USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 804 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 53 TYR OH : rot 26:sc= -7.38! USER MOD Set 1.2: A 81 HIS : no HE2:sc= -9.3! C(o=-29!,f=-33!) USER MOD Set 1.3: A 88 HIS : no HE2:sc= -12.8! C(o=-29!,f=-32!) USER MOD Single : A 1 SER N :NH3+ -172:sc= 0 (180deg=-0.0536) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 60:sc= -0.222 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -1.32 X(o=-1.3,f=-0.85) USER MOD Single : A 23 ASN : amide:sc= -10.3! C(o=-10!,f=-8.2!) USER MOD Single : A 25 THR OG1 : rot 17:sc= 0.281 USER MOD Single : A 33 SER OG : rot -80:sc= 0.346 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 154:sc= -6.08! USER MOD Single : A 47 THR OG1 : rot -33:sc= 0.256 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HE2:sc= -6.08! C(o=-6.1!,f=-8!) USER MOD Single : A 54 LYS NZ :NH3+ 149:sc= 0.6 (180deg=-0.321) USER MOD Single : A 64 HIS : no HE2:sc= -2.31 K(o=-2.3,f=-4.9!) USER MOD Single : A 66 ASN : amide:sc= -0.321 K(o=-0.32,f=-1.9!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -0.67 USER MOD Single : A 79 ASN : amide:sc= -0.0765 X(o=-0.076,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc=-0.000878 X(o=-0.00088,f=-0.054) USER MOD Single : A 85 SER OG : rot 180:sc= 0.0305 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 96 CYS SG : rot -32:sc= -4.92 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HE2:sc= -0.209 K(o=-0.21,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 8.529 2.299 8.874 1.00 0.00 N ATOM 2 CA SER A 1 9.495 3.295 8.341 1.00 0.00 C ATOM 3 C SER A 1 8.958 3.962 7.078 1.00 0.00 C ATOM 4 O SER A 1 8.537 5.119 7.107 1.00 0.00 O ATOM 5 CB SER A 1 10.815 2.581 8.041 1.00 0.00 C ATOM 6 OG SER A 1 11.711 2.686 9.133 1.00 0.00 O ATOM 0 H1 SER A 1 8.856 1.960 9.801 1.00 0.00 H new ATOM 0 H2 SER A 1 7.594 2.743 8.977 1.00 0.00 H new ATOM 0 H3 SER A 1 8.460 1.496 8.217 1.00 0.00 H new ATOM 0 HA SER A 1 9.651 4.077 9.084 1.00 0.00 H new ATOM 0 HB2 SER A 1 10.623 1.530 7.824 1.00 0.00 H new ATOM 0 HB3 SER A 1 11.271 3.012 7.150 1.00 0.00 H new ATOM 0 HG SER A 1 12.546 2.220 8.917 1.00 0.00 H new ATOM 14 N GLU A 2 8.975 3.226 5.972 1.00 0.00 N ATOM 15 CA GLU A 2 8.489 3.747 4.698 1.00 0.00 C ATOM 16 C GLU A 2 6.975 3.569 4.579 1.00 0.00 C ATOM 17 O GLU A 2 6.260 4.511 4.247 1.00 0.00 O ATOM 18 CB GLU A 2 9.195 3.058 3.525 1.00 0.00 C ATOM 19 CG GLU A 2 10.585 2.537 3.859 1.00 0.00 C ATOM 20 CD GLU A 2 11.578 2.765 2.735 1.00 0.00 C ATOM 21 OE1 GLU A 2 12.118 3.887 2.638 1.00 0.00 O ATOM 22 OE2 GLU A 2 11.817 1.821 1.953 1.00 0.00 O ATOM 0 H GLU A 2 9.320 2.267 5.931 1.00 0.00 H new ATOM 0 HA GLU A 2 8.716 4.813 4.664 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.579 2.227 3.181 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.271 3.762 2.696 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.946 3.028 4.763 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.527 1.471 4.077 1.00 0.00 H new ATOM 29 N PRO A 3 6.465 2.354 4.848 1.00 0.00 N ATOM 30 CA PRO A 3 5.042 2.045 4.779 1.00 0.00 C ATOM 31 C PRO A 3 4.372 2.138 6.149 1.00 0.00 C ATOM 32 O PRO A 3 4.871 2.804 7.055 1.00 0.00 O ATOM 33 CB PRO A 3 5.066 0.583 4.319 1.00 0.00 C ATOM 34 CG PRO A 3 6.315 0.010 4.916 1.00 0.00 C ATOM 35 CD PRO A 3 7.237 1.165 5.245 1.00 0.00 C ATOM 0 HA PRO A 3 4.488 2.727 4.134 1.00 0.00 H new ATOM 0 HB2 PRO A 3 4.182 0.046 4.663 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.079 0.511 3.231 1.00 0.00 H new ATOM 0 HG2 PRO A 3 6.082 -0.562 5.814 1.00 0.00 H new ATOM 0 HG3 PRO A 3 6.794 -0.675 4.217 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.488 1.187 6.305 1.00 0.00 H new ATOM 0 HD3 PRO A 3 8.176 1.096 4.696 1.00 0.00 H new ATOM 43 N TRP A 4 3.253 1.436 6.296 1.00 0.00 N ATOM 44 CA TRP A 4 2.520 1.397 7.551 1.00 0.00 C ATOM 45 C TRP A 4 1.704 0.113 7.628 1.00 0.00 C ATOM 46 O TRP A 4 0.479 0.131 7.516 1.00 0.00 O ATOM 47 CB TRP A 4 1.605 2.613 7.693 1.00 0.00 C ATOM 48 CG TRP A 4 1.427 3.052 9.115 1.00 0.00 C ATOM 49 CD1 TRP A 4 0.328 2.859 9.903 1.00 0.00 C ATOM 50 CD2 TRP A 4 2.379 3.757 9.919 1.00 0.00 C ATOM 51 NE1 TRP A 4 0.540 3.402 11.148 1.00 0.00 N ATOM 52 CE2 TRP A 4 1.791 3.958 11.183 1.00 0.00 C ATOM 53 CE3 TRP A 4 3.672 4.235 9.694 1.00 0.00 C ATOM 54 CZ2 TRP A 4 2.452 4.619 12.215 1.00 0.00 C ATOM 55 CZ3 TRP A 4 4.328 4.891 10.720 1.00 0.00 C ATOM 56 CH2 TRP A 4 3.717 5.077 11.967 1.00 0.00 C ATOM 0 H TRP A 4 2.832 0.881 5.551 1.00 0.00 H new ATOM 0 HA TRP A 4 3.238 1.420 8.371 1.00 0.00 H new ATOM 0 HB2 TRP A 4 2.016 3.439 7.113 1.00 0.00 H new ATOM 0 HB3 TRP A 4 0.630 2.378 7.267 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -0.575 2.354 9.593 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -0.126 3.392 11.920 1.00 0.00 H new ATOM 0 HE3 TRP A 4 4.151 4.095 8.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 1.983 4.765 13.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 5.328 5.266 10.557 1.00 0.00 H new ATOM 0 HH2 TRP A 4 4.256 5.592 12.748 1.00 0.00 H new ATOM 67 N PHE A 5 2.400 -1.003 7.804 1.00 0.00 N ATOM 68 CA PHE A 5 1.754 -2.305 7.883 1.00 0.00 C ATOM 69 C PHE A 5 0.721 -2.335 9.003 1.00 0.00 C ATOM 70 O PHE A 5 1.072 -2.315 10.183 1.00 0.00 O ATOM 71 CB PHE A 5 2.796 -3.401 8.107 1.00 0.00 C ATOM 72 CG PHE A 5 3.680 -3.638 6.917 1.00 0.00 C ATOM 73 CD1 PHE A 5 4.788 -2.837 6.689 1.00 0.00 C ATOM 74 CD2 PHE A 5 3.403 -4.662 6.026 1.00 0.00 C ATOM 75 CE1 PHE A 5 5.602 -3.054 5.593 1.00 0.00 C ATOM 76 CE2 PHE A 5 4.213 -4.883 4.928 1.00 0.00 C ATOM 77 CZ PHE A 5 5.314 -4.078 4.712 1.00 0.00 C ATOM 0 H PHE A 5 3.416 -1.031 7.895 1.00 0.00 H new ATOM 0 HA PHE A 5 1.242 -2.485 6.938 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.416 -3.133 8.963 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.286 -4.330 8.362 1.00 0.00 H new ATOM 0 HD1 PHE A 5 5.018 -2.035 7.375 1.00 0.00 H new ATOM 0 HD2 PHE A 5 2.544 -5.295 6.191 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.463 -2.423 5.426 1.00 0.00 H new ATOM 0 HE2 PHE A 5 3.985 -5.684 4.240 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.949 -4.249 3.855 1.00 0.00 H new ATOM 87 N PHE A 6 -0.553 -2.389 8.629 1.00 0.00 N ATOM 88 CA PHE A 6 -1.628 -2.430 9.608 1.00 0.00 C ATOM 89 C PHE A 6 -2.380 -3.752 9.510 1.00 0.00 C ATOM 90 O PHE A 6 -2.265 -4.468 8.516 1.00 0.00 O ATOM 91 CB PHE A 6 -2.585 -1.254 9.400 1.00 0.00 C ATOM 92 CG PHE A 6 -3.027 -0.616 10.687 1.00 0.00 C ATOM 93 CD1 PHE A 6 -2.164 0.197 11.403 1.00 0.00 C ATOM 94 CD2 PHE A 6 -4.304 -0.831 11.179 1.00 0.00 C ATOM 95 CE1 PHE A 6 -2.566 0.782 12.589 1.00 0.00 C ATOM 96 CE2 PHE A 6 -4.711 -0.248 12.364 1.00 0.00 C ATOM 97 CZ PHE A 6 -3.841 0.559 13.070 1.00 0.00 C ATOM 0 H PHE A 6 -0.864 -2.405 7.658 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.195 -2.349 10.605 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.098 -0.503 8.778 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.462 -1.600 8.853 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.166 0.376 11.031 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -4.989 -1.461 10.631 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -1.884 1.413 13.139 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -5.709 -0.423 12.738 1.00 0.00 H new ATOM 0 HZ PHE A 6 -4.157 1.015 13.997 1.00 0.00 H new ATOM 107 N GLY A 7 -3.139 -4.080 10.550 1.00 0.00 N ATOM 108 CA GLY A 7 -3.880 -5.326 10.549 1.00 0.00 C ATOM 109 C GLY A 7 -5.333 -5.151 10.939 1.00 0.00 C ATOM 110 O GLY A 7 -5.933 -6.053 11.524 1.00 0.00 O ATOM 0 H GLY A 7 -3.254 -3.509 11.388 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.827 -5.773 9.556 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.406 -6.025 11.238 1.00 0.00 H new ATOM 114 N CYS A 8 -5.911 -3.997 10.617 1.00 0.00 N ATOM 115 CA CYS A 8 -7.309 -3.746 10.948 1.00 0.00 C ATOM 116 C CYS A 8 -7.798 -2.394 10.426 1.00 0.00 C ATOM 117 O CYS A 8 -8.689 -1.785 11.017 1.00 0.00 O ATOM 118 CB CYS A 8 -7.515 -3.826 12.464 1.00 0.00 C ATOM 119 SG CYS A 8 -8.461 -5.268 13.005 1.00 0.00 S ATOM 0 H CYS A 8 -5.441 -3.231 10.134 1.00 0.00 H new ATOM 0 HA CYS A 8 -7.899 -4.518 10.455 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.540 -3.840 12.952 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -8.026 -2.923 12.799 1.00 0.00 H new ATOM 0 HG CYS A 8 -7.847 -6.353 12.636 1.00 0.00 H new ATOM 125 N ILE A 9 -7.242 -1.937 9.309 1.00 0.00 N ATOM 126 CA ILE A 9 -7.670 -0.670 8.726 1.00 0.00 C ATOM 127 C ILE A 9 -8.658 -0.919 7.596 1.00 0.00 C ATOM 128 O ILE A 9 -8.430 -1.767 6.734 1.00 0.00 O ATOM 129 CB ILE A 9 -6.499 0.171 8.178 1.00 0.00 C ATOM 130 CG1 ILE A 9 -5.513 -0.703 7.410 1.00 0.00 C ATOM 131 CG2 ILE A 9 -5.790 0.919 9.301 1.00 0.00 C ATOM 132 CD1 ILE A 9 -4.339 0.071 6.868 1.00 0.00 C ATOM 0 H ILE A 9 -6.504 -2.417 8.795 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.137 -0.107 9.534 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.912 0.907 7.488 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.148 -1.493 8.066 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -6.033 -1.189 6.585 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.969 1.504 8.887 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -6.496 1.585 9.797 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.398 0.204 10.024 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.673 -0.606 6.332 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.696 0.844 6.187 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.797 0.535 7.692 1.00 0.00 H new ATOM 144 N SER A 10 -9.755 -0.177 7.608 1.00 0.00 N ATOM 145 CA SER A 10 -10.780 -0.320 6.584 1.00 0.00 C ATOM 146 C SER A 10 -10.591 0.717 5.486 1.00 0.00 C ATOM 147 O SER A 10 -9.799 1.647 5.627 1.00 0.00 O ATOM 148 CB SER A 10 -12.173 -0.180 7.201 1.00 0.00 C ATOM 149 OG SER A 10 -13.148 -0.843 6.414 1.00 0.00 O ATOM 0 H SER A 10 -9.959 0.530 8.315 1.00 0.00 H new ATOM 0 HA SER A 10 -10.686 -1.313 6.145 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.171 -0.595 8.209 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.430 0.875 7.291 1.00 0.00 H new ATOM 0 HG SER A 10 -14.029 -0.740 6.830 1.00 0.00 H new ATOM 155 N ARG A 11 -11.327 0.554 4.394 1.00 0.00 N ATOM 156 CA ARG A 11 -11.240 1.484 3.276 1.00 0.00 C ATOM 157 C ARG A 11 -11.603 2.898 3.716 1.00 0.00 C ATOM 158 O ARG A 11 -11.242 3.877 3.065 1.00 0.00 O ATOM 159 CB ARG A 11 -12.150 1.030 2.133 1.00 0.00 C ATOM 160 CG ARG A 11 -11.509 1.148 0.760 1.00 0.00 C ATOM 161 CD ARG A 11 -12.269 0.342 -0.281 1.00 0.00 C ATOM 162 NE ARG A 11 -13.366 1.106 -0.872 1.00 0.00 N ATOM 163 CZ ARG A 11 -13.942 0.801 -2.031 1.00 0.00 C ATOM 164 NH1 ARG A 11 -13.530 -0.251 -2.729 1.00 0.00 N ATOM 165 NH2 ARG A 11 -14.933 1.549 -2.496 1.00 0.00 N ATOM 0 H ARG A 11 -11.988 -0.211 4.259 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.210 1.493 2.920 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.440 -0.007 2.301 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -13.064 1.624 2.150 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.479 2.195 0.460 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.477 0.801 0.808 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.583 0.026 -1.067 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.665 -0.563 0.179 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.710 1.922 -0.365 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.768 -0.830 -2.377 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.976 -0.480 -3.617 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.254 2.359 -1.965 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.375 1.315 -3.385 1.00 0.00 H new ATOM 179 N SER A 12 -12.311 2.993 4.830 1.00 0.00 N ATOM 180 CA SER A 12 -12.723 4.282 5.372 1.00 0.00 C ATOM 181 C SER A 12 -11.558 4.975 6.073 1.00 0.00 C ATOM 182 O SER A 12 -11.442 6.199 6.039 1.00 0.00 O ATOM 183 CB SER A 12 -13.886 4.103 6.348 1.00 0.00 C ATOM 184 OG SER A 12 -13.438 3.566 7.581 1.00 0.00 O ATOM 0 H SER A 12 -12.615 2.190 5.380 1.00 0.00 H new ATOM 0 HA SER A 12 -13.049 4.908 4.542 1.00 0.00 H new ATOM 0 HB2 SER A 12 -14.371 5.064 6.521 1.00 0.00 H new ATOM 0 HB3 SER A 12 -14.634 3.442 5.910 1.00 0.00 H new ATOM 0 HG SER A 12 -14.200 3.463 8.189 1.00 0.00 H new ATOM 190 N GLU A 13 -10.694 4.184 6.706 1.00 0.00 N ATOM 191 CA GLU A 13 -9.541 4.733 7.411 1.00 0.00 C ATOM 192 C GLU A 13 -8.440 5.117 6.441 1.00 0.00 C ATOM 193 O GLU A 13 -8.043 6.271 6.378 1.00 0.00 O ATOM 194 CB GLU A 13 -8.983 3.735 8.423 1.00 0.00 C ATOM 195 CG GLU A 13 -10.049 3.025 9.243 1.00 0.00 C ATOM 196 CD GLU A 13 -10.448 3.807 10.479 1.00 0.00 C ATOM 197 OE1 GLU A 13 -10.853 4.979 10.334 1.00 0.00 O ATOM 198 OE2 GLU A 13 -10.357 3.246 11.591 1.00 0.00 O ATOM 0 H GLU A 13 -10.771 3.168 6.745 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.886 5.623 7.938 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.390 2.989 7.894 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.307 4.258 9.099 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.929 2.859 8.622 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.680 2.044 9.541 1.00 0.00 H new ATOM 205 N ALA A 14 -7.943 4.142 5.690 1.00 0.00 N ATOM 206 CA ALA A 14 -6.876 4.385 4.731 1.00 0.00 C ATOM 207 C ALA A 14 -7.231 5.538 3.801 1.00 0.00 C ATOM 208 O ALA A 14 -6.364 6.296 3.372 1.00 0.00 O ATOM 209 CB ALA A 14 -6.586 3.121 3.939 1.00 0.00 C ATOM 0 H ALA A 14 -8.263 3.174 5.728 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.977 4.666 5.279 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.786 3.315 3.225 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.280 2.327 4.620 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.484 2.813 3.403 1.00 0.00 H new ATOM 215 N VAL A 15 -8.515 5.676 3.503 1.00 0.00 N ATOM 216 CA VAL A 15 -8.973 6.750 2.632 1.00 0.00 C ATOM 217 C VAL A 15 -8.708 8.111 3.277 1.00 0.00 C ATOM 218 O VAL A 15 -8.123 8.999 2.658 1.00 0.00 O ATOM 219 CB VAL A 15 -10.475 6.601 2.296 1.00 0.00 C ATOM 220 CG1 VAL A 15 -11.128 7.952 2.025 1.00 0.00 C ATOM 221 CG2 VAL A 15 -10.661 5.675 1.104 1.00 0.00 C ATOM 0 H VAL A 15 -9.254 5.063 3.848 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.411 6.685 1.700 1.00 0.00 H new ATOM 0 HB VAL A 15 -10.967 6.165 3.165 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -12.183 7.806 1.793 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -11.035 8.585 2.908 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.634 8.432 1.181 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.723 5.580 0.879 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.143 6.088 0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.250 4.693 1.339 1.00 0.00 H new ATOM 231 N ARG A 16 -9.136 8.260 4.527 1.00 0.00 N ATOM 232 CA ARG A 16 -8.940 9.509 5.260 1.00 0.00 C ATOM 233 C ARG A 16 -7.554 9.559 5.903 1.00 0.00 C ATOM 234 O ARG A 16 -7.074 10.620 6.299 1.00 0.00 O ATOM 235 CB ARG A 16 -10.020 9.671 6.333 1.00 0.00 C ATOM 236 CG ARG A 16 -10.227 11.111 6.775 1.00 0.00 C ATOM 237 CD ARG A 16 -11.698 11.416 7.012 1.00 0.00 C ATOM 238 NE ARG A 16 -12.482 11.313 5.785 1.00 0.00 N ATOM 239 CZ ARG A 16 -12.520 12.260 4.849 1.00 0.00 C ATOM 240 NH1 ARG A 16 -11.827 13.382 5.001 1.00 0.00 N ATOM 241 NH2 ARG A 16 -13.255 12.085 3.759 1.00 0.00 N ATOM 0 H ARG A 16 -9.620 7.533 5.054 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.017 10.331 4.548 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.962 9.278 5.951 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.752 9.068 7.201 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.664 11.296 7.690 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.832 11.786 6.016 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.096 10.726 7.756 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -11.798 12.420 7.423 1.00 0.00 H new ATOM 0 HE ARG A 16 -13.032 10.467 5.636 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -11.261 13.523 5.838 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.860 14.103 4.281 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.791 11.226 3.638 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -13.284 12.810 3.042 1.00 0.00 H new ATOM 255 N ARG A 17 -6.926 8.397 5.996 1.00 0.00 N ATOM 256 CA ARG A 17 -5.599 8.271 6.582 1.00 0.00 C ATOM 257 C ARG A 17 -4.535 8.706 5.580 1.00 0.00 C ATOM 258 O ARG A 17 -3.652 9.504 5.899 1.00 0.00 O ATOM 259 CB ARG A 17 -5.361 6.819 7.022 1.00 0.00 C ATOM 260 CG ARG A 17 -4.103 6.626 7.852 1.00 0.00 C ATOM 261 CD ARG A 17 -3.990 5.197 8.357 1.00 0.00 C ATOM 262 NE ARG A 17 -3.177 5.104 9.566 1.00 0.00 N ATOM 263 CZ ARG A 17 -3.035 3.989 10.277 1.00 0.00 C ATOM 264 NH1 ARG A 17 -3.642 2.871 9.900 1.00 0.00 N ATOM 265 NH2 ARG A 17 -2.282 3.990 11.369 1.00 0.00 N ATOM 0 H ARG A 17 -7.321 7.515 5.668 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.533 8.919 7.456 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.221 6.479 7.599 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -5.301 6.186 6.136 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.227 6.872 7.252 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.113 7.313 8.698 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.987 4.805 8.560 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.554 4.571 7.578 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.690 5.942 9.884 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.221 2.863 9.061 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.529 2.019 10.450 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.812 4.846 11.663 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.173 3.135 11.914 1.00 0.00 H new ATOM 279 N LEU A 18 -4.636 8.184 4.363 1.00 0.00 N ATOM 280 CA LEU A 18 -3.699 8.519 3.298 1.00 0.00 C ATOM 281 C LEU A 18 -3.803 9.992 2.930 1.00 0.00 C ATOM 282 O LEU A 18 -2.799 10.683 2.758 1.00 0.00 O ATOM 283 CB LEU A 18 -3.986 7.664 2.066 1.00 0.00 C ATOM 284 CG LEU A 18 -3.304 6.299 2.047 1.00 0.00 C ATOM 285 CD1 LEU A 18 -1.807 6.450 2.222 1.00 0.00 C ATOM 286 CD2 LEU A 18 -3.871 5.399 3.129 1.00 0.00 C ATOM 0 H LEU A 18 -5.363 7.523 4.089 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.689 8.319 3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.063 7.515 1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.678 8.218 1.179 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.497 5.837 1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.338 5.466 2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.405 7.057 1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.599 6.935 3.176 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.370 4.431 3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.711 5.858 4.105 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.939 5.260 2.964 1.00 0.00 H new ATOM 298 N GLN A 19 -5.034 10.449 2.800 1.00 0.00 N ATOM 299 CA GLN A 19 -5.320 11.835 2.432 1.00 0.00 C ATOM 300 C GLN A 19 -5.080 12.805 3.588 1.00 0.00 C ATOM 301 O GLN A 19 -4.973 14.012 3.371 1.00 0.00 O ATOM 302 CB GLN A 19 -6.761 11.965 1.935 1.00 0.00 C ATOM 303 CG GLN A 19 -7.802 11.739 3.016 1.00 0.00 C ATOM 304 CD GLN A 19 -8.340 13.036 3.589 1.00 0.00 C ATOM 305 OE1 GLN A 19 -8.775 13.919 2.852 1.00 0.00 O ATOM 306 NE2 GLN A 19 -8.312 13.155 4.911 1.00 0.00 N ATOM 0 H GLN A 19 -5.866 9.877 2.945 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.630 12.102 1.632 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -6.901 12.959 1.510 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.924 11.248 1.130 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.627 11.158 2.604 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.364 11.146 3.819 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.942 12.396 5.484 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.661 14.005 5.354 1.00 0.00 H new ATOM 315 N ALA A 20 -4.990 12.286 4.813 1.00 0.00 N ATOM 316 CA ALA A 20 -4.755 13.134 5.981 1.00 0.00 C ATOM 317 C ALA A 20 -3.611 14.111 5.719 1.00 0.00 C ATOM 318 O ALA A 20 -2.914 13.997 4.711 1.00 0.00 O ATOM 319 CB ALA A 20 -4.453 12.279 7.203 1.00 0.00 C ATOM 0 H ALA A 20 -5.075 11.291 5.021 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.660 13.711 6.173 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.280 12.924 8.065 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.299 11.622 7.405 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.563 11.678 7.016 1.00 0.00 H new ATOM 325 N GLU A 21 -3.413 15.073 6.619 1.00 0.00 N ATOM 326 CA GLU A 21 -2.342 16.049 6.439 1.00 0.00 C ATOM 327 C GLU A 21 -1.022 15.549 6.998 1.00 0.00 C ATOM 328 O GLU A 21 -0.053 16.296 7.125 1.00 0.00 O ATOM 329 CB GLU A 21 -2.716 17.396 7.057 1.00 0.00 C ATOM 330 CG GLU A 21 -3.171 17.295 8.504 1.00 0.00 C ATOM 331 CD GLU A 21 -3.223 18.643 9.194 1.00 0.00 C ATOM 332 OE1 GLU A 21 -4.082 19.469 8.821 1.00 0.00 O ATOM 333 OE2 GLU A 21 -2.404 18.873 10.109 1.00 0.00 O ATOM 0 H GLU A 21 -3.969 15.196 7.465 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.212 16.189 5.366 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.856 18.064 7.001 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.511 17.850 6.465 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.158 16.835 8.539 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.493 16.638 9.049 1.00 0.00 H new ATOM 340 N GLY A 22 -0.998 14.271 7.288 1.00 0.00 N ATOM 341 CA GLY A 22 0.198 13.627 7.788 1.00 0.00 C ATOM 342 C GLY A 22 0.970 12.943 6.677 1.00 0.00 C ATOM 343 O GLY A 22 2.074 12.440 6.891 1.00 0.00 O ATOM 0 H GLY A 22 -1.800 13.649 7.186 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.835 14.367 8.272 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.073 12.894 8.548 1.00 0.00 H new ATOM 347 N ASN A 23 0.366 12.901 5.490 1.00 0.00 N ATOM 348 CA ASN A 23 0.972 12.250 4.336 1.00 0.00 C ATOM 349 C ASN A 23 1.288 13.236 3.230 1.00 0.00 C ATOM 350 O ASN A 23 0.422 13.986 2.778 1.00 0.00 O ATOM 351 CB ASN A 23 0.036 11.162 3.818 1.00 0.00 C ATOM 352 CG ASN A 23 -0.099 10.013 4.797 1.00 0.00 C ATOM 353 OD1 ASN A 23 -1.174 9.434 4.948 1.00 0.00 O ATOM 354 ND2 ASN A 23 0.997 9.677 5.473 1.00 0.00 N ATOM 0 H ASN A 23 -0.548 13.314 5.305 1.00 0.00 H new ATOM 0 HA ASN A 23 1.916 11.808 4.655 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.947 11.591 3.626 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.411 10.785 2.866 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.966 8.912 6.147 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.868 10.184 5.317 1.00 0.00 H new ATOM 361 N ALA A 24 2.538 13.215 2.789 1.00 0.00 N ATOM 362 CA ALA A 24 2.977 14.092 1.723 1.00 0.00 C ATOM 363 C ALA A 24 3.171 13.308 0.438 1.00 0.00 C ATOM 364 O ALA A 24 4.282 13.192 -0.077 1.00 0.00 O ATOM 365 CB ALA A 24 4.254 14.818 2.112 1.00 0.00 C ATOM 0 H ALA A 24 3.263 12.598 3.156 1.00 0.00 H new ATOM 0 HA ALA A 24 2.204 14.841 1.554 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.564 15.471 1.296 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.075 15.415 3.006 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.040 14.090 2.313 1.00 0.00 H new ATOM 371 N THR A 25 2.065 12.777 -0.066 1.00 0.00 N ATOM 372 CA THR A 25 2.055 11.994 -1.292 1.00 0.00 C ATOM 373 C THR A 25 2.998 10.800 -1.211 1.00 0.00 C ATOM 374 O THR A 25 4.079 10.877 -0.630 1.00 0.00 O ATOM 375 CB THR A 25 2.388 12.877 -2.495 1.00 0.00 C ATOM 376 OG1 THR A 25 3.675 13.457 -2.365 1.00 0.00 O ATOM 377 CG2 THR A 25 1.390 13.998 -2.690 1.00 0.00 C ATOM 0 H THR A 25 1.147 12.878 0.366 1.00 0.00 H new ATOM 0 HA THR A 25 1.048 11.598 -1.422 1.00 0.00 H new ATOM 0 HB THR A 25 2.353 12.216 -3.361 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.187 12.968 -1.688 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.676 14.593 -3.558 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.397 13.578 -2.849 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.378 14.632 -1.804 1.00 0.00 H new ATOM 385 N GLY A 26 2.553 9.682 -1.779 1.00 0.00 N ATOM 386 CA GLY A 26 3.336 8.462 -1.743 1.00 0.00 C ATOM 387 C GLY A 26 3.083 7.685 -0.479 1.00 0.00 C ATOM 388 O GLY A 26 3.206 6.466 -0.467 1.00 0.00 O ATOM 0 H GLY A 26 1.660 9.601 -2.265 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.090 7.844 -2.607 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.396 8.706 -1.816 1.00 0.00 H new ATOM 392 N ALA A 27 2.703 8.392 0.586 1.00 0.00 N ATOM 393 CA ALA A 27 2.406 7.757 1.863 1.00 0.00 C ATOM 394 C ALA A 27 1.635 6.462 1.634 1.00 0.00 C ATOM 395 O ALA A 27 0.521 6.494 1.129 1.00 0.00 O ATOM 396 CB ALA A 27 1.606 8.711 2.734 1.00 0.00 C ATOM 0 H ALA A 27 2.595 9.406 0.586 1.00 0.00 H new ATOM 0 HA ALA A 27 3.338 7.516 2.374 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.385 8.234 3.689 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.185 9.618 2.907 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.673 8.967 2.232 1.00 0.00 H new ATOM 402 N PHE A 28 2.238 5.325 1.968 1.00 0.00 N ATOM 403 CA PHE A 28 1.592 4.041 1.752 1.00 0.00 C ATOM 404 C PHE A 28 1.425 3.281 3.059 1.00 0.00 C ATOM 405 O PHE A 28 2.019 3.626 4.082 1.00 0.00 O ATOM 406 CB PHE A 28 2.401 3.225 0.748 1.00 0.00 C ATOM 407 CG PHE A 28 3.883 3.244 1.002 1.00 0.00 C ATOM 408 CD1 PHE A 28 4.647 4.335 0.632 1.00 0.00 C ATOM 409 CD2 PHE A 28 4.513 2.173 1.608 1.00 0.00 C ATOM 410 CE1 PHE A 28 6.005 4.361 0.861 1.00 0.00 C ATOM 411 CE2 PHE A 28 5.878 2.195 1.840 1.00 0.00 C ATOM 412 CZ PHE A 28 6.622 3.291 1.465 1.00 0.00 C ATOM 0 H PHE A 28 3.167 5.269 2.386 1.00 0.00 H new ATOM 0 HA PHE A 28 0.595 4.215 1.348 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.052 2.193 0.768 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.209 3.607 -0.255 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.172 5.180 0.156 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.935 1.310 1.904 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.586 5.223 0.566 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.359 1.353 2.315 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.687 3.310 1.645 1.00 0.00 H new ATOM 422 N LEU A 29 0.600 2.251 3.007 1.00 0.00 N ATOM 423 CA LEU A 29 0.309 1.418 4.166 1.00 0.00 C ATOM 424 C LEU A 29 -0.143 0.037 3.725 1.00 0.00 C ATOM 425 O LEU A 29 -0.882 -0.106 2.755 1.00 0.00 O ATOM 426 CB LEU A 29 -0.764 2.059 5.050 1.00 0.00 C ATOM 427 CG LEU A 29 -2.000 2.657 4.341 1.00 0.00 C ATOM 428 CD1 LEU A 29 -1.942 2.526 2.833 1.00 0.00 C ATOM 429 CD2 LEU A 29 -3.258 1.992 4.856 1.00 0.00 C ATOM 0 H LEU A 29 0.110 1.966 2.159 1.00 0.00 H new ATOM 0 HA LEU A 29 1.225 1.325 4.749 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.112 1.307 5.758 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.293 2.851 5.632 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.008 3.723 4.570 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.838 2.965 2.395 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.062 3.047 2.456 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.884 1.472 2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.126 2.417 4.353 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.211 0.921 4.657 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.344 2.158 5.930 1.00 0.00 H new ATOM 441 N ILE A 30 0.292 -0.982 4.434 1.00 0.00 N ATOM 442 CA ILE A 30 -0.080 -2.336 4.076 1.00 0.00 C ATOM 443 C ILE A 30 -1.057 -2.926 5.078 1.00 0.00 C ATOM 444 O ILE A 30 -0.743 -3.066 6.254 1.00 0.00 O ATOM 445 CB ILE A 30 1.154 -3.238 3.964 1.00 0.00 C ATOM 446 CG1 ILE A 30 2.294 -2.516 3.213 1.00 0.00 C ATOM 447 CG2 ILE A 30 0.768 -4.536 3.285 1.00 0.00 C ATOM 448 CD1 ILE A 30 2.281 -2.703 1.708 1.00 0.00 C ATOM 0 H ILE A 30 0.896 -0.903 5.252 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.569 -2.286 3.103 1.00 0.00 H new ATOM 0 HB ILE A 30 1.527 -3.469 4.962 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.237 -1.450 3.433 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.248 -2.872 3.601 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.644 -5.179 3.204 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.001 -5.040 3.873 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.381 -4.324 2.288 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.117 -2.161 1.267 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.372 -3.763 1.472 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.345 -2.320 1.302 1.00 0.00 H new ATOM 460 N ARG A 31 -2.249 -3.264 4.606 1.00 0.00 N ATOM 461 CA ARG A 31 -3.277 -3.823 5.471 1.00 0.00 C ATOM 462 C ARG A 31 -3.665 -5.227 5.028 1.00 0.00 C ATOM 463 O ARG A 31 -2.994 -5.836 4.195 1.00 0.00 O ATOM 464 CB ARG A 31 -4.510 -2.925 5.452 1.00 0.00 C ATOM 465 CG ARG A 31 -5.182 -2.842 4.095 1.00 0.00 C ATOM 466 CD ARG A 31 -5.824 -1.480 3.876 1.00 0.00 C ATOM 467 NE ARG A 31 -6.528 -1.397 2.597 1.00 0.00 N ATOM 468 CZ ARG A 31 -7.846 -1.536 2.458 1.00 0.00 C ATOM 469 NH1 ARG A 31 -8.616 -1.786 3.511 1.00 0.00 N ATOM 470 NH2 ARG A 31 -8.397 -1.429 1.257 1.00 0.00 N ATOM 0 H ARG A 31 -2.527 -3.161 3.630 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.875 -3.880 6.483 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.230 -3.295 6.182 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.223 -1.922 5.768 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.448 -3.030 3.312 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.941 -3.621 4.015 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.523 -1.276 4.687 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.056 -0.708 3.916 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.975 -1.222 1.758 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.200 -1.873 4.438 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.624 -1.890 3.393 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.812 -1.241 0.443 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.406 -1.535 1.147 1.00 0.00 H new ATOM 484 N VAL A 32 -4.762 -5.728 5.584 1.00 0.00 N ATOM 485 CA VAL A 32 -5.248 -7.054 5.238 1.00 0.00 C ATOM 486 C VAL A 32 -6.340 -6.979 4.177 1.00 0.00 C ATOM 487 O VAL A 32 -7.078 -5.996 4.099 1.00 0.00 O ATOM 488 CB VAL A 32 -5.791 -7.802 6.474 1.00 0.00 C ATOM 489 CG1 VAL A 32 -4.698 -7.981 7.518 1.00 0.00 C ATOM 490 CG2 VAL A 32 -6.984 -7.064 7.068 1.00 0.00 C ATOM 0 H VAL A 32 -5.329 -5.236 6.274 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.397 -7.607 4.840 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.124 -8.790 6.155 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.102 -8.510 8.381 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.877 -8.557 7.090 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.331 -7.004 7.831 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.352 -7.608 7.938 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.679 -6.062 7.369 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.776 -6.994 6.323 1.00 0.00 H new ATOM 500 N SER A 33 -6.430 -8.021 3.361 1.00 0.00 N ATOM 501 CA SER A 33 -7.425 -8.079 2.299 1.00 0.00 C ATOM 502 C SER A 33 -8.842 -8.077 2.863 1.00 0.00 C ATOM 503 O SER A 33 -9.377 -9.126 3.225 1.00 0.00 O ATOM 504 CB SER A 33 -7.208 -9.326 1.445 1.00 0.00 C ATOM 505 OG SER A 33 -6.740 -10.408 2.232 1.00 0.00 O ATOM 0 H SER A 33 -5.824 -8.840 3.415 1.00 0.00 H new ATOM 0 HA SER A 33 -7.306 -7.190 1.680 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.143 -9.604 0.958 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.489 -9.109 0.655 1.00 0.00 H new ATOM 0 HG SER A 33 -5.776 -10.311 2.382 1.00 0.00 H new ATOM 511 N GLU A 34 -9.452 -6.896 2.925 1.00 0.00 N ATOM 512 CA GLU A 34 -10.814 -6.768 3.433 1.00 0.00 C ATOM 513 C GLU A 34 -11.792 -7.539 2.552 1.00 0.00 C ATOM 514 O GLU A 34 -12.906 -7.858 2.966 1.00 0.00 O ATOM 515 CB GLU A 34 -11.221 -5.293 3.506 1.00 0.00 C ATOM 516 CG GLU A 34 -10.451 -4.501 4.551 1.00 0.00 C ATOM 517 CD GLU A 34 -10.720 -4.986 5.962 1.00 0.00 C ATOM 518 OE1 GLU A 34 -10.225 -6.075 6.320 1.00 0.00 O ATOM 519 OE2 GLU A 34 -11.425 -4.276 6.709 1.00 0.00 O ATOM 0 H GLU A 34 -9.026 -6.017 2.631 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.844 -7.191 4.437 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.069 -4.834 2.529 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.287 -5.229 3.726 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.383 -4.573 4.343 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.720 -3.448 4.475 1.00 0.00 H new ATOM 526 N LYS A 35 -11.355 -7.836 1.337 1.00 0.00 N ATOM 527 CA LYS A 35 -12.170 -8.575 0.376 1.00 0.00 C ATOM 528 C LYS A 35 -11.429 -9.821 -0.122 1.00 0.00 C ATOM 529 O LYS A 35 -11.900 -10.942 0.067 1.00 0.00 O ATOM 530 CB LYS A 35 -12.574 -7.687 -0.814 1.00 0.00 C ATOM 531 CG LYS A 35 -12.099 -6.243 -0.716 1.00 0.00 C ATOM 532 CD LYS A 35 -11.867 -5.641 -2.093 1.00 0.00 C ATOM 533 CE LYS A 35 -13.089 -4.880 -2.583 1.00 0.00 C ATOM 534 NZ LYS A 35 -13.134 -4.802 -4.069 1.00 0.00 N ATOM 0 H LYS A 35 -10.433 -7.575 0.988 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.078 -8.890 0.890 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.176 -8.125 -1.729 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.660 -7.693 -0.903 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.839 -5.651 -0.178 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.176 -6.200 -0.138 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.009 -4.969 -2.058 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.623 -6.433 -2.801 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -13.992 -5.369 -2.217 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.081 -3.873 -2.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.981 -4.276 -4.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.285 -4.313 -4.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.168 -5.763 -4.466 1.00 0.00 H new ATOM 548 N PRO A 36 -10.253 -9.649 -0.763 1.00 0.00 N ATOM 549 CA PRO A 36 -9.464 -10.777 -1.274 1.00 0.00 C ATOM 550 C PRO A 36 -9.267 -11.870 -0.228 1.00 0.00 C ATOM 551 O PRO A 36 -9.402 -11.626 0.971 1.00 0.00 O ATOM 552 CB PRO A 36 -8.123 -10.132 -1.636 1.00 0.00 C ATOM 553 CG PRO A 36 -8.464 -8.721 -1.953 1.00 0.00 C ATOM 554 CD PRO A 36 -9.596 -8.352 -1.038 1.00 0.00 C ATOM 0 HA PRO A 36 -9.955 -11.274 -2.111 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.416 -10.194 -0.808 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.660 -10.630 -2.488 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -7.606 -8.068 -1.795 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -8.757 -8.616 -2.998 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -9.236 -7.882 -0.123 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -10.280 -7.647 -1.510 1.00 0.00 H new ATOM 562 N SER A 37 -8.948 -13.076 -0.689 1.00 0.00 N ATOM 563 CA SER A 37 -8.736 -14.206 0.208 1.00 0.00 C ATOM 564 C SER A 37 -7.248 -14.512 0.360 1.00 0.00 C ATOM 565 O SER A 37 -6.555 -14.774 -0.623 1.00 0.00 O ATOM 566 CB SER A 37 -9.474 -15.442 -0.312 1.00 0.00 C ATOM 567 OG SER A 37 -10.529 -15.810 0.558 1.00 0.00 O ATOM 0 H SER A 37 -8.831 -13.295 -1.678 1.00 0.00 H new ATOM 0 HA SER A 37 -9.133 -13.939 1.187 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.872 -15.240 -1.306 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.774 -16.272 -0.412 1.00 0.00 H new ATOM 0 HG SER A 37 -10.985 -16.601 0.202 1.00 0.00 H new ATOM 573 N ALA A 38 -6.765 -14.475 1.598 1.00 0.00 N ATOM 574 CA ALA A 38 -5.360 -14.749 1.881 1.00 0.00 C ATOM 575 C ALA A 38 -4.449 -13.813 1.092 1.00 0.00 C ATOM 576 O ALA A 38 -3.600 -14.259 0.319 1.00 0.00 O ATOM 577 CB ALA A 38 -5.034 -16.201 1.566 1.00 0.00 C ATOM 0 H ALA A 38 -7.326 -14.258 2.422 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.185 -14.572 2.942 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.983 -16.393 1.781 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.655 -16.855 2.179 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.230 -16.398 0.512 1.00 0.00 H new ATOM 583 N ASP A 39 -4.633 -12.511 1.291 1.00 0.00 N ATOM 584 CA ASP A 39 -3.830 -11.509 0.598 1.00 0.00 C ATOM 585 C ASP A 39 -3.633 -10.272 1.468 1.00 0.00 C ATOM 586 O ASP A 39 -3.965 -10.276 2.652 1.00 0.00 O ATOM 587 CB ASP A 39 -4.499 -11.117 -0.720 1.00 0.00 C ATOM 588 CG ASP A 39 -4.964 -12.322 -1.515 1.00 0.00 C ATOM 589 OD1 ASP A 39 -4.101 -13.066 -2.025 1.00 0.00 O ATOM 590 OD2 ASP A 39 -6.192 -12.523 -1.626 1.00 0.00 O ATOM 0 H ASP A 39 -5.331 -12.125 1.927 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.852 -11.943 0.389 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.352 -10.471 -0.513 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.799 -10.537 -1.321 1.00 0.00 H new ATOM 595 N TYR A 40 -3.104 -9.211 0.863 1.00 0.00 N ATOM 596 CA TYR A 40 -2.867 -7.955 1.561 1.00 0.00 C ATOM 597 C TYR A 40 -3.157 -6.823 0.616 1.00 0.00 C ATOM 598 O TYR A 40 -2.927 -6.945 -0.575 1.00 0.00 O ATOM 599 CB TYR A 40 -1.408 -7.865 2.054 1.00 0.00 C ATOM 600 CG TYR A 40 -1.247 -7.912 3.562 1.00 0.00 C ATOM 601 CD1 TYR A 40 -2.213 -8.488 4.380 1.00 0.00 C ATOM 602 CD2 TYR A 40 -0.115 -7.382 4.167 1.00 0.00 C ATOM 603 CE1 TYR A 40 -2.053 -8.533 5.751 1.00 0.00 C ATOM 604 CE2 TYR A 40 0.053 -7.426 5.538 1.00 0.00 C ATOM 605 CZ TYR A 40 -0.919 -8.002 6.325 1.00 0.00 C ATOM 606 OH TYR A 40 -0.756 -8.047 7.691 1.00 0.00 O ATOM 0 H TYR A 40 -2.830 -9.200 -0.119 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.519 -7.899 2.433 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.839 -8.685 1.615 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.970 -6.938 1.684 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -3.104 -8.907 3.936 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.649 -6.927 3.554 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.814 -8.983 6.371 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.942 -7.011 5.990 1.00 0.00 H new ATOM 0 HH TYR A 40 0.098 -7.631 7.932 1.00 0.00 H new ATOM 616 N VAL A 41 -3.674 -5.732 1.136 1.00 0.00 N ATOM 617 CA VAL A 41 -3.988 -4.596 0.288 1.00 0.00 C ATOM 618 C VAL A 41 -3.182 -3.379 0.683 1.00 0.00 C ATOM 619 O VAL A 41 -3.031 -3.067 1.862 1.00 0.00 O ATOM 620 CB VAL A 41 -5.485 -4.258 0.303 1.00 0.00 C ATOM 621 CG1 VAL A 41 -6.212 -5.129 -0.709 1.00 0.00 C ATOM 622 CG2 VAL A 41 -6.061 -4.458 1.698 1.00 0.00 C ATOM 0 H VAL A 41 -3.885 -5.604 2.126 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.719 -4.884 -0.728 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.620 -3.211 0.030 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.275 -4.889 -0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.808 -4.944 -1.705 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.074 -6.179 -0.451 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.123 -4.214 1.691 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.929 -5.497 2.001 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.543 -3.807 2.402 1.00 0.00 H new ATOM 632 N LEU A 42 -2.648 -2.708 -0.316 1.00 0.00 N ATOM 633 CA LEU A 42 -1.838 -1.535 -0.091 1.00 0.00 C ATOM 634 C LEU A 42 -2.541 -0.295 -0.585 1.00 0.00 C ATOM 635 O LEU A 42 -3.230 -0.328 -1.592 1.00 0.00 O ATOM 636 CB LEU A 42 -0.509 -1.672 -0.816 1.00 0.00 C ATOM 637 CG LEU A 42 0.418 -0.472 -0.678 1.00 0.00 C ATOM 638 CD1 LEU A 42 0.751 -0.241 0.783 1.00 0.00 C ATOM 639 CD2 LEU A 42 1.678 -0.704 -1.485 1.00 0.00 C ATOM 0 H LEU A 42 -2.763 -2.959 -1.298 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.667 -1.445 0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.005 -2.556 -0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.704 -1.843 -1.875 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.082 0.418 -1.061 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.415 0.619 0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.167 -0.051 1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.245 -1.124 1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.339 0.157 -1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.186 -1.596 -1.118 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.418 -0.840 -2.535 1.00 0.00 H new ATOM 651 N SER A 43 -2.341 0.804 0.104 1.00 0.00 N ATOM 652 CA SER A 43 -2.944 2.055 -0.313 1.00 0.00 C ATOM 653 C SER A 43 -1.943 3.174 -0.251 1.00 0.00 C ATOM 654 O SER A 43 -0.926 3.083 0.430 1.00 0.00 O ATOM 655 CB SER A 43 -4.197 2.374 0.489 1.00 0.00 C ATOM 656 OG SER A 43 -4.105 3.629 1.137 1.00 0.00 O ATOM 0 H SER A 43 -1.772 0.861 0.948 1.00 0.00 H new ATOM 0 HA SER A 43 -3.257 1.944 -1.351 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.063 2.370 -0.174 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.361 1.593 1.232 1.00 0.00 H new ATOM 0 HG SER A 43 -5.005 3.992 1.276 1.00 0.00 H new ATOM 662 N VAL A 44 -2.219 4.215 -1.002 1.00 0.00 N ATOM 663 CA VAL A 44 -1.314 5.348 -1.053 1.00 0.00 C ATOM 664 C VAL A 44 -2.050 6.650 -1.318 1.00 0.00 C ATOM 665 O VAL A 44 -2.952 6.706 -2.154 1.00 0.00 O ATOM 666 CB VAL A 44 -0.231 5.139 -2.134 1.00 0.00 C ATOM 667 CG1 VAL A 44 -0.824 5.272 -3.528 1.00 0.00 C ATOM 668 CG2 VAL A 44 0.924 6.112 -1.941 1.00 0.00 C ATOM 0 H VAL A 44 -3.053 4.305 -1.582 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.839 5.417 -0.074 1.00 0.00 H new ATOM 0 HB VAL A 44 0.160 4.127 -2.028 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.042 5.121 -4.272 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.604 4.523 -3.664 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.251 6.267 -3.648 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.674 5.945 -2.714 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.553 7.135 -2.010 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.373 5.954 -0.960 1.00 0.00 H new ATOM 678 N ARG A 45 -1.634 7.705 -0.628 1.00 0.00 N ATOM 679 CA ARG A 45 -2.233 9.015 -0.827 1.00 0.00 C ATOM 680 C ARG A 45 -1.951 9.484 -2.243 1.00 0.00 C ATOM 681 O ARG A 45 -2.540 10.451 -2.726 1.00 0.00 O ATOM 682 CB ARG A 45 -1.670 10.030 0.167 1.00 0.00 C ATOM 683 CG ARG A 45 -2.412 11.355 0.166 1.00 0.00 C ATOM 684 CD ARG A 45 -1.625 12.432 0.895 1.00 0.00 C ATOM 685 NE ARG A 45 -2.446 13.597 1.214 1.00 0.00 N ATOM 686 CZ ARG A 45 -2.614 14.636 0.398 1.00 0.00 C ATOM 687 NH1 ARG A 45 -2.033 14.654 -0.796 1.00 0.00 N ATOM 688 NH2 ARG A 45 -3.370 15.657 0.775 1.00 0.00 N ATOM 0 H ARG A 45 -0.890 7.678 0.069 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.308 8.935 -0.665 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.706 9.603 1.169 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.620 10.210 -0.065 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.597 11.670 -0.861 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.385 11.229 0.641 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.213 12.018 1.815 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.781 12.742 0.279 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.920 13.616 2.117 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.454 13.869 -1.093 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.166 15.453 -1.416 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.822 15.646 1.689 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.500 16.453 0.151 1.00 0.00 H new ATOM 702 N ASP A 46 -1.030 8.785 -2.900 1.00 0.00 N ATOM 703 CA ASP A 46 -0.648 9.126 -4.269 1.00 0.00 C ATOM 704 C ASP A 46 -0.235 10.597 -4.360 1.00 0.00 C ATOM 705 O ASP A 46 0.885 10.952 -4.002 1.00 0.00 O ATOM 706 CB ASP A 46 -1.796 8.799 -5.238 1.00 0.00 C ATOM 707 CG ASP A 46 -1.544 9.266 -6.661 1.00 0.00 C ATOM 708 OD1 ASP A 46 -1.858 10.434 -6.971 1.00 0.00 O ATOM 709 OD2 ASP A 46 -1.044 8.459 -7.472 1.00 0.00 O ATOM 0 H ASP A 46 -0.536 7.983 -2.510 1.00 0.00 H new ATOM 0 HA ASP A 46 0.214 8.524 -4.557 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.961 7.722 -5.242 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.713 9.260 -4.870 1.00 0.00 H new ATOM 714 N THR A 47 -1.139 11.444 -4.833 1.00 0.00 N ATOM 715 CA THR A 47 -0.860 12.875 -4.963 1.00 0.00 C ATOM 716 C THR A 47 -1.928 13.722 -4.268 1.00 0.00 C ATOM 717 O THR A 47 -1.766 14.931 -4.108 1.00 0.00 O ATOM 718 CB THR A 47 -0.766 13.269 -6.439 1.00 0.00 C ATOM 719 OG1 THR A 47 -0.323 14.608 -6.573 1.00 0.00 O ATOM 720 CG2 THR A 47 -2.082 13.146 -7.179 1.00 0.00 C ATOM 0 H THR A 47 -2.074 11.169 -5.134 1.00 0.00 H new ATOM 0 HA THR A 47 0.096 13.068 -4.476 1.00 0.00 H new ATOM 0 HB THR A 47 -0.054 12.570 -6.878 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.665 15.142 -5.826 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.943 13.441 -8.219 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.428 12.113 -7.137 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.823 13.796 -6.714 1.00 0.00 H new ATOM 728 N GLN A 48 -3.014 13.079 -3.861 1.00 0.00 N ATOM 729 CA GLN A 48 -4.109 13.762 -3.186 1.00 0.00 C ATOM 730 C GLN A 48 -5.059 12.746 -2.572 1.00 0.00 C ATOM 731 O GLN A 48 -4.944 12.397 -1.398 1.00 0.00 O ATOM 732 CB GLN A 48 -4.855 14.676 -4.163 1.00 0.00 C ATOM 733 CG GLN A 48 -4.255 16.070 -4.270 1.00 0.00 C ATOM 734 CD GLN A 48 -5.289 17.124 -4.614 1.00 0.00 C ATOM 735 OE1 GLN A 48 -5.934 17.059 -5.660 1.00 0.00 O ATOM 736 NE2 GLN A 48 -5.451 18.104 -3.732 1.00 0.00 N ATOM 0 H GLN A 48 -3.160 12.078 -3.988 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.697 14.380 -2.388 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.858 14.214 -5.150 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.895 14.760 -3.847 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.777 16.330 -3.325 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.475 16.069 -5.032 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.894 18.118 -2.877 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.132 18.842 -3.909 1.00 0.00 H new ATOM 745 N ALA A 49 -5.977 12.260 -3.384 1.00 0.00 N ATOM 746 CA ALA A 49 -6.936 11.260 -2.943 1.00 0.00 C ATOM 747 C ALA A 49 -6.212 9.965 -2.602 1.00 0.00 C ATOM 748 O ALA A 49 -4.981 9.928 -2.572 1.00 0.00 O ATOM 749 CB ALA A 49 -7.988 11.020 -4.016 1.00 0.00 C ATOM 0 H ALA A 49 -6.081 12.542 -4.359 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.442 11.625 -2.049 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.697 10.269 -3.669 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.517 11.951 -4.222 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.504 10.668 -4.927 1.00 0.00 H new ATOM 755 N VAL A 50 -6.964 8.904 -2.345 1.00 0.00 N ATOM 756 CA VAL A 50 -6.356 7.623 -2.009 1.00 0.00 C ATOM 757 C VAL A 50 -6.539 6.600 -3.120 1.00 0.00 C ATOM 758 O VAL A 50 -7.572 6.556 -3.788 1.00 0.00 O ATOM 759 CB VAL A 50 -6.914 7.044 -0.696 1.00 0.00 C ATOM 760 CG1 VAL A 50 -6.220 5.729 -0.356 1.00 0.00 C ATOM 761 CG2 VAL A 50 -6.746 8.048 0.429 1.00 0.00 C ATOM 0 H VAL A 50 -7.984 8.903 -2.362 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.292 7.823 -1.881 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.978 6.843 -0.824 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.626 5.333 0.575 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.387 5.011 -1.159 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.150 5.902 -0.241 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.144 7.629 1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.688 8.275 0.559 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.286 8.963 0.184 1.00 0.00 H new ATOM 771 N ARG A 51 -5.520 5.772 -3.289 1.00 0.00 N ATOM 772 CA ARG A 51 -5.530 4.723 -4.295 1.00 0.00 C ATOM 773 C ARG A 51 -5.108 3.407 -3.654 1.00 0.00 C ATOM 774 O ARG A 51 -3.948 3.232 -3.286 1.00 0.00 O ATOM 775 CB ARG A 51 -4.585 5.086 -5.438 1.00 0.00 C ATOM 776 CG ARG A 51 -4.785 6.497 -5.963 1.00 0.00 C ATOM 777 CD ARG A 51 -4.144 6.683 -7.329 1.00 0.00 C ATOM 778 NE ARG A 51 -4.850 7.678 -8.134 1.00 0.00 N ATOM 779 CZ ARG A 51 -4.750 7.766 -9.458 1.00 0.00 C ATOM 780 NH1 ARG A 51 -3.975 6.924 -10.130 1.00 0.00 N ATOM 781 NH2 ARG A 51 -5.427 8.701 -10.112 1.00 0.00 N ATOM 0 H ARG A 51 -4.665 5.808 -2.734 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.536 4.616 -4.701 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.556 4.976 -5.097 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.727 4.379 -6.255 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.851 6.714 -6.028 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.357 7.211 -5.260 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.105 6.989 -7.203 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.134 5.730 -7.858 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.455 8.344 -7.653 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.452 6.204 -9.632 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.903 6.997 -11.145 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.023 9.351 -9.600 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.351 8.770 -11.127 1.00 0.00 H new ATOM 795 N HIS A 52 -6.060 2.498 -3.495 1.00 0.00 N ATOM 796 CA HIS A 52 -5.782 1.213 -2.866 1.00 0.00 C ATOM 797 C HIS A 52 -5.239 0.209 -3.873 1.00 0.00 C ATOM 798 O HIS A 52 -5.253 0.458 -5.078 1.00 0.00 O ATOM 799 CB HIS A 52 -7.051 0.680 -2.211 1.00 0.00 C ATOM 800 CG HIS A 52 -7.570 1.626 -1.190 1.00 0.00 C ATOM 801 ND1 HIS A 52 -7.010 1.735 0.056 1.00 0.00 N ATOM 802 CD2 HIS A 52 -8.520 2.585 -1.265 1.00 0.00 C ATOM 803 CE1 HIS A 52 -7.573 2.728 0.702 1.00 0.00 C ATOM 804 NE2 HIS A 52 -8.501 3.264 -0.073 1.00 0.00 N ATOM 0 H HIS A 52 -7.028 2.625 -3.791 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.016 1.360 -2.104 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -7.812 0.510 -2.973 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.845 -0.284 -1.745 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -6.270 1.137 0.424 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -9.171 2.780 -2.105 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.321 3.054 1.700 1.00 0.00 H new ATOM 813 N TYR A 53 -4.733 -0.913 -3.370 1.00 0.00 N ATOM 814 CA TYR A 53 -4.153 -1.933 -4.229 1.00 0.00 C ATOM 815 C TYR A 53 -4.229 -3.317 -3.598 1.00 0.00 C ATOM 816 O TYR A 53 -3.888 -3.502 -2.431 1.00 0.00 O ATOM 817 CB TYR A 53 -2.688 -1.596 -4.508 1.00 0.00 C ATOM 818 CG TYR A 53 -2.446 -0.135 -4.802 1.00 0.00 C ATOM 819 CD1 TYR A 53 -2.761 0.392 -6.042 1.00 0.00 C ATOM 820 CD2 TYR A 53 -1.900 0.715 -3.844 1.00 0.00 C ATOM 821 CE1 TYR A 53 -2.542 1.722 -6.331 1.00 0.00 C ATOM 822 CE2 TYR A 53 -1.679 2.050 -4.124 1.00 0.00 C ATOM 823 CZ TYR A 53 -2.001 2.546 -5.370 1.00 0.00 C ATOM 824 OH TYR A 53 -1.781 3.870 -5.657 1.00 0.00 O ATOM 0 H TYR A 53 -4.714 -1.136 -2.375 1.00 0.00 H new ATOM 0 HA TYR A 53 -4.727 -1.948 -5.156 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.087 -1.889 -3.647 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.343 -2.190 -5.354 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.187 -0.251 -6.798 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.646 0.326 -2.869 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.793 2.115 -7.305 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.257 2.701 -3.372 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.400 4.160 -6.359 1.00 0.00 H new ATOM 834 N LYS A 54 -4.654 -4.288 -4.393 1.00 0.00 N ATOM 835 CA LYS A 54 -4.749 -5.665 -3.944 1.00 0.00 C ATOM 836 C LYS A 54 -3.400 -6.355 -4.101 1.00 0.00 C ATOM 837 O LYS A 54 -2.936 -6.580 -5.217 1.00 0.00 O ATOM 838 CB LYS A 54 -5.813 -6.410 -4.750 1.00 0.00 C ATOM 839 CG LYS A 54 -6.368 -7.635 -4.049 1.00 0.00 C ATOM 840 CD LYS A 54 -6.586 -8.785 -5.019 1.00 0.00 C ATOM 841 CE LYS A 54 -5.269 -9.305 -5.576 1.00 0.00 C ATOM 842 NZ LYS A 54 -5.476 -10.276 -6.687 1.00 0.00 N ATOM 0 H LYS A 54 -4.941 -4.143 -5.361 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.034 -5.674 -2.892 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.633 -5.726 -4.970 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.385 -6.713 -5.706 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.681 -7.947 -3.262 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.312 -7.382 -3.566 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.112 -9.594 -4.513 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.223 -8.454 -5.839 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.671 -8.467 -5.934 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.702 -9.783 -4.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.683 -10.211 -7.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.525 -11.240 -6.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.365 -10.055 -7.180 1.00 0.00 H new ATOM 856 N ILE A 55 -2.782 -6.696 -2.979 1.00 0.00 N ATOM 857 CA ILE A 55 -1.492 -7.368 -2.981 1.00 0.00 C ATOM 858 C ILE A 55 -1.719 -8.867 -2.845 1.00 0.00 C ATOM 859 O ILE A 55 -1.973 -9.368 -1.750 1.00 0.00 O ATOM 860 CB ILE A 55 -0.586 -6.881 -1.825 1.00 0.00 C ATOM 861 CG1 ILE A 55 -0.881 -5.426 -1.426 1.00 0.00 C ATOM 862 CG2 ILE A 55 0.881 -7.027 -2.188 1.00 0.00 C ATOM 863 CD1 ILE A 55 -0.537 -5.135 0.018 1.00 0.00 C ATOM 0 H ILE A 55 -3.158 -6.516 -2.048 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.988 -7.135 -3.919 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.809 -7.514 -0.966 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.315 -4.755 -2.072 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.937 -5.215 -1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.497 -6.678 -1.359 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.103 -8.075 -2.390 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.097 -6.433 -3.076 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.766 -4.093 0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.122 -5.784 0.669 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.525 -5.317 0.183 1.00 0.00 H new ATOM 875 N TRP A 56 -1.662 -9.571 -3.965 1.00 0.00 N ATOM 876 CA TRP A 56 -1.903 -11.011 -3.971 1.00 0.00 C ATOM 877 C TRP A 56 -0.644 -11.802 -3.641 1.00 0.00 C ATOM 878 O TRP A 56 0.458 -11.447 -4.060 1.00 0.00 O ATOM 879 CB TRP A 56 -2.456 -11.448 -5.327 1.00 0.00 C ATOM 880 CG TRP A 56 -2.983 -12.851 -5.328 1.00 0.00 C ATOM 881 CD1 TRP A 56 -2.307 -13.981 -5.688 1.00 0.00 C ATOM 882 CD2 TRP A 56 -4.299 -13.275 -4.949 1.00 0.00 C ATOM 883 NE1 TRP A 56 -3.120 -15.080 -5.558 1.00 0.00 N ATOM 884 CE2 TRP A 56 -4.347 -14.674 -5.107 1.00 0.00 C ATOM 885 CE3 TRP A 56 -5.441 -12.610 -4.493 1.00 0.00 C ATOM 886 CZ2 TRP A 56 -5.491 -15.416 -4.823 1.00 0.00 C ATOM 887 CZ3 TRP A 56 -6.575 -13.349 -4.212 1.00 0.00 C ATOM 888 CH2 TRP A 56 -6.593 -14.738 -4.378 1.00 0.00 C ATOM 0 H TRP A 56 -1.452 -9.173 -4.880 1.00 0.00 H new ATOM 0 HA TRP A 56 -2.637 -11.222 -3.194 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.254 -10.767 -5.623 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -1.670 -11.362 -6.077 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -1.282 -14.007 -6.026 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -2.853 -16.043 -5.764 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -5.437 -11.538 -4.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -5.508 -16.488 -4.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -7.462 -12.845 -3.858 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -7.495 -15.286 -4.150 1.00 0.00 H new ATOM 899 N ARG A 57 -0.826 -12.886 -2.893 1.00 0.00 N ATOM 900 CA ARG A 57 0.280 -13.749 -2.504 1.00 0.00 C ATOM 901 C ARG A 57 0.448 -14.885 -3.507 1.00 0.00 C ATOM 902 O ARG A 57 -0.516 -15.309 -4.145 1.00 0.00 O ATOM 903 CB ARG A 57 0.043 -14.318 -1.104 1.00 0.00 C ATOM 904 CG ARG A 57 1.324 -14.610 -0.341 1.00 0.00 C ATOM 905 CD ARG A 57 1.114 -15.696 0.702 1.00 0.00 C ATOM 906 NE ARG A 57 1.890 -15.447 1.915 1.00 0.00 N ATOM 907 CZ ARG A 57 2.165 -16.379 2.823 1.00 0.00 C ATOM 908 NH1 ARG A 57 1.731 -17.624 2.660 1.00 0.00 N ATOM 909 NH2 ARG A 57 2.876 -16.068 3.898 1.00 0.00 N ATOM 0 H ARG A 57 -1.736 -13.187 -2.543 1.00 0.00 H new ATOM 0 HA ARG A 57 1.193 -13.154 -2.493 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.558 -13.612 -0.531 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.538 -15.237 -1.188 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.102 -14.919 -1.039 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.675 -13.700 0.145 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.055 -15.756 0.955 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.397 -16.661 0.282 1.00 0.00 H new ATOM 0 HE ARG A 57 2.241 -14.503 2.075 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.184 -17.869 1.835 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.945 -18.334 3.360 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.212 -15.114 4.029 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.087 -16.783 4.594 1.00 0.00 H new ATOM 923 N ARG A 58 1.674 -15.373 -3.647 1.00 0.00 N ATOM 924 CA ARG A 58 1.960 -16.458 -4.581 1.00 0.00 C ATOM 925 C ARG A 58 1.911 -17.817 -3.886 1.00 0.00 C ATOM 926 O ARG A 58 2.515 -18.782 -4.353 1.00 0.00 O ATOM 927 CB ARG A 58 3.330 -16.247 -5.223 1.00 0.00 C ATOM 928 CG ARG A 58 3.276 -15.460 -6.525 1.00 0.00 C ATOM 929 CD ARG A 58 3.727 -16.301 -7.709 1.00 0.00 C ATOM 930 NE ARG A 58 2.600 -16.917 -8.405 1.00 0.00 N ATOM 931 CZ ARG A 58 1.726 -16.238 -9.145 1.00 0.00 C ATOM 932 NH1 ARG A 58 1.845 -14.924 -9.289 1.00 0.00 N ATOM 933 NH2 ARG A 58 0.729 -16.876 -9.743 1.00 0.00 N ATOM 0 H ARG A 58 2.485 -15.037 -3.128 1.00 0.00 H new ATOM 0 HA ARG A 58 1.193 -16.448 -5.355 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.976 -15.724 -4.518 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.787 -17.218 -5.413 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.259 -15.107 -6.695 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.910 -14.577 -6.443 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.285 -15.676 -8.406 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.408 -17.079 -7.363 1.00 0.00 H new ATOM 0 HE ARG A 58 2.475 -17.926 -8.319 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.610 -14.428 -8.831 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.172 -14.410 -9.857 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.632 -17.886 -9.636 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.059 -16.357 -10.310 1.00 0.00 H new ATOM 947 N ALA A 59 1.185 -17.889 -2.772 1.00 0.00 N ATOM 948 CA ALA A 59 1.055 -19.132 -2.018 1.00 0.00 C ATOM 949 C ALA A 59 2.418 -19.760 -1.736 1.00 0.00 C ATOM 950 O ALA A 59 2.526 -20.974 -1.559 1.00 0.00 O ATOM 951 CB ALA A 59 0.168 -20.113 -2.771 1.00 0.00 C ATOM 0 H ALA A 59 0.678 -17.100 -2.372 1.00 0.00 H new ATOM 0 HA ALA A 59 0.593 -18.895 -1.060 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.079 -21.036 -2.198 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.821 -19.676 -2.911 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.610 -20.330 -3.743 1.00 0.00 H new ATOM 957 N GLY A 60 3.453 -18.928 -1.695 1.00 0.00 N ATOM 958 CA GLY A 60 4.791 -19.424 -1.435 1.00 0.00 C ATOM 959 C GLY A 60 5.769 -18.310 -1.121 1.00 0.00 C ATOM 960 O GLY A 60 6.962 -18.427 -1.399 1.00 0.00 O ATOM 0 H GLY A 60 3.389 -17.920 -1.837 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.760 -20.123 -0.599 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.144 -19.980 -2.303 1.00 0.00 H new ATOM 964 N GLY A 61 5.263 -17.226 -0.541 1.00 0.00 N ATOM 965 CA GLY A 61 6.115 -16.103 -0.200 1.00 0.00 C ATOM 966 C GLY A 61 6.404 -15.209 -1.389 1.00 0.00 C ATOM 967 O GLY A 61 7.503 -15.237 -1.941 1.00 0.00 O ATOM 0 H GLY A 61 4.279 -17.106 -0.302 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.638 -15.515 0.585 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.055 -16.475 0.207 1.00 0.00 H new ATOM 971 N ARG A 62 5.415 -14.411 -1.783 1.00 0.00 N ATOM 972 CA ARG A 62 5.572 -13.501 -2.913 1.00 0.00 C ATOM 973 C ARG A 62 4.314 -12.665 -3.121 1.00 0.00 C ATOM 974 O ARG A 62 3.220 -13.198 -3.297 1.00 0.00 O ATOM 975 CB ARG A 62 5.906 -14.279 -4.189 1.00 0.00 C ATOM 976 CG ARG A 62 7.181 -13.807 -4.869 1.00 0.00 C ATOM 977 CD ARG A 62 7.236 -14.256 -6.320 1.00 0.00 C ATOM 978 NE ARG A 62 8.600 -14.252 -6.842 1.00 0.00 N ATOM 979 CZ ARG A 62 9.558 -15.074 -6.419 1.00 0.00 C ATOM 980 NH1 ARG A 62 9.304 -15.969 -5.472 1.00 0.00 N ATOM 981 NH2 ARG A 62 10.774 -15.002 -6.946 1.00 0.00 N ATOM 0 H ARG A 62 4.498 -14.376 -1.337 1.00 0.00 H new ATOM 0 HA ARG A 62 6.398 -12.827 -2.687 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.004 -15.337 -3.945 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.075 -14.188 -4.889 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.239 -12.720 -4.821 1.00 0.00 H new ATOM 0 HG3 ARG A 62 8.046 -14.197 -4.333 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.818 -15.259 -6.405 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.613 -13.599 -6.927 1.00 0.00 H new ATOM 0 HE ARG A 62 8.832 -13.580 -7.573 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.371 -16.029 -5.065 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.042 -16.596 -5.152 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.974 -14.317 -7.675 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.508 -15.632 -6.622 1.00 0.00 H new ATOM 995 N LEU A 63 4.486 -11.348 -3.098 1.00 0.00 N ATOM 996 CA LEU A 63 3.376 -10.421 -3.281 1.00 0.00 C ATOM 997 C LEU A 63 3.449 -9.745 -4.639 1.00 0.00 C ATOM 998 O LEU A 63 4.533 -9.486 -5.156 1.00 0.00 O ATOM 999 CB LEU A 63 3.387 -9.352 -2.189 1.00 0.00 C ATOM 1000 CG LEU A 63 2.923 -9.830 -0.816 1.00 0.00 C ATOM 1001 CD1 LEU A 63 1.427 -10.112 -0.827 1.00 0.00 C ATOM 1002 CD2 LEU A 63 3.701 -11.069 -0.397 1.00 0.00 C ATOM 0 H LEU A 63 5.389 -10.897 -2.954 1.00 0.00 H new ATOM 0 HA LEU A 63 2.452 -10.996 -3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.399 -8.958 -2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.750 -8.525 -2.504 1.00 0.00 H new ATOM 0 HG LEU A 63 3.116 -9.041 -0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.114 -10.452 0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.887 -9.201 -1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.208 -10.885 -1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.359 -11.399 0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.538 -11.864 -1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.764 -10.833 -0.350 1.00 0.00 H new ATOM 1014 N HIS A 64 2.289 -9.444 -5.203 1.00 0.00 N ATOM 1015 CA HIS A 64 2.225 -8.780 -6.492 1.00 0.00 C ATOM 1016 C HIS A 64 0.911 -8.028 -6.647 1.00 0.00 C ATOM 1017 O HIS A 64 -0.134 -8.629 -6.895 1.00 0.00 O ATOM 1018 CB HIS A 64 2.408 -9.788 -7.633 1.00 0.00 C ATOM 1019 CG HIS A 64 1.288 -10.773 -7.767 1.00 0.00 C ATOM 1020 ND1 HIS A 64 0.187 -10.554 -8.567 1.00 0.00 N ATOM 1021 CD2 HIS A 64 1.110 -11.995 -7.213 1.00 0.00 C ATOM 1022 CE1 HIS A 64 -0.619 -11.597 -8.499 1.00 0.00 C ATOM 1023 NE2 HIS A 64 -0.082 -12.488 -7.685 1.00 0.00 N ATOM 0 H HIS A 64 1.381 -9.650 -4.787 1.00 0.00 H new ATOM 0 HA HIS A 64 3.040 -8.058 -6.541 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.512 -9.243 -8.571 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.339 -10.333 -7.476 1.00 0.00 H new ATOM 0 HD1 HIS A 64 0.021 -9.716 -9.125 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.781 -12.491 -6.527 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -1.559 -11.704 -9.021 1.00 0.00 H new ATOM 1032 N LEU A 65 0.967 -6.710 -6.503 1.00 0.00 N ATOM 1033 CA LEU A 65 -0.228 -5.890 -6.640 1.00 0.00 C ATOM 1034 C LEU A 65 -0.804 -6.049 -8.040 1.00 0.00 C ATOM 1035 O LEU A 65 -2.001 -5.867 -8.267 1.00 0.00 O ATOM 1036 CB LEU A 65 0.091 -4.419 -6.374 1.00 0.00 C ATOM 1037 CG LEU A 65 0.213 -4.043 -4.900 1.00 0.00 C ATOM 1038 CD1 LEU A 65 1.296 -4.871 -4.236 1.00 0.00 C ATOM 1039 CD2 LEU A 65 0.509 -2.559 -4.748 1.00 0.00 C ATOM 0 H LEU A 65 1.819 -6.190 -6.293 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.962 -6.222 -5.906 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.026 -4.169 -6.876 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.688 -3.806 -6.827 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.737 -4.253 -4.409 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.373 -4.593 -3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.045 -5.929 -4.314 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.250 -4.687 -4.731 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.592 -2.311 -3.690 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.446 -2.322 -5.251 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.299 -1.979 -5.194 1.00 0.00 H new ATOM 1051 N ASN A 66 0.076 -6.399 -8.967 1.00 0.00 N ATOM 1052 CA ASN A 66 -0.292 -6.604 -10.359 1.00 0.00 C ATOM 1053 C ASN A 66 0.575 -7.698 -10.975 1.00 0.00 C ATOM 1054 O ASN A 66 1.435 -8.271 -10.305 1.00 0.00 O ATOM 1055 CB ASN A 66 -0.143 -5.303 -11.150 1.00 0.00 C ATOM 1056 CG ASN A 66 -1.326 -5.044 -12.063 1.00 0.00 C ATOM 1057 OD1 ASN A 66 -2.443 -5.484 -11.790 1.00 0.00 O ATOM 1058 ND2 ASN A 66 -1.085 -4.327 -13.154 1.00 0.00 N ATOM 0 H ASN A 66 1.066 -6.549 -8.774 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.336 -6.916 -10.400 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -0.033 -4.469 -10.456 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.769 -5.345 -11.745 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.842 -4.121 -13.806 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -0.143 -3.983 -13.340 1.00 0.00 H new ATOM 1065 N GLU A 67 0.348 -7.983 -12.252 1.00 0.00 N ATOM 1066 CA GLU A 67 1.110 -9.014 -12.949 1.00 0.00 C ATOM 1067 C GLU A 67 2.473 -8.501 -13.410 1.00 0.00 C ATOM 1068 O GLU A 67 3.043 -9.019 -14.370 1.00 0.00 O ATOM 1069 CB GLU A 67 0.318 -9.532 -14.151 1.00 0.00 C ATOM 1070 CG GLU A 67 -0.668 -10.635 -13.799 1.00 0.00 C ATOM 1071 CD GLU A 67 -0.293 -11.972 -14.409 1.00 0.00 C ATOM 1072 OE1 GLU A 67 0.919 -12.235 -14.561 1.00 0.00 O ATOM 1073 OE2 GLU A 67 -1.209 -12.755 -14.735 1.00 0.00 O ATOM 0 H GLU A 67 -0.355 -7.517 -12.825 1.00 0.00 H new ATOM 0 HA GLU A 67 1.281 -9.828 -12.244 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.224 -8.702 -14.604 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.015 -9.905 -14.902 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.721 -10.737 -12.715 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.663 -10.350 -14.141 1.00 0.00 H new ATOM 1080 N ALA A 68 2.995 -7.484 -12.729 1.00 0.00 N ATOM 1081 CA ALA A 68 4.291 -6.921 -13.088 1.00 0.00 C ATOM 1082 C ALA A 68 5.051 -6.404 -11.865 1.00 0.00 C ATOM 1083 O ALA A 68 6.086 -5.754 -12.009 1.00 0.00 O ATOM 1084 CB ALA A 68 4.113 -5.806 -14.106 1.00 0.00 C ATOM 0 H ALA A 68 2.543 -7.036 -11.931 1.00 0.00 H new ATOM 0 HA ALA A 68 4.886 -7.722 -13.527 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.087 -5.393 -14.367 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.636 -6.204 -15.002 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.488 -5.021 -13.680 1.00 0.00 H new ATOM 1090 N VAL A 69 4.544 -6.686 -10.664 1.00 0.00 N ATOM 1091 CA VAL A 69 5.209 -6.227 -9.444 1.00 0.00 C ATOM 1092 C VAL A 69 5.282 -7.333 -8.393 1.00 0.00 C ATOM 1093 O VAL A 69 4.781 -7.177 -7.281 1.00 0.00 O ATOM 1094 CB VAL A 69 4.495 -4.999 -8.845 1.00 0.00 C ATOM 1095 CG1 VAL A 69 4.468 -3.858 -9.849 1.00 0.00 C ATOM 1096 CG2 VAL A 69 3.083 -5.358 -8.399 1.00 0.00 C ATOM 0 H VAL A 69 3.689 -7.221 -10.510 1.00 0.00 H new ATOM 0 HA VAL A 69 6.223 -5.946 -9.727 1.00 0.00 H new ATOM 0 HB VAL A 69 5.053 -4.672 -7.968 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.960 -2.999 -9.410 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.489 -3.581 -10.112 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.935 -4.175 -10.746 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.599 -4.476 -7.980 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.510 -5.714 -9.255 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.129 -6.141 -7.642 1.00 0.00 H new ATOM 1106 N SER A 70 5.910 -8.448 -8.750 1.00 0.00 N ATOM 1107 CA SER A 70 6.041 -9.578 -7.834 1.00 0.00 C ATOM 1108 C SER A 70 7.255 -9.422 -6.919 1.00 0.00 C ATOM 1109 O SER A 70 8.353 -9.096 -7.374 1.00 0.00 O ATOM 1110 CB SER A 70 6.147 -10.885 -8.621 1.00 0.00 C ATOM 1111 OG SER A 70 7.212 -10.834 -9.554 1.00 0.00 O ATOM 0 H SER A 70 6.336 -8.595 -9.665 1.00 0.00 H new ATOM 0 HA SER A 70 5.149 -9.602 -7.208 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.302 -11.716 -7.933 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.210 -11.075 -9.144 1.00 0.00 H new ATOM 0 HG SER A 70 7.259 -11.682 -10.043 1.00 0.00 H new ATOM 1117 N PHE A 71 7.049 -9.667 -5.627 1.00 0.00 N ATOM 1118 CA PHE A 71 8.119 -9.567 -4.636 1.00 0.00 C ATOM 1119 C PHE A 71 7.820 -10.443 -3.427 1.00 0.00 C ATOM 1120 O PHE A 71 6.778 -10.309 -2.789 1.00 0.00 O ATOM 1121 CB PHE A 71 8.324 -8.113 -4.205 1.00 0.00 C ATOM 1122 CG PHE A 71 9.701 -7.595 -4.512 1.00 0.00 C ATOM 1123 CD1 PHE A 71 10.811 -8.121 -3.872 1.00 0.00 C ATOM 1124 CD2 PHE A 71 9.888 -6.585 -5.445 1.00 0.00 C ATOM 1125 CE1 PHE A 71 12.080 -7.653 -4.154 1.00 0.00 C ATOM 1126 CE2 PHE A 71 11.156 -6.112 -5.730 1.00 0.00 C ATOM 1127 CZ PHE A 71 12.252 -6.647 -5.084 1.00 0.00 C ATOM 0 H PHE A 71 6.145 -9.938 -5.240 1.00 0.00 H new ATOM 0 HA PHE A 71 9.040 -9.922 -5.097 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.586 -7.485 -4.705 1.00 0.00 H new ATOM 0 HB3 PHE A 71 8.141 -8.029 -3.134 1.00 0.00 H new ATOM 0 HD1 PHE A 71 10.683 -8.907 -3.143 1.00 0.00 H new ATOM 0 HD2 PHE A 71 9.034 -6.164 -5.954 1.00 0.00 H new ATOM 0 HE1 PHE A 71 12.936 -8.073 -3.648 1.00 0.00 H new ATOM 0 HE2 PHE A 71 11.288 -5.325 -6.457 1.00 0.00 H new ATOM 0 HZ PHE A 71 13.243 -6.279 -5.306 1.00 0.00 H new ATOM 1137 N LEU A 72 8.758 -11.340 -3.137 1.00 0.00 N ATOM 1138 CA LEU A 72 8.670 -12.285 -2.018 1.00 0.00 C ATOM 1139 C LEU A 72 7.758 -11.803 -0.884 1.00 0.00 C ATOM 1140 O LEU A 72 7.007 -12.592 -0.311 1.00 0.00 O ATOM 1141 CB LEU A 72 10.071 -12.535 -1.471 1.00 0.00 C ATOM 1142 CG LEU A 72 10.943 -11.284 -1.380 1.00 0.00 C ATOM 1143 CD1 LEU A 72 10.696 -10.564 -0.060 1.00 0.00 C ATOM 1144 CD2 LEU A 72 12.413 -11.642 -1.533 1.00 0.00 C ATOM 0 H LEU A 72 9.617 -11.436 -3.679 1.00 0.00 H new ATOM 0 HA LEU A 72 8.227 -13.202 -2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.987 -12.978 -0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.571 -13.267 -2.106 1.00 0.00 H new ATOM 0 HG LEU A 72 10.673 -10.612 -2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.324 -9.674 -0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.648 -10.273 0.005 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.940 -11.229 0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 72 13.017 -10.737 -1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 72 12.704 -12.332 -0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 72 12.574 -12.114 -2.503 1.00 0.00 H new ATOM 1156 N SER A 73 7.832 -10.516 -0.554 1.00 0.00 N ATOM 1157 CA SER A 73 7.015 -9.960 0.520 1.00 0.00 C ATOM 1158 C SER A 73 6.651 -8.505 0.245 1.00 0.00 C ATOM 1159 O SER A 73 7.256 -7.855 -0.607 1.00 0.00 O ATOM 1160 CB SER A 73 7.753 -10.068 1.855 1.00 0.00 C ATOM 1161 OG SER A 73 6.873 -9.852 2.944 1.00 0.00 O ATOM 0 H SER A 73 8.446 -9.842 -1.012 1.00 0.00 H new ATOM 0 HA SER A 73 6.092 -10.537 0.570 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.210 -11.054 1.943 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.562 -9.338 1.887 1.00 0.00 H new ATOM 0 HG SER A 73 7.369 -9.928 3.786 1.00 0.00 H new ATOM 1167 N LEU A 74 5.660 -7.995 0.978 1.00 0.00 N ATOM 1168 CA LEU A 74 5.228 -6.612 0.810 1.00 0.00 C ATOM 1169 C LEU A 74 6.408 -5.654 0.956 1.00 0.00 C ATOM 1170 O LEU A 74 6.671 -4.846 0.070 1.00 0.00 O ATOM 1171 CB LEU A 74 4.149 -6.236 1.823 1.00 0.00 C ATOM 1172 CG LEU A 74 2.748 -6.006 1.241 1.00 0.00 C ATOM 1173 CD1 LEU A 74 2.812 -5.376 -0.144 1.00 0.00 C ATOM 1174 CD2 LEU A 74 1.962 -7.308 1.211 1.00 0.00 C ATOM 0 H LEU A 74 5.146 -8.517 1.688 1.00 0.00 H new ATOM 0 HA LEU A 74 4.812 -6.526 -0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.087 -7.026 2.572 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.462 -5.329 2.341 1.00 0.00 H new ATOM 0 HG LEU A 74 2.228 -5.304 1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.801 -5.228 -0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.321 -4.414 -0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.360 -6.034 -0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.971 -7.125 0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.487 -8.036 0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.864 -7.697 2.224 1.00 0.00 H new ATOM 1186 N PRO A 75 7.142 -5.729 2.088 1.00 0.00 N ATOM 1187 CA PRO A 75 8.294 -4.863 2.347 1.00 0.00 C ATOM 1188 C PRO A 75 9.188 -4.720 1.123 1.00 0.00 C ATOM 1189 O PRO A 75 9.477 -3.609 0.679 1.00 0.00 O ATOM 1190 CB PRO A 75 9.042 -5.568 3.491 1.00 0.00 C ATOM 1191 CG PRO A 75 8.304 -6.844 3.749 1.00 0.00 C ATOM 1192 CD PRO A 75 6.917 -6.652 3.206 1.00 0.00 C ATOM 0 HA PRO A 75 7.989 -3.847 2.599 1.00 0.00 H new ATOM 0 HB2 PRO A 75 10.078 -5.766 3.215 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.064 -4.944 4.384 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.799 -7.684 3.261 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.276 -7.067 4.816 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.477 -7.592 2.874 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.243 -6.230 3.952 1.00 0.00 H new ATOM 1200 N GLU A 76 9.612 -5.850 0.570 1.00 0.00 N ATOM 1201 CA GLU A 76 10.456 -5.839 -0.616 1.00 0.00 C ATOM 1202 C GLU A 76 9.652 -5.355 -1.814 1.00 0.00 C ATOM 1203 O GLU A 76 10.160 -4.638 -2.675 1.00 0.00 O ATOM 1204 CB GLU A 76 11.021 -7.233 -0.886 1.00 0.00 C ATOM 1205 CG GLU A 76 11.812 -7.806 0.279 1.00 0.00 C ATOM 1206 CD GLU A 76 12.829 -6.829 0.837 1.00 0.00 C ATOM 1207 OE1 GLU A 76 12.412 -5.801 1.411 1.00 0.00 O ATOM 1208 OE2 GLU A 76 14.042 -7.091 0.701 1.00 0.00 O ATOM 0 H GLU A 76 9.386 -6.780 0.922 1.00 0.00 H new ATOM 0 HA GLU A 76 11.291 -5.159 -0.447 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.200 -7.909 -1.124 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.664 -7.191 -1.765 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.123 -8.098 1.071 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.325 -8.711 -0.046 1.00 0.00 H new ATOM 1215 N LEU A 77 8.382 -5.746 -1.846 1.00 0.00 N ATOM 1216 CA LEU A 77 7.483 -5.348 -2.922 1.00 0.00 C ATOM 1217 C LEU A 77 7.355 -3.830 -2.965 1.00 0.00 C ATOM 1218 O LEU A 77 7.649 -3.203 -3.982 1.00 0.00 O ATOM 1219 CB LEU A 77 6.111 -5.995 -2.722 1.00 0.00 C ATOM 1220 CG LEU A 77 4.940 -5.275 -3.394 1.00 0.00 C ATOM 1221 CD1 LEU A 77 3.865 -6.274 -3.787 1.00 0.00 C ATOM 1222 CD2 LEU A 77 4.373 -4.201 -2.471 1.00 0.00 C ATOM 0 H LEU A 77 7.952 -6.340 -1.137 1.00 0.00 H new ATOM 0 HA LEU A 77 7.894 -5.687 -3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.152 -7.017 -3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.911 -6.058 -1.652 1.00 0.00 H new ATOM 0 HG LEU A 77 5.302 -4.787 -4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.037 -5.749 -4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.282 -7.002 -4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.503 -6.788 -2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.541 -3.699 -2.965 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.022 -4.663 -1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.150 -3.473 -2.240 1.00 0.00 H new ATOM 1234 N VAL A 78 6.929 -3.241 -1.849 1.00 0.00 N ATOM 1235 CA VAL A 78 6.783 -1.795 -1.760 1.00 0.00 C ATOM 1236 C VAL A 78 8.069 -1.120 -2.229 1.00 0.00 C ATOM 1237 O VAL A 78 8.047 -0.015 -2.772 1.00 0.00 O ATOM 1238 CB VAL A 78 6.436 -1.350 -0.317 1.00 0.00 C ATOM 1239 CG1 VAL A 78 6.456 0.167 -0.179 1.00 0.00 C ATOM 1240 CG2 VAL A 78 5.075 -1.901 0.095 1.00 0.00 C ATOM 0 H VAL A 78 6.680 -3.744 -0.997 1.00 0.00 H new ATOM 0 HA VAL A 78 5.958 -1.493 -2.406 1.00 0.00 H new ATOM 0 HB VAL A 78 7.199 -1.755 0.348 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.208 0.442 0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.450 0.542 -0.425 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.725 0.604 -0.859 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.845 -1.580 1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.310 -1.527 -0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.096 -2.990 0.055 1.00 0.00 H new ATOM 1250 N ASN A 79 9.190 -1.819 -2.047 1.00 0.00 N ATOM 1251 CA ASN A 79 10.482 -1.310 -2.482 1.00 0.00 C ATOM 1252 C ASN A 79 10.480 -1.160 -3.998 1.00 0.00 C ATOM 1253 O ASN A 79 11.053 -0.217 -4.542 1.00 0.00 O ATOM 1254 CB ASN A 79 11.605 -2.254 -2.045 1.00 0.00 C ATOM 1255 CG ASN A 79 12.900 -1.519 -1.759 1.00 0.00 C ATOM 1256 OD1 ASN A 79 13.451 -1.614 -0.661 1.00 0.00 O ATOM 1257 ND2 ASN A 79 13.394 -0.782 -2.746 1.00 0.00 N ATOM 0 H ASN A 79 9.225 -2.736 -1.602 1.00 0.00 H new ATOM 0 HA ASN A 79 10.656 -0.337 -2.022 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.293 -2.796 -1.152 1.00 0.00 H new ATOM 0 HB3 ASN A 79 11.776 -2.996 -2.825 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.263 -0.266 -2.611 1.00 0.00 H new ATOM 0 HD22 ASN A 79 12.904 -0.732 -3.639 1.00 0.00 H new ATOM 1264 N TYR A 80 9.802 -2.089 -4.671 1.00 0.00 N ATOM 1265 CA TYR A 80 9.690 -2.050 -6.121 1.00 0.00 C ATOM 1266 C TYR A 80 8.782 -0.900 -6.521 1.00 0.00 C ATOM 1267 O TYR A 80 9.075 -0.145 -7.449 1.00 0.00 O ATOM 1268 CB TYR A 80 9.127 -3.370 -6.651 1.00 0.00 C ATOM 1269 CG TYR A 80 9.177 -3.489 -8.157 1.00 0.00 C ATOM 1270 CD1 TYR A 80 10.293 -4.018 -8.795 1.00 0.00 C ATOM 1271 CD2 TYR A 80 8.109 -3.072 -8.941 1.00 0.00 C ATOM 1272 CE1 TYR A 80 10.342 -4.127 -10.171 1.00 0.00 C ATOM 1273 CE2 TYR A 80 8.151 -3.179 -10.319 1.00 0.00 C ATOM 1274 CZ TYR A 80 9.269 -3.707 -10.928 1.00 0.00 C ATOM 1275 OH TYR A 80 9.315 -3.815 -12.300 1.00 0.00 O ATOM 0 H TYR A 80 9.324 -2.876 -4.232 1.00 0.00 H new ATOM 0 HA TYR A 80 10.680 -1.902 -6.552 1.00 0.00 H new ATOM 0 HB2 TYR A 80 9.686 -4.196 -6.211 1.00 0.00 H new ATOM 0 HB3 TYR A 80 8.093 -3.473 -6.321 1.00 0.00 H new ATOM 0 HD1 TYR A 80 11.135 -4.349 -8.205 1.00 0.00 H new ATOM 0 HD2 TYR A 80 7.232 -2.658 -8.467 1.00 0.00 H new ATOM 0 HE1 TYR A 80 11.217 -4.539 -10.652 1.00 0.00 H new ATOM 0 HE2 TYR A 80 7.312 -2.851 -10.915 1.00 0.00 H new ATOM 0 HH TYR A 80 8.479 -3.476 -12.683 1.00 0.00 H new ATOM 1285 N HIS A 81 7.683 -0.762 -5.786 1.00 0.00 N ATOM 1286 CA HIS A 81 6.731 0.308 -6.025 1.00 0.00 C ATOM 1287 C HIS A 81 7.393 1.652 -5.759 1.00 0.00 C ATOM 1288 O HIS A 81 7.044 2.663 -6.371 1.00 0.00 O ATOM 1289 CB HIS A 81 5.509 0.147 -5.118 1.00 0.00 C ATOM 1290 CG HIS A 81 4.652 -1.032 -5.458 1.00 0.00 C ATOM 1291 ND1 HIS A 81 3.509 -0.934 -6.219 1.00 0.00 N ATOM 1292 CD2 HIS A 81 4.786 -2.342 -5.147 1.00 0.00 C ATOM 1293 CE1 HIS A 81 2.979 -2.135 -6.368 1.00 0.00 C ATOM 1294 NE2 HIS A 81 3.735 -3.009 -5.727 1.00 0.00 N ATOM 0 H HIS A 81 7.432 -1.383 -5.017 1.00 0.00 H new ATOM 0 HA HIS A 81 6.405 0.262 -7.064 1.00 0.00 H new ATOM 0 HB2 HIS A 81 5.845 0.054 -4.085 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.904 1.052 -5.176 1.00 0.00 H new ATOM 0 HD1 HIS A 81 3.131 -0.070 -6.607 1.00 0.00 H new ATOM 0 HD2 HIS A 81 5.573 -2.782 -4.553 1.00 0.00 H new ATOM 0 HE1 HIS A 81 2.080 -2.364 -6.920 1.00 0.00 H new ATOM 1303 N ARG A 82 8.356 1.655 -4.839 1.00 0.00 N ATOM 1304 CA ARG A 82 9.070 2.874 -4.495 1.00 0.00 C ATOM 1305 C ARG A 82 10.071 3.232 -5.574 1.00 0.00 C ATOM 1306 O ARG A 82 10.421 4.394 -5.755 1.00 0.00 O ATOM 1307 CB ARG A 82 9.758 2.724 -3.132 1.00 0.00 C ATOM 1308 CG ARG A 82 10.722 3.853 -2.786 1.00 0.00 C ATOM 1309 CD ARG A 82 11.784 3.395 -1.800 1.00 0.00 C ATOM 1310 NE ARG A 82 13.080 3.196 -2.444 1.00 0.00 N ATOM 1311 CZ ARG A 82 13.944 4.177 -2.694 1.00 0.00 C ATOM 1312 NH1 ARG A 82 13.655 5.429 -2.357 1.00 0.00 N ATOM 1313 NH2 ARG A 82 15.101 3.907 -3.282 1.00 0.00 N ATOM 0 H ARG A 82 8.656 0.828 -4.322 1.00 0.00 H new ATOM 0 HA ARG A 82 8.350 3.689 -4.425 1.00 0.00 H new ATOM 0 HB2 ARG A 82 8.994 2.665 -2.357 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.302 1.780 -3.115 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.201 4.216 -3.696 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.167 4.690 -2.362 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.884 4.134 -1.005 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.466 2.464 -1.331 1.00 0.00 H new ATOM 0 HE ARG A 82 13.338 2.248 -2.719 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.767 5.643 -1.904 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.321 6.176 -2.551 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.329 2.948 -3.543 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.763 4.659 -3.474 1.00 0.00 H new ATOM 1327 N ALA A 83 10.511 2.235 -6.302 1.00 0.00 N ATOM 1328 CA ALA A 83 11.443 2.461 -7.381 1.00 0.00 C ATOM 1329 C ALA A 83 10.669 2.950 -8.594 1.00 0.00 C ATOM 1330 O ALA A 83 10.775 4.105 -9.006 1.00 0.00 O ATOM 1331 CB ALA A 83 12.213 1.189 -7.706 1.00 0.00 C ATOM 0 H ALA A 83 10.240 1.261 -6.168 1.00 0.00 H new ATOM 0 HA ALA A 83 12.172 3.215 -7.084 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.909 1.383 -8.522 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.768 0.864 -6.826 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.515 0.407 -8.004 1.00 0.00 H new ATOM 1337 N GLN A 84 9.871 2.043 -9.137 1.00 0.00 N ATOM 1338 CA GLN A 84 9.024 2.324 -10.292 1.00 0.00 C ATOM 1339 C GLN A 84 7.588 2.627 -9.872 1.00 0.00 C ATOM 1340 O GLN A 84 7.144 2.212 -8.803 1.00 0.00 O ATOM 1341 CB GLN A 84 9.044 1.141 -11.262 1.00 0.00 C ATOM 1342 CG GLN A 84 10.423 0.835 -11.822 1.00 0.00 C ATOM 1343 CD GLN A 84 10.666 1.492 -13.167 1.00 0.00 C ATOM 1344 OE1 GLN A 84 9.941 1.247 -14.130 1.00 0.00 O ATOM 1345 NE2 GLN A 84 11.689 2.334 -13.238 1.00 0.00 N ATOM 0 H GLN A 84 9.791 1.087 -8.790 1.00 0.00 H new ATOM 0 HA GLN A 84 9.424 3.207 -10.790 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.665 0.256 -10.750 1.00 0.00 H new ATOM 0 HB3 GLN A 84 8.364 1.348 -12.088 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.181 1.172 -11.115 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.539 -0.244 -11.923 1.00 0.00 H new ATOM 0 HE21 GLN A 84 12.265 2.508 -12.414 1.00 0.00 H new ATOM 0 HE22 GLN A 84 11.900 2.807 -14.117 1.00 0.00 H new ATOM 1354 N SER A 85 6.849 3.312 -10.741 1.00 0.00 N ATOM 1355 CA SER A 85 5.445 3.619 -10.478 1.00 0.00 C ATOM 1356 C SER A 85 4.551 2.574 -11.150 1.00 0.00 C ATOM 1357 O SER A 85 3.440 2.877 -11.588 1.00 0.00 O ATOM 1358 CB SER A 85 5.092 5.019 -10.983 1.00 0.00 C ATOM 1359 OG SER A 85 6.020 5.459 -11.960 1.00 0.00 O ATOM 0 H SER A 85 7.198 3.665 -11.632 1.00 0.00 H new ATOM 0 HA SER A 85 5.279 3.594 -9.401 1.00 0.00 H new ATOM 0 HB2 SER A 85 4.088 5.013 -11.407 1.00 0.00 H new ATOM 0 HB3 SER A 85 5.081 5.718 -10.147 1.00 0.00 H new ATOM 0 HG SER A 85 5.771 6.355 -12.268 1.00 0.00 H new ATOM 1365 N LEU A 86 5.063 1.347 -11.246 1.00 0.00 N ATOM 1366 CA LEU A 86 4.351 0.240 -11.882 1.00 0.00 C ATOM 1367 C LEU A 86 2.871 0.197 -11.504 1.00 0.00 C ATOM 1368 O LEU A 86 2.510 -0.257 -10.417 1.00 0.00 O ATOM 1369 CB LEU A 86 5.014 -1.088 -11.515 1.00 0.00 C ATOM 1370 CG LEU A 86 5.109 -2.102 -12.656 1.00 0.00 C ATOM 1371 CD1 LEU A 86 3.724 -2.590 -13.052 1.00 0.00 C ATOM 1372 CD2 LEU A 86 5.824 -1.491 -13.852 1.00 0.00 C ATOM 0 H LEU A 86 5.983 1.093 -10.885 1.00 0.00 H new ATOM 0 HA LEU A 86 4.407 0.403 -12.958 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.019 -0.885 -11.145 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.458 -1.539 -10.694 1.00 0.00 H new ATOM 0 HG LEU A 86 5.688 -2.958 -12.310 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.811 -3.311 -13.865 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.247 -3.066 -12.195 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.120 -1.744 -13.380 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.883 -2.226 -14.655 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.272 -0.618 -14.199 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.830 -1.191 -13.560 1.00 0.00 H new ATOM 1384 N SER A 87 2.026 0.649 -12.429 1.00 0.00 N ATOM 1385 CA SER A 87 0.571 0.657 -12.244 1.00 0.00 C ATOM 1386 C SER A 87 0.164 0.914 -10.794 1.00 0.00 C ATOM 1387 O SER A 87 -0.835 0.372 -10.320 1.00 0.00 O ATOM 1388 CB SER A 87 -0.023 -0.672 -12.715 1.00 0.00 C ATOM 1389 OG SER A 87 -0.264 -0.656 -14.112 1.00 0.00 O ATOM 0 H SER A 87 2.328 1.021 -13.329 1.00 0.00 H new ATOM 0 HA SER A 87 0.178 1.478 -12.843 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.659 -1.486 -12.470 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.955 -0.866 -12.184 1.00 0.00 H new ATOM 0 HG SER A 87 -0.642 -1.517 -14.389 1.00 0.00 H new ATOM 1395 N HIS A 88 0.927 1.747 -10.096 1.00 0.00 N ATOM 1396 CA HIS A 88 0.617 2.069 -8.709 1.00 0.00 C ATOM 1397 C HIS A 88 0.496 3.576 -8.531 1.00 0.00 C ATOM 1398 O HIS A 88 1.404 4.327 -8.882 1.00 0.00 O ATOM 1399 CB HIS A 88 1.679 1.491 -7.768 1.00 0.00 C ATOM 1400 CG HIS A 88 1.442 1.813 -6.325 1.00 0.00 C ATOM 1401 ND1 HIS A 88 1.390 0.850 -5.338 1.00 0.00 N ATOM 1402 CD2 HIS A 88 1.251 2.998 -5.700 1.00 0.00 C ATOM 1403 CE1 HIS A 88 1.176 1.429 -4.172 1.00 0.00 C ATOM 1404 NE2 HIS A 88 1.089 2.731 -4.364 1.00 0.00 N ATOM 0 H HIS A 88 1.759 2.209 -10.464 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.340 1.615 -8.453 1.00 0.00 H new ATOM 0 HB2 HIS A 88 1.709 0.408 -7.890 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.657 1.872 -8.061 1.00 0.00 H new ATOM 0 HD1 HIS A 88 1.500 -0.153 -5.487 1.00 0.00 H new ATOM 0 HD2 HIS A 88 1.230 3.972 -6.166 1.00 0.00 H new ATOM 0 HE1 HIS A 88 1.087 0.923 -3.222 1.00 0.00 H new ATOM 1413 N GLY A 89 -0.646 4.007 -8.002 1.00 0.00 N ATOM 1414 CA GLY A 89 -0.897 5.421 -7.800 1.00 0.00 C ATOM 1415 C GLY A 89 0.216 6.134 -7.062 1.00 0.00 C ATOM 1416 O GLY A 89 0.159 6.302 -5.844 1.00 0.00 O ATOM 0 H GLY A 89 -1.407 3.395 -7.708 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.043 5.898 -8.769 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.826 5.541 -7.243 1.00 0.00 H new ATOM 1420 N LEU A 90 1.221 6.570 -7.809 1.00 0.00 N ATOM 1421 CA LEU A 90 2.355 7.293 -7.245 1.00 0.00 C ATOM 1422 C LEU A 90 3.346 6.355 -6.568 1.00 0.00 C ATOM 1423 O LEU A 90 2.973 5.322 -6.013 1.00 0.00 O ATOM 1424 CB LEU A 90 1.882 8.361 -6.254 1.00 0.00 C ATOM 1425 CG LEU A 90 2.579 9.717 -6.397 1.00 0.00 C ATOM 1426 CD1 LEU A 90 1.577 10.820 -6.709 1.00 0.00 C ATOM 1427 CD2 LEU A 90 3.379 10.050 -5.143 1.00 0.00 C ATOM 0 H LEU A 90 1.274 6.434 -8.818 1.00 0.00 H new ATOM 0 HA LEU A 90 2.868 7.781 -8.074 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.809 8.504 -6.379 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.038 7.992 -5.240 1.00 0.00 H new ATOM 0 HG LEU A 90 3.273 9.649 -7.235 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.101 11.771 -6.805 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.064 10.592 -7.644 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.847 10.888 -5.902 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.865 11.018 -5.268 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.709 10.089 -4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.135 9.282 -4.979 1.00 0.00 H new ATOM 1439 N ARG A 91 4.613 6.738 -6.628 1.00 0.00 N ATOM 1440 CA ARG A 91 5.695 5.963 -6.037 1.00 0.00 C ATOM 1441 C ARG A 91 5.570 5.897 -4.513 1.00 0.00 C ATOM 1442 O ARG A 91 5.225 6.884 -3.864 1.00 0.00 O ATOM 1443 CB ARG A 91 7.031 6.598 -6.432 1.00 0.00 C ATOM 1444 CG ARG A 91 8.236 6.009 -5.723 1.00 0.00 C ATOM 1445 CD ARG A 91 9.488 6.838 -5.974 1.00 0.00 C ATOM 1446 NE ARG A 91 9.247 8.270 -5.803 1.00 0.00 N ATOM 1447 CZ ARG A 91 8.885 9.090 -6.789 1.00 0.00 C ATOM 1448 NH1 ARG A 91 8.695 8.625 -8.017 1.00 0.00 N ATOM 1449 NH2 ARG A 91 8.702 10.380 -6.543 1.00 0.00 N ATOM 0 H ARG A 91 4.920 7.595 -7.088 1.00 0.00 H new ATOM 0 HA ARG A 91 5.641 4.941 -6.412 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.168 6.489 -7.508 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.988 7.667 -6.223 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.041 5.957 -4.652 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.399 4.988 -6.067 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.275 6.520 -5.290 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.849 6.650 -6.985 1.00 0.00 H new ATOM 0 HE ARG A 91 9.363 8.666 -4.870 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.826 7.632 -8.212 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.418 9.260 -8.766 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.838 10.744 -5.600 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.425 11.009 -7.297 1.00 0.00 H new ATOM 1463 N LEU A 92 5.866 4.726 -3.950 1.00 0.00 N ATOM 1464 CA LEU A 92 5.803 4.529 -2.503 1.00 0.00 C ATOM 1465 C LEU A 92 6.993 5.188 -1.827 1.00 0.00 C ATOM 1466 O LEU A 92 8.069 4.603 -1.714 1.00 0.00 O ATOM 1467 CB LEU A 92 5.737 3.046 -2.181 1.00 0.00 C ATOM 1468 CG LEU A 92 4.487 2.368 -2.730 1.00 0.00 C ATOM 1469 CD1 LEU A 92 4.419 0.912 -2.302 1.00 0.00 C ATOM 1470 CD2 LEU A 92 3.238 3.115 -2.288 1.00 0.00 C ATOM 0 H LEU A 92 6.152 3.899 -4.475 1.00 0.00 H new ATOM 0 HA LEU A 92 4.898 5.000 -2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.619 2.553 -2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.769 2.914 -1.100 1.00 0.00 H new ATOM 0 HG LEU A 92 4.541 2.394 -3.818 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.517 0.455 -2.709 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.295 0.382 -2.676 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.397 0.853 -1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.355 2.617 -2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.186 3.125 -1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 92 3.276 4.139 -2.659 1.00 0.00 H new ATOM 1482 N ALA A 93 6.784 6.426 -1.406 1.00 0.00 N ATOM 1483 CA ALA A 93 7.836 7.216 -0.763 1.00 0.00 C ATOM 1484 C ALA A 93 7.762 7.170 0.765 1.00 0.00 C ATOM 1485 O ALA A 93 8.599 6.543 1.414 1.00 0.00 O ATOM 1486 CB ALA A 93 7.774 8.656 -1.247 1.00 0.00 C ATOM 0 H ALA A 93 5.892 6.912 -1.497 1.00 0.00 H new ATOM 0 HA ALA A 93 8.789 6.770 -1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.560 9.236 -0.764 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.915 8.683 -2.327 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.802 9.082 -0.997 1.00 0.00 H new ATOM 1492 N ALA A 94 6.772 7.853 1.338 1.00 0.00 N ATOM 1493 CA ALA A 94 6.618 7.900 2.791 1.00 0.00 C ATOM 1494 C ALA A 94 5.527 6.946 3.278 1.00 0.00 C ATOM 1495 O ALA A 94 4.890 6.260 2.482 1.00 0.00 O ATOM 1496 CB ALA A 94 6.311 9.322 3.233 1.00 0.00 C ATOM 0 H ALA A 94 6.068 8.379 0.821 1.00 0.00 H new ATOM 0 HA ALA A 94 7.558 7.576 3.237 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.197 9.350 4.317 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.128 9.980 2.937 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.387 9.658 2.763 1.00 0.00 H new ATOM 1502 N PRO A 95 5.311 6.879 4.607 1.00 0.00 N ATOM 1503 CA PRO A 95 4.313 6.007 5.215 1.00 0.00 C ATOM 1504 C PRO A 95 2.991 6.720 5.482 1.00 0.00 C ATOM 1505 O PRO A 95 2.885 7.935 5.313 1.00 0.00 O ATOM 1506 CB PRO A 95 4.989 5.638 6.529 1.00 0.00 C ATOM 1507 CG PRO A 95 5.772 6.857 6.911 1.00 0.00 C ATOM 1508 CD PRO A 95 6.039 7.635 5.638 1.00 0.00 C ATOM 0 HA PRO A 95 4.045 5.163 4.579 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.255 5.383 7.294 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.639 4.771 6.410 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.214 7.465 7.624 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.708 6.577 7.394 1.00 0.00 H new ATOM 0 HD2 PRO A 95 5.677 8.661 5.712 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.105 7.688 5.417 1.00 0.00 H new ATOM 1516 N CYS A 96 1.986 5.958 5.907 1.00 0.00 N ATOM 1517 CA CYS A 96 0.675 6.520 6.208 1.00 0.00 C ATOM 1518 C CYS A 96 0.643 7.082 7.629 1.00 0.00 C ATOM 1519 O CYS A 96 1.395 6.640 8.497 1.00 0.00 O ATOM 1520 CB CYS A 96 -0.422 5.462 6.018 1.00 0.00 C ATOM 1521 SG CYS A 96 -0.883 4.556 7.519 1.00 0.00 S ATOM 0 H CYS A 96 2.056 4.951 6.050 1.00 0.00 H new ATOM 0 HA CYS A 96 0.485 7.338 5.514 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -1.311 5.950 5.619 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -0.088 4.745 5.268 1.00 0.00 H new ATOM 0 HG CYS A 96 0.155 4.443 8.294 1.00 0.00 H new ATOM 1527 N ARG A 97 -0.230 8.058 7.860 1.00 0.00 N ATOM 1528 CA ARG A 97 -0.353 8.675 9.176 1.00 0.00 C ATOM 1529 C ARG A 97 -1.810 8.713 9.629 1.00 0.00 C ATOM 1530 O ARG A 97 -2.709 9.010 8.841 1.00 0.00 O ATOM 1531 CB ARG A 97 0.229 10.092 9.154 1.00 0.00 C ATOM 1532 CG ARG A 97 1.513 10.231 9.955 1.00 0.00 C ATOM 1533 CD ARG A 97 1.967 11.679 10.031 1.00 0.00 C ATOM 1534 NE ARG A 97 1.294 12.410 11.103 1.00 0.00 N ATOM 1535 CZ ARG A 97 1.654 12.345 12.383 1.00 0.00 C ATOM 1536 NH1 ARG A 97 2.671 11.579 12.757 1.00 0.00 N ATOM 1537 NH2 ARG A 97 0.992 13.047 13.293 1.00 0.00 N ATOM 0 H ARG A 97 -0.861 8.438 7.155 1.00 0.00 H new ATOM 0 HA ARG A 97 0.210 8.070 9.887 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.421 10.382 8.121 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -0.513 10.787 9.547 1.00 0.00 H new ATOM 0 HG2 ARG A 97 1.359 9.843 10.962 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.296 9.626 9.497 1.00 0.00 H new ATOM 0 HD2 ARG A 97 3.045 11.713 10.191 1.00 0.00 H new ATOM 0 HD3 ARG A 97 1.770 12.171 9.078 1.00 0.00 H new ATOM 0 HE ARG A 97 0.503 13.004 10.856 1.00 0.00 H new ATOM 0 HH11 ARG A 97 3.182 11.035 12.062 1.00 0.00 H new ATOM 0 HH12 ARG A 97 2.941 11.534 13.740 1.00 0.00 H new ATOM 0 HH21 ARG A 97 0.208 13.636 13.012 1.00 0.00 H new ATOM 0 HH22 ARG A 97 1.267 12.998 14.274 1.00 0.00 H new ATOM 1551 N LYS A 98 -2.035 8.411 10.904 1.00 0.00 N ATOM 1552 CA LYS A 98 -3.382 8.408 11.464 1.00 0.00 C ATOM 1553 C LYS A 98 -3.672 9.718 12.192 1.00 0.00 C ATOM 1554 O LYS A 98 -2.763 10.501 12.468 1.00 0.00 O ATOM 1555 CB LYS A 98 -3.558 7.230 12.425 1.00 0.00 C ATOM 1556 CG LYS A 98 -5.011 6.884 12.703 1.00 0.00 C ATOM 1557 CD LYS A 98 -5.142 5.519 13.361 1.00 0.00 C ATOM 1558 CE LYS A 98 -5.441 5.642 14.847 1.00 0.00 C ATOM 1559 NZ LYS A 98 -5.150 4.380 15.580 1.00 0.00 N ATOM 0 H LYS A 98 -1.302 8.165 11.569 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.088 8.305 10.640 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.058 6.355 12.010 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.062 7.463 13.367 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.450 7.644 13.349 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.574 6.895 11.770 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.937 4.954 12.874 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.219 4.956 13.220 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.848 6.452 15.270 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.489 5.908 14.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.367 4.507 16.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.735 3.611 15.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.144 4.139 15.470 1.00 0.00 H new ATOM 1573 N HIS A 99 -4.945 9.948 12.500 1.00 0.00 N ATOM 1574 CA HIS A 99 -5.355 11.162 13.196 1.00 0.00 C ATOM 1575 C HIS A 99 -6.476 10.867 14.189 1.00 0.00 C ATOM 1576 O HIS A 99 -6.366 11.178 15.375 1.00 0.00 O ATOM 1577 CB HIS A 99 -5.814 12.220 12.192 1.00 0.00 C ATOM 1578 CG HIS A 99 -5.977 13.583 12.791 1.00 0.00 C ATOM 1579 ND1 HIS A 99 -5.884 13.825 14.145 1.00 0.00 N ATOM 1580 CD2 HIS A 99 -6.229 14.780 12.212 1.00 0.00 C ATOM 1581 CE1 HIS A 99 -6.071 15.114 14.374 1.00 0.00 C ATOM 1582 NE2 HIS A 99 -6.282 15.714 13.218 1.00 0.00 N ATOM 0 H HIS A 99 -5.709 9.310 12.279 1.00 0.00 H new ATOM 0 HA HIS A 99 -4.495 11.543 13.747 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -5.091 12.274 11.378 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.763 11.908 11.756 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -5.700 13.120 14.859 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -6.363 14.966 11.157 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -6.054 15.593 15.342 1.00 0.00 H new ATOM 1591 N GLU A 100 -7.554 10.265 13.696 1.00 0.00 N ATOM 1592 CA GLU A 100 -8.694 9.928 14.541 1.00 0.00 C ATOM 1593 C GLU A 100 -8.524 8.544 15.159 1.00 0.00 C ATOM 1594 O GLU A 100 -9.423 8.120 15.915 1.00 0.00 O ATOM 1595 CB GLU A 100 -9.990 9.980 13.729 1.00 0.00 C ATOM 1596 CG GLU A 100 -10.051 8.952 12.611 1.00 0.00 C ATOM 1597 CD GLU A 100 -10.902 9.409 11.444 1.00 0.00 C ATOM 1598 OE1 GLU A 100 -12.145 9.412 11.580 1.00 0.00 O ATOM 1599 OE2 GLU A 100 -10.328 9.767 10.394 1.00 0.00 O ATOM 1600 OXT GLU A 100 -7.493 7.896 14.881 1.00 0.00 O ATOM 0 H GLU A 100 -7.662 10.001 12.717 1.00 0.00 H new ATOM 0 HA GLU A 100 -8.747 10.661 15.346 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -10.835 9.825 14.400 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -10.101 10.976 13.301 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -9.041 8.743 12.259 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -10.451 8.017 13.004 1.00 0.00 H new TER 1607 GLU A 100