USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 735 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 77 THR OG1 : rot 180:sc= 0.423 USER MOD Set 1.2: A 100 THR OG1 : rot -65:sc= 0.459 USER MOD Set 2.1: A 39 SER OG : rot -100:sc= -1.64 USER MOD Set 2.2: A 87 LYS NZ :NH3+ -161:sc= 0.276 (180deg=0) USER MOD Single : A 12 CYS SG : rot -160:sc= 0.0624 USER MOD Single : A 18 GLN : amide:sc= -0.025 X(o=-0.025,f=-0.14) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0573 K(o=-0.057,f=-1.3!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 180:sc= -1.64 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.784 USER MOD Single : A 45 SER OG : rot 150:sc= 0.109 USER MOD Single : A 48 MET CE :methyl -134:sc= -0.336 (180deg=-2.31!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 30:sc= -0.415 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 63:sc= 0.74 USER MOD Single : A 67 CYS SG : rot -139:sc= -0.342 USER MOD Single : A 68 THR OG1 : rot -20:sc= -0.87 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -53:sc= 0.108 USER MOD Single : A 76 LYS NZ :NH3+ -114:sc= -0.287 (180deg=-4.01!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot -11:sc= 0.829! USER MOD Single : A 86 ASN : amide:sc= -1.93 K(o=-1.9,f=-12!) USER MOD Single : A 88 MET CE :methyl -110:sc= -4.2! (180deg=-10.1!) USER MOD Single : A 94 SER OG : rot 90:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 41:sc= -1.66 USER MOD Single : A 101 THR OG1 : rot -157:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 10.500 16.969 4.696 1.00 0.00 N ATOM 67 CA PRO A 8 9.760 15.797 4.217 1.00 0.00 C ATOM 68 C PRO A 8 8.829 16.134 3.057 1.00 0.00 C ATOM 69 O PRO A 8 8.440 17.284 2.855 1.00 0.00 O ATOM 70 CB PRO A 8 8.952 15.363 5.442 1.00 0.00 C ATOM 71 CG PRO A 8 8.798 16.603 6.254 1.00 0.00 C ATOM 72 CD PRO A 8 10.053 17.402 6.030 1.00 0.00 C ATOM 0 HA PRO A 8 10.425 15.024 3.832 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.983 14.956 5.153 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.470 14.585 6.002 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.917 17.165 5.945 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.670 16.365 7.310 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.858 18.474 6.060 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.803 17.193 6.792 1.00 0.00 H new ATOM 80 N PRO A 9 8.462 15.107 2.275 1.00 0.00 N ATOM 81 CA PRO A 9 7.572 15.270 1.122 1.00 0.00 C ATOM 82 C PRO A 9 6.141 15.594 1.536 1.00 0.00 C ATOM 83 O PRO A 9 5.689 15.195 2.608 1.00 0.00 O ATOM 84 CB PRO A 9 7.633 13.904 0.432 1.00 0.00 C ATOM 85 CG PRO A 9 7.996 12.948 1.515 1.00 0.00 C ATOM 86 CD PRO A 9 8.888 13.709 2.457 1.00 0.00 C ATOM 0 HA PRO A 9 7.878 16.099 0.484 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.675 13.646 -0.019 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.374 13.897 -0.367 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.106 12.584 2.029 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.510 12.076 1.110 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.758 13.380 3.488 1.00 0.00 H new ATOM 0 HD3 PRO A 9 9.941 13.574 2.210 1.00 0.00 H new ATOM 94 N GLY A 10 5.431 16.320 0.677 1.00 0.00 N ATOM 95 CA GLY A 10 4.058 16.685 0.972 1.00 0.00 C ATOM 96 C GLY A 10 3.128 15.488 0.977 1.00 0.00 C ATOM 97 O GLY A 10 3.562 14.337 0.919 1.00 0.00 O ATOM 0 H GLY A 10 5.782 16.662 -0.218 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.017 17.177 1.944 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.711 17.408 0.234 1.00 0.00 H new ATOM 101 N PRO A 11 1.815 15.753 1.050 1.00 0.00 N ATOM 102 CA PRO A 11 0.794 14.702 1.066 1.00 0.00 C ATOM 103 C PRO A 11 0.675 13.989 -0.277 1.00 0.00 C ATOM 104 O PRO A 11 0.228 14.575 -1.264 1.00 0.00 O ATOM 105 CB PRO A 11 -0.495 15.463 1.383 1.00 0.00 C ATOM 106 CG PRO A 11 -0.241 16.852 0.908 1.00 0.00 C ATOM 107 CD PRO A 11 1.226 17.101 1.122 1.00 0.00 C ATOM 0 HA PRO A 11 1.029 13.917 1.785 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.351 15.021 0.874 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.714 15.443 2.451 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.506 16.959 -0.144 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.844 17.571 1.463 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.637 17.761 0.358 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.417 17.572 2.086 1.00 0.00 H new ATOM 115 N CYS A 12 1.078 12.724 -0.308 1.00 0.00 N ATOM 116 CA CYS A 12 1.017 11.931 -1.531 1.00 0.00 C ATOM 117 C CYS A 12 -0.430 11.650 -1.925 1.00 0.00 C ATOM 118 O CYS A 12 -1.353 11.875 -1.141 1.00 0.00 O ATOM 119 CB CYS A 12 1.773 10.615 -1.349 1.00 0.00 C ATOM 120 SG CYS A 12 3.410 10.801 -0.605 1.00 0.00 S ATOM 0 H CYS A 12 1.451 12.225 0.500 1.00 0.00 H new ATOM 0 HA CYS A 12 1.488 12.504 -2.330 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.176 9.949 -0.726 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.880 10.132 -2.321 1.00 0.00 H new ATOM 0 HG CYS A 12 4.128 9.750 -0.868 1.00 0.00 H new ATOM 126 N LEU A 13 -0.620 11.159 -3.145 1.00 0.00 N ATOM 127 CA LEU A 13 -1.955 10.849 -3.644 1.00 0.00 C ATOM 128 C LEU A 13 -2.336 9.407 -3.322 1.00 0.00 C ATOM 129 O LEU A 13 -1.482 8.538 -3.148 1.00 0.00 O ATOM 130 CB LEU A 13 -2.023 11.080 -5.155 1.00 0.00 C ATOM 131 CG LEU A 13 -1.939 12.536 -5.615 1.00 0.00 C ATOM 132 CD1 LEU A 13 -1.716 12.609 -7.118 1.00 0.00 C ATOM 133 CD2 LEU A 13 -3.201 13.292 -5.224 1.00 0.00 C ATOM 0 H LEU A 13 0.133 10.967 -3.806 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.664 11.512 -3.148 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.211 10.524 -5.624 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.956 10.656 -5.526 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.089 13.005 -5.119 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.659 13.653 -7.427 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.784 12.104 -7.373 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.545 12.123 -7.633 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.124 14.326 -5.559 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.066 12.822 -5.692 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.318 13.269 -4.141 1.00 0.00 H new ATOM 145 N PRO A 14 -3.649 9.146 -3.241 1.00 0.00 N ATOM 146 CA PRO A 14 -4.173 7.810 -2.942 1.00 0.00 C ATOM 147 C PRO A 14 -3.948 6.829 -4.088 1.00 0.00 C ATOM 148 O PRO A 14 -4.097 7.165 -5.263 1.00 0.00 O ATOM 149 CB PRO A 14 -5.670 8.054 -2.733 1.00 0.00 C ATOM 150 CG PRO A 14 -5.964 9.288 -3.514 1.00 0.00 C ATOM 151 CD PRO A 14 -4.723 10.134 -3.436 1.00 0.00 C ATOM 0 HA PRO A 14 -3.676 7.361 -2.082 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.262 7.210 -3.088 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.906 8.188 -1.677 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.207 9.046 -4.549 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.823 9.816 -3.100 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.575 10.715 -4.346 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.771 10.843 -2.610 1.00 0.00 H new ATOM 159 N PRO A 15 -3.582 5.586 -3.741 1.00 0.00 N ATOM 160 CA PRO A 15 -3.330 4.531 -4.727 1.00 0.00 C ATOM 161 C PRO A 15 -4.607 4.067 -5.418 1.00 0.00 C ATOM 162 O PRO A 15 -5.657 3.943 -4.786 1.00 0.00 O ATOM 163 CB PRO A 15 -2.734 3.397 -3.888 1.00 0.00 C ATOM 164 CG PRO A 15 -3.262 3.625 -2.514 1.00 0.00 C ATOM 165 CD PRO A 15 -3.386 5.115 -2.359 1.00 0.00 C ATOM 0 HA PRO A 15 -2.679 4.872 -5.532 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.034 2.421 -4.271 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.644 3.424 -3.903 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.228 3.137 -2.381 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.589 3.209 -1.764 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.227 5.384 -1.720 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.492 5.548 -1.910 1.00 0.00 H new ATOM 173 N ARG A 16 -4.511 3.811 -6.719 1.00 0.00 N ATOM 174 CA ARG A 16 -5.660 3.361 -7.496 1.00 0.00 C ATOM 175 C ARG A 16 -5.681 1.839 -7.603 1.00 0.00 C ATOM 176 O ARG A 16 -4.741 1.229 -8.115 1.00 0.00 O ATOM 177 CB ARG A 16 -5.630 3.981 -8.894 1.00 0.00 C ATOM 178 CG ARG A 16 -6.237 5.373 -8.956 1.00 0.00 C ATOM 179 CD ARG A 16 -7.757 5.319 -8.977 1.00 0.00 C ATOM 180 NE ARG A 16 -8.336 6.451 -9.694 1.00 0.00 N ATOM 181 CZ ARG A 16 -8.361 7.690 -9.215 1.00 0.00 C ATOM 182 NH1 ARG A 16 -7.842 7.954 -8.023 1.00 0.00 N ATOM 183 NH2 ARG A 16 -8.906 8.667 -9.927 1.00 0.00 N ATOM 0 H ARG A 16 -3.650 3.908 -7.257 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.565 3.684 -6.982 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.597 4.029 -9.239 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.167 3.329 -9.583 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.905 5.954 -8.096 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.878 5.888 -9.847 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.080 4.390 -9.446 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.133 5.307 -7.954 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.744 6.281 -10.613 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.423 7.205 -7.472 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.862 8.906 -7.657 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.307 8.468 -10.844 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.925 9.618 -9.558 1.00 0.00 H new ATOM 197 N LEU A 17 -6.758 1.232 -7.117 1.00 0.00 N ATOM 198 CA LEU A 17 -6.902 -0.219 -7.157 1.00 0.00 C ATOM 199 C LEU A 17 -6.514 -0.767 -8.526 1.00 0.00 C ATOM 200 O LEU A 17 -7.157 -0.465 -9.531 1.00 0.00 O ATOM 201 CB LEU A 17 -8.342 -0.617 -6.826 1.00 0.00 C ATOM 202 CG LEU A 17 -8.721 -2.069 -7.121 1.00 0.00 C ATOM 203 CD1 LEU A 17 -7.804 -3.023 -6.372 1.00 0.00 C ATOM 204 CD2 LEU A 17 -10.175 -2.325 -6.754 1.00 0.00 C ATOM 0 H LEU A 17 -7.544 1.722 -6.691 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.232 -0.647 -6.411 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.517 -0.425 -5.767 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.015 0.034 -7.384 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.600 -2.246 -8.190 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.089 -4.051 -6.594 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.773 -2.857 -6.684 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.892 -2.846 -5.300 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.428 -3.363 -6.970 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.322 -2.130 -5.692 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.819 -1.666 -7.336 1.00 0.00 H new ATOM 216 N GLN A 18 -5.459 -1.575 -8.557 1.00 0.00 N ATOM 217 CA GLN A 18 -4.986 -2.166 -9.803 1.00 0.00 C ATOM 218 C GLN A 18 -5.942 -3.250 -10.289 1.00 0.00 C ATOM 219 O GLN A 18 -6.525 -3.981 -9.489 1.00 0.00 O ATOM 220 CB GLN A 18 -3.585 -2.752 -9.615 1.00 0.00 C ATOM 221 CG GLN A 18 -2.757 -2.770 -10.889 1.00 0.00 C ATOM 222 CD GLN A 18 -1.565 -3.701 -10.797 1.00 0.00 C ATOM 223 OE1 GLN A 18 -1.708 -4.883 -10.482 1.00 0.00 O ATOM 224 NE2 GLN A 18 -0.378 -3.173 -11.074 1.00 0.00 N ATOM 0 H GLN A 18 -4.916 -1.835 -7.734 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.945 -1.379 -10.556 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.057 -2.174 -8.857 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.674 -3.770 -9.235 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.388 -3.075 -11.724 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.409 -1.760 -11.106 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -0.305 -2.189 -11.331 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.461 -3.752 -11.030 1.00 0.00 H new ATOM 233 N GLY A 19 -6.098 -3.348 -11.605 1.00 0.00 N ATOM 234 CA GLY A 19 -6.986 -4.345 -12.175 1.00 0.00 C ATOM 235 C GLY A 19 -8.204 -4.599 -11.309 1.00 0.00 C ATOM 236 O GLY A 19 -9.001 -3.693 -11.067 1.00 0.00 O ATOM 0 H GLY A 19 -5.625 -2.755 -12.287 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.309 -4.017 -13.163 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.440 -5.278 -12.311 1.00 0.00 H new ATOM 240 N ARG A 20 -8.350 -5.836 -10.844 1.00 0.00 N ATOM 241 CA ARG A 20 -9.481 -6.207 -10.003 1.00 0.00 C ATOM 242 C ARG A 20 -9.005 -6.782 -8.672 1.00 0.00 C ATOM 243 O ARG A 20 -8.046 -7.552 -8.609 1.00 0.00 O ATOM 244 CB ARG A 20 -10.367 -7.225 -10.723 1.00 0.00 C ATOM 245 CG ARG A 20 -11.129 -6.644 -11.903 1.00 0.00 C ATOM 246 CD ARG A 20 -12.336 -5.840 -11.445 1.00 0.00 C ATOM 247 NE ARG A 20 -13.524 -6.676 -11.292 1.00 0.00 N ATOM 248 CZ ARG A 20 -14.140 -7.270 -12.308 1.00 0.00 C ATOM 249 NH1 ARG A 20 -13.682 -7.122 -13.543 1.00 0.00 N ATOM 250 NH2 ARG A 20 -15.216 -8.015 -12.089 1.00 0.00 N ATOM 0 H ARG A 20 -7.699 -6.598 -11.036 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.062 -5.307 -9.802 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.747 -8.050 -11.073 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.080 -7.641 -10.011 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.466 -6.006 -12.487 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.455 -7.451 -12.560 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.109 -5.355 -10.496 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.540 -5.049 -12.167 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.901 -6.811 -10.354 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.855 -6.551 -13.715 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.157 -7.579 -14.321 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.571 -8.132 -11.140 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.688 -8.471 -12.870 1.00 0.00 H new ATOM 264 N PRO A 21 -9.688 -6.400 -7.583 1.00 0.00 N ATOM 265 CA PRO A 21 -9.353 -6.866 -6.234 1.00 0.00 C ATOM 266 C PRO A 21 -9.670 -8.344 -6.036 1.00 0.00 C ATOM 267 O PRO A 21 -10.272 -8.982 -6.900 1.00 0.00 O ATOM 268 CB PRO A 21 -10.237 -6.003 -5.331 1.00 0.00 C ATOM 269 CG PRO A 21 -11.389 -5.612 -6.190 1.00 0.00 C ATOM 270 CD PRO A 21 -10.842 -5.485 -7.585 1.00 0.00 C ATOM 0 HA PRO A 21 -8.287 -6.774 -6.024 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.568 -6.558 -4.454 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -9.698 -5.127 -4.969 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.179 -6.361 -6.148 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.824 -4.671 -5.854 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.581 -5.771 -8.334 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.543 -4.461 -7.808 1.00 0.00 H new ATOM 278 N LYS A 22 -9.263 -8.884 -4.892 1.00 0.00 N ATOM 279 CA LYS A 22 -9.505 -10.287 -4.578 1.00 0.00 C ATOM 280 C LYS A 22 -10.345 -10.424 -3.312 1.00 0.00 C ATOM 281 O LYS A 22 -10.779 -9.428 -2.733 1.00 0.00 O ATOM 282 CB LYS A 22 -8.178 -11.029 -4.405 1.00 0.00 C ATOM 283 CG LYS A 22 -7.240 -10.881 -5.591 1.00 0.00 C ATOM 284 CD LYS A 22 -7.582 -11.864 -6.698 1.00 0.00 C ATOM 285 CE LYS A 22 -6.454 -11.977 -7.712 1.00 0.00 C ATOM 286 NZ LYS A 22 -6.556 -13.224 -8.518 1.00 0.00 N ATOM 0 H LYS A 22 -8.763 -8.370 -4.166 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.056 -10.729 -5.408 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.679 -10.660 -3.509 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.381 -12.088 -4.243 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.297 -9.863 -5.977 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.212 -11.041 -5.265 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.784 -12.844 -6.266 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.494 -11.544 -7.201 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.475 -11.113 -8.376 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.496 -11.957 -7.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.769 -13.264 -9.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.511 -14.050 -7.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.459 -13.231 -9.034 1.00 0.00 H new ATOM 300 N ALA A 23 -10.568 -11.663 -2.887 1.00 0.00 N ATOM 301 CA ALA A 23 -11.353 -11.929 -1.688 1.00 0.00 C ATOM 302 C ALA A 23 -10.604 -11.490 -0.433 1.00 0.00 C ATOM 303 O ALA A 23 -11.154 -10.790 0.417 1.00 0.00 O ATOM 304 CB ALA A 23 -11.704 -13.407 -1.604 1.00 0.00 C ATOM 0 H ALA A 23 -10.216 -12.498 -3.355 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.275 -11.351 -1.751 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.290 -13.591 -0.704 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.285 -13.693 -2.480 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.788 -13.997 -1.568 1.00 0.00 H new ATOM 310 N LYS A 24 -9.347 -11.907 -0.324 1.00 0.00 N ATOM 311 CA LYS A 24 -8.522 -11.556 0.826 1.00 0.00 C ATOM 312 C LYS A 24 -7.264 -10.815 0.387 1.00 0.00 C ATOM 313 O LYS A 24 -6.300 -10.709 1.144 1.00 0.00 O ATOM 314 CB LYS A 24 -8.139 -12.815 1.607 1.00 0.00 C ATOM 315 CG LYS A 24 -9.333 -13.648 2.043 1.00 0.00 C ATOM 316 CD LYS A 24 -9.024 -14.455 3.292 1.00 0.00 C ATOM 317 CE LYS A 24 -10.293 -14.834 4.039 1.00 0.00 C ATOM 318 NZ LYS A 24 -10.872 -16.111 3.536 1.00 0.00 N ATOM 0 H LYS A 24 -8.877 -12.488 -1.018 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.103 -10.898 1.472 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.484 -13.430 0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.567 -12.525 2.489 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.184 -12.994 2.233 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.622 -14.321 1.236 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.479 -15.358 3.017 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.373 -13.877 3.948 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.074 -14.929 5.103 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.028 -14.036 3.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.736 -16.335 4.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.105 -16.013 2.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.180 -16.878 3.659 1.00 0.00 H new ATOM 332 N GLU A 25 -7.281 -10.303 -0.840 1.00 0.00 N ATOM 333 CA GLU A 25 -6.141 -9.571 -1.378 1.00 0.00 C ATOM 334 C GLU A 25 -6.602 -8.441 -2.293 1.00 0.00 C ATOM 335 O GLU A 25 -7.746 -8.426 -2.750 1.00 0.00 O ATOM 336 CB GLU A 25 -5.215 -10.517 -2.145 1.00 0.00 C ATOM 337 CG GLU A 25 -4.652 -11.642 -1.292 1.00 0.00 C ATOM 338 CD GLU A 25 -4.121 -12.794 -2.122 1.00 0.00 C ATOM 339 OE1 GLU A 25 -4.934 -13.466 -2.792 1.00 0.00 O ATOM 340 OE2 GLU A 25 -2.894 -13.025 -2.103 1.00 0.00 O ATOM 0 H GLU A 25 -8.072 -10.382 -1.480 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.594 -9.137 -0.541 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.763 -10.947 -2.983 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.389 -9.942 -2.565 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.851 -11.251 -0.665 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.430 -12.010 -0.623 1.00 0.00 H new ATOM 347 N ILE A 26 -5.705 -7.496 -2.556 1.00 0.00 N ATOM 348 CA ILE A 26 -6.020 -6.363 -3.417 1.00 0.00 C ATOM 349 C ILE A 26 -4.752 -5.745 -3.997 1.00 0.00 C ATOM 350 O ILE A 26 -3.750 -5.592 -3.300 1.00 0.00 O ATOM 351 CB ILE A 26 -6.804 -5.278 -2.655 1.00 0.00 C ATOM 352 CG1 ILE A 26 -8.033 -5.888 -1.977 1.00 0.00 C ATOM 353 CG2 ILE A 26 -7.215 -4.159 -3.601 1.00 0.00 C ATOM 354 CD1 ILE A 26 -8.877 -4.877 -1.233 1.00 0.00 C ATOM 0 H ILE A 26 -4.755 -7.493 -2.185 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.640 -6.745 -4.228 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.158 -4.857 -1.884 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.648 -6.378 -2.732 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.708 -6.661 -1.280 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.768 -3.400 -3.048 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.325 -3.710 -4.042 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.847 -4.564 -4.391 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.730 -5.380 -0.778 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.277 -4.404 -0.455 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.233 -4.117 -1.929 1.00 0.00 H new ATOM 366 N GLN A 27 -4.806 -5.390 -5.277 1.00 0.00 N ATOM 367 CA GLN A 27 -3.662 -4.787 -5.950 1.00 0.00 C ATOM 368 C GLN A 27 -3.803 -3.269 -6.011 1.00 0.00 C ATOM 369 O GLN A 27 -4.904 -2.745 -6.185 1.00 0.00 O ATOM 370 CB GLN A 27 -3.518 -5.354 -7.363 1.00 0.00 C ATOM 371 CG GLN A 27 -3.222 -6.845 -7.393 1.00 0.00 C ATOM 372 CD GLN A 27 -3.589 -7.487 -8.717 1.00 0.00 C ATOM 373 OE1 GLN A 27 -4.537 -7.067 -9.381 1.00 0.00 O ATOM 374 NE2 GLN A 27 -2.838 -8.509 -9.108 1.00 0.00 N ATOM 0 H GLN A 27 -5.629 -5.509 -5.868 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.767 -5.028 -5.376 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.437 -5.163 -7.917 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.718 -4.823 -7.879 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -2.162 -7.005 -7.198 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.772 -7.337 -6.590 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.062 -8.824 -8.526 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.037 -8.980 -9.991 1.00 0.00 H new ATOM 383 N LEU A 28 -2.683 -2.570 -5.865 1.00 0.00 N ATOM 384 CA LEU A 28 -2.682 -1.111 -5.903 1.00 0.00 C ATOM 385 C LEU A 28 -1.558 -0.591 -6.793 1.00 0.00 C ATOM 386 O LEU A 28 -0.508 -1.221 -6.915 1.00 0.00 O ATOM 387 CB LEU A 28 -2.534 -0.545 -4.490 1.00 0.00 C ATOM 388 CG LEU A 28 -3.600 -0.972 -3.480 1.00 0.00 C ATOM 389 CD1 LEU A 28 -3.047 -0.917 -2.065 1.00 0.00 C ATOM 390 CD2 LEU A 28 -4.836 -0.094 -3.607 1.00 0.00 C ATOM 0 H LEU A 28 -1.764 -2.989 -5.719 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.633 -0.782 -6.321 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.558 -0.838 -4.103 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.538 0.543 -4.554 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.887 -2.001 -3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.820 -1.224 -1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.192 -1.589 -1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.732 0.101 -1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.584 -0.412 -2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.565 0.945 -3.418 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.245 -0.185 -4.613 1.00 0.00 H new ATOM 402 N ARG A 29 -1.785 0.564 -7.410 1.00 0.00 N ATOM 403 CA ARG A 29 -0.791 1.170 -8.287 1.00 0.00 C ATOM 404 C ARG A 29 -0.764 2.686 -8.113 1.00 0.00 C ATOM 405 O ARG A 29 -1.668 3.389 -8.567 1.00 0.00 O ATOM 406 CB ARG A 29 -1.086 0.819 -9.746 1.00 0.00 C ATOM 407 CG ARG A 29 -0.225 1.580 -10.742 1.00 0.00 C ATOM 408 CD ARG A 29 -0.215 0.901 -12.103 1.00 0.00 C ATOM 409 NE ARG A 29 -1.297 1.378 -12.960 1.00 0.00 N ATOM 410 CZ ARG A 29 -1.375 2.621 -13.422 1.00 0.00 C ATOM 411 NH1 ARG A 29 -0.440 3.508 -13.110 1.00 0.00 N ATOM 412 NH2 ARG A 29 -2.391 2.980 -14.197 1.00 0.00 N ATOM 0 H ARG A 29 -2.649 1.099 -7.319 1.00 0.00 H new ATOM 0 HA ARG A 29 0.187 0.773 -8.015 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.935 -0.251 -9.891 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.136 1.024 -9.955 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.600 2.598 -10.845 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.794 1.652 -10.363 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.742 1.083 -12.592 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.305 -0.177 -11.971 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.033 0.721 -13.218 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.342 3.237 -12.514 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.503 4.462 -13.466 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.113 2.301 -14.438 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.450 3.935 -14.551 1.00 0.00 H new ATOM 426 N TRP A 30 0.276 3.182 -7.453 1.00 0.00 N ATOM 427 CA TRP A 30 0.420 4.615 -7.219 1.00 0.00 C ATOM 428 C TRP A 30 1.670 5.156 -7.904 1.00 0.00 C ATOM 429 O TRP A 30 2.357 4.432 -8.624 1.00 0.00 O ATOM 430 CB TRP A 30 0.480 4.903 -5.718 1.00 0.00 C ATOM 431 CG TRP A 30 1.606 4.200 -5.023 1.00 0.00 C ATOM 432 CD1 TRP A 30 2.823 4.726 -4.695 1.00 0.00 C ATOM 433 CD2 TRP A 30 1.620 2.841 -4.573 1.00 0.00 C ATOM 434 NE1 TRP A 30 3.592 3.776 -4.067 1.00 0.00 N ATOM 435 CE2 TRP A 30 2.877 2.611 -3.980 1.00 0.00 C ATOM 436 CE3 TRP A 30 0.692 1.796 -4.611 1.00 0.00 C ATOM 437 CZ2 TRP A 30 3.227 1.380 -3.432 1.00 0.00 C ATOM 438 CZ3 TRP A 30 1.041 0.575 -4.068 1.00 0.00 C ATOM 439 CH2 TRP A 30 2.299 0.375 -3.484 1.00 0.00 C ATOM 0 H TRP A 30 1.032 2.614 -7.070 1.00 0.00 H new ATOM 0 HA TRP A 30 -0.449 5.117 -7.644 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.583 5.977 -5.565 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -0.463 4.605 -5.260 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.135 5.740 -4.899 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.541 3.916 -3.722 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.281 1.941 -5.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.196 1.224 -2.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.332 -0.240 -4.094 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.541 -0.591 -3.067 1.00 0.00 H new ATOM 450 N GLY A 31 1.959 6.433 -7.675 1.00 0.00 N ATOM 451 CA GLY A 31 3.127 7.048 -8.278 1.00 0.00 C ATOM 452 C GLY A 31 3.786 8.061 -7.363 1.00 0.00 C ATOM 453 O GLY A 31 3.337 8.302 -6.242 1.00 0.00 O ATOM 0 H GLY A 31 1.406 7.052 -7.083 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.849 6.273 -8.537 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.837 7.537 -9.208 1.00 0.00 H new ATOM 457 N PRO A 32 4.880 8.673 -7.841 1.00 0.00 N ATOM 458 CA PRO A 32 5.626 9.675 -7.074 1.00 0.00 C ATOM 459 C PRO A 32 4.849 10.977 -6.910 1.00 0.00 C ATOM 460 O PRO A 32 4.232 11.482 -7.849 1.00 0.00 O ATOM 461 CB PRO A 32 6.882 9.904 -7.917 1.00 0.00 C ATOM 462 CG PRO A 32 6.478 9.544 -9.305 1.00 0.00 C ATOM 463 CD PRO A 32 5.471 8.435 -9.169 1.00 0.00 C ATOM 0 HA PRO A 32 5.833 9.339 -6.058 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.215 10.940 -7.858 1.00 0.00 H new ATOM 0 HB3 PRO A 32 7.709 9.283 -7.572 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.046 10.402 -9.821 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.339 9.220 -9.890 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.719 8.476 -9.957 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.943 7.454 -9.229 1.00 0.00 H new ATOM 471 N PRO A 33 4.878 11.535 -5.691 1.00 0.00 N ATOM 472 CA PRO A 33 4.182 12.786 -5.377 1.00 0.00 C ATOM 473 C PRO A 33 4.826 13.993 -6.052 1.00 0.00 C ATOM 474 O PRO A 33 5.927 13.899 -6.596 1.00 0.00 O ATOM 475 CB PRO A 33 4.313 12.892 -3.855 1.00 0.00 C ATOM 476 CG PRO A 33 5.536 12.108 -3.525 1.00 0.00 C ATOM 477 CD PRO A 33 5.593 10.988 -4.526 1.00 0.00 C ATOM 0 HA PRO A 33 3.151 12.779 -5.731 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.410 13.930 -3.537 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.435 12.486 -3.353 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.428 12.732 -3.586 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.488 11.720 -2.508 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.621 10.722 -4.774 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.113 10.086 -4.147 1.00 0.00 H new ATOM 485 N LEU A 34 4.133 15.126 -6.013 1.00 0.00 N ATOM 486 CA LEU A 34 4.638 16.352 -6.620 1.00 0.00 C ATOM 487 C LEU A 34 5.598 17.071 -5.679 1.00 0.00 C ATOM 488 O LEU A 34 6.597 17.646 -6.114 1.00 0.00 O ATOM 489 CB LEU A 34 3.476 17.278 -6.987 1.00 0.00 C ATOM 490 CG LEU A 34 2.870 17.076 -8.377 1.00 0.00 C ATOM 491 CD1 LEU A 34 1.937 15.876 -8.383 1.00 0.00 C ATOM 492 CD2 LEU A 34 2.133 18.330 -8.824 1.00 0.00 C ATOM 0 H LEU A 34 3.220 15.221 -5.568 1.00 0.00 H new ATOM 0 HA LEU A 34 5.181 16.083 -7.526 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.687 17.149 -6.246 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.821 18.309 -6.909 1.00 0.00 H new ATOM 0 HG LEU A 34 3.679 16.884 -9.081 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.515 15.748 -9.380 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.494 14.981 -8.107 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.132 16.038 -7.667 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.708 18.169 -9.815 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.333 18.553 -8.118 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.829 19.168 -8.860 1.00 0.00 H new ATOM 504 N VAL A 35 5.291 17.034 -4.386 1.00 0.00 N ATOM 505 CA VAL A 35 6.129 17.679 -3.382 1.00 0.00 C ATOM 506 C VAL A 35 7.034 16.667 -2.689 1.00 0.00 C ATOM 507 O VAL A 35 6.600 15.941 -1.794 1.00 0.00 O ATOM 508 CB VAL A 35 5.278 18.401 -2.321 1.00 0.00 C ATOM 509 CG1 VAL A 35 6.112 19.436 -1.582 1.00 0.00 C ATOM 510 CG2 VAL A 35 4.060 19.047 -2.965 1.00 0.00 C ATOM 0 H VAL A 35 4.468 16.564 -4.009 1.00 0.00 H new ATOM 0 HA VAL A 35 6.743 18.412 -3.905 1.00 0.00 H new ATOM 0 HB VAL A 35 4.930 17.665 -1.596 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.494 19.936 -0.836 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.949 18.943 -1.088 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.491 20.172 -2.291 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.470 19.553 -2.201 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.385 19.772 -3.712 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.452 18.280 -3.444 1.00 0.00 H new ATOM 520 N ASP A 36 8.294 16.624 -3.108 1.00 0.00 N ATOM 521 CA ASP A 36 9.262 15.701 -2.526 1.00 0.00 C ATOM 522 C ASP A 36 10.110 16.400 -1.468 1.00 0.00 C ATOM 523 O ASP A 36 11.194 15.934 -1.120 1.00 0.00 O ATOM 524 CB ASP A 36 10.162 15.119 -3.617 1.00 0.00 C ATOM 525 CG ASP A 36 11.145 16.137 -4.162 1.00 0.00 C ATOM 526 OD1 ASP A 36 11.226 17.246 -3.593 1.00 0.00 O ATOM 527 OD2 ASP A 36 11.832 15.824 -5.156 1.00 0.00 O ATOM 0 H ASP A 36 8.669 17.217 -3.848 1.00 0.00 H new ATOM 0 HA ASP A 36 8.713 14.890 -2.048 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.711 14.267 -3.215 1.00 0.00 H new ATOM 0 HB3 ASP A 36 9.543 14.743 -4.432 1.00 0.00 H new ATOM 532 N GLY A 37 9.609 17.522 -0.961 1.00 0.00 N ATOM 533 CA GLY A 37 10.334 18.268 0.051 1.00 0.00 C ATOM 534 C GLY A 37 11.663 18.791 -0.456 1.00 0.00 C ATOM 535 O GLY A 37 12.576 19.052 0.328 1.00 0.00 O ATOM 0 H GLY A 37 8.714 17.928 -1.233 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.723 19.105 0.389 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.505 17.628 0.917 1.00 0.00 H new ATOM 539 N GLY A 38 11.774 18.945 -1.772 1.00 0.00 N ATOM 540 CA GLY A 38 13.006 19.439 -2.360 1.00 0.00 C ATOM 541 C GLY A 38 13.963 18.321 -2.724 1.00 0.00 C ATOM 542 O GLY A 38 14.749 18.450 -3.662 1.00 0.00 O ATOM 0 H GLY A 38 11.033 18.737 -2.441 1.00 0.00 H new ATOM 0 HA2 GLY A 38 12.772 20.018 -3.253 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.493 20.117 -1.659 1.00 0.00 H new ATOM 546 N SER A 39 13.899 17.223 -1.979 1.00 0.00 N ATOM 547 CA SER A 39 14.770 16.080 -2.225 1.00 0.00 C ATOM 548 C SER A 39 14.015 14.965 -2.942 1.00 0.00 C ATOM 549 O SER A 39 12.812 14.779 -2.761 1.00 0.00 O ATOM 550 CB SER A 39 15.345 15.557 -0.906 1.00 0.00 C ATOM 551 OG SER A 39 16.596 16.157 -0.622 1.00 0.00 O ATOM 0 H SER A 39 13.253 17.100 -1.199 1.00 0.00 H new ATOM 0 HA SER A 39 15.589 16.410 -2.865 1.00 0.00 H new ATOM 0 HB2 SER A 39 14.647 15.763 -0.094 1.00 0.00 H new ATOM 0 HB3 SER A 39 15.461 14.475 -0.960 1.00 0.00 H new ATOM 0 HG SER A 39 17.318 15.541 -0.868 1.00 0.00 H new ATOM 557 N PRO A 40 14.738 14.204 -3.776 1.00 0.00 N ATOM 558 CA PRO A 40 14.159 13.093 -4.538 1.00 0.00 C ATOM 559 C PRO A 40 13.771 11.919 -3.646 1.00 0.00 C ATOM 560 O PRO A 40 14.620 11.328 -2.978 1.00 0.00 O ATOM 561 CB PRO A 40 15.286 12.691 -5.492 1.00 0.00 C ATOM 562 CG PRO A 40 16.536 13.124 -4.806 1.00 0.00 C ATOM 563 CD PRO A 40 16.178 14.368 -4.041 1.00 0.00 C ATOM 0 HA PRO A 40 13.238 13.382 -5.044 1.00 0.00 H new ATOM 0 HB2 PRO A 40 15.286 11.616 -5.674 1.00 0.00 H new ATOM 0 HB3 PRO A 40 15.177 13.178 -6.461 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.903 12.346 -4.137 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.328 13.324 -5.528 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.750 14.450 -3.117 1.00 0.00 H new ATOM 0 HD3 PRO A 40 16.380 15.268 -4.621 1.00 0.00 H new ATOM 571 N ILE A 41 12.485 11.586 -3.640 1.00 0.00 N ATOM 572 CA ILE A 41 11.986 10.481 -2.831 1.00 0.00 C ATOM 573 C ILE A 41 13.021 9.366 -2.725 1.00 0.00 C ATOM 574 O ILE A 41 13.798 9.136 -3.652 1.00 0.00 O ATOM 575 CB ILE A 41 10.682 9.902 -3.412 1.00 0.00 C ATOM 576 CG1 ILE A 41 9.634 11.005 -3.569 1.00 0.00 C ATOM 577 CG2 ILE A 41 10.155 8.786 -2.521 1.00 0.00 C ATOM 578 CD1 ILE A 41 9.295 11.706 -2.271 1.00 0.00 C ATOM 0 H ILE A 41 11.770 12.066 -4.186 1.00 0.00 H new ATOM 0 HA ILE A 41 11.785 10.883 -1.838 1.00 0.00 H new ATOM 0 HB ILE A 41 10.894 9.485 -4.397 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.998 11.741 -4.286 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.725 10.574 -3.988 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.233 8.387 -2.944 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.898 7.991 -2.455 1.00 0.00 H new ATOM 0 HG23 ILE A 41 9.956 9.180 -1.524 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.546 12.475 -2.458 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.901 10.981 -1.558 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.194 12.167 -1.861 1.00 0.00 H new ATOM 590 N SER A 42 13.024 8.675 -1.590 1.00 0.00 N ATOM 591 CA SER A 42 13.965 7.584 -1.362 1.00 0.00 C ATOM 592 C SER A 42 13.227 6.273 -1.113 1.00 0.00 C ATOM 593 O SER A 42 13.795 5.190 -1.261 1.00 0.00 O ATOM 594 CB SER A 42 14.872 7.906 -0.172 1.00 0.00 C ATOM 595 OG SER A 42 16.015 7.068 -0.161 1.00 0.00 O ATOM 0 H SER A 42 12.386 8.851 -0.814 1.00 0.00 H new ATOM 0 HA SER A 42 14.577 7.472 -2.257 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.183 8.950 -0.219 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.316 7.781 0.757 1.00 0.00 H new ATOM 0 HG SER A 42 16.579 7.294 0.608 1.00 0.00 H new ATOM 601 N CYS A 43 11.958 6.378 -0.733 1.00 0.00 N ATOM 602 CA CYS A 43 11.141 5.201 -0.462 1.00 0.00 C ATOM 603 C CYS A 43 9.683 5.591 -0.239 1.00 0.00 C ATOM 604 O CYS A 43 9.355 6.773 -0.136 1.00 0.00 O ATOM 605 CB CYS A 43 11.674 4.455 0.762 1.00 0.00 C ATOM 606 SG CYS A 43 12.383 5.530 2.031 1.00 0.00 S ATOM 0 H CYS A 43 11.473 7.266 -0.606 1.00 0.00 H new ATOM 0 HA CYS A 43 11.194 4.545 -1.330 1.00 0.00 H new ATOM 0 HB2 CYS A 43 10.862 3.876 1.203 1.00 0.00 H new ATOM 0 HB3 CYS A 43 12.433 3.743 0.438 1.00 0.00 H new ATOM 0 HG CYS A 43 12.804 4.807 3.026 1.00 0.00 H new ATOM 612 N TYR A 44 8.813 4.590 -0.168 1.00 0.00 N ATOM 613 CA TYR A 44 7.389 4.828 0.038 1.00 0.00 C ATOM 614 C TYR A 44 6.824 3.878 1.089 1.00 0.00 C ATOM 615 O TYR A 44 7.488 2.928 1.504 1.00 0.00 O ATOM 616 CB TYR A 44 6.627 4.662 -1.278 1.00 0.00 C ATOM 617 CG TYR A 44 6.958 5.719 -2.307 1.00 0.00 C ATOM 618 CD1 TYR A 44 6.434 7.002 -2.208 1.00 0.00 C ATOM 619 CD2 TYR A 44 7.796 5.435 -3.379 1.00 0.00 C ATOM 620 CE1 TYR A 44 6.733 7.970 -3.146 1.00 0.00 C ATOM 621 CE2 TYR A 44 8.102 6.398 -4.321 1.00 0.00 C ATOM 622 CZ TYR A 44 7.567 7.664 -4.201 1.00 0.00 C ATOM 623 OH TYR A 44 7.869 8.626 -5.137 1.00 0.00 O ATOM 0 H TYR A 44 9.069 3.606 -0.250 1.00 0.00 H new ATOM 0 HA TYR A 44 7.266 5.850 0.395 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.848 3.679 -1.695 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.557 4.688 -1.074 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.781 7.246 -1.383 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.215 4.444 -3.477 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.316 8.962 -3.054 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.756 6.161 -5.147 1.00 0.00 H new ATOM 0 HH TYR A 44 8.469 8.248 -5.813 1.00 0.00 H new ATOM 633 N SER A 45 5.593 4.142 1.515 1.00 0.00 N ATOM 634 CA SER A 45 4.938 3.313 2.521 1.00 0.00 C ATOM 635 C SER A 45 3.423 3.343 2.345 1.00 0.00 C ATOM 636 O SER A 45 2.837 4.393 2.084 1.00 0.00 O ATOM 637 CB SER A 45 5.309 3.790 3.926 1.00 0.00 C ATOM 638 OG SER A 45 4.518 3.146 4.909 1.00 0.00 O ATOM 0 H SER A 45 5.029 4.923 1.180 1.00 0.00 H new ATOM 0 HA SER A 45 5.282 2.287 2.391 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.364 3.589 4.115 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.173 4.869 3.995 1.00 0.00 H new ATOM 0 HG SER A 45 5.030 3.066 5.741 1.00 0.00 H new ATOM 644 N VAL A 46 2.794 2.180 2.491 1.00 0.00 N ATOM 645 CA VAL A 46 1.347 2.071 2.350 1.00 0.00 C ATOM 646 C VAL A 46 0.702 1.610 3.652 1.00 0.00 C ATOM 647 O VAL A 46 0.885 0.469 4.077 1.00 0.00 O ATOM 648 CB VAL A 46 0.965 1.091 1.225 1.00 0.00 C ATOM 649 CG1 VAL A 46 -0.546 0.935 1.143 1.00 0.00 C ATOM 650 CG2 VAL A 46 1.534 1.560 -0.105 1.00 0.00 C ATOM 0 H VAL A 46 3.264 1.301 2.707 1.00 0.00 H new ATOM 0 HA VAL A 46 0.977 3.065 2.097 1.00 0.00 H new ATOM 0 HB VAL A 46 1.395 0.116 1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.797 0.239 0.343 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.924 0.550 2.090 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.001 1.904 0.937 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.255 0.856 -0.889 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.135 2.546 -0.344 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.620 1.615 -0.037 1.00 0.00 H new ATOM 660 N GLU A 47 -0.055 2.504 4.281 1.00 0.00 N ATOM 661 CA GLU A 47 -0.728 2.188 5.535 1.00 0.00 C ATOM 662 C GLU A 47 -2.212 1.917 5.304 1.00 0.00 C ATOM 663 O GLU A 47 -3.013 2.845 5.197 1.00 0.00 O ATOM 664 CB GLU A 47 -0.557 3.334 6.534 1.00 0.00 C ATOM 665 CG GLU A 47 -1.109 3.024 7.916 1.00 0.00 C ATOM 666 CD GLU A 47 -0.746 4.083 8.940 1.00 0.00 C ATOM 667 OE1 GLU A 47 0.321 3.954 9.574 1.00 0.00 O ATOM 668 OE2 GLU A 47 -1.530 5.040 9.105 1.00 0.00 O ATOM 0 H GLU A 47 -0.217 3.452 3.942 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.272 1.287 5.945 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.503 3.574 6.621 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.054 4.222 6.144 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.194 2.936 7.859 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.728 2.058 8.247 1.00 0.00 H new ATOM 675 N MET A 48 -2.569 0.639 5.226 1.00 0.00 N ATOM 676 CA MET A 48 -3.956 0.246 5.008 1.00 0.00 C ATOM 677 C MET A 48 -4.690 0.083 6.335 1.00 0.00 C ATOM 678 O MET A 48 -4.111 -0.365 7.324 1.00 0.00 O ATOM 679 CB MET A 48 -4.019 -1.059 4.212 1.00 0.00 C ATOM 680 CG MET A 48 -5.429 -1.602 4.047 1.00 0.00 C ATOM 681 SD MET A 48 -5.457 -3.374 3.715 1.00 0.00 S ATOM 682 CE MET A 48 -5.253 -4.031 5.369 1.00 0.00 C ATOM 0 H MET A 48 -1.917 -0.141 5.310 1.00 0.00 H new ATOM 0 HA MET A 48 -4.446 1.035 4.437 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.584 -0.895 3.226 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.405 -1.809 4.711 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.001 -1.397 4.952 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.924 -1.076 3.231 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.505 -4.823 5.356 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.927 -3.235 6.039 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.203 -4.435 5.720 1.00 0.00 H new ATOM 692 N SER A 49 -5.968 0.449 6.348 1.00 0.00 N ATOM 693 CA SER A 49 -6.780 0.347 7.555 1.00 0.00 C ATOM 694 C SER A 49 -8.233 0.040 7.208 1.00 0.00 C ATOM 695 O SER A 49 -8.809 0.606 6.279 1.00 0.00 O ATOM 696 CB SER A 49 -6.699 1.645 8.361 1.00 0.00 C ATOM 697 OG SER A 49 -7.885 1.857 9.107 1.00 0.00 O ATOM 0 H SER A 49 -6.463 0.819 5.537 1.00 0.00 H new ATOM 0 HA SER A 49 -6.388 -0.472 8.158 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.844 1.605 9.035 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.534 2.486 7.687 1.00 0.00 H new ATOM 0 HG SER A 49 -7.807 2.692 9.614 1.00 0.00 H new ATOM 703 N PRO A 50 -8.842 -0.879 7.972 1.00 0.00 N ATOM 704 CA PRO A 50 -10.236 -1.282 7.766 1.00 0.00 C ATOM 705 C PRO A 50 -11.220 -0.179 8.138 1.00 0.00 C ATOM 706 O PRO A 50 -11.396 0.139 9.314 1.00 0.00 O ATOM 707 CB PRO A 50 -10.400 -2.483 8.701 1.00 0.00 C ATOM 708 CG PRO A 50 -9.378 -2.276 9.765 1.00 0.00 C ATOM 709 CD PRO A 50 -8.216 -1.594 9.097 1.00 0.00 C ATOM 0 HA PRO A 50 -10.445 -1.507 6.720 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.405 -2.524 9.120 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.236 -3.422 8.172 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.776 -1.665 10.575 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.073 -3.226 10.203 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.708 -0.909 9.776 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.472 -2.312 8.753 1.00 0.00 H new ATOM 717 N ILE A 51 -11.860 0.402 7.128 1.00 0.00 N ATOM 718 CA ILE A 51 -12.828 1.469 7.350 1.00 0.00 C ATOM 719 C ILE A 51 -13.665 1.201 8.596 1.00 0.00 C ATOM 720 O ILE A 51 -14.028 2.126 9.322 1.00 0.00 O ATOM 721 CB ILE A 51 -13.766 1.639 6.141 1.00 0.00 C ATOM 722 CG1 ILE A 51 -15.056 2.344 6.564 1.00 0.00 C ATOM 723 CG2 ILE A 51 -14.076 0.286 5.517 1.00 0.00 C ATOM 724 CD1 ILE A 51 -15.679 3.176 5.465 1.00 0.00 C ATOM 0 H ILE A 51 -11.725 0.152 6.148 1.00 0.00 H new ATOM 0 HA ILE A 51 -12.259 2.388 7.489 1.00 0.00 H new ATOM 0 HB ILE A 51 -13.265 2.256 5.395 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -15.777 1.597 6.896 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.846 2.986 7.420 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -14.740 0.423 4.664 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -13.150 -0.182 5.185 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -14.561 -0.353 6.255 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -16.590 3.646 5.836 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.976 3.946 5.149 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.921 2.536 4.617 1.00 0.00 H new ATOM 736 N GLU A 52 -13.967 -0.071 8.837 1.00 0.00 N ATOM 737 CA GLU A 52 -14.761 -0.460 9.997 1.00 0.00 C ATOM 738 C GLU A 52 -14.094 -0.004 11.291 1.00 0.00 C ATOM 739 O GLU A 52 -14.751 0.522 12.190 1.00 0.00 O ATOM 740 CB GLU A 52 -14.960 -1.977 10.020 1.00 0.00 C ATOM 741 CG GLU A 52 -13.682 -2.763 9.778 1.00 0.00 C ATOM 742 CD GLU A 52 -13.867 -4.254 9.981 1.00 0.00 C ATOM 743 OE1 GLU A 52 -15.027 -4.716 9.974 1.00 0.00 O ATOM 744 OE2 GLU A 52 -12.850 -4.960 10.148 1.00 0.00 O ATOM 0 H GLU A 52 -13.674 -0.849 8.245 1.00 0.00 H new ATOM 0 HA GLU A 52 -15.733 0.026 9.919 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -15.377 -2.266 10.985 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -15.694 -2.250 9.261 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.334 -2.579 8.762 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -12.905 -2.402 10.452 1.00 0.00 H new ATOM 751 N LYS A 53 -12.784 -0.211 11.380 1.00 0.00 N ATOM 752 CA LYS A 53 -12.026 0.179 12.563 1.00 0.00 C ATOM 753 C LYS A 53 -10.708 0.838 12.171 1.00 0.00 C ATOM 754 O LYS A 53 -10.037 0.399 11.237 1.00 0.00 O ATOM 755 CB LYS A 53 -11.756 -1.042 13.445 1.00 0.00 C ATOM 756 CG LYS A 53 -10.773 -2.027 12.836 1.00 0.00 C ATOM 757 CD LYS A 53 -10.513 -3.201 13.765 1.00 0.00 C ATOM 758 CE LYS A 53 -10.088 -4.440 12.991 1.00 0.00 C ATOM 759 NZ LYS A 53 -9.376 -5.419 13.859 1.00 0.00 N ATOM 0 H LYS A 53 -12.225 -0.647 10.646 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.620 0.901 13.124 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.371 -0.706 14.408 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.698 -1.555 13.639 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.164 -2.393 11.887 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.834 -1.518 12.619 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.736 -2.934 14.482 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.414 -3.420 14.338 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.967 -4.914 12.554 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.439 -4.148 12.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.103 -6.249 13.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.524 -4.975 14.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.004 -5.718 14.633 1.00 0.00 H new ATOM 773 N ASP A 54 -10.342 1.893 12.891 1.00 0.00 N ATOM 774 CA ASP A 54 -9.102 2.611 12.620 1.00 0.00 C ATOM 775 C ASP A 54 -7.894 1.807 13.091 1.00 0.00 C ATOM 776 O ASP A 54 -7.294 2.117 14.120 1.00 0.00 O ATOM 777 CB ASP A 54 -9.119 3.978 13.306 1.00 0.00 C ATOM 778 CG ASP A 54 -7.941 4.843 12.903 1.00 0.00 C ATOM 779 OD1 ASP A 54 -7.397 4.628 11.800 1.00 0.00 O ATOM 780 OD2 ASP A 54 -7.562 5.735 13.692 1.00 0.00 O ATOM 0 H ASP A 54 -10.886 2.270 13.667 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.022 2.755 11.542 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.047 4.494 13.058 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.111 3.839 14.387 1.00 0.00 H new ATOM 785 N GLU A 55 -7.545 0.774 12.332 1.00 0.00 N ATOM 786 CA GLU A 55 -6.410 -0.075 12.674 1.00 0.00 C ATOM 787 C GLU A 55 -5.367 -0.064 11.560 1.00 0.00 C ATOM 788 O GLU A 55 -5.187 -1.041 10.833 1.00 0.00 O ATOM 789 CB GLU A 55 -6.877 -1.509 12.934 1.00 0.00 C ATOM 790 CG GLU A 55 -5.939 -2.302 13.829 1.00 0.00 C ATOM 791 CD GLU A 55 -6.313 -2.207 15.296 1.00 0.00 C ATOM 792 OE1 GLU A 55 -7.251 -2.917 15.715 1.00 0.00 O ATOM 793 OE2 GLU A 55 -5.669 -1.423 16.023 1.00 0.00 O ATOM 0 H GLU A 55 -8.031 0.505 11.477 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.953 0.322 13.581 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.866 -1.483 13.391 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.980 -2.027 11.981 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.948 -3.348 13.523 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.920 -1.939 13.693 1.00 0.00 H new ATOM 800 N PRO A 56 -4.662 1.069 11.422 1.00 0.00 N ATOM 801 CA PRO A 56 -3.625 1.237 10.399 1.00 0.00 C ATOM 802 C PRO A 56 -2.390 0.388 10.681 1.00 0.00 C ATOM 803 O PRO A 56 -1.953 0.273 11.827 1.00 0.00 O ATOM 804 CB PRO A 56 -3.281 2.726 10.484 1.00 0.00 C ATOM 805 CG PRO A 56 -3.638 3.119 11.876 1.00 0.00 C ATOM 806 CD PRO A 56 -4.823 2.274 12.253 1.00 0.00 C ATOM 0 HA PRO A 56 -3.969 0.920 9.414 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.224 2.900 10.282 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.845 3.305 9.752 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.804 2.947 12.556 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.882 4.180 11.932 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.822 2.032 13.316 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.763 2.784 12.043 1.00 0.00 H new ATOM 814 N ARG A 57 -1.832 -0.204 9.631 1.00 0.00 N ATOM 815 CA ARG A 57 -0.648 -1.043 9.766 1.00 0.00 C ATOM 816 C ARG A 57 0.164 -1.051 8.474 1.00 0.00 C ATOM 817 O ARG A 57 -0.395 -1.000 7.379 1.00 0.00 O ATOM 818 CB ARG A 57 -1.049 -2.472 10.138 1.00 0.00 C ATOM 819 CG ARG A 57 -1.535 -3.295 8.957 1.00 0.00 C ATOM 820 CD ARG A 57 -2.952 -2.914 8.558 1.00 0.00 C ATOM 821 NE ARG A 57 -3.953 -3.616 9.357 1.00 0.00 N ATOM 822 CZ ARG A 57 -4.258 -4.898 9.192 1.00 0.00 C ATOM 823 NH1 ARG A 57 -3.643 -5.615 8.261 1.00 0.00 N ATOM 824 NH2 ARG A 57 -5.180 -5.466 9.958 1.00 0.00 N ATOM 0 H ARG A 57 -2.181 -0.118 8.676 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.029 -0.628 10.561 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.194 -2.973 10.592 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.835 -2.435 10.892 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.865 -3.148 8.110 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.500 -4.354 9.211 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.085 -1.838 8.674 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -3.105 -3.142 7.503 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.445 -3.093 10.081 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.934 -5.182 7.670 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.879 -6.599 8.137 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.656 -4.918 10.675 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.413 -6.451 9.830 1.00 0.00 H new ATOM 838 N GLU A 58 1.485 -1.116 8.611 1.00 0.00 N ATOM 839 CA GLU A 58 2.372 -1.129 7.454 1.00 0.00 C ATOM 840 C GLU A 58 2.221 -2.428 6.667 1.00 0.00 C ATOM 841 O GLU A 58 2.737 -3.472 7.066 1.00 0.00 O ATOM 842 CB GLU A 58 3.826 -0.955 7.897 1.00 0.00 C ATOM 843 CG GLU A 58 4.835 -1.210 6.790 1.00 0.00 C ATOM 844 CD GLU A 58 6.268 -1.166 7.284 1.00 0.00 C ATOM 845 OE1 GLU A 58 6.572 -0.314 8.145 1.00 0.00 O ATOM 846 OE2 GLU A 58 7.085 -1.982 6.810 1.00 0.00 O ATOM 0 H GLU A 58 1.964 -1.160 9.511 1.00 0.00 H new ATOM 0 HA GLU A 58 2.095 -0.297 6.806 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.963 0.058 8.275 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.028 -1.634 8.725 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.639 -2.184 6.342 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.703 -0.466 6.005 1.00 0.00 H new ATOM 853 N VAL A 59 1.508 -2.355 5.548 1.00 0.00 N ATOM 854 CA VAL A 59 1.288 -3.523 4.704 1.00 0.00 C ATOM 855 C VAL A 59 2.305 -3.580 3.569 1.00 0.00 C ATOM 856 O VAL A 59 2.456 -4.608 2.908 1.00 0.00 O ATOM 857 CB VAL A 59 -0.132 -3.525 4.107 1.00 0.00 C ATOM 858 CG1 VAL A 59 -1.175 -3.482 5.213 1.00 0.00 C ATOM 859 CG2 VAL A 59 -0.309 -2.357 3.149 1.00 0.00 C ATOM 0 H VAL A 59 1.073 -1.499 5.205 1.00 0.00 H new ATOM 0 HA VAL A 59 1.408 -4.400 5.340 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.271 -4.449 3.545 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.172 -3.484 4.773 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.060 -4.355 5.856 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.041 -2.576 5.804 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.318 -2.374 2.737 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.152 -1.420 3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.415 -2.438 2.339 1.00 0.00 H new ATOM 869 N TYR A 60 2.999 -2.469 3.348 1.00 0.00 N ATOM 870 CA TYR A 60 4.000 -2.392 2.290 1.00 0.00 C ATOM 871 C TYR A 60 4.997 -1.270 2.566 1.00 0.00 C ATOM 872 O TYR A 60 4.662 -0.270 3.200 1.00 0.00 O ATOM 873 CB TYR A 60 3.326 -2.169 0.936 1.00 0.00 C ATOM 874 CG TYR A 60 4.281 -2.238 -0.235 1.00 0.00 C ATOM 875 CD1 TYR A 60 4.613 -3.457 -0.814 1.00 0.00 C ATOM 876 CD2 TYR A 60 4.852 -1.086 -0.760 1.00 0.00 C ATOM 877 CE1 TYR A 60 5.485 -3.525 -1.883 1.00 0.00 C ATOM 878 CE2 TYR A 60 5.724 -1.145 -1.830 1.00 0.00 C ATOM 879 CZ TYR A 60 6.038 -2.367 -2.388 1.00 0.00 C ATOM 880 OH TYR A 60 6.907 -2.429 -3.452 1.00 0.00 O ATOM 0 H TYR A 60 2.887 -1.610 3.887 1.00 0.00 H new ATOM 0 HA TYR A 60 4.541 -3.338 2.266 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.544 -2.917 0.801 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.838 -1.195 0.939 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.182 -4.366 -0.422 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.610 -0.128 -0.324 1.00 0.00 H new ATOM 0 HE1 TYR A 60 5.733 -4.481 -2.321 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.158 -0.239 -2.228 1.00 0.00 H new ATOM 0 HH TYR A 60 6.680 -3.198 -4.015 1.00 0.00 H new ATOM 890 N GLN A 61 6.223 -1.445 2.083 1.00 0.00 N ATOM 891 CA GLN A 61 7.269 -0.447 2.276 1.00 0.00 C ATOM 892 C GLN A 61 8.502 -0.784 1.445 1.00 0.00 C ATOM 893 O GLN A 61 9.172 -1.787 1.688 1.00 0.00 O ATOM 894 CB GLN A 61 7.646 -0.354 3.756 1.00 0.00 C ATOM 895 CG GLN A 61 8.419 0.907 4.108 1.00 0.00 C ATOM 896 CD GLN A 61 8.673 1.039 5.597 1.00 0.00 C ATOM 897 OE1 GLN A 61 9.573 0.401 6.143 1.00 0.00 O ATOM 898 NE2 GLN A 61 7.880 1.871 6.262 1.00 0.00 N ATOM 0 H GLN A 61 6.516 -2.267 1.556 1.00 0.00 H new ATOM 0 HA GLN A 61 6.883 0.517 1.945 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.738 -0.393 4.357 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.244 -1.224 4.026 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.372 0.904 3.580 1.00 0.00 H new ATOM 0 HG3 GLN A 61 7.864 1.778 3.759 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.146 2.380 5.769 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.005 2.001 7.266 1.00 0.00 H new ATOM 907 N GLY A 62 8.797 0.061 0.462 1.00 0.00 N ATOM 908 CA GLY A 62 9.949 -0.164 -0.390 1.00 0.00 C ATOM 909 C GLY A 62 10.291 1.046 -1.236 1.00 0.00 C ATOM 910 O GLY A 62 10.278 2.176 -0.749 1.00 0.00 O ATOM 0 H GLY A 62 8.258 0.898 0.241 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.808 -0.426 0.228 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.754 -1.016 -1.042 1.00 0.00 H new ATOM 914 N SER A 63 10.598 0.810 -2.508 1.00 0.00 N ATOM 915 CA SER A 63 10.950 1.889 -3.423 1.00 0.00 C ATOM 916 C SER A 63 10.014 1.907 -4.627 1.00 0.00 C ATOM 917 O SER A 63 9.947 2.894 -5.359 1.00 0.00 O ATOM 918 CB SER A 63 12.399 1.738 -3.890 1.00 0.00 C ATOM 919 OG SER A 63 12.599 0.492 -4.536 1.00 0.00 O ATOM 0 H SER A 63 10.610 -0.119 -2.928 1.00 0.00 H new ATOM 0 HA SER A 63 10.845 2.834 -2.889 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.651 2.550 -4.572 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.070 1.820 -3.035 1.00 0.00 H new ATOM 0 HG SER A 63 12.049 0.451 -5.346 1.00 0.00 H new ATOM 925 N GLU A 64 9.295 0.807 -4.826 1.00 0.00 N ATOM 926 CA GLU A 64 8.363 0.696 -5.943 1.00 0.00 C ATOM 927 C GLU A 64 7.084 1.481 -5.664 1.00 0.00 C ATOM 928 O GLU A 64 6.869 1.966 -4.553 1.00 0.00 O ATOM 929 CB GLU A 64 8.026 -0.772 -6.210 1.00 0.00 C ATOM 930 CG GLU A 64 9.246 -1.641 -6.463 1.00 0.00 C ATOM 931 CD GLU A 64 10.257 -0.975 -7.376 1.00 0.00 C ATOM 932 OE1 GLU A 64 11.097 -0.203 -6.868 1.00 0.00 O ATOM 933 OE2 GLU A 64 10.209 -1.226 -8.598 1.00 0.00 O ATOM 0 H GLU A 64 9.339 -0.019 -4.229 1.00 0.00 H new ATOM 0 HA GLU A 64 8.842 1.118 -6.827 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.477 -1.171 -5.357 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.362 -0.832 -7.073 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.722 -1.878 -5.512 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.929 -2.586 -6.905 1.00 0.00 H new ATOM 940 N VAL A 65 6.238 1.602 -6.682 1.00 0.00 N ATOM 941 CA VAL A 65 4.981 2.327 -6.549 1.00 0.00 C ATOM 942 C VAL A 65 3.792 1.432 -6.879 1.00 0.00 C ATOM 943 O VAL A 65 2.747 1.908 -7.321 1.00 0.00 O ATOM 944 CB VAL A 65 4.946 3.565 -7.465 1.00 0.00 C ATOM 945 CG1 VAL A 65 6.138 4.468 -7.187 1.00 0.00 C ATOM 946 CG2 VAL A 65 4.914 3.145 -8.926 1.00 0.00 C ATOM 0 H VAL A 65 6.401 1.207 -7.608 1.00 0.00 H new ATOM 0 HA VAL A 65 4.912 2.650 -5.510 1.00 0.00 H new ATOM 0 HB VAL A 65 4.037 4.128 -7.253 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.097 5.337 -7.843 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.111 4.796 -6.148 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.061 3.919 -7.370 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.889 4.032 -9.559 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.804 2.560 -9.156 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.025 2.542 -9.112 1.00 0.00 H new ATOM 956 N GLU A 66 3.960 0.131 -6.660 1.00 0.00 N ATOM 957 CA GLU A 66 2.900 -0.832 -6.935 1.00 0.00 C ATOM 958 C GLU A 66 3.129 -2.128 -6.163 1.00 0.00 C ATOM 959 O GLU A 66 4.215 -2.707 -6.210 1.00 0.00 O ATOM 960 CB GLU A 66 2.822 -1.125 -8.435 1.00 0.00 C ATOM 961 CG GLU A 66 4.122 -1.651 -9.019 1.00 0.00 C ATOM 962 CD GLU A 66 4.067 -1.795 -10.528 1.00 0.00 C ATOM 963 OE1 GLU A 66 3.224 -1.121 -11.157 1.00 0.00 O ATOM 964 OE2 GLU A 66 4.866 -2.580 -11.080 1.00 0.00 O ATOM 0 H GLU A 66 4.819 -0.279 -6.294 1.00 0.00 H new ATOM 0 HA GLU A 66 1.955 -0.397 -6.608 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.032 -1.854 -8.614 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.540 -0.213 -8.961 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.935 -0.977 -8.751 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.351 -2.619 -8.573 1.00 0.00 H new ATOM 971 N CYS A 67 2.100 -2.578 -5.454 1.00 0.00 N ATOM 972 CA CYS A 67 2.188 -3.805 -4.671 1.00 0.00 C ATOM 973 C CYS A 67 0.826 -4.483 -4.567 1.00 0.00 C ATOM 974 O CYS A 67 -0.153 -4.031 -5.162 1.00 0.00 O ATOM 975 CB CYS A 67 2.730 -3.504 -3.272 1.00 0.00 C ATOM 976 SG CYS A 67 1.462 -3.010 -2.081 1.00 0.00 S ATOM 0 H CYS A 67 1.194 -2.111 -5.405 1.00 0.00 H new ATOM 0 HA CYS A 67 2.873 -4.483 -5.180 1.00 0.00 H new ATOM 0 HB2 CYS A 67 3.243 -4.388 -2.895 1.00 0.00 H new ATOM 0 HB3 CYS A 67 3.474 -2.711 -3.345 1.00 0.00 H new ATOM 0 HG CYS A 67 1.912 -2.036 -1.347 1.00 0.00 H new ATOM 982 N THR A 68 0.770 -5.573 -3.808 1.00 0.00 N ATOM 983 CA THR A 68 -0.471 -6.316 -3.628 1.00 0.00 C ATOM 984 C THR A 68 -0.694 -6.668 -2.161 1.00 0.00 C ATOM 985 O THR A 68 0.103 -7.386 -1.557 1.00 0.00 O ATOM 986 CB THR A 68 -0.476 -7.611 -4.461 1.00 0.00 C ATOM 987 OG1 THR A 68 -0.375 -7.298 -5.855 1.00 0.00 O ATOM 988 CG2 THR A 68 -1.744 -8.413 -4.208 1.00 0.00 C ATOM 0 H THR A 68 1.570 -5.961 -3.308 1.00 0.00 H new ATOM 0 HA THR A 68 -1.279 -5.669 -3.970 1.00 0.00 H new ATOM 0 HB THR A 68 0.382 -8.212 -4.161 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.643 -6.367 -6.001 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.725 -9.323 -4.807 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.804 -8.675 -3.152 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.613 -7.816 -4.483 1.00 0.00 H new ATOM 996 N VAL A 69 -1.783 -6.159 -1.594 1.00 0.00 N ATOM 997 CA VAL A 69 -2.111 -6.421 -0.198 1.00 0.00 C ATOM 998 C VAL A 69 -2.814 -7.765 -0.042 1.00 0.00 C ATOM 999 O VAL A 69 -3.461 -8.250 -0.970 1.00 0.00 O ATOM 1000 CB VAL A 69 -3.009 -5.313 0.385 1.00 0.00 C ATOM 1001 CG1 VAL A 69 -3.073 -5.421 1.901 1.00 0.00 C ATOM 1002 CG2 VAL A 69 -2.507 -3.942 -0.040 1.00 0.00 C ATOM 0 H VAL A 69 -2.453 -5.563 -2.080 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.169 -6.441 0.350 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.018 -5.442 -0.007 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.712 -4.631 2.295 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.483 -6.392 2.180 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.070 -5.318 2.316 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.153 -3.171 0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.489 -3.799 0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.519 -3.871 -1.128 1.00 0.00 H new ATOM 1012 N SER A 70 -2.684 -8.361 1.139 1.00 0.00 N ATOM 1013 CA SER A 70 -3.305 -9.651 1.416 1.00 0.00 C ATOM 1014 C SER A 70 -3.760 -9.733 2.870 1.00 0.00 C ATOM 1015 O SER A 70 -3.616 -8.778 3.632 1.00 0.00 O ATOM 1016 CB SER A 70 -2.326 -10.787 1.111 1.00 0.00 C ATOM 1017 OG SER A 70 -1.283 -10.832 2.069 1.00 0.00 O ATOM 0 H SER A 70 -2.155 -7.971 1.919 1.00 0.00 H new ATOM 0 HA SER A 70 -4.180 -9.752 0.773 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.858 -11.738 1.104 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.904 -10.650 0.115 1.00 0.00 H new ATOM 0 HG SER A 70 -0.672 -11.567 1.853 1.00 0.00 H new ATOM 1023 N SER A 71 -4.312 -10.883 3.246 1.00 0.00 N ATOM 1024 CA SER A 71 -4.793 -11.090 4.607 1.00 0.00 C ATOM 1025 C SER A 71 -6.002 -10.205 4.897 1.00 0.00 C ATOM 1026 O SER A 71 -6.201 -9.756 6.027 1.00 0.00 O ATOM 1027 CB SER A 71 -3.679 -10.798 5.615 1.00 0.00 C ATOM 1028 OG SER A 71 -3.965 -11.382 6.874 1.00 0.00 O ATOM 0 H SER A 71 -4.437 -11.685 2.628 1.00 0.00 H new ATOM 0 HA SER A 71 -5.096 -12.132 4.704 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.732 -11.185 5.238 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.560 -9.720 5.729 1.00 0.00 H new ATOM 0 HG SER A 71 -4.855 -11.100 7.171 1.00 0.00 H new ATOM 1034 N LEU A 72 -6.806 -9.958 3.869 1.00 0.00 N ATOM 1035 CA LEU A 72 -7.996 -9.127 4.011 1.00 0.00 C ATOM 1036 C LEU A 72 -9.262 -9.977 3.975 1.00 0.00 C ATOM 1037 O LEU A 72 -9.210 -11.176 3.696 1.00 0.00 O ATOM 1038 CB LEU A 72 -8.043 -8.075 2.902 1.00 0.00 C ATOM 1039 CG LEU A 72 -6.703 -7.449 2.513 1.00 0.00 C ATOM 1040 CD1 LEU A 72 -6.865 -6.556 1.293 1.00 0.00 C ATOM 1041 CD2 LEU A 72 -6.123 -6.663 3.679 1.00 0.00 C ATOM 0 H LEU A 72 -6.655 -10.321 2.928 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.945 -8.625 4.977 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.479 -8.532 2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.717 -7.277 3.214 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.009 -8.251 2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.901 -6.119 1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.235 -7.148 0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.575 -5.760 1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.170 -6.225 3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.815 -5.870 3.963 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.969 -7.330 4.527 1.00 0.00 H new ATOM 1053 N LEU A 73 -10.398 -9.350 4.256 1.00 0.00 N ATOM 1054 CA LEU A 73 -11.679 -10.048 4.254 1.00 0.00 C ATOM 1055 C LEU A 73 -12.506 -9.665 3.031 1.00 0.00 C ATOM 1056 O LEU A 73 -12.595 -8.496 2.652 1.00 0.00 O ATOM 1057 CB LEU A 73 -12.459 -9.729 5.531 1.00 0.00 C ATOM 1058 CG LEU A 73 -11.724 -9.986 6.847 1.00 0.00 C ATOM 1059 CD1 LEU A 73 -12.515 -9.422 8.018 1.00 0.00 C ATOM 1060 CD2 LEU A 73 -11.475 -11.475 7.037 1.00 0.00 C ATOM 0 H LEU A 73 -10.459 -8.359 4.488 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.480 -11.119 4.215 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -12.753 -8.680 5.501 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.377 -10.317 5.529 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.760 -9.479 6.808 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -11.977 -9.614 8.946 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.642 -8.347 7.888 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.494 -9.900 8.060 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.951 -11.639 7.979 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.428 -12.004 7.055 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.867 -11.850 6.214 1.00 0.00 H new ATOM 1072 N PRO A 74 -13.128 -10.670 2.398 1.00 0.00 N ATOM 1073 CA PRO A 74 -13.961 -10.463 1.209 1.00 0.00 C ATOM 1074 C PRO A 74 -15.260 -9.733 1.533 1.00 0.00 C ATOM 1075 O PRO A 74 -15.762 -9.805 2.654 1.00 0.00 O ATOM 1076 CB PRO A 74 -14.253 -11.886 0.728 1.00 0.00 C ATOM 1077 CG PRO A 74 -14.130 -12.732 1.948 1.00 0.00 C ATOM 1078 CD PRO A 74 -13.066 -12.087 2.793 1.00 0.00 C ATOM 0 HA PRO A 74 -13.463 -9.841 0.465 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.250 -11.960 0.294 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.546 -12.196 -0.042 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -15.077 -12.783 2.485 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.856 -13.754 1.688 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.265 -12.216 3.857 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.083 -12.516 2.598 1.00 0.00 H new ATOM 1086 N GLY A 75 -15.801 -9.030 0.542 1.00 0.00 N ATOM 1087 CA GLY A 75 -17.038 -8.297 0.742 1.00 0.00 C ATOM 1088 C GLY A 75 -16.911 -7.225 1.806 1.00 0.00 C ATOM 1089 O GLY A 75 -17.903 -6.819 2.411 1.00 0.00 O ATOM 0 H GLY A 75 -15.405 -8.955 -0.395 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.340 -7.837 -0.199 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.828 -8.993 1.024 1.00 0.00 H new ATOM 1093 N LYS A 76 -15.686 -6.764 2.037 1.00 0.00 N ATOM 1094 CA LYS A 76 -15.431 -5.733 3.035 1.00 0.00 C ATOM 1095 C LYS A 76 -14.585 -4.606 2.450 1.00 0.00 C ATOM 1096 O LYS A 76 -13.752 -4.833 1.572 1.00 0.00 O ATOM 1097 CB LYS A 76 -14.726 -6.335 4.252 1.00 0.00 C ATOM 1098 CG LYS A 76 -15.666 -7.053 5.206 1.00 0.00 C ATOM 1099 CD LYS A 76 -16.485 -6.071 6.027 1.00 0.00 C ATOM 1100 CE LYS A 76 -15.728 -5.611 7.264 1.00 0.00 C ATOM 1101 NZ LYS A 76 -14.908 -4.398 6.993 1.00 0.00 N ATOM 0 H LYS A 76 -14.854 -7.089 1.545 1.00 0.00 H new ATOM 0 HA LYS A 76 -16.390 -5.319 3.346 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.964 -7.035 3.910 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -14.210 -5.541 4.792 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -16.335 -7.702 4.640 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -15.089 -7.694 5.873 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.741 -5.207 5.414 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -17.423 -6.539 6.326 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -16.436 -5.399 8.065 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.082 -6.416 7.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -13.899 -4.635 7.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -15.103 -4.055 6.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.148 -3.656 7.681 1.00 0.00 H new ATOM 1115 N THR A 77 -14.803 -3.391 2.944 1.00 0.00 N ATOM 1116 CA THR A 77 -14.061 -2.230 2.470 1.00 0.00 C ATOM 1117 C THR A 77 -12.865 -1.938 3.370 1.00 0.00 C ATOM 1118 O THR A 77 -12.857 -2.300 4.546 1.00 0.00 O ATOM 1119 CB THR A 77 -14.957 -0.979 2.405 1.00 0.00 C ATOM 1120 OG1 THR A 77 -16.047 -1.204 1.504 1.00 0.00 O ATOM 1121 CG2 THR A 77 -14.159 0.235 1.951 1.00 0.00 C ATOM 0 H THR A 77 -15.487 -3.186 3.672 1.00 0.00 H new ATOM 0 HA THR A 77 -13.708 -2.468 1.466 1.00 0.00 H new ATOM 0 HB THR A 77 -15.346 -0.785 3.404 1.00 0.00 H new ATOM 0 HG1 THR A 77 -16.613 -0.405 1.469 1.00 0.00 H new ATOM 0 HG21 THR A 77 -14.813 1.106 1.913 1.00 0.00 H new ATOM 0 HG22 THR A 77 -13.347 0.421 2.655 1.00 0.00 H new ATOM 0 HG23 THR A 77 -13.745 0.048 0.960 1.00 0.00 H new ATOM 1129 N TYR A 78 -11.856 -1.280 2.809 1.00 0.00 N ATOM 1130 CA TYR A 78 -10.653 -0.941 3.561 1.00 0.00 C ATOM 1131 C TYR A 78 -10.039 0.358 3.048 1.00 0.00 C ATOM 1132 O TYR A 78 -9.856 0.539 1.844 1.00 0.00 O ATOM 1133 CB TYR A 78 -9.630 -2.074 3.465 1.00 0.00 C ATOM 1134 CG TYR A 78 -9.999 -3.293 4.282 1.00 0.00 C ATOM 1135 CD1 TYR A 78 -10.980 -4.175 3.847 1.00 0.00 C ATOM 1136 CD2 TYR A 78 -9.364 -3.562 5.488 1.00 0.00 C ATOM 1137 CE1 TYR A 78 -11.320 -5.288 4.590 1.00 0.00 C ATOM 1138 CE2 TYR A 78 -9.697 -4.674 6.238 1.00 0.00 C ATOM 1139 CZ TYR A 78 -10.675 -5.534 5.784 1.00 0.00 C ATOM 1140 OH TYR A 78 -11.010 -6.643 6.527 1.00 0.00 O ATOM 0 H TYR A 78 -11.847 -0.971 1.837 1.00 0.00 H new ATOM 0 HA TYR A 78 -10.934 -0.802 4.605 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -9.521 -2.366 2.421 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.659 -1.705 3.796 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -11.486 -3.987 2.911 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.597 -2.891 5.845 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -12.087 -5.962 4.238 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -9.194 -4.868 7.174 1.00 0.00 H new ATOM 0 HH TYR A 78 -10.462 -6.670 7.339 1.00 0.00 H new ATOM 1150 N SER A 79 -9.722 1.260 3.972 1.00 0.00 N ATOM 1151 CA SER A 79 -9.131 2.544 3.615 1.00 0.00 C ATOM 1152 C SER A 79 -7.614 2.432 3.503 1.00 0.00 C ATOM 1153 O SER A 79 -6.927 2.149 4.484 1.00 0.00 O ATOM 1154 CB SER A 79 -9.500 3.605 4.653 1.00 0.00 C ATOM 1155 OG SER A 79 -8.555 3.636 5.709 1.00 0.00 O ATOM 0 H SER A 79 -9.865 1.125 4.973 1.00 0.00 H new ATOM 0 HA SER A 79 -9.528 2.841 2.644 1.00 0.00 H new ATOM 0 HB2 SER A 79 -9.549 4.584 4.176 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.492 3.396 5.054 1.00 0.00 H new ATOM 0 HG SER A 79 -7.964 2.857 5.642 1.00 0.00 H new ATOM 1161 N PHE A 80 -7.098 2.655 2.299 1.00 0.00 N ATOM 1162 CA PHE A 80 -5.662 2.578 2.056 1.00 0.00 C ATOM 1163 C PHE A 80 -5.046 3.972 1.990 1.00 0.00 C ATOM 1164 O PHE A 80 -5.713 4.940 1.626 1.00 0.00 O ATOM 1165 CB PHE A 80 -5.383 1.822 0.755 1.00 0.00 C ATOM 1166 CG PHE A 80 -5.764 0.370 0.811 1.00 0.00 C ATOM 1167 CD1 PHE A 80 -7.077 -0.023 0.608 1.00 0.00 C ATOM 1168 CD2 PHE A 80 -4.810 -0.601 1.067 1.00 0.00 C ATOM 1169 CE1 PHE A 80 -7.431 -1.358 0.660 1.00 0.00 C ATOM 1170 CE2 PHE A 80 -5.157 -1.938 1.119 1.00 0.00 C ATOM 1171 CZ PHE A 80 -6.469 -2.317 0.915 1.00 0.00 C ATOM 0 H PHE A 80 -7.653 2.891 1.476 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.207 2.038 2.886 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.928 2.301 -0.058 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.322 1.902 0.518 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -7.832 0.722 0.407 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.782 -0.310 1.228 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -8.458 -1.651 0.502 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.403 -2.685 1.319 1.00 0.00 H new ATOM 0 HZ PHE A 80 -6.743 -3.361 0.955 1.00 0.00 H new ATOM 1181 N ARG A 81 -3.769 4.066 2.345 1.00 0.00 N ATOM 1182 CA ARG A 81 -3.062 5.341 2.328 1.00 0.00 C ATOM 1183 C ARG A 81 -1.692 5.195 1.672 1.00 0.00 C ATOM 1184 O ARG A 81 -1.326 4.114 1.210 1.00 0.00 O ATOM 1185 CB ARG A 81 -2.903 5.879 3.751 1.00 0.00 C ATOM 1186 CG ARG A 81 -4.051 6.769 4.198 1.00 0.00 C ATOM 1187 CD ARG A 81 -4.302 6.648 5.693 1.00 0.00 C ATOM 1188 NE ARG A 81 -3.253 7.294 6.477 1.00 0.00 N ATOM 1189 CZ ARG A 81 -3.380 7.597 7.765 1.00 0.00 C ATOM 1190 NH1 ARG A 81 -4.503 7.313 8.409 1.00 0.00 N ATOM 1191 NH2 ARG A 81 -2.380 8.184 8.411 1.00 0.00 N ATOM 0 H ARG A 81 -3.202 3.274 2.648 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.652 6.047 1.743 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.816 5.039 4.440 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.972 6.442 3.816 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -3.827 7.806 3.949 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.956 6.499 3.653 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.265 7.097 5.937 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.363 5.595 5.967 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.376 7.525 6.011 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.273 6.861 7.916 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.597 7.547 9.397 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.514 8.403 7.919 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.478 8.416 9.399 1.00 0.00 H new ATOM 1205 N LEU A 82 -0.941 6.290 1.634 1.00 0.00 N ATOM 1206 CA LEU A 82 0.389 6.284 1.034 1.00 0.00 C ATOM 1207 C LEU A 82 1.231 7.439 1.566 1.00 0.00 C ATOM 1208 O LEU A 82 0.713 8.521 1.846 1.00 0.00 O ATOM 1209 CB LEU A 82 0.283 6.375 -0.489 1.00 0.00 C ATOM 1210 CG LEU A 82 1.604 6.507 -1.247 1.00 0.00 C ATOM 1211 CD1 LEU A 82 2.392 5.208 -1.178 1.00 0.00 C ATOM 1212 CD2 LEU A 82 1.351 6.904 -2.694 1.00 0.00 C ATOM 0 H LEU A 82 -1.230 7.193 2.011 1.00 0.00 H new ATOM 0 HA LEU A 82 0.878 5.348 1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.233 5.486 -0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.343 7.231 -0.739 1.00 0.00 H new ATOM 0 HG LEU A 82 2.195 7.291 -0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.329 5.321 -1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.605 4.967 -0.137 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.807 4.404 -1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.302 6.993 -3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.740 6.143 -3.179 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.829 7.861 -2.723 1.00 0.00 H new ATOM 1224 N ARG A 83 2.532 7.203 1.702 1.00 0.00 N ATOM 1225 CA ARG A 83 3.446 8.224 2.200 1.00 0.00 C ATOM 1226 C ARG A 83 4.857 7.998 1.665 1.00 0.00 C ATOM 1227 O ARG A 83 5.351 6.871 1.647 1.00 0.00 O ATOM 1228 CB ARG A 83 3.463 8.222 3.729 1.00 0.00 C ATOM 1229 CG ARG A 83 4.176 7.021 4.329 1.00 0.00 C ATOM 1230 CD ARG A 83 4.390 7.190 5.825 1.00 0.00 C ATOM 1231 NE ARG A 83 4.801 5.943 6.464 1.00 0.00 N ATOM 1232 CZ ARG A 83 5.206 5.863 7.726 1.00 0.00 C ATOM 1233 NH1 ARG A 83 5.254 6.951 8.482 1.00 0.00 N ATOM 1234 NH2 ARG A 83 5.565 4.691 8.236 1.00 0.00 N ATOM 0 H ARG A 83 2.977 6.314 1.474 1.00 0.00 H new ATOM 0 HA ARG A 83 3.093 9.194 1.849 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.947 9.134 4.080 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.437 8.245 4.095 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.592 6.120 4.144 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.138 6.884 3.836 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.149 7.953 5.999 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.468 7.546 6.285 1.00 0.00 H new ATOM 0 HE ARG A 83 4.776 5.087 5.911 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.979 7.854 8.095 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.566 6.885 9.451 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.530 3.851 7.658 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.876 4.630 9.206 1.00 0.00 H new ATOM 1248 N ALA A 84 5.499 9.077 1.229 1.00 0.00 N ATOM 1249 CA ALA A 84 6.853 8.997 0.695 1.00 0.00 C ATOM 1250 C ALA A 84 7.875 9.487 1.714 1.00 0.00 C ATOM 1251 O ALA A 84 7.581 10.360 2.531 1.00 0.00 O ATOM 1252 CB ALA A 84 6.961 9.800 -0.593 1.00 0.00 C ATOM 0 H ALA A 84 5.103 10.017 1.235 1.00 0.00 H new ATOM 0 HA ALA A 84 7.070 7.951 0.477 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.977 9.731 -0.980 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.264 9.401 -1.330 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.719 10.844 -0.392 1.00 0.00 H new ATOM 1258 N ALA A 85 9.076 8.921 1.661 1.00 0.00 N ATOM 1259 CA ALA A 85 10.142 9.302 2.579 1.00 0.00 C ATOM 1260 C ALA A 85 11.403 9.701 1.820 1.00 0.00 C ATOM 1261 O ALA A 85 11.691 9.166 0.751 1.00 0.00 O ATOM 1262 CB ALA A 85 10.441 8.163 3.542 1.00 0.00 C ATOM 0 H ALA A 85 9.335 8.196 0.991 1.00 0.00 H new ATOM 0 HA ALA A 85 9.805 10.167 3.150 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.239 8.461 4.222 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.545 7.927 4.116 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.754 7.283 2.979 1.00 0.00 H new ATOM 1268 N ASN A 86 12.152 10.645 2.381 1.00 0.00 N ATOM 1269 CA ASN A 86 13.382 11.117 1.756 1.00 0.00 C ATOM 1270 C ASN A 86 14.487 11.293 2.794 1.00 0.00 C ATOM 1271 O ASN A 86 14.310 10.963 3.967 1.00 0.00 O ATOM 1272 CB ASN A 86 13.135 12.440 1.029 1.00 0.00 C ATOM 1273 CG ASN A 86 12.498 13.483 1.926 1.00 0.00 C ATOM 1274 OD1 ASN A 86 12.447 13.321 3.146 1.00 0.00 O ATOM 1275 ND2 ASN A 86 12.008 14.561 1.325 1.00 0.00 N ATOM 0 H ASN A 86 11.929 11.098 3.267 1.00 0.00 H new ATOM 0 HA ASN A 86 13.703 10.367 1.033 1.00 0.00 H new ATOM 0 HB2 ASN A 86 14.081 12.823 0.646 1.00 0.00 H new ATOM 0 HB3 ASN A 86 12.491 12.263 0.168 1.00 0.00 H new ATOM 0 HD21 ASN A 86 11.567 15.297 1.877 1.00 0.00 H new ATOM 0 HD22 ASN A 86 12.072 14.653 0.311 1.00 0.00 H new ATOM 1282 N LYS A 87 15.626 11.816 2.354 1.00 0.00 N ATOM 1283 CA LYS A 87 16.760 12.039 3.244 1.00 0.00 C ATOM 1284 C LYS A 87 16.306 12.670 4.556 1.00 0.00 C ATOM 1285 O LYS A 87 16.958 12.516 5.588 1.00 0.00 O ATOM 1286 CB LYS A 87 17.798 12.937 2.566 1.00 0.00 C ATOM 1287 CG LYS A 87 17.202 14.177 1.923 1.00 0.00 C ATOM 1288 CD LYS A 87 18.242 15.272 1.755 1.00 0.00 C ATOM 1289 CE LYS A 87 17.620 16.655 1.877 1.00 0.00 C ATOM 1290 NZ LYS A 87 18.322 17.656 1.027 1.00 0.00 N ATOM 0 H LYS A 87 15.789 12.094 1.386 1.00 0.00 H new ATOM 0 HA LYS A 87 17.213 11.072 3.464 1.00 0.00 H new ATOM 0 HB2 LYS A 87 18.540 13.242 3.304 1.00 0.00 H new ATOM 0 HB3 LYS A 87 18.323 12.360 1.805 1.00 0.00 H new ATOM 0 HG2 LYS A 87 16.784 13.918 0.950 1.00 0.00 H new ATOM 0 HG3 LYS A 87 16.379 14.546 2.535 1.00 0.00 H new ATOM 0 HD2 LYS A 87 19.021 15.154 2.509 1.00 0.00 H new ATOM 0 HD3 LYS A 87 18.723 15.173 0.782 1.00 0.00 H new ATOM 0 HE2 LYS A 87 16.570 16.607 1.590 1.00 0.00 H new ATOM 0 HE3 LYS A 87 17.651 16.977 2.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 18.099 18.614 1.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 19.349 17.500 1.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 18.009 17.554 0.040 1.00 0.00 H new ATOM 1304 N MET A 88 15.183 13.380 4.509 1.00 0.00 N ATOM 1305 CA MET A 88 14.641 14.032 5.696 1.00 0.00 C ATOM 1306 C MET A 88 13.867 13.038 6.556 1.00 0.00 C ATOM 1307 O MET A 88 14.215 12.801 7.712 1.00 0.00 O ATOM 1308 CB MET A 88 13.731 15.194 5.294 1.00 0.00 C ATOM 1309 CG MET A 88 14.446 16.284 4.513 1.00 0.00 C ATOM 1310 SD MET A 88 15.724 17.109 5.481 1.00 0.00 S ATOM 1311 CE MET A 88 17.153 16.108 5.077 1.00 0.00 C ATOM 0 H MET A 88 14.631 13.518 3.662 1.00 0.00 H new ATOM 0 HA MET A 88 15.475 14.419 6.281 1.00 0.00 H new ATOM 0 HB2 MET A 88 12.907 14.809 4.693 1.00 0.00 H new ATOM 0 HB3 MET A 88 13.293 15.630 6.192 1.00 0.00 H new ATOM 0 HG2 MET A 88 14.896 15.850 3.620 1.00 0.00 H new ATOM 0 HG3 MET A 88 13.718 17.022 4.177 1.00 0.00 H new ATOM 0 HE1 MET A 88 17.449 15.528 5.951 1.00 0.00 H new ATOM 0 HE2 MET A 88 16.904 15.431 4.259 1.00 0.00 H new ATOM 0 HE3 MET A 88 17.977 16.755 4.775 1.00 0.00 H new ATOM 1321 N GLY A 89 12.816 12.460 5.984 1.00 0.00 N ATOM 1322 CA GLY A 89 12.009 11.499 6.714 1.00 0.00 C ATOM 1323 C GLY A 89 10.696 11.197 6.019 1.00 0.00 C ATOM 1324 O GLY A 89 10.526 11.502 4.838 1.00 0.00 O ATOM 0 H GLY A 89 12.508 12.640 5.028 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.573 10.574 6.836 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.807 11.884 7.714 1.00 0.00 H new ATOM 1328 N PHE A 90 9.766 10.594 6.751 1.00 0.00 N ATOM 1329 CA PHE A 90 8.462 10.248 6.197 1.00 0.00 C ATOM 1330 C PHE A 90 7.480 11.405 6.354 1.00 0.00 C ATOM 1331 O PHE A 90 7.377 12.006 7.423 1.00 0.00 O ATOM 1332 CB PHE A 90 7.909 8.997 6.883 1.00 0.00 C ATOM 1333 CG PHE A 90 8.374 7.714 6.256 1.00 0.00 C ATOM 1334 CD1 PHE A 90 7.687 7.159 5.189 1.00 0.00 C ATOM 1335 CD2 PHE A 90 9.500 7.062 6.735 1.00 0.00 C ATOM 1336 CE1 PHE A 90 8.113 5.979 4.609 1.00 0.00 C ATOM 1337 CE2 PHE A 90 9.931 5.882 6.159 1.00 0.00 C ATOM 1338 CZ PHE A 90 9.236 5.339 5.096 1.00 0.00 C ATOM 0 H PHE A 90 9.891 10.335 7.730 1.00 0.00 H new ATOM 0 HA PHE A 90 8.589 10.045 5.134 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.204 9.007 7.932 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.820 9.030 6.858 1.00 0.00 H new ATOM 0 HD1 PHE A 90 6.807 7.655 4.805 1.00 0.00 H new ATOM 0 HD2 PHE A 90 10.046 7.481 7.567 1.00 0.00 H new ATOM 0 HE1 PHE A 90 7.569 5.558 3.776 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.811 5.385 6.540 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.570 4.416 4.646 1.00 0.00 H new ATOM 1348 N GLY A 91 6.759 11.711 5.280 1.00 0.00 N ATOM 1349 CA GLY A 91 5.794 12.795 5.318 1.00 0.00 C ATOM 1350 C GLY A 91 4.395 12.314 5.646 1.00 0.00 C ATOM 1351 O GLY A 91 4.188 11.172 6.057 1.00 0.00 O ATOM 0 H GLY A 91 6.826 11.228 4.384 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.106 13.529 6.061 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.784 13.302 4.353 1.00 0.00 H new ATOM 1355 N PRO A 92 3.403 13.200 5.465 1.00 0.00 N ATOM 1356 CA PRO A 92 1.999 12.882 5.740 1.00 0.00 C ATOM 1357 C PRO A 92 1.423 11.886 4.739 1.00 0.00 C ATOM 1358 O PRO A 92 1.788 11.891 3.563 1.00 0.00 O ATOM 1359 CB PRO A 92 1.297 14.237 5.610 1.00 0.00 C ATOM 1360 CG PRO A 92 2.170 15.030 4.700 1.00 0.00 C ATOM 1361 CD PRO A 92 3.577 14.579 4.979 1.00 0.00 C ATOM 0 HA PRO A 92 1.871 12.411 6.715 1.00 0.00 H new ATOM 0 HB2 PRO A 92 0.294 14.125 5.198 1.00 0.00 H new ATOM 0 HB3 PRO A 92 1.191 14.723 6.580 1.00 0.00 H new ATOM 0 HG2 PRO A 92 1.905 14.858 3.657 1.00 0.00 H new ATOM 0 HG3 PRO A 92 2.059 16.098 4.885 1.00 0.00 H new ATOM 0 HD2 PRO A 92 4.195 14.614 4.082 1.00 0.00 H new ATOM 0 HD3 PRO A 92 4.061 15.210 5.725 1.00 0.00 H new ATOM 1369 N PHE A 93 0.522 11.032 5.213 1.00 0.00 N ATOM 1370 CA PHE A 93 -0.104 10.029 4.359 1.00 0.00 C ATOM 1371 C PHE A 93 -1.091 10.677 3.393 1.00 0.00 C ATOM 1372 O PHE A 93 -1.529 11.809 3.601 1.00 0.00 O ATOM 1373 CB PHE A 93 -0.821 8.980 5.211 1.00 0.00 C ATOM 1374 CG PHE A 93 0.059 7.830 5.610 1.00 0.00 C ATOM 1375 CD1 PHE A 93 0.372 6.831 4.702 1.00 0.00 C ATOM 1376 CD2 PHE A 93 0.572 7.747 6.895 1.00 0.00 C ATOM 1377 CE1 PHE A 93 1.181 5.772 5.067 1.00 0.00 C ATOM 1378 CE2 PHE A 93 1.382 6.690 7.265 1.00 0.00 C ATOM 1379 CZ PHE A 93 1.686 5.701 6.350 1.00 0.00 C ATOM 0 H PHE A 93 0.209 11.014 6.184 1.00 0.00 H new ATOM 0 HA PHE A 93 0.679 9.542 3.778 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -1.211 9.458 6.110 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.678 8.597 4.657 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.021 6.881 3.697 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.336 8.517 7.615 1.00 0.00 H new ATOM 0 HE1 PHE A 93 1.418 5.001 4.349 1.00 0.00 H new ATOM 0 HE2 PHE A 93 1.777 6.637 8.269 1.00 0.00 H new ATOM 0 HZ PHE A 93 2.318 4.874 6.638 1.00 0.00 H new ATOM 1389 N SER A 94 -1.436 9.951 2.334 1.00 0.00 N ATOM 1390 CA SER A 94 -2.368 10.456 1.332 1.00 0.00 C ATOM 1391 C SER A 94 -3.809 10.333 1.819 1.00 0.00 C ATOM 1392 O SER A 94 -4.058 9.948 2.961 1.00 0.00 O ATOM 1393 CB SER A 94 -2.196 9.695 0.016 1.00 0.00 C ATOM 1394 OG SER A 94 -2.689 8.371 0.124 1.00 0.00 O ATOM 0 H SER A 94 -1.084 9.012 2.148 1.00 0.00 H new ATOM 0 HA SER A 94 -2.148 11.510 1.166 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.723 10.218 -0.782 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.142 9.672 -0.259 1.00 0.00 H new ATOM 0 HG SER A 94 -3.637 8.354 -0.125 1.00 0.00 H new ATOM 1400 N GLU A 95 -4.753 10.663 0.944 1.00 0.00 N ATOM 1401 CA GLU A 95 -6.169 10.590 1.285 1.00 0.00 C ATOM 1402 C GLU A 95 -6.622 9.139 1.419 1.00 0.00 C ATOM 1403 O GLU A 95 -6.447 8.334 0.504 1.00 0.00 O ATOM 1404 CB GLU A 95 -7.009 11.302 0.222 1.00 0.00 C ATOM 1405 CG GLU A 95 -6.718 12.789 0.112 1.00 0.00 C ATOM 1406 CD GLU A 95 -7.884 13.570 -0.463 1.00 0.00 C ATOM 1407 OE1 GLU A 95 -9.043 13.211 -0.169 1.00 0.00 O ATOM 1408 OE2 GLU A 95 -7.635 14.541 -1.209 1.00 0.00 O ATOM 0 H GLU A 95 -4.563 10.983 -0.006 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.312 11.087 2.244 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.829 10.833 -0.745 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.065 11.163 0.453 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.474 13.182 1.099 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.840 12.938 -0.517 1.00 0.00 H new ATOM 1415 N LYS A 96 -7.206 8.812 2.567 1.00 0.00 N ATOM 1416 CA LYS A 96 -7.686 7.459 2.824 1.00 0.00 C ATOM 1417 C LYS A 96 -8.633 6.999 1.721 1.00 0.00 C ATOM 1418 O LYS A 96 -9.807 7.371 1.703 1.00 0.00 O ATOM 1419 CB LYS A 96 -8.395 7.396 4.179 1.00 0.00 C ATOM 1420 CG LYS A 96 -9.296 8.588 4.450 1.00 0.00 C ATOM 1421 CD LYS A 96 -10.472 8.209 5.333 1.00 0.00 C ATOM 1422 CE LYS A 96 -11.663 7.748 4.508 1.00 0.00 C ATOM 1423 NZ LYS A 96 -12.937 7.834 5.275 1.00 0.00 N ATOM 0 H LYS A 96 -7.358 9.466 3.335 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.824 6.792 2.840 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.990 6.484 4.226 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.646 7.330 4.969 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.720 9.379 4.930 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.664 8.989 3.506 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -10.173 7.415 6.018 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -10.760 9.065 5.944 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.739 8.358 3.608 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -11.503 6.720 4.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.724 7.511 4.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.874 7.232 6.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.103 8.819 5.563 1.00 0.00 H new ATOM 1437 N CYS A 97 -8.117 6.188 0.804 1.00 0.00 N ATOM 1438 CA CYS A 97 -8.918 5.677 -0.303 1.00 0.00 C ATOM 1439 C CYS A 97 -9.518 4.318 0.043 1.00 0.00 C ATOM 1440 O CYS A 97 -8.798 3.329 0.186 1.00 0.00 O ATOM 1441 CB CYS A 97 -8.065 5.565 -1.568 1.00 0.00 C ATOM 1442 SG CYS A 97 -6.770 4.307 -1.476 1.00 0.00 S ATOM 0 H CYS A 97 -7.148 5.870 0.805 1.00 0.00 H new ATOM 0 HA CYS A 97 -9.733 6.378 -0.484 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -8.716 5.340 -2.413 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -7.604 6.532 -1.769 1.00 0.00 H new ATOM 0 HG CYS A 97 -7.235 3.248 -0.882 1.00 0.00 H new ATOM 1448 N ASP A 98 -10.839 4.277 0.176 1.00 0.00 N ATOM 1449 CA ASP A 98 -11.536 3.040 0.506 1.00 0.00 C ATOM 1450 C ASP A 98 -11.600 2.113 -0.705 1.00 0.00 C ATOM 1451 O ASP A 98 -11.732 2.569 -1.841 1.00 0.00 O ATOM 1452 CB ASP A 98 -12.949 3.343 1.007 1.00 0.00 C ATOM 1453 CG ASP A 98 -13.968 3.368 -0.116 1.00 0.00 C ATOM 1454 OD1 ASP A 98 -14.422 2.281 -0.529 1.00 0.00 O ATOM 1455 OD2 ASP A 98 -14.311 4.476 -0.582 1.00 0.00 O ATOM 0 H ASP A 98 -11.449 5.087 0.060 1.00 0.00 H new ATOM 0 HA ASP A 98 -10.979 2.538 1.297 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.240 2.592 1.741 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -12.952 4.306 1.518 1.00 0.00 H new ATOM 1460 N ILE A 99 -11.504 0.812 -0.453 1.00 0.00 N ATOM 1461 CA ILE A 99 -11.551 -0.178 -1.522 1.00 0.00 C ATOM 1462 C ILE A 99 -12.292 -1.434 -1.076 1.00 0.00 C ATOM 1463 O ILE A 99 -11.904 -2.085 -0.105 1.00 0.00 O ATOM 1464 CB ILE A 99 -10.137 -0.568 -1.990 1.00 0.00 C ATOM 1465 CG1 ILE A 99 -9.519 0.564 -2.814 1.00 0.00 C ATOM 1466 CG2 ILE A 99 -10.184 -1.855 -2.800 1.00 0.00 C ATOM 1467 CD1 ILE A 99 -8.027 0.418 -3.017 1.00 0.00 C ATOM 0 H ILE A 99 -11.393 0.419 0.482 1.00 0.00 H new ATOM 0 HA ILE A 99 -12.086 0.280 -2.354 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.513 -0.736 -1.112 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -10.008 0.603 -3.787 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.719 1.514 -2.319 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.177 -2.118 -3.124 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -10.588 -2.658 -2.184 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.820 -1.712 -3.673 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.657 1.255 -3.609 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -7.527 0.410 -2.048 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -7.821 -0.516 -3.540 1.00 0.00 H new ATOM 1479 N THR A 100 -13.360 -1.771 -1.792 1.00 0.00 N ATOM 1480 CA THR A 100 -14.155 -2.949 -1.471 1.00 0.00 C ATOM 1481 C THR A 100 -13.605 -4.190 -2.166 1.00 0.00 C ATOM 1482 O THR A 100 -13.500 -4.233 -3.392 1.00 0.00 O ATOM 1483 CB THR A 100 -15.629 -2.760 -1.875 1.00 0.00 C ATOM 1484 OG1 THR A 100 -16.078 -1.455 -1.493 1.00 0.00 O ATOM 1485 CG2 THR A 100 -16.509 -3.815 -1.222 1.00 0.00 C ATOM 0 H THR A 100 -13.694 -1.244 -2.599 1.00 0.00 H new ATOM 0 HA THR A 100 -14.097 -3.084 -0.391 1.00 0.00 H new ATOM 0 HB THR A 100 -15.702 -2.867 -2.957 1.00 0.00 H new ATOM 0 HG1 THR A 100 -16.068 -1.378 -0.516 1.00 0.00 H new ATOM 0 HG21 THR A 100 -17.545 -3.661 -1.522 1.00 0.00 H new ATOM 0 HG22 THR A 100 -16.183 -4.806 -1.537 1.00 0.00 H new ATOM 0 HG23 THR A 100 -16.430 -3.735 -0.138 1.00 0.00 H new ATOM 1493 N THR A 101 -13.253 -5.199 -1.375 1.00 0.00 N ATOM 1494 CA THR A 101 -12.713 -6.440 -1.915 1.00 0.00 C ATOM 1495 C THR A 101 -13.783 -7.225 -2.665 1.00 0.00 C ATOM 1496 O THR A 101 -14.931 -6.793 -2.760 1.00 0.00 O ATOM 1497 CB THR A 101 -12.127 -7.329 -0.801 1.00 0.00 C ATOM 1498 OG1 THR A 101 -13.082 -7.484 0.255 1.00 0.00 O ATOM 1499 CG2 THR A 101 -10.844 -6.728 -0.248 1.00 0.00 C ATOM 0 H THR A 101 -13.332 -5.181 -0.358 1.00 0.00 H new ATOM 0 HA THR A 101 -11.917 -6.164 -2.607 1.00 0.00 H new ATOM 0 HB THR A 101 -11.897 -8.305 -1.228 1.00 0.00 H new ATOM 0 HG1 THR A 101 -12.617 -7.717 1.085 1.00 0.00 H new ATOM 0 HG21 THR A 101 -10.449 -7.373 0.537 1.00 0.00 H new ATOM 0 HG22 THR A 101 -10.109 -6.639 -1.048 1.00 0.00 H new ATOM 0 HG23 THR A 101 -11.053 -5.741 0.164 1.00 0.00 H new ATOM 1507 N ALA A 102 -13.399 -8.381 -3.196 1.00 0.00 N ATOM 1508 CA ALA A 102 -14.327 -9.228 -3.936 1.00 0.00 C ATOM 1509 C ALA A 102 -15.240 -9.999 -2.990 1.00 0.00 C ATOM 1510 O ALA A 102 -14.870 -10.331 -1.864 1.00 0.00 O ATOM 1511 CB ALA A 102 -13.563 -10.188 -4.835 1.00 0.00 C ATOM 0 H ALA A 102 -12.452 -8.753 -3.128 1.00 0.00 H new ATOM 0 HA ALA A 102 -14.951 -8.585 -4.557 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.268 -10.814 -5.381 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -12.958 -9.621 -5.542 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -12.914 -10.818 -4.226 1.00 0.00 H new ATOM 1517 N PRO A 103 -16.464 -10.292 -3.455 1.00 0.00 N ATOM 1518 CA PRO A 103 -17.456 -11.028 -2.665 1.00 0.00 C ATOM 1519 C PRO A 103 -17.072 -12.491 -2.470 1.00 0.00 C ATOM 1520 O PRO A 103 -17.815 -13.263 -1.866 1.00 0.00 O ATOM 1521 CB PRO A 103 -18.731 -10.917 -3.504 1.00 0.00 C ATOM 1522 CG PRO A 103 -18.250 -10.715 -4.900 1.00 0.00 C ATOM 1523 CD PRO A 103 -16.973 -9.929 -4.788 1.00 0.00 C ATOM 0 HA PRO A 103 -17.556 -10.624 -1.658 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -19.339 -11.818 -3.421 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -19.351 -10.083 -3.174 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -18.078 -11.670 -5.396 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -18.989 -10.177 -5.493 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -16.267 -10.196 -5.574 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -17.152 -8.857 -4.871 1.00 0.00 H new ATOM 1531 N GLY A 104 -15.906 -12.866 -2.987 1.00 0.00 N ATOM 1532 CA GLY A 104 -15.444 -14.236 -2.859 1.00 0.00 C ATOM 1533 C GLY A 104 -16.112 -15.168 -3.850 1.00 0.00 C ATOM 1534 O GLY A 104 -17.150 -15.760 -3.553 1.00 0.00 O ATOM 0 H GLY A 104 -15.273 -12.246 -3.492 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -14.364 -14.267 -3.006 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -15.638 -14.588 -1.846 1.00 0.00 H new