 ARG A 9 2.461 3.695 -22.455 1.00 1.00 H new ATOM 0 HB3 ARG A 9 3.342 2.398 -21.672 1.00 1.00 H new ATOM 0 HG2 ARG A 9 1.901 0.700 -22.621 1.00 1.00 H new ATOM 0 HG3 ARG A 9 0.693 1.878 -23.096 1.00 1.00 H new ATOM 0 HD2 ARG A 9 2.318 0.994 -24.945 1.00 1.00 H new ATOM 0 HD3 ARG A 9 2.017 2.720 -24.883 1.00 1.00 H new ATOM 0 HE ARG A 9 4.233 3.089 -24.114 1.00 1.00 H new ATOM 0 HH11 ARG A 9 3.325 -0.299 -24.182 1.00 1.00 H new ATOM 0 HH12 ARG A 9 4.975 -0.880 -23.936 1.00 1.00 H new ATOM 0 HH21 ARG A 9 6.350 2.332 -23.797 1.00 1.00 H new ATOM 0 HH22 ARG A 9 6.673 0.597 -23.720 1.00 1.00 H new ATOM 150 N GLU A 10 2.126 1.088 -19.227 1.00 1.00 N ATOM 151 CA GLU A 10 2.044 -0.206 -18.561 1.00 1.00 C ATOM 152 C GLU A 10 0.870 -0.231 -17.588 1.00 1.00 C ATOM 153 O GLU A 10 0.095 -1.186 -17.557 1.00 1.00 O ATOM 154 CB GLU A 10 3.343 -0.488 -17.803 1.00 1.00 C ATOM 155 CG GLU A 10 4.529 -0.381 -18.767 1.00 1.00 C ATOM 156 CD GLU A 10 5.699 -1.212 -18.249 1.00 1.00 C ATOM 157 OE1 GLU A 10 5.644 -1.631 -17.105 1.00 1.00 O ATOM 158 OE2 GLU A 10 6.634 -1.416 -19.006 1.00 1.00 O ATOM 0 H GLU A 10 2.905 1.674 -18.926 1.00 1.00 H new ATOM 0 HA GLU A 10 1.892 -0.975 -19.318 1.00 1.00 H new ATOM 0 HB2 GLU A 10 3.461 0.222 -16.984 1.00 1.00 H new ATOM 0 HB3 GLU A 10 3.309 -1.483 -17.360 1.00 1.00 H new ATOM 0 HG2 GLU A 10 4.236 -0.729 -19.758 1.00 1.00 H new ATOM 0 HG3 GLU A 10 4.831 0.661 -18.871 1.00 1.00 H new ATOM 165 N CYS A 11 0.750 0.827 -16.794 1.00 1.00 N ATOM 166 CA CYS A 11 -0.332 0.921 -15.819 1.00 1.00 C ATOM 167 C CYS A 11 -1.679 0.679 -16.490 1.00 1.00 C ATOM 168 O CYS A 11 -2.540 -0.012 -15.943 1.00 1.00 O ATOM 169 CB CYS A 11 -0.327 2.303 -15.163 1.00 1.00 C ATOM 170 SG CYS A 11 0.828 2.312 -13.768 1.00 1.00 S ATOM 0 H CYS A 11 1.383 1.627 -16.805 1.00 1.00 H new ATOM 0 HA CYS A 11 -0.176 0.158 -15.057 1.00 1.00 H new ATOM 0 HB2 CYS A 11 -0.039 3.061 -15.891 1.00 1.00 H new ATOM 0 HB3 CYS A 11 -1.330 2.557 -14.819 1.00 1.00 H new ATOM 0 HG CYS A 11 0.831 3.488 -13.215 1.00 1.00 H new ATOM 175 N ARG A 12 -1.857 1.250 -17.675 1.00 1.00 N ATOM 176 CA ARG A 12 -3.106 1.090 -18.410 1.00 1.00 C ATOM 177 C ARG A 12 -3.240 -0.335 -18.938 1.00 1.00 C ATOM 178 O ARG A 12 -4.325 -0.917 -18.911 1.00 1.00 O ATOM 179 CB ARG A 12 -3.154 2.078 -19.580 1.00 1.00 C ATOM 180 CG ARG A 12 -4.216 3.147 -19.308 1.00 1.00 C ATOM 181 CD ARG A 12 -5.609 2.511 -19.325 1.00 1.00 C ATOM 182 NE ARG A 12 -6.432 3.124 -20.360 1.00 1.00 N ATOM 183 CZ ARG A 12 -6.387 2.698 -21.618 1.00 1.00 C ATOM 184 NH1 ARG A 12 -5.592 1.717 -21.946 1.00 1.00 N ATOM 185 NH2 ARG A 12 -7.137 3.261 -22.525 1.00 1.00 N ATOM 0 H ARG A 12 -1.158 1.824 -18.145 1.00 1.00 H new ATOM 0 HA ARG A 12 -3.934 1.291 -17.730 1.00 1.00 H new ATOM 0 HB2 ARG A 12 -2.179 2.546 -19.714 1.00 1.00 H new ATOM 0 HB3 ARG A 12 -3.384 1.550 -20.505 1.00 1.00 H new ATOM 0 HG2 ARG A 12 -4.033 3.617 -18.342 1.00 1.00 H new ATOM 0 HG3 ARG A 12 -4.156 3.933 -20.061 1.00 1.00 H new ATOM 0 HD2 ARG A 12 -5.525 1.439 -19.505 1.00 1.00 H new ATOM 0 HD3 ARG A 12 -6.085 2.634 -18.352 1.00 1.00 H new ATOM 0 HE ARG A 12 -7.054 3.894 -20.114 1.00 1.00 H new ATOM 0 HH11 ARG A 12 -5.005 1.277 -21.237 1.00 1.00 H new ATOM 0 HH12 ARG A 12 -5.557 1.390 -22.911 1.00 1.00 H new ATOM 0 HH21 ARG A 12 -7.758 4.028 -22.269 1.00 1.00 H new ATOM 0 HH22 ARG A 12 -7.102 2.934 -23.490 1.00 1.00 H new ATOM 199 N LEU A 13 -2.131 -0.892 -19.415 1.00 1.00 N ATOM 200 CA LEU A 13 -2.139 -2.250 -19.945 1.00 1.00 C ATOM 201 C LEU A 13 -2.467 -3.249 -18.840 1.00 1.00 C ATOM 202 O LEU A 13 -3.230 -4.193 -19.047 1.00 1.00 O ATOM 203 CB LEU A 13 -0.770 -2.581 -20.552 1.00 1.00 C ATOM 204 CG LEU A 13 -0.818 -3.946 -21.252 1.00 1.00 C ATOM 205 CD1 LEU A 13 -1.781 -3.898 -22.443 1.00 1.00 C ATOM 206 CD2 LEU A 13 0.583 -4.306 -21.752 1.00 1.00 C ATOM 0 H LEU A 13 -1.223 -0.428 -19.445 1.00 1.00 H new ATOM 0 HA LEU A 13 -2.903 -2.318 -20.719 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -0.484 -1.808 -21.265 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -0.010 -2.591 -19.771 1.00 1.00 H new ATOM 0 HG LEU A 13 -1.166 -4.697 -20.543 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -1.806 -4.873 -22.931 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -2.781 -3.642 -22.092 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -1.442 -3.145 -23.154 1.00 1.00 H new ATOM 0 HD21 LEU A 13 0.554 -5.275 -22.250 1.00 1.00 H new ATOM 0 HD22 LEU A 13 0.925 -3.547 -22.455 1.00 1.00 H new ATOM 0 HD23 LEU A 13 1.270 -4.353 -20.907 1.00 1.00 H new ATOM 218 N ALA A 14 -1.886 -3.033 -17.664 1.00 1.00 N ATOM 219 CA ALA A 14 -2.122 -3.919 -16.530 1.00 1.00 C ATOM 220 C ALA A 14 -3.559 -3.784 -16.036 1.00 1.00 C ATOM 221 O ALA A 14 -4.121 -4.719 -15.465 1.00 1.00 O ATOM 222 CB ALA A 14 -1.155 -3.583 -15.394 1.00 1.00 C ATOM 0 H ALA A 14 -1.252 -2.257 -17.472 1.00 1.00 H new ATOM 0 HA ALA A 14 -1.956 -4.946 -16.854 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -1.338 -4.249 -14.551 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -0.129 -3.709 -15.740 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -1.307 -2.550 -15.080 1.00 1.00 H new ATOM 228 N GLN A 15 -4.148 -2.613 -16.260 1.00 1.00 N ATOM 229 CA GLN A 15 -5.520 -2.364 -15.834 1.00 1.00 C ATOM 230 C GLN A 15 -6.507 -3.001 -16.807 1.00 1.00 C ATOM 231 O GLN A 15 -7.551 -3.512 -16.403 1.00 1.00 O ATOM 232 CB GLN A 15 -5.779 -0.859 -15.753 1.00 1.00 C ATOM 233 CG GLN A 15 -5.269 -0.324 -14.413 1.00 1.00 C ATOM 234 CD GLN A 15 -5.276 1.201 -14.425 1.00 1.00 C ATOM 235 OE1 GLN A 15 -6.311 1.820 -14.174 1.00 1.00 O ATOM 236 NE2 GLN A 15 -4.178 1.847 -14.704 1.00 1.00 N ATOM 0 H GLN A 15 -3.700 -1.827 -16.731 1.00 1.00 H new ATOM 0 HA GLN A 15 -5.660 -2.809 -14.849 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -5.277 -0.348 -16.575 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -6.845 -0.657 -15.855 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -5.897 -0.693 -13.602 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -4.259 -0.690 -14.226 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -3.322 1.332 -14.911 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -4.175 2.867 -14.715 1.00 1.00 H new ATOM 598 N ALA A 45 6.314 -10.079 -5.746 1.00 1.00 N ATOM 599 CA ALA A 45 7.744 -10.311 -5.912 1.00 1.00 C ATOM 600 C ALA A 45 8.551 -9.186 -5.268 1.00 1.00 C ATOM 601 O ALA A 45 9.656 -9.408 -4.773 1.00 1.00 O ATOM 602 CB ALA A 45 8.090 -10.398 -7.400 1.00 1.00 C ATOM 0 HA ALA A 45 7.997 -11.251 -5.422 1.00 1.00 H new ATOM 0 HB1 ALA A 45 9.160 -10.571 -7.515 1.00 1.00 H new ATOM 0 HB2 ALA A 45 7.538 -11.221 -7.854 1.00 1.00 H new ATOM 0 HB3 ALA A 45 7.819 -9.464 -7.892 1.00 1.00 H new ATOM 608 N ILE A 46 7.989 -7.980 -5.278 1.00 1.00 N ATOM 609 CA ILE A 46 8.666 -6.826 -4.692 1.00 1.00 C ATOM 610 C ILE A 46 8.029 -6.450 -3.357 1.00 1.00 C ATOM 611 O ILE A 46 8.677 -5.854 -2.496 1.00 1.00 O ATOM 612 CB ILE A 46 8.585 -5.634 -5.651 1.00 1.00 C ATOM 613 CG1 ILE A 46 7.130 -5.415 -6.071 1.00 1.00 C ATOM 614 CG2 ILE A 46 9.432 -5.912 -6.896 1.00 1.00 C ATOM 615 CD1 ILE A 46 7.003 -4.071 -6.791 1.00 1.00 C ATOM 0 H ILE A 46 7.075 -7.777 -5.682 1.00 1.00 H new ATOM 0 HA ILE A 46 9.710 -7.088 -4.522 1.00 1.00 H new ATOM 0 HB ILE A 46 8.961 -4.743 -5.148 1.00 1.00 H new ATOM 0 HG12 ILE A 46 6.804 -6.223 -6.726 1.00 1.00 H new ATOM 0 HG13 ILE A 46 6.481 -5.433 -5.195 1.00 1.00 H new ATOM 0 HG21 ILE A 46 9.371 -5.061 -7.575 1.00 1.00 H new ATOM 0 HG22 ILE A 46 10.470 -6.068 -6.602 1.00 1.00 H new ATOM 0 HG23 ILE A 46 9.059 -6.804 -7.398 1.00 1.00 H new ATOM 0 HD11 ILE A 46 5.967 -3.915 -7.090 1.00 1.00 H new ATOM 0 HD12 ILE A 46 7.312 -3.269 -6.121 1.00 1.00 H new ATOM 0 HD13 ILE A 46 7.640 -4.070 -7.676 1.00 1.00 H new ATOM 627 N ALA A 47 6.759 -6.804 -3.191 1.00 1.00 N ATOM 628 CA ALA A 47 6.044 -6.499 -1.956 1.00 1.00 C ATOM 629 C ALA A 47 6.653 -7.253 -0.778 1.00 1.00 C ATOM 630 O ALA A 47 6.499 -6.851 0.375 1.00 1.00 O ATOM 631 CB ALA A 47 4.569 -6.877 -2.100 1.00 1.00 C ATOM 0 H ALA A 47 6.206 -7.299 -3.891 1.00 1.00 H new ATOM 0 HA ALA A 47 6.129 -5.429 -1.767 1.00 1.00 H new ATOM 0 HB1 ALA A 47 4.042 -6.646 -1.174 1.00 1.00 H new ATOM 0 HB2 ALA A 47 4.127 -6.311 -2.920 1.00 1.00 H new ATOM 0 HB3 ALA A 47 4.485 -7.944 -2.309 1.00 1.00 H new ATOM 637 N ASN A 48 7.343 -8.350 -1.075 1.00 1.00 N ATOM 638 CA ASN A 48 7.970 -9.153 -0.031 1.00 1.00 C ATOM 639 C ASN A 48 9.323 -8.567 0.349 1.00 1.00 C ATOM 640 O ASN A 48 9.933 -8.969 1.340 1.00 1.00 O ATOM 641 CB ASN A 48 8.152 -10.592 -0.517 1.00 1.00 C ATOM 642 CG ASN A 48 9.203 -10.639 -1.622 1.00 1.00 C ATOM 643 OD1 ASN A 48 9.263 -9.742 -2.462 1.00 1.00 O ATOM 644 ND2 ASN A 48 10.040 -11.640 -1.671 1.00 1.00 N ATOM 0 H ASN A 48 7.482 -8.701 -2.023 1.00 1.00 H new ATOM 0 HA ASN A 48 7.323 -9.147 0.846 1.00 1.00 H new ATOM 0 HB2 ASN A 48 8.456 -11.230 0.313 1.00 1.00 H new ATOM 0 HB3 ASN A 48 7.204 -10.982 -0.888 1.00 1.00 H new ATOM 0 HD21 ASN A 48 10.745 -11.679 -2.407 1.00 1.00 H new ATOM 0 HD22 ASN A 48 9.988 -12.383 -0.974 1.00 1.00 H new ATOM 651 N PHE A 49 9.787 -7.615 -0.450 1.00 1.00 N ATOM 652 CA PHE A 49 11.072 -6.975 -0.200 1.00 1.00 C ATOM 653 C PHE A 49 10.910 -5.800 0.759 1.00 1.00 C ATOM 654 O PHE A 49 11.870 -5.088 1.054 1.00 1.00 O ATOM 655 CB PHE A 49 11.671 -6.494 -1.523 1.00 1.00 C ATOM 656 CG PHE A 49 12.861 -7.354 -1.884 1.00 1.00 C ATOM 657 CD1 PHE A 49 12.736 -8.748 -1.899 1.00 1.00 C ATOM 658 CD2 PHE A 49 14.087 -6.757 -2.200 1.00 1.00 C ATOM 659 CE1 PHE A 49 13.837 -9.546 -2.232 1.00 1.00 C ATOM 660 CE2 PHE A 49 15.188 -7.555 -2.533 1.00 1.00 C ATOM 661 CZ PHE A 49 15.063 -8.950 -2.547 1.00 1.00 C ATOM 0 H PHE A 49 9.295 -7.270 -1.274 1.00 1.00 H new ATOM 0 HA PHE A 49 11.743 -7.701 0.259 1.00 1.00 H new ATOM 0 HB2 PHE A 49 10.921 -6.543 -2.313 1.00 1.00 H new ATOM 0 HB3 PHE A 49 11.976 -5.451 -1.438 1.00 1.00 H new ATOM 0 HD1 PHE A 49 11.790 -9.208 -1.654 1.00 1.00 H new ATOM 0 HD2 PHE A 49 14.184 -5.681 -2.187 1.00 1.00 H new ATOM 0 HE1 PHE A 49 13.740 -10.622 -2.246 1.00 1.00 H new ATOM 0 HE2 PHE A 49 16.134 -7.095 -2.779 1.00 1.00 H new ATOM 0 HZ PHE A 49 15.913 -9.566 -2.801 1.00 1.00 H new ATOM 671 N LEU A 50 9.686 -5.608 1.242 1.00 1.00 N ATOM 672 CA LEU A 50 9.392 -4.521 2.174 1.00 1.00 C ATOM 673 C LEU A 50 8.771 -5.074 3.456 1.00 1.00 C ATOM 674 O LEU A 50 7.636 -5.553 3.453 1.00 1.00 O ATOM 675 CB LEU A 50 8.427 -3.522 1.523 1.00 1.00 C ATOM 676 CG LEU A 50 9.178 -2.599 0.550 1.00 1.00 C ATOM 677 CD1 LEU A 50 8.489 -2.631 -0.816 1.00 1.00 C ATOM 678 CD2 LEU A 50 9.159 -1.167 1.089 1.00 1.00 C ATOM 0 H LEU A 50 8.882 -6.189 1.005 1.00 1.00 H new ATOM 0 HA LEU A 50 10.324 -4.014 2.423 1.00 1.00 H new ATOM 0 HB2 LEU A 50 7.643 -4.060 0.990 1.00 1.00 H new ATOM 0 HB3 LEU A 50 7.938 -2.926 2.293 1.00 1.00 H new ATOM 0 HG LEU A 50 10.209 -2.940 0.450 1.00 1.00 H new ATOM 0 HD11 LEU A 50 9.021 -1.977 -1.507 1.00 1.00 H new ATOM 0 HD12 LEU A 50 8.496 -3.650 -1.203 1.00 1.00 H new ATOM 0 HD13 LEU A 50 7.459 -2.289 -0.712 1.00 1.00 H new ATOM 0 HD21 LEU A 50 9.691 -0.512 0.400 1.00 1.00 H new ATOM 0 HD22 LEU A 50 8.127 -0.829 1.187 1.00 1.00 H new ATOM 0 HD23 LEU A 50 9.645 -1.139 2.064 1.00 1.00 H new ATOM 690 N GLU A 51 9.527 -5.005 4.550 1.00 1.00 N ATOM 691 CA GLU A 51 9.052 -5.501 5.840 1.00 1.00 C ATOM 692 C GLU A 51 7.663 -4.933 6.153 1.00 1.00 C ATOM 693 O GLU A 51 7.311 -3.860 5.671 1.00 1.00 O ATOM 694 CB GLU A 51 10.037 -5.088 6.938 1.00 1.00 C ATOM 695 CG GLU A 51 11.153 -6.130 7.051 1.00 1.00 C ATOM 696 CD GLU A 51 10.771 -7.196 8.073 1.00 1.00 C ATOM 697 OE1 GLU A 51 10.835 -6.905 9.255 1.00 1.00 O ATOM 698 OE2 GLU A 51 10.427 -8.292 7.659 1.00 1.00 O ATOM 0 H GLU A 51 10.468 -4.612 4.569 1.00 1.00 H new ATOM 0 HA GLU A 51 8.983 -6.588 5.798 1.00 1.00 H new ATOM 0 HB2 GLU A 51 10.461 -4.110 6.710 1.00 1.00 H new ATOM 0 HB3 GLU A 51 9.516 -4.995 7.891 1.00 1.00 H new ATOM 0 HG2 GLU A 51 11.330 -6.592 6.080 1.00 1.00 H new ATOM 0 HG3 GLU A 51 12.084 -5.647 7.348 1.00 1.00 H new ATOM 705 N PRO A 52 6.872 -5.628 6.942 1.00 1.00 N ATOM 706 CA PRO A 52 5.496 -5.165 7.309 1.00 1.00 C ATOM 707 C PRO A 52 5.505 -3.839 8.067 1.00 1.00 C ATOM 708 O PRO A 52 4.843 -2.882 7.665 1.00 1.00 O ATOM 709 CB PRO A 52 4.941 -6.291 8.190 1.00 1.00 C ATOM 710 CG PRO A 52 6.127 -7.072 8.650 1.00 1.00 C ATOM 711 CD PRO A 52 7.193 -6.921 7.570 1.00 1.00 C ATOM 0 HA PRO A 52 4.891 -4.977 6.422 1.00 1.00 H new ATOM 0 HB2 PRO A 52 4.387 -5.887 9.037 1.00 1.00 H new ATOM 0 HB3 PRO A 52 4.251 -6.922 7.629 1.00 1.00 H new ATOM 0 HG2 PRO A 52 6.490 -6.698 9.607 1.00 1.00 H new ATOM 0 HG3 PRO A 52 5.868 -8.121 8.795 1.00 1.00 H new ATOM 0 HD2 PRO A 52 8.197 -6.922 7.995 1.00 1.00 H new ATOM 0 HD3 PRO A 52 7.152 -7.738 6.849 1.00 1.00 H new ATOM 719 N GLN A 53 6.256 -3.785 9.162 1.00 1.00 N ATOM 720 CA GLN A 53 6.333 -2.561 9.955 1.00 1.00 C ATOM 721 C GLN A 53 6.893 -1.428 9.103 1.00 1.00 C ATOM 722 O GLN A 53 6.353 -0.321 9.082 1.00 1.00 O ATOM 723 CB GLN A 53 7.226 -2.782 11.176 1.00 1.00 C ATOM 724 CG GLN A 53 6.781 -4.047 11.912 1.00 1.00 C ATOM 725 CD GLN A 53 6.523 -3.732 13.382 1.00 1.00 C ATOM 726 OE1 GLN A 53 7.264 -4.186 14.254 1.00 1.00 O ATOM 727 NE2 GLN A 53 5.509 -2.981 13.711 1.00 1.00 N ATOM 0 H GLN A 53 6.813 -4.562 9.518 1.00 1.00 H new ATOM 0 HA GLN A 53 5.332 -2.294 10.293 1.00 1.00 H new ATOM 0 HB2 GLN A 53 8.267 -2.876 10.866 1.00 1.00 H new ATOM 0 HB3 GLN A 53 7.168 -1.921 11.842 1.00 1.00 H new ATOM 0 HG2 GLN A 53 5.876 -4.446 11.453 1.00 1.00 H new ATOM 0 HG3 GLN A 53 7.548 -4.817 11.826 1.00 1.00 H new ATOM 0 HE21 GLN A 53 4.896 -2.606 12.987 1.00 1.00 H new ATOM 0 HE22 GLN A 53 5.329 -2.769 14.692 1.00 1.00 H new ATOM 736 N ALA A 54 7.972 -1.723 8.389 1.00 1.00 N ATOM 737 CA ALA A 54 8.595 -0.735 7.520 1.00 1.00 C ATOM 738 C ALA A 54 7.610 -0.284 6.454 1.00 1.00 C ATOM 739 O ALA A 54 7.675 0.845 5.968 1.00 1.00 O ATOM 740 CB ALA A 54 9.832 -1.334 6.851 1.00 1.00 C ATOM 0 H ALA A 54 8.431 -2.634 8.395 1.00 1.00 H new ATOM 0 HA ALA A 54 8.891 0.124 8.122 1.00 1.00 H new ATOM 0 HB1 ALA A 54 10.292 -0.588 6.203 1.00 1.00 H new ATOM 0 HB2 ALA A 54 10.546 -1.641 7.615 1.00 1.00 H new ATOM 0 HB3 ALA A 54 9.541 -2.201 6.258 1.00 1.00 H new ATOM 746 N LEU A 55 6.699 -1.179 6.094 1.00 1.00 N ATOM 747 CA LEU A 55 5.699 -0.865 5.077 1.00 1.00 C ATOM 748 C LEU A 55 4.846 0.318 5.516 1.00 1.00 C ATOM 749 O LEU A 55 4.425 1.133 4.694 1.00 1.00 O ATOM 750 CB LEU A 55 4.797 -2.078 4.825 1.00 1.00 C ATOM 751 CG LEU A 55 4.744 -2.376 3.326 1.00 1.00 C ATOM 752 CD1 LEU A 55 3.851 -3.592 3.077 1.00 1.00 C ATOM 753 CD2 LEU A 55 4.173 -1.167 2.578 1.00 1.00 C ATOM 0 H LEU A 55 6.630 -2.119 6.485 1.00 1.00 H new ATOM 0 HA LEU A 55 6.220 -0.607 4.155 1.00 1.00 H new ATOM 0 HB2 LEU A 55 5.177 -2.945 5.365 1.00 1.00 H new ATOM 0 HB3 LEU A 55 3.793 -1.882 5.203 1.00 1.00 H new ATOM 0 HG LEU A 55 5.752 -2.582 2.966 1.00 1.00 H new ATOM 0 HD11 LEU A 55 3.814 -3.803 2.008 1.00 1.00 H new ATOM 0 HD12 LEU A 55 4.257 -4.456 3.604 1.00 1.00 H new ATOM 0 HD13 LEU A 55 2.845 -3.385 3.441 1.00 1.00 H new ATOM 0 HD21 LEU A 55 4.137 -1.384 1.510 1.00 1.00 H new ATOM 0 HD22 LEU A 55 3.166 -0.957 2.940 1.00 1.00 H new ATOM 0 HD23 LEU A 55 4.809 -0.299 2.751 1.00 1.00 H new ATOM 765 N GLU A 56 4.591 0.406 6.816 1.00 1.00 N ATOM 766 CA GLU A 56 3.781 1.493 7.353 1.00 1.00 C ATOM 767 C GLU A 56 4.525 2.823 7.267 1.00 1.00 C ATOM 768 O GLU A 56 3.927 3.859 6.976 1.00 1.00 O ATOM 769 CB GLU A 56 3.416 1.201 8.811 1.00 1.00 C ATOM 770 CG GLU A 56 2.118 1.931 9.171 1.00 1.00 C ATOM 771 CD GLU A 56 0.921 1.190 8.584 1.00 1.00 C ATOM 772 OE1 GLU A 56 0.621 1.415 7.423 1.00 1.00 O ATOM 773 OE2 GLU A 56 0.321 0.410 9.305 1.00 1.00 O ATOM 0 H GLU A 56 4.930 -0.257 7.513 1.00 1.00 H new ATOM 0 HA GLU A 56 2.872 1.566 6.757 1.00 1.00 H new ATOM 0 HB2 GLU A 56 3.295 0.128 8.958 1.00 1.00 H new ATOM 0 HB3 GLU A 56 4.222 1.524 9.470 1.00 1.00 H new ATOM 0 HG2 GLU A 56 2.018 1.999 10.254 1.00 1.00 H new ATOM 0 HG3 GLU A 56 2.147 2.951 8.789 1.00 1.00 H new ATOM 780 N ARG A 57 5.829 2.796 7.533 1.00 1.00 N ATOM 781 CA ARG A 57 6.628 4.011 7.492 1.00 1.00 C ATOM 782 C ARG A 57 6.564 4.665 6.116 1.00 1.00 C ATOM 783 O ARG A 57 6.196 5.834 5.998 1.00 1.00 O ATOM 784 CB ARG A 57 8.081 3.675 7.838 1.00 1.00 C ATOM 785 CG ARG A 57 8.906 4.958 7.998 1.00 1.00 C ATOM 786 CD ARG A 57 8.745 5.506 9.414 1.00 1.00 C ATOM 787 NE ARG A 57 9.177 4.515 10.394 1.00 1.00 N ATOM 788 CZ ARG A 57 9.289 4.821 11.681 1.00 1.00 C ATOM 789 NH1 ARG A 57 9.015 6.030 12.092 1.00 1.00 N ATOM 790 NH2 ARG A 57 9.671 3.914 12.537 1.00 1.00 N ATOM 0 H ARG A 57 6.348 1.952 7.777 1.00 1.00 H new ATOM 0 HA ARG A 57 6.226 4.715 8.221 1.00 1.00 H new ATOM 0 HB2 ARG A 57 8.117 3.095 8.760 1.00 1.00 H new ATOM 0 HB3 ARG A 57 8.513 3.053 7.054 1.00 1.00 H new ATOM 0 HG2 ARG A 57 9.957 4.752 7.796 1.00 1.00 H new ATOM 0 HG3 ARG A 57 8.581 5.703 7.271 1.00 1.00 H new ATOM 0 HD2 ARG A 57 9.331 6.418 9.527 1.00 1.00 H new ATOM 0 HD3 ARG A 57 7.703 5.773 9.592 1.00 1.00 H new ATOM 0 HE ARG A 57 9.397 3.568 10.084 1.00 1.00 H new ATOM 0 HH11 ARG A 57 8.715 6.740 11.424 1.00 1.00 H new ATOM 0 HH12 ARG A 57 9.101 6.264 13.081 1.00 1.00 H new ATOM 0 HH21 ARG A 57 9.884 2.969 12.218 1.00 1.00 H new ATOM 0 HH22 ARG A 57 9.757 4.150 13.526 1.00 1.00 H new ATOM 804 N LEU A 58 6.927 3.921 5.078 1.00 1.00 N ATOM 805 CA LEU A 58 6.902 4.473 3.730 1.00 1.00 C ATOM 806 C LEU A 58 5.502 4.995 3.419 1.00 1.00 C ATOM 807 O LEU A 58 5.334 6.018 2.756 1.00 1.00 O ATOM 808 CB LEU A 58 7.317 3.400 2.715 1.00 1.00 C ATOM 809 CG LEU A 58 7.183 3.934 1.281 1.00 1.00 C ATOM 810 CD1 LEU A 58 7.946 5.251 1.136 1.00 1.00 C ATOM 811 CD2 LEU A 58 7.771 2.912 0.305 1.00 1.00 C ATOM 0 H LEU A 58 7.237 2.951 5.141 1.00 1.00 H new ATOM 0 HA LEU A 58 7.609 5.300 3.663 1.00 1.00 H new ATOM 0 HB2 LEU A 58 8.347 3.095 2.901 1.00 1.00 H new ATOM 0 HB3 LEU A 58 6.694 2.514 2.839 1.00 1.00 H new ATOM 0 HG LEU A 58 6.128 4.101 1.062 1.00 1.00 H new ATOM 0 HD11 LEU A 58 7.844 5.620 0.115 1.00 1.00 H new ATOM 0 HD12 LEU A 58 7.538 5.986 1.830 1.00 1.00 H new ATOM 0 HD13 LEU A 58 9.000 5.087 1.359 1.00 1.00 H new ATOM 0 HD21 LEU A 58 7.678 3.287 -0.714 1.00 1.00 H new ATOM 0 HD22 LEU A 58 8.824 2.751 0.538 1.00 1.00 H new ATOM 0 HD23 LEU A 58 7.231 1.970 0.396 1.00 1.00 H new ATOM 823 N SER A 59 4.498 4.283 3.917 1.00 1.00 N ATOM 824 CA SER A 59 3.112 4.686 3.715 1.00 1.00 C ATOM 825 C SER A 59 2.817 5.987 4.464 1.00 1.00 C ATOM 826 O SER A 59 2.119 6.865 3.957 1.00 1.00 O ATOM 827 CB SER A 59 2.173 3.587 4.211 1.00 1.00 C ATOM 828 OG SER A 59 1.846 3.827 5.573 1.00 1.00 O ATOM 0 H SER A 59 4.617 3.428 4.461 1.00 1.00 H new ATOM 0 HA SER A 59 2.951 4.848 2.649 1.00 1.00 H new ATOM 0 HB2 SER A 59 1.267 3.567 3.606 1.00 1.00 H new ATOM 0 HB3 SER A 59 2.648 2.612 4.106 1.00 1.00 H new ATOM 0 HG SER A 59 2.646 3.710 6.127 1.00 1.00 H new ATOM 834 N ARG A 60 3.336 6.085 5.689 1.00 1.00 N ATOM 835 CA ARG A 60 3.109 7.259 6.533 1.00 1.00 C ATOM 836 C ARG A 60 3.771 8.515 5.971 1.00 1.00 C ATOM 837 O ARG A 60 3.160 9.582 5.937 1.00 1.00 O ATOM 838 CB ARG A 60 3.656 6.996 7.936 1.00 1.00 C ATOM 839 CG ARG A 60 2.941 7.897 8.945 1.00 1.00 C ATOM 840 CD ARG A 60 1.763 7.141 9.561 1.00 1.00 C ATOM 841 NE ARG A 60 0.820 8.075 10.165 1.00 1.00 N ATOM 842 CZ ARG A 60 1.101 8.697 11.305 1.00 1.00 C ATOM 843 NH1 ARG A 60 2.244 8.486 11.898 1.00 1.00 N ATOM 844 NH2 ARG A 60 0.235 9.518 11.832 1.00 1.00 N ATOM 0 H ARG A 60 3.917 5.365 6.119 1.00 1.00 H new ATOM 0 HA ARG A 60 2.033 7.431 6.564 1.00 1.00 H new ATOM 0 HB2 ARG A 60 3.512 5.949 8.203 1.00 1.00 H new ATOM 0 HB3 ARG A 60 4.729 7.186 7.960 1.00 1.00 H new ATOM 0 HG2 ARG A 60 3.635 8.208 9.726 1.00 1.00 H new ATOM 0 HG3 ARG A 60 2.588 8.803 8.453 1.00 1.00 H new ATOM 0 HD2 ARG A 60 1.260 6.551 8.794 1.00 1.00 H new ATOM 0 HD3 ARG A 60 2.125 6.442 10.315 1.00 1.00 H new ATOM 0 HE ARG A 60 -0.072 8.254 9.704 1.00 1.00 H new ATOM 0 HH11 ARG A 60 2.921 7.844 11.486 1.00 1.00 H new ATOM 0 HH12 ARG A 60 2.460 8.963 12.773 1.00 1.00 H new ATOM 0 HH21 ARG A 60 -0.659 9.683 11.369 1.00 1.00 H new ATOM 0 HH22 ARG A 60 0.452 9.995 12.707 1.00 1.00 H new ATOM 858 N VAL A 61 5.023 8.391 5.546 1.00 1.00 N ATOM 859 CA VAL A 61 5.748 9.537 5.004 1.00 1.00 C ATOM 860 C VAL A 61 5.165 9.965 3.661 1.00 1.00 C ATOM 861 O VAL A 61 4.979 11.155 3.407 1.00 1.00 O ATOM 862 CB VAL A 61 7.232 9.190 4.837 1.00 1.00 C ATOM 863 CG1 VAL A 61 7.371 7.981 3.926 1.00 1.00 C ATOM 864 CG2 VAL A 61 7.967 10.383 4.223 1.00 1.00 C ATOM 0 H VAL A 61 5.553 7.520 5.565 1.00 1.00 H new ATOM 0 HA VAL A 61 5.647 10.365 5.705 1.00 1.00 H new ATOM 0 HB VAL A 61 7.664 8.960 5.811 1.00 1.00 H new ATOM 0 HG11 VAL A 61 8.426 7.734 3.807 1.00 1.00 H new ATOM 0 HG12 VAL A 61 6.847 7.132 4.365 1.00 1.00 H new ATOM 0 HG13 VAL A 61 6.940 8.208 2.951 1.00 1.00 H new ATOM 0 HG21 VAL A 61 9.022 10.138 4.104 1.00 1.00 H new ATOM 0 HG22 VAL A 61 7.536 10.614 3.249 1.00 1.00 H new ATOM 0 HG23 VAL A 61 7.867 11.248 4.878 1.00 1.00 H new ATOM 874 N ALA A 62 4.882 8.990 2.805 1.00 1.00 N ATOM 875 CA ALA A 62 4.323 9.283 1.487 1.00 1.00 C ATOM 876 C ALA A 62 3.076 10.151 1.608 1.00 1.00 C ATOM 877 O ALA A 62 2.814 10.997 0.753 1.00 1.00 O ATOM 878 CB ALA A 62 3.975 7.979 0.766 1.00 1.00 C ATOM 0 H ALA A 62 5.028 7.999 2.995 1.00 1.00 H new ATOM 0 HA ALA A 62 5.071 9.828 0.911 1.00 1.00 H new ATOM 0 HB1 ALA A 62 3.559 8.206 -0.216 1.00 1.00 H new ATOM 0 HB2 ALA A 62 4.876 7.377 0.648 1.00 1.00 H new ATOM 0 HB3 ALA A 62 3.242 7.424 1.351 1.00 1.00 H new ATOM 884 N LEU A 63 2.308 9.936 2.670 1.00 1.00 N ATOM 885 CA LEU A 63 1.088 10.708 2.885 1.00 1.00 C ATOM 886 C LEU A 63 1.413 12.187 3.064 1.00 1.00 C ATOM 887 O LEU A 63 0.537 13.042 2.933 1.00 1.00 O ATOM 888 CB LEU A 63 0.357 10.191 4.129 1.00 1.00 C ATOM 889 CG LEU A 63 -0.393 8.896 3.795 1.00 1.00 C ATOM 890 CD1 LEU A 63 -0.918 8.268 5.086 1.00 1.00 C ATOM 891 CD2 LEU A 63 -1.576 9.187 2.859 1.00 1.00 C ATOM 0 H LEU A 63 2.505 9.241 3.390 1.00 1.00 H new ATOM 0 HA LEU A 63 0.448 10.592 2.010 1.00 1.00 H new ATOM 0 HB2 LEU A 63 1.071 10.011 4.932 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -0.344 10.944 4.489 1.00 1.00 H new ATOM 0 HG LEU A 63 0.293 8.211 3.297 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -1.452 7.347 4.852 1.00 1.00 H new ATOM 0 HD12 LEU A 63 -0.082 8.044 5.748 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -1.596 8.964 5.580 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -2.098 8.257 2.632 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -2.263 9.879 3.346 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -1.208 9.632 1.934 1.00 1.00 H new ATOM 903 N VAL A 64 2.673 12.478 3.371 1.00 1.00 N ATOM 904 CA VAL A 64 3.106 13.857 3.576 1.00 1.00 C ATOM 905 C VAL A 64 4.016 14.320 2.441 1.00 1.00 C ATOM 906 O VAL A 64 3.861 15.427 1.927 1.00 1.00 O ATOM 907 CB VAL A 64 3.845 13.973 4.910 1.00 1.00 C ATOM 908 CG1 VAL A 64 3.453 15.279 5.601 1.00 1.00 C ATOM 909 CG2 VAL A 64 3.462 12.792 5.804 1.00 1.00 C ATOM 0 H VAL A 64 3.410 11.781 3.483 1.00 1.00 H new ATOM 0 HA VAL A 64 2.223 14.495 3.589 1.00 1.00 H new ATOM 0 HB VAL A 64 4.920 13.966 4.732 1.00 1.00 H new ATOM 0 HG11 VAL A 64 3.980 15.360 6.551 1.00 1.00 H new ATOM 0 HG12 VAL A 64 3.721 16.122 4.964 1.00 1.00 H new ATOM 0 HG13 VAL A 64 2.378 15.287 5.781 1.00 1.00 H new ATOM 0 HG21 VAL A 64 3.987 12.871 6.756 1.00 1.00 H new ATOM 0 HG22 VAL A 64 2.386 12.803 5.981 1.00 1.00 H new ATOM 0 HG23 VAL A 64 3.739 11.859 5.313 1.00 1.00 H new ATOM 919 N ARG A 65 4.964 13.470 2.055 1.00 1.00 N ATOM 920 CA ARG A 65 5.890 13.812 0.979 1.00 1.00 C ATOM 921 C ARG A 65 6.093 12.625 0.042 1.00 1.00 C ATOM 922 O ARG A 65 7.059 11.872 0.167 1.00 1.00 O ATOM 923 CB ARG A 65 7.232 14.251 1.561 1.00 1.00 C ATOM 924 CG ARG A 65 6.999 15.219 2.723 1.00 1.00 C ATOM 925 CD ARG A 65 8.221 16.123 2.888 1.00 1.00 C ATOM 926 NE ARG A 65 8.234 16.713 4.220 1.00 1.00 N ATOM 927 CZ ARG A 65 7.489 17.777 4.508 1.00 1.00 C ATOM 928 NH1 ARG A 65 6.736 18.314 3.587 1.00 1.00 N ATOM 929 NH2 ARG A 65 7.511 18.282 5.710 1.00 1.00 N ATOM 0 H ARG A 65 5.111 12.548 2.466 1.00 1.00 H new ATOM 0 HA ARG A 65 5.461 14.635 0.407 1.00 1.00 H new ATOM 0 HB2 ARG A 65 7.791 13.381 1.906 1.00 1.00 H new ATOM 0 HB3 ARG A 65 7.834 14.732 0.790 1.00 1.00 H new ATOM 0 HG2 ARG A 65 6.110 15.822 2.535 1.00 1.00 H new ATOM 0 HG3 ARG A 65 6.818 14.663 3.643 1.00 1.00 H new ATOM 0 HD2 ARG A 65 9.133 15.547 2.728 1.00 1.00 H new ATOM 0 HD3 ARG A 65 8.205 16.910 2.134 1.00 1.00 H new ATOM 0 HE ARG A 65 8.824 16.303 4.944 1.00 1.00 H new ATOM 0 HH11 ARG A 65 6.719 17.918 2.647 1.00 1.00 H new ATOM 0 HH12 ARG A 65 6.165 19.130 3.807 1.00 1.00 H new ATOM 0 HH21 ARG A 65 8.099 17.861 6.429 1.00 1.00 H new ATOM 0 HH22 ARG A 65 6.940 19.098 5.931 1.00 1.00 H new ATOM 943 N ARG A 66 5.167 12.476 -0.897 1.00 1.00 N ATOM 944 CA ARG A 66 5.217 11.390 -1.872 1.00 1.00 C ATOM 945 C ARG A 66 6.489 11.451 -2.717 1.00 1.00 C ATOM 946 O ARG A 66 6.986 10.425 -3.180 1.00 1.00 O ATOM 947 CB ARG A 66 3.994 11.455 -2.788 1.00 1.00 C ATOM 948 CG ARG A 66 3.946 12.816 -3.489 1.00 1.00 C ATOM 949 CD ARG A 66 2.529 13.383 -3.403 1.00 1.00 C ATOM 950 NE ARG A 66 1.565 12.408 -3.901 1.00 1.00 N ATOM 951 CZ ARG A 66 0.261 12.668 -3.904 1.00 1.00 C ATOM 952 NH1 ARG A 66 -0.176 13.814 -3.461 1.00 1.00 N ATOM 953 NH2 ARG A 66 -0.580 11.777 -4.351 1.00 1.00 N ATOM 0 H ARG A 66 4.366 13.098 -1.005 1.00 1.00 H new ATOM 0 HA ARG A 66 5.219 10.450 -1.321 1.00 1.00 H new ATOM 0 HB2 ARG A 66 4.039 10.656 -3.528 1.00 1.00 H new ATOM 0 HB3 ARG A 66 3.084 11.302 -2.208 1.00 1.00 H new ATOM 0 HG2 ARG A 66 4.653 13.502 -3.023 1.00 1.00 H new ATOM 0 HG3 ARG A 66 4.245 12.711 -4.532 1.00 1.00 H new ATOM 0 HD2 ARG A 66 2.295 13.642 -2.370 1.00 1.00 H new ATOM 0 HD3 ARG A 66 2.461 14.302 -3.985 1.00 1.00 H new ATOM 0 HE ARG A 66 1.897 11.510 -4.253 1.00 1.00 H new ATOM 0 HH11 ARG A 66 0.482 14.511 -3.112 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -1.176 14.014 -3.463 1.00 1.00 H new ATOM 0 HH21 ARG A 66 -0.237 10.881 -4.698 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -1.580 11.976 -4.353 1.00 1.00 H new ATOM 967 N ASP A 67 6.997 12.659 -2.936 1.00 1.00 N ATOM 968 CA ASP A 67 8.194 12.838 -3.754 1.00 1.00 C ATOM 969 C ASP A 67 9.349 11.984 -3.235 1.00 1.00 C ATOM 970 O ASP A 67 10.036 11.317 -4.006 1.00 1.00 O ATOM 971 CB ASP A 67 8.600 14.313 -3.754 1.00 1.00 C ATOM 972 CG ASP A 67 8.122 14.975 -2.470 1.00 1.00 C ATOM 973 OD1 ASP A 67 8.045 14.281 -1.469 1.00 1.00 O ATOM 974 OD2 ASP A 67 7.857 16.165 -2.497 1.00 1.00 O ATOM 0 H ASP A 67 6.604 13.523 -2.563 1.00 1.00 H new ATOM 0 HA ASP A 67 7.965 12.519 -4.771 1.00 1.00 H new ATOM 0 HB2 ASP A 67 9.683 14.402 -3.840 1.00 1.00 H new ATOM 0 HB3 ASP A 67 8.169 14.819 -4.618 1.00 1.00 H new ATOM 979 N ARG A 68 9.557 12.001 -1.929 1.00 1.00 N ATOM 980 CA ARG A 68 10.629 11.211 -1.331 1.00 1.00 C ATOM 981 C ARG A 68 10.280 9.727 -1.374 1.00 1.00 C ATOM 982 O ARG A 68 11.153 8.877 -1.542 1.00 1.00 O ATOM 983 CB ARG A 68 10.867 11.626 0.124 1.00 1.00 C ATOM 984 CG ARG A 68 10.417 13.071 0.348 1.00 1.00 C ATOM 985 CD ARG A 68 11.087 13.994 -0.670 1.00 1.00 C ATOM 986 NE ARG A 68 11.492 15.243 -0.035 1.00 1.00 N ATOM 987 CZ ARG A 68 12.515 15.282 0.812 1.00 1.00 C ATOM 988 NH1 ARG A 68 13.153 14.184 1.116 1.00 1.00 N ATOM 989 NH2 ARG A 68 12.883 16.418 1.338 1.00 1.00 N ATOM 0 H ARG A 68 9.006 12.546 -1.266 1.00 1.00 H new ATOM 0 HA ARG A 68 11.537 11.392 -1.907 1.00 1.00 H new ATOM 0 HB2 ARG A 68 10.321 10.961 0.792 1.00 1.00 H new ATOM 0 HB3 ARG A 68 11.924 11.526 0.369 1.00 1.00 H new ATOM 0 HG2 ARG A 68 9.333 13.141 0.256 1.00 1.00 H new ATOM 0 HG3 ARG A 68 10.672 13.387 1.360 1.00 1.00 H new ATOM 0 HD2 ARG A 68 11.957 13.499 -1.101 1.00 1.00 H new ATOM 0 HD3 ARG A 68 10.399 14.202 -1.490 1.00 1.00 H new ATOM 0 HE ARG A 68 10.981 16.101 -0.245 1.00 1.00 H new ATOM 0 HH11 ARG A 68 12.866 13.296 0.703 1.00 1.00 H new ATOM 0 HH12 ARG A 68 13.938 14.214 1.766 1.00 1.00 H new ATOM 0 HH21 ARG A 68 12.385 17.276 1.099 1.00 1.00 H new ATOM 0 HH22 ARG A 68 13.668 16.448 1.988 1.00 1.00 H new ATOM 1003 N ALA A 69 8.999 9.435 -1.203 1.00 1.00 N ATOM 1004 CA ALA A 69 8.513 8.057 -1.201 1.00 1.00 C ATOM 1005 C ALA A 69 8.699 7.377 -2.558 1.00 1.00 C ATOM 1006 O ALA A 69 8.882 6.162 -2.625 1.00 1.00 O ATOM 1007 CB ALA A 69 7.028 8.043 -0.846 1.00 1.00 C ATOM 0 H ALA A 69 8.271 10.136 -1.063 1.00 1.00 H new ATOM 0 HA ALA A 69 9.096 7.507 -0.463 1.00 1.00 H new ATOM 0 HB1 ALA A 69 6.664 7.016 -0.844 1.00 1.00 H new ATOM 0 HB2 ALA A 69 6.886 8.480 0.142 1.00 1.00 H new ATOM 0 HB3 ALA A 69 6.472 8.623 -1.583 1.00 1.00 H new ATOM 1013 N GLN A 70 8.637 8.146 -3.637 1.00 1.00 N ATOM 1014 CA GLN A 70 8.795 7.565 -4.969 1.00 1.00 C ATOM 1015 C GLN A 70 10.257 7.232 -5.253 1.00 1.00 C ATOM 1016 O GLN A 70 10.556 6.252 -5.937 1.00 1.00 O ATOM 1017 CB GLN A 70 8.219 8.502 -6.041 1.00 1.00 C ATOM 1018 CG GLN A 70 9.273 9.502 -6.517 1.00 1.00 C ATOM 1019 CD GLN A 70 10.118 8.891 -7.629 1.00 1.00 C ATOM 1020 OE1 GLN A 70 9.584 8.252 -8.537 1.00 1.00 O ATOM 1021 NE2 GLN A 70 11.412 9.055 -7.617 1.00 1.00 N ATOM 0 H GLN A 70 8.482 9.154 -3.622 1.00 1.00 H new ATOM 0 HA GLN A 70 8.233 6.631 -5.001 1.00 1.00 H new ATOM 0 HB2 GLN A 70 7.860 7.916 -6.887 1.00 1.00 H new ATOM 0 HB3 GLN A 70 7.360 9.038 -5.637 1.00 1.00 H new ATOM 0 HG2 GLN A 70 8.787 10.409 -6.877 1.00 1.00 H new ATOM 0 HG3 GLN A 70 9.912 9.792 -5.683 1.00 1.00 H new ATOM 0 HE21 GLN A 70 11.852 9.584 -6.864 1.00 1.00 H new ATOM 0 HE22 GLN A 70 11.984 8.654 -8.360 1.00 1.00 H new ATOM 1030 N ALA A 71 11.166 8.050 -4.730 1.00 1.00 N ATOM 1031 CA ALA A 71 12.590 7.822 -4.944 1.00 1.00 C ATOM 1032 C ALA A 71 13.039 6.536 -4.247 1.00 1.00 C ATOM 1033 O ALA A 71 13.735 5.712 -4.839 1.00 1.00 O ATOM 1034 CB ALA A 71 13.389 9.014 -4.423 1.00 1.00 C ATOM 0 H ALA A 71 10.945 8.867 -4.161 1.00 1.00 H new ATOM 0 HA ALA A 71 12.771 7.712 -6.013 1.00 1.00 H new ATOM 0 HB1 ALA A 71 14.452 8.838 -4.585 1.00 1.00 H new ATOM 0 HB2 ALA A 71 13.085 9.916 -4.954 1.00 1.00 H new ATOM 0 HB3 ALA A 71 13.201 9.140 -3.357 1.00 1.00 H new ATOM 1040 N VAL A 72 12.621 6.359 -2.996 1.00 1.00 N ATOM 1041 CA VAL A 72 12.969 5.158 -2.241 1.00 1.00 C ATOM 1042 C VAL A 72 12.410 3.930 -2.949 1.00 1.00 C ATOM 1043 O VAL A 72 13.075 2.898 -3.050 1.00 1.00 O ATOM 1044 CB VAL A 72 12.402 5.230 -0.816 1.00 1.00 C ATOM 1045 CG1 VAL A 72 13.191 6.244 0.012 1.00 1.00 C ATOM 1046 CG2 VAL A 72 10.939 5.652 -0.866 1.00 1.00 C ATOM 0 H VAL A 72 12.044 7.028 -2.486 1.00 1.00 H new ATOM 0 HA VAL A 72 14.055 5.088 -2.181 1.00 1.00 H new ATOM 0 HB VAL A 72 12.484 4.246 -0.354 1.00 1.00 H new ATOM 0 HG11 VAL A 72 12.781 6.288 1.021 1.00 1.00 H new ATOM 0 HG12 VAL A 72 14.237 5.941 0.058 1.00 1.00 H new ATOM 0 HG13 VAL A 72 13.118 7.228 -0.452 1.00 1.00 H new ATOM 0 HG21 VAL A 72 10.540 5.702 0.147 1.00 1.00 H new ATOM 0 HG22 VAL A 72 10.859 6.632 -1.336 1.00 1.00 H new ATOM 0 HG23 VAL A 72 10.370 4.924 -1.445 1.00 1.00 H new ATOM 1056 N GLU A 73 11.188 4.062 -3.450 1.00 1.00 N ATOM 1057 CA GLU A 73 10.537 2.973 -4.164 1.00 1.00 C ATOM 1058 C GLU A 73 11.256 2.717 -5.487 1.00 1.00 C ATOM 1059 O GLU A 73 11.356 1.577 -5.942 1.00 1.00 O ATOM 1060 CB GLU A 73 9.066 3.335 -4.420 1.00 1.00 C ATOM 1061 CG GLU A 73 8.571 2.664 -5.704 1.00 1.00 C ATOM 1062 CD GLU A 73 7.046 2.641 -5.730 1.00 1.00 C ATOM 1063 OE1 GLU A 73 6.444 3.402 -4.991 1.00 1.00 O ATOM 1064 OE2 GLU A 73 6.503 1.849 -6.484 1.00 1.00 O ATOM 0 H GLU A 73 10.629 4.912 -3.375 1.00 1.00 H new ATOM 0 HA GLU A 73 10.581 2.066 -3.561 1.00 1.00 H new ATOM 0 HB2 GLU A 73 8.454 3.017 -3.576 1.00 1.00 H new ATOM 0 HB3 GLU A 73 8.959 4.417 -4.502 1.00 1.00 H new ATOM 0 HG2 GLU A 73 8.949 3.202 -6.573 1.00 1.00 H new ATOM 0 HG3 GLU A 73 8.959 1.647 -5.765 1.00 1.00 H new ATOM 1071 N THR A 74 11.758 3.787 -6.093 1.00 1.00 N ATOM 1072 CA THR A 74 12.471 3.671 -7.360 1.00 1.00 C ATOM 1073 C THR A 74 13.879 3.133 -7.129 1.00 1.00 C ATOM 1074 O THR A 74 14.462 2.491 -8.002 1.00 1.00 O ATOM 1075 CB THR A 74 12.542 5.036 -8.050 1.00 1.00 C ATOM 1076 OG1 THR A 74 11.331 5.267 -8.759 1.00 1.00 O ATOM 1077 CG2 THR A 74 13.719 5.062 -9.028 1.00 1.00 C ATOM 0 H THR A 74 11.686 4.738 -5.731 1.00 1.00 H new ATOM 0 HA THR A 74 11.930 2.975 -8.001 1.00 1.00 H new ATOM 0 HB THR A 74 12.683 5.814 -7.300 1.00 1.00 H new ATOM 0 HG1 THR A 74 10.663 5.648 -8.151 1.00 1.00 H new ATOM 0 HG21 THR A 74 13.765 6.035 -9.516 1.00 1.00 H new ATOM 0 HG22 THR A 74 14.647 4.884 -8.485 1.00 1.00 H new ATOM 0 HG23 THR A 74 13.584 4.285 -9.780 1.00 1.00 H new ATOM 1085 N TYR A 75 14.416 3.394 -5.943 1.00 1.00 N ATOM 1086 CA TYR A 75 15.755 2.931 -5.601 1.00 1.00 C ATOM 1087 C TYR A 75 15.791 1.404 -5.541 1.00 1.00 C ATOM 1088 O TYR A 75 16.668 0.768 -6.126 1.00 1.00 O ATOM 1089 CB TYR A 75 16.164 3.511 -4.249 1.00 1.00 C ATOM 1090 CG TYR A 75 17.487 2.927 -3.828 1.00 1.00 C ATOM 1091 CD1 TYR A 75 17.526 1.748 -3.074 1.00 1.00 C ATOM 1092 CD2 TYR A 75 18.680 3.566 -4.191 1.00 1.00 C ATOM 1093 CE1 TYR A 75 18.758 1.209 -2.682 1.00 1.00 C ATOM 1094 CE2 TYR A 75 19.910 3.026 -3.798 1.00 1.00 C ATOM 1095 CZ TYR A 75 19.950 1.847 -3.045 1.00 1.00 C ATOM 1096 OH TYR A 75 21.162 1.315 -2.659 1.00 1.00 O ATOM 0 H TYR A 75 13.948 3.921 -5.206 1.00 1.00 H new ATOM 0 HA TYR A 75 16.453 3.266 -6.368 1.00 1.00 H new ATOM 0 HB2 TYR A 75 16.239 4.596 -4.315 1.00 1.00 H new ATOM 0 HB3 TYR A 75 15.403 3.289 -3.501 1.00 1.00 H new ATOM 0 HD1 TYR A 75 16.607 1.254 -2.795 1.00 1.00 H new ATOM 0 HD2 TYR A 75 18.650 4.475 -4.774 1.00 1.00 H new ATOM 0 HE1 TYR A 75 18.788 0.300 -2.099 1.00 1.00 H new ATOM 0 HE2 TYR A 75 20.829 3.520 -4.076 1.00 1.00 H new ATOM 0 HH TYR A 75 21.889 1.880 -2.994 1.00 1.00 H new ATOM 1106 N LEU A 76 14.829 0.828 -4.830 1.00 1.00 N ATOM 1107 CA LEU A 76 14.744 -0.623 -4.694 1.00 1.00 C ATOM 1108 C LEU A 76 14.484 -1.285 -6.043 1.00 1.00 C ATOM 1109 O LEU A 76 15.015 -2.359 -6.329 1.00 1.00 O ATOM 1110 CB LEU A 76 13.606 -0.985 -3.735 1.00 1.00 C ATOM 1111 CG LEU A 76 13.714 -2.462 -3.326 1.00 1.00 C ATOM 1112 CD1 LEU A 76 14.965 -2.693 -2.470 1.00 1.00 C ATOM 1113 CD2 LEU A 76 12.472 -2.860 -2.519 1.00 1.00 C ATOM 0 H LEU A 76 14.097 1.342 -4.339 1.00 1.00 H new ATOM 0 HA LEU A 76 15.696 -0.983 -4.303 1.00 1.00 H new ATOM 0 HB2 LEU A 76 13.649 -0.350 -2.850 1.00 1.00 H new ATOM 0 HB3 LEU A 76 12.644 -0.801 -4.213 1.00 1.00 H new ATOM 0 HG LEU A 76 13.785 -3.070 -4.228 1.00 1.00 H new ATOM 0 HD11 LEU A 76 15.025 -3.745 -2.190 1.00 1.00 H new ATOM 0 HD12 LEU A 76 15.852 -2.418 -3.041 1.00 1.00 H new ATOM 0 HD13 LEU A 76 14.908 -2.080 -1.570 1.00 1.00 H new ATOM 0 HD21 LEU A 76 12.547 -3.908 -2.228 1.00 1.00 H new ATOM 0 HD22 LEU A 76 12.404 -2.239 -1.625 1.00 1.00 H new ATOM 0 HD23 LEU A 76 11.580 -2.716 -3.129 1.00 1.00 H new ATOM 1125 N LYS A 77 13.660 -0.644 -6.868 1.00 1.00 N ATOM 1126 CA LYS A 77 13.336 -1.187 -8.177 1.00 1.00 C ATOM 1127 C LYS A 77 14.609 -1.386 -8.992 1.00 1.00 C ATOM 1128 O LYS A 77 14.759 -2.388 -9.691 1.00 1.00 O ATOM 1129 CB LYS A 77 12.357 -0.241 -8.893 1.00 1.00 C ATOM 1130 CG LYS A 77 12.714 -0.104 -10.376 1.00 1.00 C ATOM 1131 CD LYS A 77 11.572 0.602 -11.113 1.00 1.00 C ATOM 1132 CE LYS A 77 11.370 2.004 -10.536 1.00 1.00 C ATOM 1133 NZ LYS A 77 10.761 2.886 -11.572 1.00 1.00 N ATOM 0 H LYS A 77 13.209 0.245 -6.652 1.00 1.00 H new ATOM 0 HA LYS A 77 12.858 -2.160 -8.064 1.00 1.00 H new ATOM 0 HB2 LYS A 77 11.340 -0.620 -8.793 1.00 1.00 H new ATOM 0 HB3 LYS A 77 12.379 0.740 -8.418 1.00 1.00 H new ATOM 0 HG2 LYS A 77 13.638 0.463 -10.488 1.00 1.00 H new ATOM 0 HG3 LYS A 77 12.889 -1.088 -10.811 1.00 1.00 H new ATOM 0 HD2 LYS A 77 11.799 0.666 -12.177 1.00 1.00 H new ATOM 0 HD3 LYS A 77 10.653 0.024 -11.017 1.00 1.00 H new ATOM 0 HE2 LYS A 77 10.726 1.958 -9.658 1.00 1.00 H new ATOM 0 HE3 LYS A 77 12.325 2.415 -10.209 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 10.624 3.839 -11.179 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 11.392 2.939 -12.397 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 9.842 2.496 -11.863 1.00 1.00 H new ATOM 1147 N LYS A 78 15.527 -0.431 -8.895 1.00 1.00 N ATOM 1148 CA LYS A 78 16.782 -0.523 -9.627 1.00 1.00 C ATOM 1149 C LYS A 78 17.623 -1.674 -9.085 1.00 1.00 C ATOM 1150 O LYS A 78 18.318 -2.355 -9.837 1.00 1.00 O ATOM 1151 CB LYS A 78 17.561 0.788 -9.500 1.00 1.00 C ATOM 1152 CG LYS A 78 17.171 1.727 -10.643 1.00 1.00 C ATOM 1153 CD LYS A 78 17.450 3.174 -10.234 1.00 1.00 C ATOM 1154 CE LYS A 78 18.931 3.330 -9.887 1.00 1.00 C ATOM 1155 NZ LYS A 78 19.120 3.150 -8.420 1.00 1.00 N ATOM 0 H LYS A 78 15.427 0.407 -8.323 1.00 1.00 H new ATOM 0 HA LYS A 78 16.560 -0.707 -10.678 1.00 1.00 H new ATOM 0 HB2 LYS A 78 17.348 1.258 -8.540 1.00 1.00 H new ATOM 0 HB3 LYS A 78 18.633 0.591 -9.527 1.00 1.00 H new ATOM 0 HG2 LYS A 78 17.735 1.477 -11.541 1.00 1.00 H new ATOM 0 HG3 LYS A 78 16.115 1.604 -10.885 1.00 1.00 H new ATOM 0 HD2 LYS A 78 17.183 3.850 -11.046 1.00 1.00 H new ATOM 0 HD3 LYS A 78 16.834 3.446 -9.377 1.00 1.00 H new ATOM 0 HE2 LYS A 78 19.523 2.595 -10.433 1.00 1.00 H new ATOM 0 HE3 LYS A 78 19.285 4.315 -10.192 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 19.804 3.851 -8.069 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 18.210 3.281 -7.934 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 19.478 2.192 -8.231 1.00 1.00 H new ATOM 1169 N LEU A 79 17.542 -1.890 -7.776 1.00 1.00 N ATOM 1170 CA LEU A 79 18.293 -2.968 -7.142 1.00 1.00 C ATOM 1171 C LEU A 79 17.741 -4.324 -7.570 1.00 1.00 C ATOM 1172 O LEU A 79 18.494 -5.222 -7.947 1.00 1.00 O ATOM 1173 CB LEU A 79 18.206 -2.837 -5.619 1.00 1.00 C ATOM 1174 CG LEU A 79 19.476 -2.168 -5.089 1.00 1.00 C ATOM 1175 CD1 LEU A 79 19.637 -0.792 -5.737 1.00 1.00 C ATOM 1176 CD2 LEU A 79 19.370 -2.007 -3.572 1.00 1.00 C ATOM 0 H LEU A 79 16.969 -1.338 -7.138 1.00 1.00 H new ATOM 0 HA LEU A 79 19.335 -2.896 -7.454 1.00 1.00 H new ATOM 0 HB2 LEU A 79 17.331 -2.249 -5.344 1.00 1.00 H new ATOM 0 HB3 LEU A 79 18.084 -3.821 -5.165 1.00 1.00 H new ATOM 0 HG LEU A 79 20.341 -2.786 -5.331 1.00 1.00 H new ATOM 0 HD11 LEU A 79 20.542 -0.316 -5.359 1.00 1.00 H new ATOM 0 HD12 LEU A 79 19.711 -0.906 -6.819 1.00 1.00 H new ATOM 0 HD13 LEU A 79 18.773 -0.173 -5.496 1.00 1.00 H new ATOM 0 HD21 LEU A 79 20.274 -1.531 -3.193 1.00 1.00 H new ATOM 0 HD22 LEU A 79 18.505 -1.388 -3.331 1.00 1.00 H new ATOM 0 HD23 LEU A 79 19.255 -2.987 -3.109 1.00 1.00 H new ATOM 1188 N ILE A 80 16.420 -4.465 -7.514 1.00 1.00 N ATOM 1189 CA ILE A 80 15.780 -5.715 -7.904 1.00 1.00 C ATOM 1190 C ILE A 80 15.901 -5.929 -9.410 1.00 1.00 C ATOM 1191 O ILE A 80 16.135 -7.046 -9.872 1.00 1.00 O ATOM 1192 CB ILE A 80 14.305 -5.706 -7.498 1.00 1.00 C ATOM 1193 CG1 ILE A 80 14.198 -5.505 -5.982 1.00 1.00 C ATOM 1194 CG2 ILE A 80 13.663 -7.040 -7.887 1.00 1.00 C ATOM 1195 CD1 ILE A 80 12.730 -5.332 -5.579 1.00 1.00 C ATOM 0 H ILE A 80 15.777 -3.736 -7.205 1.00 1.00 H new ATOM 0 HA ILE A 80 16.284 -6.533 -7.390 1.00 1.00 H new ATOM 0 HB ILE A 80 13.788 -4.894 -8.009 1.00 1.00 H new ATOM 0 HG12 ILE A 80 14.628 -6.361 -5.462 1.00 1.00 H new ATOM 0 HG13 ILE A 80 14.772 -4.628 -5.682 1.00 1.00 H new ATOM 0 HG21 ILE A 80 12.612 -7.036 -7.599 1.00 1.00 H new ATOM 0 HG22 ILE A 80 13.743 -7.182 -8.965 1.00 1.00 H new ATOM 0 HG23 ILE A 80 14.176 -7.854 -7.375 1.00 1.00 H new ATOM 0 HD11 ILE A 80 12.663 -5.190 -4.500 1.00 1.00 H new ATOM 0 HD12 ILE A 80 12.314 -4.462 -6.086 1.00 1.00 H new ATOM 0 HD13 ILE A 80 12.167 -6.221 -5.863 1.00 1.00 H new ATOM 1207 N ALA A 81 15.736 -4.850 -10.168 1.00 1.00 N ATOM 1208 CA ALA A 81 15.824 -4.929 -11.621 1.00 1.00 C ATOM 1209 C ALA A 81 17.261 -5.197 -12.060 1.00 1.00 C ATOM 1210 O ALA A 81 17.495 -5.799 -13.107 1.00 1.00 O ATOM 1211 CB ALA A 81 15.334 -3.621 -12.246 1.00 1.00 C ATOM 0 H ALA A 81 15.542 -3.917 -9.804 1.00 1.00 H new ATOM 0 HA ALA A 81 15.194 -5.752 -11.958 1.00 1.00 H new ATOM 0 HB1 ALA A 81 15.403 -3.688 -13.332 1.00 1.00 H new ATOM 0 HB2 ALA A 81 14.297 -3.446 -11.958 1.00 1.00 H new ATOM 0 HB3 ALA A 81 15.952 -2.795 -11.894 1.00 1.00 H new ATOM 1306 N LYS A 88 15.719 -7.637 1.971 1.00 1.00 N ATOM 1307 CA LYS A 88 14.408 -6.998 1.956 1.00 1.00 C ATOM 1308 C LYS A 88 14.455 -5.650 2.671 1.00 1.00 C ATOM 1309 O LYS A 88 14.837 -5.568 3.838 1.00 1.00 O ATOM 1310 CB LYS A 88 13.379 -7.901 2.641 1.00 1.00 C ATOM 1311 CG LYS A 88 13.452 -9.306 2.036 1.00 1.00 C ATOM 1312 CD LYS A 88 13.972 -10.289 3.086 1.00 1.00 C ATOM 1313 CE LYS A 88 12.939 -10.433 4.207 1.00 1.00 C ATOM 1314 NZ LYS A 88 13.579 -10.121 5.516 1.00 1.00 N ATOM 0 HA LYS A 88 14.119 -6.835 0.918 1.00 1.00 H new ATOM 0 HB2 LYS A 88 13.573 -7.944 3.713 1.00 1.00 H new ATOM 0 HB3 LYS A 88 12.377 -7.490 2.515 1.00 1.00 H new ATOM 0 HG2 LYS A 88 12.466 -9.616 1.690 1.00 1.00 H new ATOM 0 HG3 LYS A 88 14.109 -9.305 1.167 1.00 1.00 H new ATOM 0 HD2 LYS A 88 14.164 -11.259 2.628 1.00 1.00 H new ATOM 0 HD3 LYS A 88 14.919 -9.935 3.493 1.00 1.00 H new ATOM 0 HE2 LYS A 88 12.100 -9.760 4.031 1.00 1.00 H new ATOM 0 HE3 LYS A 88 12.538 -11.447 4.219 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 12.877 -10.219 6.277 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 14.366 -10.780 5.684 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 13.941 -9.146 5.502 1.00 1.00 H new ATOM 1328 N ILE A 89 14.065 -4.597 1.960 1.00 1.00 N ATOM 1329 CA ILE A 89 14.067 -3.255 2.530 1.00 1.00 C ATOM 1330 C ILE A 89 13.423 -3.255 3.917 1.00 1.00 C ATOM 1331 O ILE A 89 12.558 -4.079 4.212 1.00 1.00 O ATOM 1332 CB ILE A 89 13.331 -2.287 1.579 1.00 1.00 C ATOM 1333 CG1 ILE A 89 14.372 -1.386 0.899 1.00 1.00 C ATOM 1334 CG2 ILE A 89 12.311 -1.420 2.343 1.00 1.00 C ATOM 1335 CD1 ILE A 89 13.694 -0.444 -0.095 1.00 1.00 C ATOM 0 H ILE A 89 13.745 -4.646 0.993 1.00 1.00 H new ATOM 0 HA ILE A 89 15.098 -2.919 2.645 1.00 1.00 H new ATOM 0 HB ILE A 89 12.783 -2.867 0.836 1.00 1.00 H new ATOM 0 HG12 ILE A 89 14.908 -0.807 1.651 1.00 1.00 H new ATOM 0 HG13 ILE A 89 15.111 -1.999 0.383 1.00 1.00 H new ATOM 0 HG21 ILE A 89 11.809 -0.749 1.646 1.00 1.00 H new ATOM 0 HG22 ILE A 89 11.573 -2.063 2.822 1.00 1.00 H new ATOM 0 HG23 ILE A 89 12.828 -0.834 3.102 1.00 1.00 H new ATOM 0 HD11 ILE A 89 14.446 0.188 -0.568 1.00 1.00 H new ATOM 0 HD12 ILE A 89 13.179 -1.029 -0.857 1.00 1.00 H new ATOM 0 HD13 ILE A 89 12.973 0.182 0.431 1.00 1.00 H new ATOM 1347 N THR A 90 13.848 -2.312 4.754 1.00 1.00 N ATOM 1348 CA THR A 90 13.306 -2.191 6.101 1.00 1.00 C ATOM 1349 C THR A 90 13.032 -0.724 6.433 1.00 1.00 C ATOM 1350 O THR A 90 13.336 0.169 5.641 1.00 1.00 O ATOM 1351 CB THR A 90 14.290 -2.772 7.120 1.00 1.00 C ATOM 1352 OG1 THR A 90 15.396 -1.893 7.262 1.00 1.00 O ATOM 1353 CG2 THR A 90 14.778 -4.138 6.636 1.00 1.00 C ATOM 0 H THR A 90 14.564 -1.623 4.523 1.00 1.00 H new ATOM 0 HA THR A 90 12.370 -2.748 6.148 1.00 1.00 H new ATOM 0 HB THR A 90 13.793 -2.887 8.083 1.00 1.00 H new ATOM 0 HG1 THR A 90 16.026 -2.263 7.915 1.00 1.00 H new ATOM 0 HG21 THR A 90 15.479 -4.552 7.361 1.00 1.00 H new ATOM 0 HG22 THR A 90 13.927 -4.811 6.528 1.00 1.00 H new ATOM 0 HG23 THR A 90 15.276 -4.026 5.673 1.00 1.00 H new ATOM 1361 N GLU A 91 12.455 -0.485 7.606 1.00 1.00 N ATOM 1362 CA GLU A 91 12.139 0.874 8.039 1.00 1.00 C ATOM 1363 C GLU A 91 13.388 1.748 8.045 1.00 1.00 C ATOM 1364 O GLU A 91 13.317 2.961 7.845 1.00 1.00 O ATOM 1365 CB GLU A 91 11.542 0.842 9.448 1.00 1.00 C ATOM 1366 CG GLU A 91 12.635 0.476 10.455 1.00 1.00 C ATOM 1367 CD GLU A 91 13.320 1.736 10.969 1.00 1.00 C ATOM 1368 OE1 GLU A 91 12.627 2.593 11.496 1.00 1.00 O ATOM 1369 OE2 GLU A 91 14.529 1.825 10.836 1.00 1.00 O ATOM 0 H GLU A 91 12.197 -1.212 8.273 1.00 1.00 H new ATOM 0 HA GLU A 91 11.419 1.296 7.338 1.00 1.00 H new ATOM 0 HB2 GLU A 91 11.114 1.813 9.696 1.00 1.00 H new ATOM 0 HB3 GLU A 91 10.731 0.115 9.495 1.00 1.00 H new ATOM 0 HG2 GLU A 91 12.201 -0.077 11.288 1.00 1.00 H new ATOM 0 HG3 GLU A 91 13.368 -0.179 9.985 1.00 1.00 H new ATOM 1376 N ALA A 92 14.530 1.121 8.291 1.00 1.00 N ATOM 1377 CA ALA A 92 15.795 1.844 8.342 1.00 1.00 C ATOM 1378 C ALA A 92 16.344 2.078 6.942 1.00 1.00 C ATOM 1379 O ALA A 92 16.925 3.125 6.659 1.00 1.00 O ATOM 1380 CB ALA A 92 16.814 1.054 9.164 1.00 1.00 C ATOM 0 H ALA A 92 14.608 0.118 8.458 1.00 1.00 H new ATOM 0 HA ALA A 92 15.615 2.811 8.812 1.00 1.00 H new ATOM 0 HB1 ALA A 92 17.757 1.600 9.198 1.00 1.00 H new ATOM 0 HB2 ALA A 92 16.437 0.918 10.178 1.00 1.00 H new ATOM 0 HB3 ALA A 92 16.976 0.079 8.704 1.00 1.00 H new ATOM 1386 N GLU A 93 16.158 1.097 6.068 1.00 1.00 N ATOM 1387 CA GLU A 93 16.641 1.213 4.700 1.00 1.00 C ATOM 1388 C GLU A 93 15.910 2.332 3.969 1.00 1.00 C ATOM 1389 O GLU A 93 16.533 3.166 3.320 1.00 1.00 O ATOM 1390 CB GLU A 93 16.430 -0.103 3.960 1.00 1.00 C ATOM 1391 CG GLU A 93 17.046 -1.249 4.765 1.00 1.00 C ATOM 1392 CD GLU A 93 18.062 -2.000 3.909 1.00 1.00 C ATOM 1393 OE1 GLU A 93 17.642 -2.698 3.001 1.00 1.00 O ATOM 1394 OE2 GLU A 93 19.245 -1.872 4.180 1.00 1.00 O ATOM 0 H GLU A 93 15.681 0.221 6.280 1.00 1.00 H new ATOM 0 HA GLU A 93 17.705 1.446 4.728 1.00 1.00 H new ATOM 0 HB2 GLU A 93 15.365 -0.281 3.811 1.00 1.00 H new ATOM 0 HB3 GLU A 93 16.886 -0.053 2.971 1.00 1.00 H new ATOM 0 HG2 GLU A 93 17.530 -0.857 5.659 1.00 1.00 H new ATOM 0 HG3 GLU A 93 16.264 -1.931 5.099 1.00 1.00 H new ATOM 1401 N ILE A 94 14.586 2.349 4.081 1.00 1.00 N ATOM 1402 CA ILE A 94 13.794 3.377 3.416 1.00 1.00 C ATOM 1403 C ILE A 94 14.153 4.751 3.957 1.00 1.00 C ATOM 1404 O ILE A 94 14.369 5.688 3.193 1.00 1.00 O ATOM 1405 CB ILE A 94 12.304 3.113 3.642 1.00 1.00 C ATOM 1406 CG1 ILE A 94 11.818 2.067 2.638 1.00 1.00 C ATOM 1407 CG2 ILE A 94 11.517 4.410 3.447 1.00 1.00 C ATOM 1408 CD1 ILE A 94 10.591 1.341 3.194 1.00 1.00 C ATOM 0 H ILE A 94 14.044 1.672 4.619 1.00 1.00 H new ATOM 0 HA ILE A 94 14.010 3.347 2.348 1.00 1.00 H new ATOM 0 HB ILE A 94 12.150 2.747 4.657 1.00 1.00 H new ATOM 0 HG12 ILE A 94 11.569 2.547 1.691 1.00 1.00 H new ATOM 0 HG13 ILE A 94 12.613 1.350 2.433 1.00 1.00 H new ATOM 0 HG21 ILE A 94 10.456 4.220 3.608 1.00 1.00 H new ATOM 0 HG22 ILE A 94 11.864 5.157 4.161 1.00 1.00 H new ATOM 0 HG23 ILE A 94 11.669 4.779 2.433 1.00 1.00 H new ATOM 0 HD11 ILE A 94 10.251 0.598 2.473 1.00 1.00 H new ATOM 0 HD12 ILE A 94 10.854 0.846 4.129 1.00 1.00 H new ATOM 0 HD13 ILE A 94 9.794 2.061 3.376 1.00 1.00 H new ATOM 1420 N VAL A 95 14.242 4.856 5.276 1.00 1.00 N ATOM 1421 CA VAL A 95 14.600 6.114 5.913 1.00 1.00 C ATOM 1422 C VAL A 95 16.013 6.522 5.514 1.00 1.00 C ATOM 1423 O VAL A 95 16.297 7.700 5.304 1.00 1.00 O ATOM 1424 CB VAL A 95 14.510 5.975 7.436 1.00 1.00 C ATOM 1425 CG1 VAL A 95 15.433 6.996 8.109 1.00 1.00 C ATOM 1426 CG2 VAL A 95 13.069 6.227 7.885 1.00 1.00 C ATOM 0 H VAL A 95 14.071 4.087 5.924 1.00 1.00 H new ATOM 0 HA VAL A 95 13.903 6.884 5.583 1.00 1.00 H new ATOM 0 HB VAL A 95 14.816 4.969 7.721 1.00 1.00 H new ATOM 0 HG11 VAL A 95 15.364 6.891 9.192 1.00 1.00 H new ATOM 0 HG12 VAL A 95 16.461 6.821 7.793 1.00 1.00 H new ATOM 0 HG13 VAL A 95 15.132 8.003 7.822 1.00 1.00 H new ATOM 0 HG21 VAL A 95 13.003 6.128 8.969 1.00 1.00 H new ATOM 0 HG22 VAL A 95 12.768 7.233 7.593 1.00 1.00 H new ATOM 0 HG23 VAL A 95 12.408 5.499 7.414 1.00 1.00 H new ATOM 1436 N SER A 96 16.899 5.535 5.437 1.00 1.00 N ATOM 1437 CA SER A 96 18.294 5.794 5.090 1.00 1.00 C ATOM 1438 C SER A 96 18.401 6.501 3.744 1.00 1.00 C ATOM 1439 O SER A 96 19.138 7.479 3.610 1.00 1.00 O ATOM 1440 CB SER A 96 19.070 4.478 5.038 1.00 1.00 C ATOM 1441 OG SER A 96 20.112 4.584 4.076 1.00 1.00 O ATOM 0 H SER A 96 16.679 4.554 5.609 1.00 1.00 H new ATOM 0 HA SER A 96 18.719 6.442 5.856 1.00 1.00 H new ATOM 0 HB2 SER A 96 19.487 4.250 6.019 1.00 1.00 H new ATOM 0 HB3 SER A 96 18.401 3.658 4.777 1.00 1.00 H new ATOM 0 HG SER A 96 20.612 3.742 4.042 1.00 1.00 H new ATOM 1447 N ILE A 97 17.665 6.019 2.751 1.00 1.00 N ATOM 1448 CA ILE A 97 17.700 6.646 1.437 1.00 1.00 C ATOM 1449 C ILE A 97 16.896 7.944 1.471 1.00 1.00 C ATOM 1450 O ILE A 97 17.293 8.945 0.875 1.00 1.00 O ATOM 1451 CB ILE A 97 17.153 5.686 0.373 1.00 1.00 C ATOM 1452 CG1 ILE A 97 17.874 4.342 0.496 1.00 1.00 C ATOM 1453 CG2 ILE A 97 17.415 6.252 -1.026 1.00 1.00 C ATOM 1454 CD1 ILE A 97 17.571 3.487 -0.733 1.00 1.00 C ATOM 0 H ILE A 97 17.047 5.211 2.827 1.00 1.00 H new ATOM 0 HA ILE A 97 18.732 6.881 1.174 1.00 1.00 H new ATOM 0 HB ILE A 97 16.081 5.560 0.523 1.00 1.00 H new ATOM 0 HG12 ILE A 97 18.949 4.501 0.586 1.00 1.00 H new ATOM 0 HG13 ILE A 97 17.551 3.826 1.400 1.00 1.00 H new ATOM 0 HG21 ILE A 97 17.024 5.564 -1.776 1.00 1.00 H new ATOM 0 HG22 ILE A 97 16.920 7.218 -1.126 1.00 1.00 H new ATOM 0 HG23 ILE A 97 18.488 6.377 -1.173 1.00 1.00 H new ATOM 0 HD11 ILE A 97 18.085 2.530 -0.646 1.00 1.00 H new ATOM 0 HD12 ILE A 97 16.496 3.318 -0.802 1.00 1.00 H new ATOM 0 HD13 ILE A 97 17.916 4.003 -1.629 1.00 1.00 H new ATOM 1466 N LEU A 98 15.775 7.930 2.192 1.00 1.00 N ATOM 1467 CA LEU A 98 14.946 9.127 2.313 1.00 1.00 C ATOM 1468 C LEU A 98 15.805 10.274 2.830 1.00 1.00 C ATOM 1469 O LEU A 98 15.750 11.393 2.319 1.00 1.00 O ATOM 1470 CB LEU A 98 13.790 8.870 3.289 1.00 1.00 C ATOM 1471 CG LEU A 98 12.589 9.757 2.935 1.00 1.00 C ATOM 1472 CD1 LEU A 98 11.429 9.448 3.885 1.00 1.00 C ATOM 1473 CD2 LEU A 98 12.973 11.233 3.074 1.00 1.00 C ATOM 0 H LEU A 98 15.424 7.115 2.694 1.00 1.00 H new ATOM 0 HA LEU A 98 14.533 9.383 1.337 1.00 1.00 H new ATOM 0 HB2 LEU A 98 13.499 7.820 3.251 1.00 1.00 H new ATOM 0 HB3 LEU A 98 14.114 9.075 4.309 1.00 1.00 H new ATOM 0 HG LEU A 98 12.288 9.556 1.907 1.00 1.00 H new ATOM 0 HD11 LEU A 98 10.576 10.078 3.634 1.00 1.00 H new ATOM 0 HD12 LEU A 98 11.148 8.400 3.787 1.00 1.00 H new ATOM 0 HD13 LEU A 98 11.737 9.646 4.912 1.00 1.00 H new ATOM 0 HD21 LEU A 98 12.116 11.857 2.821 1.00 1.00 H new ATOM 0 HD22 LEU A 98 13.278 11.434 4.101 1.00 1.00 H new ATOM 0 HD23 LEU A 98 13.798 11.459 2.399 1.00 1.00 H new ATOM 1485 N ASN A 99 16.613 9.972 3.839 1.00 1.00 N ATOM 1486 CA ASN A 99 17.505 10.963 4.425 1.00 1.00 C ATOM 1487 C ASN A 99 18.497 11.459 3.376 1.00 1.00 C ATOM 1488 O ASN A 99 18.907 12.620 3.390 1.00 1.00 O ATOM 1489 CB ASN A 99 18.260 10.341 5.602 1.00 1.00 C ATOM 1490 CG ASN A 99 17.911 11.074 6.891 1.00 1.00 C ATOM 1491 OD1 ASN A 99 18.655 11.951 7.330 1.00 1.00 O ATOM 1492 ND2 ASN A 99 16.815 10.767 7.530 1.00 1.00 N ATOM 0 H ASN A 99 16.668 9.048 4.268 1.00 1.00 H new ATOM 0 HA ASN A 99 16.916 11.809 4.781 1.00 1.00 H new ATOM 0 HB2 ASN A 99 18.003 9.286 5.693 1.00 1.00 H new ATOM 0 HB3 ASN A 99 19.334 10.393 5.424 1.00 1.00 H new ATOM 0 HD21 ASN A 99 16.575 11.254 8.393 1.00 1.00 H new ATOM 0 HD22 ASN A 99 16.199 10.040 7.166 1.00 1.00 H new ATOM 1499 N GLY A 100 18.871 10.564 2.466 1.00 1.00 N ATOM 1500 CA GLY A 100 19.812 10.908 1.406 1.00 1.00 C ATOM 1501 C GLY A 100 19.107 11.641 0.269 1.00 1.00 C ATOM 1502 O GLY A 100 19.701 12.486 -0.402 1.00 1.00 O ATOM 0 H GLY A 100 18.539 9.600 2.441 1.00 1.00 H new ATOM 0 HA2 GLY A 100 20.608 11.534 1.810 1.00 1.00 H new ATOM 0 HA3 GLY A 100 20.282 10.002 1.024 1.00 1.00 H new ATOM 1506 N ILE A 101 17.835 11.313 0.057 1.00 1.00 N ATOM 1507 CA ILE A 101 17.055 11.945 -1.002 1.00 1.00 C ATOM 1508 C ILE A 101 16.700 13.380 -0.624 1.00 1.00 C ATOM 1509 O ILE A 101 16.664 14.267 -1.477 1.00 1.00 O ATOM 1510 CB ILE A 101 15.777 11.140 -1.254 1.00 1.00 C ATOM 1511 CG1 ILE A 101 16.120 9.910 -2.096 1.00 1.00 C ATOM 1512 CG2 ILE A 101 14.754 11.999 -2.001 1.00 1.00 C ATOM 1513 CD1 ILE A 101 15.260 8.727 -1.651 1.00 1.00 C ATOM 0 H ILE A 101 17.325 10.617 0.601 1.00 1.00 H new ATOM 0 HA ILE A 101 17.654 11.966 -1.912 1.00 1.00 H new ATOM 0 HB ILE A 101 15.351 10.831 -0.300 1.00 1.00 H new ATOM 0 HG12 ILE A 101 15.949 10.120 -3.152 1.00 1.00 H new ATOM 0 HG13 ILE A 101 17.177 9.666 -1.987 1.00 1.00 H new ATOM 0 HG21 ILE A 101 13.849 11.417 -2.175 1.00 1.00 H new ATOM 0 HG22 ILE A 101 14.511 12.878 -1.404 1.00 1.00 H new ATOM 0 HG23 ILE A 101 15.172 12.314 -2.957 1.00 1.00 H new ATOM 0 HD11 ILE A 101 15.506 7.852 -2.252 1.00 1.00 H new ATOM 0 HD12 ILE A 101 15.453 8.511 -0.600 1.00 1.00 H new ATOM 0 HD13 ILE A 101 14.206 8.973 -1.783 1.00 1.00 H new ATOM 1525 N ALA A 102 16.444 13.602 0.661 1.00 1.00 N ATOM 1526 CA ALA A 102 16.097 14.934 1.142 1.00 1.00 C ATOM 1527 C ALA A 102 17.251 15.902 0.905 1.00 1.00 C ATOM 1528 O ALA A 102 17.038 17.093 0.673 1.00 1.00 O ATOM 1529 CB ALA A 102 15.772 14.881 2.636 1.00 1.00 C ATOM 0 H ALA A 102 16.470 12.882 1.383 1.00 1.00 H new ATOM 0 HA ALA A 102 15.223 15.284 0.593 1.00 1.00 H new ATOM 0 HB1 ALA A 102 15.514 15.880 2.988 1.00 1.00 H new ATOM 0 HB2 ALA A 102 14.930 14.209 2.802 1.00 1.00 H new ATOM 0 HB3 ALA A 102 16.640 14.516 3.185 1.00 1.00 H new ATOM 1535 N LYS A 103 18.473 15.384 0.965 1.00 1.00 N ATOM 1536 CA LYS A 103 19.655 16.212 0.755 1.00 1.00 C ATOM 1537 C LYS A 103 19.857 16.490 -0.731 1.00 1.00 C ATOM 1538 O LYS A 103 20.329 17.561 -1.112 1.00 1.00 O ATOM 1539 CB LYS A 103 20.891 15.507 1.319 1.00 1.00 C ATOM 1540 CG LYS A 103 22.092 16.453 1.255 1.00 1.00 C ATOM 1541 CD LYS A 103 23.315 15.766 1.868 1.00 1.00 C ATOM 1542 CE LYS A 103 23.713 16.488 3.157 1.00 1.00 C ATOM 1543 NZ LYS A 103 24.926 15.842 3.733 1.00 1.00 N ATOM 0 H LYS A 103 18.670 14.402 1.156 1.00 1.00 H new ATOM 0 HA LYS A 103 19.510 17.160 1.273 1.00 1.00 H new ATOM 0 HB2 LYS A 103 20.710 15.201 2.349 1.00 1.00 H new ATOM 0 HB3 LYS A 103 21.098 14.601 0.749 1.00 1.00 H new ATOM 0 HG2 LYS A 103 22.297 16.729 0.221 1.00 1.00 H new ATOM 0 HG3 LYS A 103 21.872 17.375 1.793 1.00 1.00 H new ATOM 0 HD2 LYS A 103 23.091 14.720 2.079 1.00 1.00 H new ATOM 0 HD3 LYS A 103 24.145 15.778 1.161 1.00 1.00 H new ATOM 0 HE2 LYS A 103 23.911 17.540 2.951 1.00 1.00 H new ATOM 0 HE3 LYS A 103 22.893 16.452 3.875 1.00 1.00 H new ATOM 0 HZ1 LYS A 103 25.197 16.332 4.609 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 24.721 14.844 3.943 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 25.707 15.898 3.049 1.00 1.00 H new ATOM 1557 N GLN A 104 19.496 15.520 -1.564 1.00 1.00 N ATOM 1558 CA GLN A 104 19.641 15.673 -3.008 1.00 1.00 C ATOM 1559 C GLN A 104 18.485 16.486 -3.578 1.00 1.00 C ATOM 1560 O GLN A 104 18.695 17.506 -4.236 1.00 1.00 O ATOM 1561 CB GLN A 104 19.678 14.297 -3.677 1.00 1.00 C ATOM 1562 CG GLN A 104 20.875 13.504 -3.147 1.00 1.00 C ATOM 1563 CD GLN A 104 21.828 13.175 -4.290 1.00 1.00 C ATOM 1564 OE1 GLN A 104 22.533 14.055 -4.785 1.00 1.00 O ATOM 1565 NE2 GLN A 104 21.896 11.952 -4.741 1.00 1.00 N ATOM 0 H GLN A 104 19.104 14.626 -1.268 1.00 1.00 H new ATOM 0 HA GLN A 104 20.574 16.200 -3.208 1.00 1.00 H new ATOM 0 HB2 GLN A 104 18.753 13.758 -3.475 1.00 1.00 H new ATOM 0 HB3 GLN A 104 19.752 14.409 -4.759 1.00 1.00 H new ATOM 0 HG2 GLN A 104 21.395 14.082 -2.383 1.00 1.00 H new ATOM 0 HG3 GLN A 104 20.532 12.585 -2.672 1.00 1.00 H new ATOM 0 HE21 GLN A 104 21.312 11.224 -4.330 1.00 1.00 H new ATOM 0 HE22 GLN A 104 22.533 11.725 -5.504 1.00 1.00 H new