USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 569 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 14 TYR OH : rot 15:sc= -0.0122 USER MOD Set 1.2: A 50 GLN : amide:sc= -0.0246 X(o=-0.037,f=-0.012) USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.0424 (180deg=0) USER MOD Single : A 2 SER OG : rot -51:sc= 0.671 USER MOD Single : A 3 SER OG : rot -8:sc= 0.383 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -122:sc= -0.0616 (180deg=-1.09) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc=-0.00366 USER MOD Single : A 18 GLN : amide:sc= -7.37! C(o=-7.4!,f=-10!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.697 K(o=-0.7,f=-1.2) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -115:sc= 0.81 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 78:sc= 0.471 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.217 K(o=-0.22,f=-2.3!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00965 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 58 LYS NZ :NH3+ 167:sc= 0.837 (180deg=0.681) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -110:sc= -0.205 (180deg=-1.91!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 140:sc= 0.482 (180deg=0.0225) USER MOD Single : A 65 SER OG : rot 49:sc= 1.12 USER MOD Single : A 68 SER OG : rot 180:sc= -0.215 USER MOD Single : A 69 SER OG : rot 52:sc= 0.915 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.020 -1.177 -8.270 1.00 0.00 N ATOM 2 CA GLY A 1 12.955 -0.860 -9.202 1.00 0.00 C ATOM 3 C GLY A 1 13.310 -1.218 -10.632 1.00 0.00 C ATOM 4 O GLY A 1 14.124 -2.109 -10.872 1.00 0.00 O ATOM 0 H1 GLY A 1 13.625 -1.676 -7.448 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.722 -1.785 -8.739 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.478 -0.298 -7.955 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.051 -1.394 -8.911 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.729 0.205 -9.143 1.00 0.00 H new ATOM 8 N SER A 2 12.695 -0.523 -11.584 1.00 0.00 N ATOM 9 CA SER A 2 12.947 -0.776 -12.998 1.00 0.00 C ATOM 10 C SER A 2 13.875 0.283 -13.583 1.00 0.00 C ATOM 11 O SER A 2 13.660 0.768 -14.694 1.00 0.00 O ATOM 12 CB SER A 2 11.629 -0.802 -13.775 1.00 0.00 C ATOM 13 OG SER A 2 11.844 -1.150 -15.132 1.00 0.00 O ATOM 0 H SER A 2 12.019 0.219 -11.402 1.00 0.00 H new ATOM 0 HA SER A 2 13.433 -1.748 -13.087 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.947 -1.518 -13.316 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.150 0.176 -13.718 1.00 0.00 H new ATOM 0 HG SER A 2 12.548 -0.581 -15.508 1.00 0.00 H new ATOM 19 N SER A 3 14.909 0.639 -12.826 1.00 0.00 N ATOM 20 CA SER A 3 15.869 1.644 -13.267 1.00 0.00 C ATOM 21 C SER A 3 15.164 2.792 -13.983 1.00 0.00 C ATOM 22 O SER A 3 15.640 3.288 -15.003 1.00 0.00 O ATOM 23 CB SER A 3 16.910 1.013 -14.193 1.00 0.00 C ATOM 24 OG SER A 3 16.328 0.622 -15.425 1.00 0.00 O ATOM 0 H SER A 3 15.103 0.246 -11.905 1.00 0.00 H new ATOM 0 HA SER A 3 16.371 2.043 -12.385 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.716 1.724 -14.377 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.356 0.145 -13.706 1.00 0.00 H new ATOM 0 HG SER A 3 15.355 0.726 -15.375 1.00 0.00 H new ATOM 30 N GLY A 4 14.024 3.209 -13.439 1.00 0.00 N ATOM 31 CA GLY A 4 13.271 4.295 -14.038 1.00 0.00 C ATOM 32 C GLY A 4 12.492 5.095 -13.013 1.00 0.00 C ATOM 33 O GLY A 4 11.800 4.527 -12.167 1.00 0.00 O ATOM 0 H GLY A 4 13.609 2.814 -12.595 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.955 4.958 -14.568 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.581 3.890 -14.778 1.00 0.00 H new ATOM 37 N SER A 5 12.606 6.417 -13.085 1.00 0.00 N ATOM 38 CA SER A 5 11.911 7.296 -12.152 1.00 0.00 C ATOM 39 C SER A 5 11.424 8.560 -12.856 1.00 0.00 C ATOM 40 O SER A 5 11.970 8.961 -13.884 1.00 0.00 O ATOM 41 CB SER A 5 12.831 7.670 -10.988 1.00 0.00 C ATOM 42 OG SER A 5 12.106 8.301 -9.947 1.00 0.00 O ATOM 0 H SER A 5 13.173 6.903 -13.780 1.00 0.00 H new ATOM 0 HA SER A 5 11.045 6.760 -11.764 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.319 6.774 -10.604 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.618 8.335 -11.342 1.00 0.00 H new ATOM 0 HG SER A 5 12.716 8.528 -9.215 1.00 0.00 H new ATOM 48 N SER A 6 10.392 9.182 -12.295 1.00 0.00 N ATOM 49 CA SER A 6 9.828 10.398 -12.869 1.00 0.00 C ATOM 50 C SER A 6 10.119 11.604 -11.981 1.00 0.00 C ATOM 51 O SER A 6 10.806 12.539 -12.390 1.00 0.00 O ATOM 52 CB SER A 6 8.318 10.243 -13.061 1.00 0.00 C ATOM 53 OG SER A 6 7.786 11.322 -13.811 1.00 0.00 O ATOM 0 H SER A 6 9.929 8.864 -11.443 1.00 0.00 H new ATOM 0 HA SER A 6 10.295 10.563 -13.840 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.108 9.303 -13.571 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.828 10.195 -12.089 1.00 0.00 H new ATOM 0 HG SER A 6 6.820 11.199 -13.921 1.00 0.00 H new ATOM 59 N GLY A 7 9.589 11.575 -10.762 1.00 0.00 N ATOM 60 CA GLY A 7 9.802 12.670 -9.834 1.00 0.00 C ATOM 61 C GLY A 7 8.525 13.431 -9.533 1.00 0.00 C ATOM 62 O GLY A 7 7.516 12.837 -9.154 1.00 0.00 O ATOM 0 H GLY A 7 9.016 10.813 -10.401 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.216 12.279 -8.905 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.541 13.356 -10.249 1.00 0.00 H new ATOM 66 N ARG A 8 8.570 14.748 -9.701 1.00 0.00 N ATOM 67 CA ARG A 8 7.409 15.591 -9.441 1.00 0.00 C ATOM 68 C ARG A 8 6.131 14.926 -9.943 1.00 0.00 C ATOM 69 O ARG A 8 6.165 14.099 -10.855 1.00 0.00 O ATOM 70 CB ARG A 8 7.583 16.956 -10.110 1.00 0.00 C ATOM 71 CG ARG A 8 7.412 16.920 -11.620 1.00 0.00 C ATOM 72 CD ARG A 8 8.735 16.659 -12.324 1.00 0.00 C ATOM 73 NE ARG A 8 9.445 17.898 -12.631 1.00 0.00 N ATOM 74 CZ ARG A 8 10.530 17.953 -13.396 1.00 0.00 C ATOM 75 NH1 ARG A 8 11.026 16.845 -13.929 1.00 0.00 N ATOM 76 NH2 ARG A 8 11.120 19.118 -13.629 1.00 0.00 N ATOM 0 H ARG A 8 9.397 15.255 -10.016 1.00 0.00 H new ATOM 0 HA ARG A 8 7.327 15.730 -8.363 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.860 17.653 -9.687 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.574 17.343 -9.874 1.00 0.00 H new ATOM 0 HG2 ARG A 8 6.696 16.143 -11.888 1.00 0.00 H new ATOM 0 HG3 ARG A 8 6.997 17.868 -11.963 1.00 0.00 H new ATOM 0 HD2 ARG A 8 9.362 16.028 -11.694 1.00 0.00 H new ATOM 0 HD3 ARG A 8 8.552 16.108 -13.246 1.00 0.00 H new ATOM 0 HE ARG A 8 9.088 18.768 -12.237 1.00 0.00 H new ATOM 0 HH11 ARG A 8 10.575 15.948 -13.752 1.00 0.00 H new ATOM 0 HH12 ARG A 8 11.859 16.890 -14.516 1.00 0.00 H new ATOM 0 HH21 ARG A 8 10.741 19.972 -13.221 1.00 0.00 H new ATOM 0 HH22 ARG A 8 11.953 19.159 -14.216 1.00 0.00 H new ATOM 90 N LYS A 9 5.004 15.292 -9.342 1.00 0.00 N ATOM 91 CA LYS A 9 3.714 14.732 -9.727 1.00 0.00 C ATOM 92 C LYS A 9 2.572 15.480 -9.047 1.00 0.00 C ATOM 93 O LYS A 9 2.686 15.934 -7.908 1.00 0.00 O ATOM 94 CB LYS A 9 3.651 13.246 -9.366 1.00 0.00 C ATOM 95 CG LYS A 9 4.126 12.942 -7.956 1.00 0.00 C ATOM 96 CD LYS A 9 4.393 11.459 -7.764 1.00 0.00 C ATOM 97 CE LYS A 9 3.100 10.657 -7.752 1.00 0.00 C ATOM 98 NZ LYS A 9 2.700 10.229 -9.120 1.00 0.00 N ATOM 0 H LYS A 9 4.958 15.975 -8.586 1.00 0.00 H new ATOM 0 HA LYS A 9 3.606 14.842 -10.806 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.625 12.897 -9.478 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.258 12.683 -10.074 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.035 13.506 -7.748 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.375 13.273 -7.239 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.039 11.098 -8.564 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.928 11.303 -6.827 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.223 9.779 -7.118 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.304 11.258 -7.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.751 10.596 -9.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.380 10.601 -9.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.689 9.190 -9.169 1.00 0.00 H new ATOM 112 N PRO A 10 1.443 15.612 -9.759 1.00 0.00 N ATOM 113 CA PRO A 10 0.257 16.302 -9.243 1.00 0.00 C ATOM 114 C PRO A 10 -0.425 15.525 -8.122 1.00 0.00 C ATOM 115 O PRO A 10 -0.699 16.071 -7.054 1.00 0.00 O ATOM 116 CB PRO A 10 -0.660 16.393 -10.465 1.00 0.00 C ATOM 117 CG PRO A 10 -0.243 15.260 -11.338 1.00 0.00 C ATOM 118 CD PRO A 10 1.236 15.096 -11.123 1.00 0.00 C ATOM 0 HA PRO A 10 0.506 17.269 -8.807 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -1.709 16.308 -10.180 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.545 17.349 -10.976 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -0.779 14.348 -11.076 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.464 15.471 -12.384 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.541 14.053 -11.208 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.813 15.658 -11.857 1.00 0.00 H new ATOM 126 N ARG A 11 -0.694 14.248 -8.373 1.00 0.00 N ATOM 127 CA ARG A 11 -1.344 13.396 -7.384 1.00 0.00 C ATOM 128 C ARG A 11 -0.461 12.204 -7.028 1.00 0.00 C ATOM 129 O ARG A 11 0.219 11.642 -7.888 1.00 0.00 O ATOM 130 CB ARG A 11 -2.694 12.905 -7.912 1.00 0.00 C ATOM 131 CG ARG A 11 -3.803 13.937 -7.803 1.00 0.00 C ATOM 132 CD ARG A 11 -3.622 15.059 -8.814 1.00 0.00 C ATOM 133 NE ARG A 11 -4.845 15.836 -8.994 1.00 0.00 N ATOM 134 CZ ARG A 11 -5.105 16.557 -10.079 1.00 0.00 C ATOM 135 NH1 ARG A 11 -4.232 16.599 -11.075 1.00 0.00 N ATOM 136 NH2 ARG A 11 -6.241 17.238 -10.168 1.00 0.00 N ATOM 0 H ARG A 11 -0.472 13.781 -9.252 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.507 13.987 -6.483 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.582 12.614 -8.956 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.986 12.011 -7.361 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.767 13.454 -7.962 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.817 14.353 -6.795 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.819 15.718 -8.484 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -3.316 14.638 -9.772 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.538 15.825 -8.245 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.358 16.077 -11.010 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.434 17.153 -11.907 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.915 17.208 -9.403 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.440 17.791 -11.001 1.00 0.00 H new ATOM 150 N THR A 12 -0.474 11.823 -5.755 1.00 0.00 N ATOM 151 CA THR A 12 0.326 10.700 -5.284 1.00 0.00 C ATOM 152 C THR A 12 -0.080 9.406 -5.980 1.00 0.00 C ATOM 153 O THR A 12 -1.189 9.293 -6.503 1.00 0.00 O ATOM 154 CB THR A 12 0.193 10.514 -3.761 1.00 0.00 C ATOM 155 OG1 THR A 12 0.548 11.727 -3.086 1.00 0.00 O ATOM 156 CG2 THR A 12 1.080 9.379 -3.274 1.00 0.00 C ATOM 0 H THR A 12 -1.031 12.277 -5.031 1.00 0.00 H new ATOM 0 HA THR A 12 1.364 10.929 -5.525 1.00 0.00 H new ATOM 0 HB THR A 12 -0.844 10.264 -3.538 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.459 11.601 -2.118 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.969 9.267 -2.195 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.788 8.452 -3.767 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.120 9.603 -3.510 1.00 0.00 H new ATOM 164 N ILE A 13 0.824 8.432 -5.981 1.00 0.00 N ATOM 165 CA ILE A 13 0.558 7.145 -6.612 1.00 0.00 C ATOM 166 C ILE A 13 -0.793 6.588 -6.176 1.00 0.00 C ATOM 167 O ILE A 13 -1.357 5.714 -6.834 1.00 0.00 O ATOM 168 CB ILE A 13 1.656 6.117 -6.278 1.00 0.00 C ATOM 169 CG1 ILE A 13 3.026 6.643 -6.712 1.00 0.00 C ATOM 170 CG2 ILE A 13 1.356 4.785 -6.949 1.00 0.00 C ATOM 171 CD1 ILE A 13 4.184 5.878 -6.111 1.00 0.00 C ATOM 0 H ILE A 13 1.746 8.509 -5.552 1.00 0.00 H new ATOM 0 HA ILE A 13 0.547 7.317 -7.688 1.00 0.00 H new ATOM 0 HB ILE A 13 1.673 5.962 -5.199 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.096 6.598 -7.799 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.109 7.693 -6.431 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.141 4.069 -6.704 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.397 4.407 -6.595 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.316 4.923 -8.029 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.123 6.305 -6.462 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.139 5.944 -5.024 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.125 4.832 -6.414 1.00 0.00 H new ATOM 183 N TYR A 14 -1.307 7.102 -5.065 1.00 0.00 N ATOM 184 CA TYR A 14 -2.593 6.656 -4.540 1.00 0.00 C ATOM 185 C TYR A 14 -3.404 7.835 -4.011 1.00 0.00 C ATOM 186 O TYR A 14 -2.846 8.820 -3.528 1.00 0.00 O ATOM 187 CB TYR A 14 -2.384 5.626 -3.429 1.00 0.00 C ATOM 188 CG TYR A 14 -2.025 4.249 -3.939 1.00 0.00 C ATOM 189 CD1 TYR A 14 -0.733 3.956 -4.359 1.00 0.00 C ATOM 190 CD2 TYR A 14 -2.978 3.239 -4.001 1.00 0.00 C ATOM 191 CE1 TYR A 14 -0.401 2.700 -4.826 1.00 0.00 C ATOM 192 CE2 TYR A 14 -2.655 1.979 -4.466 1.00 0.00 C ATOM 193 CZ TYR A 14 -1.365 1.714 -4.878 1.00 0.00 C ATOM 194 OH TYR A 14 -1.038 0.461 -5.342 1.00 0.00 O ATOM 0 H TYR A 14 -0.854 7.828 -4.510 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.149 6.193 -5.355 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.593 5.976 -2.765 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.294 5.558 -2.833 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.025 4.725 -4.319 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.989 3.443 -3.680 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.608 2.490 -5.149 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.408 1.206 -4.507 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.063 0.365 -5.365 1.00 0.00 H new ATOM 204 N SER A 15 -4.725 7.725 -4.105 1.00 0.00 N ATOM 205 CA SER A 15 -5.615 8.782 -3.639 1.00 0.00 C ATOM 206 C SER A 15 -5.713 8.778 -2.117 1.00 0.00 C ATOM 207 O SER A 15 -5.388 7.785 -1.466 1.00 0.00 O ATOM 208 CB SER A 15 -7.007 8.613 -4.251 1.00 0.00 C ATOM 209 OG SER A 15 -7.817 9.748 -3.997 1.00 0.00 O ATOM 0 H SER A 15 -5.203 6.915 -4.500 1.00 0.00 H new ATOM 0 HA SER A 15 -5.200 9.738 -3.957 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.919 8.459 -5.326 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.483 7.723 -3.839 1.00 0.00 H new ATOM 0 HG SER A 15 -8.701 9.616 -4.400 1.00 0.00 H new ATOM 215 N SER A 16 -6.162 9.897 -1.556 1.00 0.00 N ATOM 216 CA SER A 16 -6.299 10.025 -0.110 1.00 0.00 C ATOM 217 C SER A 16 -7.265 8.979 0.439 1.00 0.00 C ATOM 218 O SER A 16 -6.997 8.345 1.460 1.00 0.00 O ATOM 219 CB SER A 16 -6.788 11.428 0.255 1.00 0.00 C ATOM 220 OG SER A 16 -8.026 11.715 -0.371 1.00 0.00 O ATOM 0 H SER A 16 -6.437 10.727 -2.081 1.00 0.00 H new ATOM 0 HA SER A 16 -5.319 9.861 0.339 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.896 11.509 1.337 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.045 12.166 -0.047 1.00 0.00 H new ATOM 0 HG SER A 16 -8.318 12.616 -0.121 1.00 0.00 H new ATOM 226 N PHE A 17 -8.390 8.804 -0.247 1.00 0.00 N ATOM 227 CA PHE A 17 -9.397 7.836 0.171 1.00 0.00 C ATOM 228 C PHE A 17 -8.818 6.425 0.196 1.00 0.00 C ATOM 229 O PHE A 17 -8.826 5.757 1.230 1.00 0.00 O ATOM 230 CB PHE A 17 -10.605 7.888 -0.766 1.00 0.00 C ATOM 231 CG PHE A 17 -11.587 6.774 -0.541 1.00 0.00 C ATOM 232 CD1 PHE A 17 -11.326 5.497 -1.012 1.00 0.00 C ATOM 233 CD2 PHE A 17 -12.771 7.003 0.140 1.00 0.00 C ATOM 234 CE1 PHE A 17 -12.227 4.469 -0.807 1.00 0.00 C ATOM 235 CE2 PHE A 17 -13.676 5.979 0.349 1.00 0.00 C ATOM 236 CZ PHE A 17 -13.404 4.711 -0.126 1.00 0.00 C ATOM 0 H PHE A 17 -8.627 9.320 -1.094 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.718 8.096 1.180 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.115 8.843 -0.636 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.256 7.851 -1.798 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.407 5.303 -1.546 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -12.990 7.993 0.512 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -12.011 3.478 -1.179 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -14.595 6.170 0.883 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.110 3.910 0.035 1.00 0.00 H new ATOM 246 N GLN A 18 -8.317 5.977 -0.951 1.00 0.00 N ATOM 247 CA GLN A 18 -7.735 4.645 -1.062 1.00 0.00 C ATOM 248 C GLN A 18 -6.627 4.447 -0.033 1.00 0.00 C ATOM 249 O GLN A 18 -6.507 3.380 0.568 1.00 0.00 O ATOM 250 CB GLN A 18 -7.185 4.421 -2.472 1.00 0.00 C ATOM 251 CG GLN A 18 -8.238 4.541 -3.562 1.00 0.00 C ATOM 252 CD GLN A 18 -7.788 3.934 -4.877 1.00 0.00 C ATOM 253 OE1 GLN A 18 -6.600 3.937 -5.200 1.00 0.00 O ATOM 254 NE2 GLN A 18 -8.737 3.410 -5.643 1.00 0.00 N ATOM 0 H GLN A 18 -8.303 6.517 -1.816 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.521 3.916 -0.867 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.392 5.144 -2.663 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.732 3.431 -2.523 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -9.153 4.049 -3.233 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.479 5.593 -3.715 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.709 3.430 -5.335 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -8.494 2.988 -6.539 1.00 0.00 H new ATOM 263 N LEU A 19 -5.818 5.483 0.163 1.00 0.00 N ATOM 264 CA LEU A 19 -4.718 5.424 1.120 1.00 0.00 C ATOM 265 C LEU A 19 -5.242 5.272 2.544 1.00 0.00 C ATOM 266 O LEU A 19 -4.929 4.301 3.231 1.00 0.00 O ATOM 267 CB LEU A 19 -3.855 6.682 1.013 1.00 0.00 C ATOM 268 CG LEU A 19 -2.692 6.616 0.023 1.00 0.00 C ATOM 269 CD1 LEU A 19 -1.787 7.828 0.181 1.00 0.00 C ATOM 270 CD2 LEU A 19 -1.902 5.330 0.213 1.00 0.00 C ATOM 0 H LEU A 19 -5.903 6.373 -0.328 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.109 4.552 0.882 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.498 7.516 0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.453 6.907 2.001 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.100 6.622 -0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.965 7.764 -0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.359 8.736 -0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.387 7.854 1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.078 5.300 -0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.505 5.293 1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.556 4.474 0.048 1.00 0.00 H new ATOM 282 N ALA A 20 -6.044 6.238 2.980 1.00 0.00 N ATOM 283 CA ALA A 20 -6.616 6.210 4.321 1.00 0.00 C ATOM 284 C ALA A 20 -6.918 4.781 4.758 1.00 0.00 C ATOM 285 O ALA A 20 -6.469 4.337 5.814 1.00 0.00 O ATOM 286 CB ALA A 20 -7.877 7.059 4.374 1.00 0.00 C ATOM 0 H ALA A 20 -6.312 7.050 2.424 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.883 6.626 5.012 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.294 7.029 5.381 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.634 8.089 4.112 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.609 6.668 3.667 1.00 0.00 H new ATOM 292 N ALA A 21 -7.684 4.066 3.940 1.00 0.00 N ATOM 293 CA ALA A 21 -8.046 2.687 4.243 1.00 0.00 C ATOM 294 C ALA A 21 -6.832 1.769 4.151 1.00 0.00 C ATOM 295 O ALA A 21 -6.621 0.913 5.012 1.00 0.00 O ATOM 296 CB ALA A 21 -9.143 2.211 3.303 1.00 0.00 C ATOM 0 H ALA A 21 -8.066 4.419 3.063 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.419 2.651 5.266 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.404 1.180 3.541 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.023 2.844 3.420 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.790 2.268 2.273 1.00 0.00 H new ATOM 302 N LEU A 22 -6.037 1.950 3.102 1.00 0.00 N ATOM 303 CA LEU A 22 -4.844 1.136 2.897 1.00 0.00 C ATOM 304 C LEU A 22 -3.982 1.107 4.155 1.00 0.00 C ATOM 305 O LEU A 22 -3.758 0.048 4.740 1.00 0.00 O ATOM 306 CB LEU A 22 -4.030 1.677 1.720 1.00 0.00 C ATOM 307 CG LEU A 22 -4.450 1.188 0.333 1.00 0.00 C ATOM 308 CD1 LEU A 22 -3.684 1.933 -0.749 1.00 0.00 C ATOM 309 CD2 LEU A 22 -4.230 -0.313 0.208 1.00 0.00 C ATOM 0 H LEU A 22 -6.197 2.653 2.380 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.163 0.118 2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.089 2.765 1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.984 1.413 1.875 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.513 1.391 0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.995 1.572 -1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.891 3.000 -0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.615 1.761 -0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.534 -0.644 -0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.175 -0.540 0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.824 -0.832 0.961 1.00 0.00 H new ATOM 321 N GLN A 23 -3.504 2.277 4.566 1.00 0.00 N ATOM 322 CA GLN A 23 -2.668 2.385 5.756 1.00 0.00 C ATOM 323 C GLN A 23 -3.372 1.790 6.971 1.00 0.00 C ATOM 324 O GLN A 23 -2.763 1.069 7.762 1.00 0.00 O ATOM 325 CB GLN A 23 -2.312 3.848 6.024 1.00 0.00 C ATOM 326 CG GLN A 23 -1.149 4.354 5.187 1.00 0.00 C ATOM 327 CD GLN A 23 -0.489 5.581 5.785 1.00 0.00 C ATOM 328 OE1 GLN A 23 -1.131 6.613 5.979 1.00 0.00 O ATOM 329 NE2 GLN A 23 0.801 5.474 6.082 1.00 0.00 N ATOM 0 H GLN A 23 -3.681 3.163 4.093 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.752 1.822 5.578 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.187 4.468 5.828 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.068 3.966 7.080 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.408 3.561 5.085 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.504 4.590 4.184 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.294 4.599 5.904 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.298 6.267 6.488 1.00 0.00 H new ATOM 338 N ARG A 24 -4.657 2.097 7.114 1.00 0.00 N ATOM 339 CA ARG A 24 -5.443 1.594 8.234 1.00 0.00 C ATOM 340 C ARG A 24 -5.322 0.077 8.345 1.00 0.00 C ATOM 341 O ARG A 24 -5.340 -0.478 9.444 1.00 0.00 O ATOM 342 CB ARG A 24 -6.912 1.988 8.072 1.00 0.00 C ATOM 343 CG ARG A 24 -7.650 2.146 9.391 1.00 0.00 C ATOM 344 CD ARG A 24 -9.135 1.860 9.237 1.00 0.00 C ATOM 345 NE ARG A 24 -9.780 2.794 8.318 1.00 0.00 N ATOM 346 CZ ARG A 24 -10.093 4.044 8.641 1.00 0.00 C ATOM 347 NH1 ARG A 24 -9.821 4.508 9.853 1.00 0.00 N ATOM 348 NH2 ARG A 24 -10.679 4.834 7.749 1.00 0.00 N ATOM 0 H ARG A 24 -5.176 2.692 6.468 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.053 2.041 9.148 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.969 2.926 7.519 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.418 1.232 7.471 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.223 1.469 10.131 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.511 3.159 9.768 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.272 0.841 8.874 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.618 1.919 10.212 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.002 2.469 7.377 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.370 3.905 10.541 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.063 5.468 10.098 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.889 4.481 6.815 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.919 5.794 7.998 1.00 0.00 H new ATOM 362 N ARG A 25 -5.199 -0.587 7.201 1.00 0.00 N ATOM 363 CA ARG A 25 -5.076 -2.040 7.170 1.00 0.00 C ATOM 364 C ARG A 25 -3.616 -2.465 7.292 1.00 0.00 C ATOM 365 O ARG A 25 -3.305 -3.485 7.907 1.00 0.00 O ATOM 366 CB ARG A 25 -5.673 -2.596 5.875 1.00 0.00 C ATOM 367 CG ARG A 25 -6.020 -4.074 5.950 1.00 0.00 C ATOM 368 CD ARG A 25 -7.252 -4.314 6.808 1.00 0.00 C ATOM 369 NE ARG A 25 -8.484 -3.952 6.111 1.00 0.00 N ATOM 370 CZ ARG A 25 -9.029 -4.690 5.151 1.00 0.00 C ATOM 371 NH1 ARG A 25 -8.456 -5.825 4.777 1.00 0.00 N ATOM 372 NH2 ARG A 25 -10.151 -4.293 4.565 1.00 0.00 N ATOM 0 H ARG A 25 -5.182 -0.143 6.283 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.627 -2.444 8.020 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.573 -2.032 5.628 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.965 -2.438 5.061 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.194 -4.459 4.945 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.175 -4.627 6.361 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.294 -5.364 7.096 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.172 -3.734 7.727 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.951 -3.085 6.376 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.594 -6.134 5.227 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.877 -6.390 4.039 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.595 -3.421 4.852 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.569 -4.860 3.828 1.00 0.00 H new ATOM 386 N PHE A 26 -2.724 -1.676 6.703 1.00 0.00 N ATOM 387 CA PHE A 26 -1.296 -1.971 6.745 1.00 0.00 C ATOM 388 C PHE A 26 -0.770 -1.910 8.175 1.00 0.00 C ATOM 389 O PHE A 26 0.038 -2.743 8.586 1.00 0.00 O ATOM 390 CB PHE A 26 -0.524 -0.988 5.863 1.00 0.00 C ATOM 391 CG PHE A 26 0.951 -1.262 5.808 1.00 0.00 C ATOM 392 CD1 PHE A 26 1.426 -2.493 5.385 1.00 0.00 C ATOM 393 CD2 PHE A 26 1.864 -0.289 6.181 1.00 0.00 C ATOM 394 CE1 PHE A 26 2.783 -2.749 5.333 1.00 0.00 C ATOM 395 CE2 PHE A 26 3.223 -0.538 6.132 1.00 0.00 C ATOM 396 CZ PHE A 26 3.683 -1.770 5.708 1.00 0.00 C ATOM 0 H PHE A 26 -2.964 -0.827 6.191 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.148 -2.982 6.365 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.930 -1.024 4.852 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.684 0.024 6.235 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.727 -3.262 5.092 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.510 0.675 6.514 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.139 -3.713 5.000 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.924 0.229 6.425 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.744 -1.967 5.670 1.00 0.00 H new ATOM 406 N GLN A 27 -1.234 -0.918 8.928 1.00 0.00 N ATOM 407 CA GLN A 27 -0.809 -0.747 10.313 1.00 0.00 C ATOM 408 C GLN A 27 -1.237 -1.937 11.164 1.00 0.00 C ATOM 409 O GLN A 27 -0.531 -2.339 12.089 1.00 0.00 O ATOM 410 CB GLN A 27 -1.390 0.545 10.891 1.00 0.00 C ATOM 411 CG GLN A 27 -2.900 0.510 11.059 1.00 0.00 C ATOM 412 CD GLN A 27 -3.479 1.864 11.419 1.00 0.00 C ATOM 413 OE1 GLN A 27 -2.752 2.852 11.534 1.00 0.00 O ATOM 414 NE2 GLN A 27 -4.793 1.919 11.597 1.00 0.00 N ATOM 0 H GLN A 27 -1.904 -0.221 8.603 1.00 0.00 H new ATOM 0 HA GLN A 27 0.279 -0.686 10.328 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.929 0.740 11.859 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.124 1.377 10.239 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.357 0.158 10.134 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.159 -0.210 11.836 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.358 1.076 11.492 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.238 2.804 11.839 1.00 0.00 H new ATOM 423 N LYS A 28 -2.399 -2.498 10.847 1.00 0.00 N ATOM 424 CA LYS A 28 -2.922 -3.644 11.582 1.00 0.00 C ATOM 425 C LYS A 28 -2.087 -4.891 11.312 1.00 0.00 C ATOM 426 O LYS A 28 -1.710 -5.611 12.237 1.00 0.00 O ATOM 427 CB LYS A 28 -4.381 -3.900 11.195 1.00 0.00 C ATOM 428 CG LYS A 28 -5.134 -4.756 12.198 1.00 0.00 C ATOM 429 CD LYS A 28 -6.638 -4.635 12.016 1.00 0.00 C ATOM 430 CE LYS A 28 -7.375 -5.784 12.688 1.00 0.00 C ATOM 431 NZ LYS A 28 -8.763 -5.404 13.070 1.00 0.00 N ATOM 0 H LYS A 28 -2.997 -2.177 10.085 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.869 -3.417 12.647 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.893 -2.944 11.089 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.410 -4.387 10.220 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.836 -5.798 12.085 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.864 -4.455 13.210 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.981 -3.688 12.433 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.877 -4.620 10.953 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.405 -6.640 12.014 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.827 -6.097 13.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.232 -6.213 13.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.734 -4.603 13.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.294 -5.129 12.219 1.00 0.00 H new ATOM 445 N THR A 29 -1.799 -5.141 10.038 1.00 0.00 N ATOM 446 CA THR A 29 -1.007 -6.301 9.647 1.00 0.00 C ATOM 447 C THR A 29 -0.217 -6.023 8.373 1.00 0.00 C ATOM 448 O THR A 29 -0.758 -5.502 7.399 1.00 0.00 O ATOM 449 CB THR A 29 -1.897 -7.539 9.427 1.00 0.00 C ATOM 450 OG1 THR A 29 -1.081 -8.693 9.195 1.00 0.00 O ATOM 451 CG2 THR A 29 -2.834 -7.329 8.247 1.00 0.00 C ATOM 0 H THR A 29 -2.102 -4.556 9.260 1.00 0.00 H new ATOM 0 HA THR A 29 -0.314 -6.501 10.464 1.00 0.00 H new ATOM 0 HB THR A 29 -2.497 -7.692 10.324 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.226 -9.018 8.282 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.452 -8.216 8.111 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.473 -6.467 8.439 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.249 -7.153 7.344 1.00 0.00 H new ATOM 459 N GLN A 30 1.064 -6.376 8.389 1.00 0.00 N ATOM 460 CA GLN A 30 1.928 -6.164 7.233 1.00 0.00 C ATOM 461 C GLN A 30 1.533 -7.084 6.082 1.00 0.00 C ATOM 462 O GLN A 30 1.664 -6.722 4.913 1.00 0.00 O ATOM 463 CB GLN A 30 3.390 -6.402 7.613 1.00 0.00 C ATOM 464 CG GLN A 30 4.013 -5.251 8.387 1.00 0.00 C ATOM 465 CD GLN A 30 3.837 -5.393 9.886 1.00 0.00 C ATOM 466 OE1 GLN A 30 2.791 -5.047 10.435 1.00 0.00 O ATOM 467 NE2 GLN A 30 4.863 -5.904 10.557 1.00 0.00 N ATOM 0 H GLN A 30 1.526 -6.809 9.188 1.00 0.00 H new ATOM 0 HA GLN A 30 1.808 -5.131 6.906 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.458 -7.310 8.212 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.969 -6.574 6.706 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.076 -5.195 8.154 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.565 -4.313 8.060 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.711 -6.177 10.061 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.803 -6.023 11.568 1.00 0.00 H new ATOM 476 N TYR A 31 1.049 -8.273 6.422 1.00 0.00 N ATOM 477 CA TYR A 31 0.638 -9.246 5.417 1.00 0.00 C ATOM 478 C TYR A 31 -0.870 -9.471 5.461 1.00 0.00 C ATOM 479 O TYR A 31 -1.442 -9.717 6.524 1.00 0.00 O ATOM 480 CB TYR A 31 1.369 -10.572 5.631 1.00 0.00 C ATOM 481 CG TYR A 31 2.720 -10.636 4.955 1.00 0.00 C ATOM 482 CD1 TYR A 31 3.666 -9.638 5.154 1.00 0.00 C ATOM 483 CD2 TYR A 31 3.051 -11.694 4.118 1.00 0.00 C ATOM 484 CE1 TYR A 31 4.901 -9.691 4.538 1.00 0.00 C ATOM 485 CE2 TYR A 31 4.284 -11.756 3.498 1.00 0.00 C ATOM 486 CZ TYR A 31 5.206 -10.753 3.711 1.00 0.00 C ATOM 487 OH TYR A 31 6.435 -10.810 3.097 1.00 0.00 O ATOM 0 H TYR A 31 0.932 -8.586 7.386 1.00 0.00 H new ATOM 0 HA TYR A 31 0.899 -8.849 4.436 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.499 -10.737 6.701 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.746 -11.385 5.257 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.431 -8.806 5.802 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.332 -12.482 3.949 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.624 -8.906 4.703 1.00 0.00 H new ATOM 0 HE2 TYR A 31 4.525 -12.586 2.850 1.00 0.00 H new ATOM 0 HH TYR A 31 6.490 -11.621 2.550 1.00 0.00 H new ATOM 497 N LEU A 32 -1.509 -9.384 4.300 1.00 0.00 N ATOM 498 CA LEU A 32 -2.952 -9.579 4.203 1.00 0.00 C ATOM 499 C LEU A 32 -3.278 -10.908 3.531 1.00 0.00 C ATOM 500 O LEU A 32 -2.723 -11.239 2.484 1.00 0.00 O ATOM 501 CB LEU A 32 -3.590 -8.429 3.422 1.00 0.00 C ATOM 502 CG LEU A 32 -3.930 -7.176 4.230 1.00 0.00 C ATOM 503 CD1 LEU A 32 -4.369 -6.049 3.308 1.00 0.00 C ATOM 504 CD2 LEU A 32 -5.012 -7.480 5.256 1.00 0.00 C ATOM 0 H LEU A 32 -1.051 -9.180 3.412 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.361 -9.595 5.213 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.914 -8.145 2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.505 -8.796 2.956 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.034 -6.855 4.761 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.607 -5.166 3.901 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.564 -5.813 2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.252 -6.359 2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.241 -6.577 5.822 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.911 -7.826 4.745 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.660 -8.255 5.937 1.00 0.00 H new ATOM 516 N ALA A 33 -4.185 -11.666 4.139 1.00 0.00 N ATOM 517 CA ALA A 33 -4.589 -12.957 3.597 1.00 0.00 C ATOM 518 C ALA A 33 -5.066 -12.823 2.155 1.00 0.00 C ATOM 519 O ALA A 33 -5.134 -11.718 1.614 1.00 0.00 O ATOM 520 CB ALA A 33 -5.680 -13.574 4.460 1.00 0.00 C ATOM 0 H ALA A 33 -4.654 -11.408 5.007 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.719 -13.614 3.605 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.972 -14.538 4.043 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.306 -13.715 5.474 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.545 -12.911 4.482 1.00 0.00 H new ATOM 526 N LEU A 34 -5.394 -13.952 1.537 1.00 0.00 N ATOM 527 CA LEU A 34 -5.864 -13.960 0.156 1.00 0.00 C ATOM 528 C LEU A 34 -7.076 -13.051 -0.011 1.00 0.00 C ATOM 529 O LEU A 34 -7.060 -12.088 -0.779 1.00 0.00 O ATOM 530 CB LEU A 34 -6.217 -15.385 -0.274 1.00 0.00 C ATOM 531 CG LEU A 34 -7.372 -15.519 -1.268 1.00 0.00 C ATOM 532 CD1 LEU A 34 -6.999 -14.901 -2.606 1.00 0.00 C ATOM 533 CD2 LEU A 34 -7.758 -16.980 -1.442 1.00 0.00 C ATOM 0 H LEU A 34 -5.343 -14.874 1.970 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.061 -13.584 -0.478 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.330 -15.841 -0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.462 -15.962 0.618 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.233 -14.981 -0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.833 -15.006 -3.300 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.772 -13.844 -2.468 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.124 -15.410 -3.010 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.581 -17.057 -2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.902 -17.540 -1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.068 -17.391 -0.481 1.00 0.00 H new ATOM 545 N PRO A 35 -8.155 -13.360 0.724 1.00 0.00 N ATOM 546 CA PRO A 35 -9.395 -12.581 0.676 1.00 0.00 C ATOM 547 C PRO A 35 -9.239 -11.202 1.308 1.00 0.00 C ATOM 548 O PRO A 35 -9.919 -10.252 0.922 1.00 0.00 O ATOM 549 CB PRO A 35 -10.379 -13.430 1.484 1.00 0.00 C ATOM 550 CG PRO A 35 -9.523 -14.227 2.407 1.00 0.00 C ATOM 551 CD PRO A 35 -8.245 -14.494 1.659 1.00 0.00 C ATOM 0 HA PRO A 35 -9.716 -12.390 -0.348 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -11.081 -12.805 2.036 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -10.970 -14.076 0.835 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -9.328 -13.680 3.329 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.013 -15.159 2.687 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.387 -14.531 2.330 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.279 -15.448 1.132 1.00 0.00 H new ATOM 559 N GLU A 36 -8.338 -11.100 2.280 1.00 0.00 N ATOM 560 CA GLU A 36 -8.093 -9.836 2.964 1.00 0.00 C ATOM 561 C GLU A 36 -7.483 -8.811 2.012 1.00 0.00 C ATOM 562 O GLU A 36 -7.867 -7.641 2.014 1.00 0.00 O ATOM 563 CB GLU A 36 -7.167 -10.050 4.163 1.00 0.00 C ATOM 564 CG GLU A 36 -7.900 -10.428 5.439 1.00 0.00 C ATOM 565 CD GLU A 36 -9.017 -11.425 5.196 1.00 0.00 C ATOM 566 OE1 GLU A 36 -9.991 -11.068 4.501 1.00 0.00 O ATOM 567 OE2 GLU A 36 -8.916 -12.563 5.702 1.00 0.00 O ATOM 0 H GLU A 36 -7.766 -11.877 2.611 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.050 -9.453 3.318 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.449 -10.833 3.921 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.597 -9.138 4.338 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.190 -10.850 6.150 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.313 -9.529 5.896 1.00 0.00 H new ATOM 574 N ARG A 37 -6.529 -9.259 1.202 1.00 0.00 N ATOM 575 CA ARG A 37 -5.864 -8.382 0.246 1.00 0.00 C ATOM 576 C ARG A 37 -6.830 -7.939 -0.849 1.00 0.00 C ATOM 577 O ARG A 37 -6.796 -6.791 -1.293 1.00 0.00 O ATOM 578 CB ARG A 37 -4.660 -9.091 -0.377 1.00 0.00 C ATOM 579 CG ARG A 37 -3.782 -8.177 -1.216 1.00 0.00 C ATOM 580 CD ARG A 37 -2.425 -8.805 -1.490 1.00 0.00 C ATOM 581 NE ARG A 37 -1.829 -9.370 -0.282 1.00 0.00 N ATOM 582 CZ ARG A 37 -0.916 -10.334 -0.294 1.00 0.00 C ATOM 583 NH1 ARG A 37 -0.494 -10.837 -1.446 1.00 0.00 N ATOM 584 NH2 ARG A 37 -0.421 -10.795 0.847 1.00 0.00 N ATOM 0 H ARG A 37 -6.199 -10.224 1.189 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.519 -7.498 0.782 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.057 -9.531 0.417 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.015 -9.912 -1.000 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.280 -7.959 -2.161 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.647 -7.227 -0.700 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.533 -9.588 -2.241 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.755 -8.053 -1.907 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.131 -9.004 0.621 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.871 -10.483 -2.325 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.207 -11.577 -1.453 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.742 -10.409 1.735 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.280 -11.536 0.836 1.00 0.00 H new ATOM 598 N ALA A 38 -7.689 -8.856 -1.280 1.00 0.00 N ATOM 599 CA ALA A 38 -8.665 -8.560 -2.321 1.00 0.00 C ATOM 600 C ALA A 38 -9.678 -7.524 -1.846 1.00 0.00 C ATOM 601 O ALA A 38 -10.066 -6.631 -2.599 1.00 0.00 O ATOM 602 CB ALA A 38 -9.375 -9.833 -2.757 1.00 0.00 C ATOM 0 H ALA A 38 -7.729 -9.811 -0.924 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.132 -8.143 -3.176 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.101 -9.597 -3.535 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.644 -10.542 -3.146 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.889 -10.274 -1.903 1.00 0.00 H new ATOM 608 N GLU A 39 -10.102 -7.649 -0.592 1.00 0.00 N ATOM 609 CA GLU A 39 -11.071 -6.723 -0.018 1.00 0.00 C ATOM 610 C GLU A 39 -10.683 -5.277 -0.312 1.00 0.00 C ATOM 611 O GLU A 39 -11.533 -4.449 -0.644 1.00 0.00 O ATOM 612 CB GLU A 39 -11.180 -6.936 1.494 1.00 0.00 C ATOM 613 CG GLU A 39 -11.981 -8.168 1.879 1.00 0.00 C ATOM 614 CD GLU A 39 -13.476 -7.913 1.883 1.00 0.00 C ATOM 615 OE1 GLU A 39 -14.104 -8.049 0.812 1.00 0.00 O ATOM 616 OE2 GLU A 39 -14.018 -7.578 2.957 1.00 0.00 O ATOM 0 H GLU A 39 -9.790 -8.382 0.045 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.040 -6.921 -0.477 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.178 -7.019 1.914 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.642 -6.057 1.944 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.756 -8.976 1.183 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.671 -8.504 2.868 1.00 0.00 H new ATOM 623 N LEU A 40 -9.394 -4.980 -0.188 1.00 0.00 N ATOM 624 CA LEU A 40 -8.891 -3.634 -0.440 1.00 0.00 C ATOM 625 C LEU A 40 -9.071 -3.251 -1.906 1.00 0.00 C ATOM 626 O LEU A 40 -9.462 -2.128 -2.221 1.00 0.00 O ATOM 627 CB LEU A 40 -7.414 -3.539 -0.054 1.00 0.00 C ATOM 628 CG LEU A 40 -7.039 -4.118 1.311 1.00 0.00 C ATOM 629 CD1 LEU A 40 -5.598 -3.777 1.657 1.00 0.00 C ATOM 630 CD2 LEU A 40 -7.984 -3.603 2.386 1.00 0.00 C ATOM 0 H LEU A 40 -8.678 -5.653 0.086 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.465 -2.938 0.172 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.826 -4.049 -0.817 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.120 -2.489 -0.074 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.133 -5.203 1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.349 -4.197 2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.934 -4.195 0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.478 -2.694 1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.702 -4.025 3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.923 -2.516 2.434 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.005 -3.898 2.145 1.00 0.00 H new ATOM 642 N ALA A 41 -8.785 -4.194 -2.798 1.00 0.00 N ATOM 643 CA ALA A 41 -8.919 -3.957 -4.230 1.00 0.00 C ATOM 644 C ALA A 41 -10.386 -3.866 -4.636 1.00 0.00 C ATOM 645 O ALA A 41 -10.722 -3.250 -5.647 1.00 0.00 O ATOM 646 CB ALA A 41 -8.219 -5.057 -5.014 1.00 0.00 C ATOM 0 H ALA A 41 -8.459 -5.129 -2.554 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.445 -3.003 -4.462 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.327 -4.868 -6.082 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.161 -5.073 -4.753 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.667 -6.020 -4.769 1.00 0.00 H new ATOM 652 N ALA A 42 -11.254 -4.484 -3.842 1.00 0.00 N ATOM 653 CA ALA A 42 -12.685 -4.471 -4.119 1.00 0.00 C ATOM 654 C ALA A 42 -13.340 -3.209 -3.567 1.00 0.00 C ATOM 655 O ALA A 42 -14.167 -2.585 -4.232 1.00 0.00 O ATOM 656 CB ALA A 42 -13.347 -5.710 -3.535 1.00 0.00 C ATOM 0 H ALA A 42 -10.991 -5.000 -3.002 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.820 -4.476 -5.201 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.415 -5.687 -3.749 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.907 -6.602 -3.981 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.194 -5.730 -2.456 1.00 0.00 H new ATOM 662 N SER A 43 -12.965 -2.839 -2.347 1.00 0.00 N ATOM 663 CA SER A 43 -13.520 -1.654 -1.703 1.00 0.00 C ATOM 664 C SER A 43 -12.908 -0.383 -2.286 1.00 0.00 C ATOM 665 O SER A 43 -13.611 0.459 -2.845 1.00 0.00 O ATOM 666 CB SER A 43 -13.276 -1.705 -0.194 1.00 0.00 C ATOM 667 OG SER A 43 -13.801 -2.896 0.367 1.00 0.00 O ATOM 0 H SER A 43 -12.279 -3.343 -1.784 1.00 0.00 H new ATOM 0 HA SER A 43 -14.594 -1.639 -1.889 1.00 0.00 H new ATOM 0 HB2 SER A 43 -12.206 -1.645 0.007 1.00 0.00 H new ATOM 0 HB3 SER A 43 -13.739 -0.840 0.282 1.00 0.00 H new ATOM 0 HG SER A 43 -13.192 -3.641 0.182 1.00 0.00 H new ATOM 673 N LEU A 44 -11.593 -0.251 -2.149 1.00 0.00 N ATOM 674 CA LEU A 44 -10.884 0.917 -2.661 1.00 0.00 C ATOM 675 C LEU A 44 -10.962 0.977 -4.183 1.00 0.00 C ATOM 676 O LEU A 44 -10.583 1.975 -4.795 1.00 0.00 O ATOM 677 CB LEU A 44 -9.421 0.886 -2.216 1.00 0.00 C ATOM 678 CG LEU A 44 -9.169 0.463 -0.768 1.00 0.00 C ATOM 679 CD1 LEU A 44 -7.701 0.633 -0.410 1.00 0.00 C ATOM 680 CD2 LEU A 44 -10.048 1.265 0.182 1.00 0.00 C ATOM 0 H LEU A 44 -10.996 -0.938 -1.688 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.362 1.808 -2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.877 0.207 -2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.996 1.879 -2.363 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.426 -0.591 -0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.541 0.327 0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.092 0.015 -1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.417 1.679 -0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.856 0.951 1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.822 2.326 0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.097 1.093 -0.060 1.00 0.00 H new ATOM 692 N GLY A 45 -11.460 -0.097 -4.789 1.00 0.00 N ATOM 693 CA GLY A 45 -11.581 -0.145 -6.234 1.00 0.00 C ATOM 694 C GLY A 45 -10.248 -0.361 -6.921 1.00 0.00 C ATOM 695 O GLY A 45 -10.092 -0.049 -8.102 1.00 0.00 O ATOM 0 H GLY A 45 -11.782 -0.935 -4.304 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.264 -0.948 -6.512 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -12.023 0.786 -6.590 1.00 0.00 H new ATOM 699 N LEU A 46 -9.283 -0.895 -6.181 1.00 0.00 N ATOM 700 CA LEU A 46 -7.954 -1.152 -6.726 1.00 0.00 C ATOM 701 C LEU A 46 -7.802 -2.616 -7.125 1.00 0.00 C ATOM 702 O LEU A 46 -8.730 -3.412 -6.974 1.00 0.00 O ATOM 703 CB LEU A 46 -6.881 -0.776 -5.702 1.00 0.00 C ATOM 704 CG LEU A 46 -6.905 0.669 -5.204 1.00 0.00 C ATOM 705 CD1 LEU A 46 -6.388 0.750 -3.776 1.00 0.00 C ATOM 706 CD2 LEU A 46 -6.084 1.564 -6.121 1.00 0.00 C ATOM 0 H LEU A 46 -9.395 -1.159 -5.202 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.829 -0.538 -7.618 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.981 -1.437 -4.841 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.903 -0.971 -6.142 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.937 1.019 -5.216 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.412 1.786 -3.438 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.017 0.142 -3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.363 0.380 -3.739 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.113 2.589 -5.751 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.052 1.215 -6.142 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.499 1.531 -7.129 1.00 0.00 H new ATOM 718 N THR A 47 -6.625 -2.967 -7.633 1.00 0.00 N ATOM 719 CA THR A 47 -6.351 -4.335 -8.053 1.00 0.00 C ATOM 720 C THR A 47 -5.282 -4.976 -7.175 1.00 0.00 C ATOM 721 O THR A 47 -4.428 -4.286 -6.620 1.00 0.00 O ATOM 722 CB THR A 47 -5.893 -4.391 -9.523 1.00 0.00 C ATOM 723 OG1 THR A 47 -5.876 -5.748 -9.979 1.00 0.00 O ATOM 724 CG2 THR A 47 -4.510 -3.779 -9.682 1.00 0.00 C ATOM 0 H THR A 47 -5.846 -2.322 -7.763 1.00 0.00 H new ATOM 0 HA THR A 47 -7.284 -4.890 -7.949 1.00 0.00 H new ATOM 0 HB THR A 47 -6.598 -3.816 -10.123 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.586 -5.775 -10.915 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.208 -3.830 -10.728 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.534 -2.737 -9.361 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.796 -4.330 -9.071 1.00 0.00 H new ATOM 732 N GLN A 48 -5.336 -6.298 -7.055 1.00 0.00 N ATOM 733 CA GLN A 48 -4.371 -7.032 -6.244 1.00 0.00 C ATOM 734 C GLN A 48 -2.945 -6.612 -6.583 1.00 0.00 C ATOM 735 O GLN A 48 -2.121 -6.397 -5.693 1.00 0.00 O ATOM 736 CB GLN A 48 -4.536 -8.538 -6.454 1.00 0.00 C ATOM 737 CG GLN A 48 -5.833 -9.093 -5.888 1.00 0.00 C ATOM 738 CD GLN A 48 -6.325 -10.312 -6.644 1.00 0.00 C ATOM 739 OE1 GLN A 48 -5.901 -10.571 -7.770 1.00 0.00 O ATOM 740 NE2 GLN A 48 -7.226 -11.067 -6.026 1.00 0.00 N ATOM 0 H GLN A 48 -6.037 -6.883 -7.509 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.561 -6.796 -5.197 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.493 -8.754 -7.521 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.696 -9.055 -5.990 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.685 -9.355 -4.840 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.599 -8.318 -5.918 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.549 -10.814 -5.092 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.595 -11.900 -6.485 1.00 0.00 H new ATOM 749 N THR A 49 -2.658 -6.497 -7.876 1.00 0.00 N ATOM 750 CA THR A 49 -1.331 -6.104 -8.332 1.00 0.00 C ATOM 751 C THR A 49 -0.944 -4.735 -7.785 1.00 0.00 C ATOM 752 O THR A 49 0.238 -4.405 -7.695 1.00 0.00 O ATOM 753 CB THR A 49 -1.254 -6.070 -9.871 1.00 0.00 C ATOM 754 OG1 THR A 49 -1.940 -7.200 -10.421 1.00 0.00 O ATOM 755 CG2 THR A 49 0.193 -6.072 -10.340 1.00 0.00 C ATOM 0 H THR A 49 -3.327 -6.671 -8.626 1.00 0.00 H new ATOM 0 HA THR A 49 -0.633 -6.852 -7.956 1.00 0.00 H new ATOM 0 HB THR A 49 -1.731 -5.153 -10.216 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.888 -7.170 -11.399 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.222 -6.048 -11.429 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.705 -5.195 -9.944 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.690 -6.974 -9.984 1.00 0.00 H new ATOM 763 N GLN A 50 -1.947 -3.943 -7.420 1.00 0.00 N ATOM 764 CA GLN A 50 -1.710 -2.610 -6.881 1.00 0.00 C ATOM 765 C GLN A 50 -1.557 -2.654 -5.364 1.00 0.00 C ATOM 766 O GLN A 50 -0.548 -2.208 -4.818 1.00 0.00 O ATOM 767 CB GLN A 50 -2.855 -1.671 -7.263 1.00 0.00 C ATOM 768 CG GLN A 50 -2.737 -1.107 -8.670 1.00 0.00 C ATOM 769 CD GLN A 50 -3.386 0.256 -8.809 1.00 0.00 C ATOM 770 OE1 GLN A 50 -4.401 0.406 -9.490 1.00 0.00 O ATOM 771 NE2 GLN A 50 -2.803 1.259 -8.163 1.00 0.00 N ATOM 0 H GLN A 50 -2.931 -4.202 -7.488 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.782 -2.233 -7.310 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.799 -2.208 -7.174 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -2.890 -0.846 -6.552 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.684 -1.033 -8.940 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.199 -1.799 -9.374 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.963 1.090 -7.610 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.195 2.199 -8.220 1.00 0.00 H new ATOM 780 N VAL A 51 -2.566 -3.196 -4.689 1.00 0.00 N ATOM 781 CA VAL A 51 -2.544 -3.300 -3.235 1.00 0.00 C ATOM 782 C VAL A 51 -1.400 -4.191 -2.765 1.00 0.00 C ATOM 783 O VAL A 51 -0.933 -4.076 -1.631 1.00 0.00 O ATOM 784 CB VAL A 51 -3.872 -3.859 -2.692 1.00 0.00 C ATOM 785 CG1 VAL A 51 -3.686 -4.409 -1.286 1.00 0.00 C ATOM 786 CG2 VAL A 51 -4.951 -2.786 -2.714 1.00 0.00 C ATOM 0 H VAL A 51 -3.409 -3.570 -5.126 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.398 -2.292 -2.848 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.191 -4.677 -3.337 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.635 -4.799 -0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.947 -5.210 -1.303 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.342 -3.612 -0.626 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.883 -3.199 -2.327 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.641 -1.945 -2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.103 -2.444 -3.738 1.00 0.00 H new ATOM 796 N LYS A 52 -0.951 -5.081 -3.644 1.00 0.00 N ATOM 797 CA LYS A 52 0.140 -5.992 -3.321 1.00 0.00 C ATOM 798 C LYS A 52 1.473 -5.252 -3.281 1.00 0.00 C ATOM 799 O LYS A 52 2.226 -5.362 -2.312 1.00 0.00 O ATOM 800 CB LYS A 52 0.205 -7.126 -4.347 1.00 0.00 C ATOM 801 CG LYS A 52 -0.804 -8.232 -4.096 1.00 0.00 C ATOM 802 CD LYS A 52 -0.952 -9.138 -5.307 1.00 0.00 C ATOM 803 CE LYS A 52 0.364 -9.811 -5.664 1.00 0.00 C ATOM 804 NZ LYS A 52 0.234 -10.684 -6.863 1.00 0.00 N ATOM 0 H LYS A 52 -1.326 -5.190 -4.586 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.052 -6.413 -2.334 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.040 -6.714 -5.342 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.208 -7.553 -4.341 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.491 -8.823 -3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.771 -7.794 -3.848 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.707 -9.898 -5.104 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.306 -8.555 -6.157 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.122 -9.050 -5.849 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.709 -10.405 -4.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.153 -11.124 -7.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.471 -11.426 -6.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.071 -10.113 -7.677 1.00 0.00 H new ATOM 818 N ILE A 53 1.759 -4.498 -4.337 1.00 0.00 N ATOM 819 CA ILE A 53 3.000 -3.738 -4.419 1.00 0.00 C ATOM 820 C ILE A 53 3.049 -2.649 -3.353 1.00 0.00 C ATOM 821 O ILE A 53 4.084 -2.430 -2.723 1.00 0.00 O ATOM 822 CB ILE A 53 3.172 -3.091 -5.806 1.00 0.00 C ATOM 823 CG1 ILE A 53 3.121 -4.158 -6.901 1.00 0.00 C ATOM 824 CG2 ILE A 53 4.482 -2.320 -5.871 1.00 0.00 C ATOM 825 CD1 ILE A 53 2.943 -3.590 -8.291 1.00 0.00 C ATOM 0 H ILE A 53 1.148 -4.397 -5.148 1.00 0.00 H new ATOM 0 HA ILE A 53 3.814 -4.443 -4.252 1.00 0.00 H new ATOM 0 HB ILE A 53 2.352 -2.391 -5.969 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.041 -4.742 -6.871 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.301 -4.844 -6.690 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.590 -1.868 -6.857 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.482 -1.538 -5.112 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.314 -3.001 -5.691 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.916 -4.404 -9.016 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.009 -3.030 -8.338 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.776 -2.926 -8.522 1.00 0.00 H new ATOM 837 N TRP A 54 1.925 -1.971 -3.154 1.00 0.00 N ATOM 838 CA TRP A 54 1.839 -0.906 -2.162 1.00 0.00 C ATOM 839 C TRP A 54 2.304 -1.396 -0.795 1.00 0.00 C ATOM 840 O TRP A 54 2.996 -0.681 -0.070 1.00 0.00 O ATOM 841 CB TRP A 54 0.406 -0.381 -2.069 1.00 0.00 C ATOM 842 CG TRP A 54 0.255 0.770 -1.121 1.00 0.00 C ATOM 843 CD1 TRP A 54 0.112 2.088 -1.448 1.00 0.00 C ATOM 844 CD2 TRP A 54 0.234 0.705 0.310 1.00 0.00 C ATOM 845 NE1 TRP A 54 0.004 2.846 -0.307 1.00 0.00 N ATOM 846 CE2 TRP A 54 0.075 2.021 0.784 1.00 0.00 C ATOM 847 CE3 TRP A 54 0.332 -0.337 1.235 1.00 0.00 C ATOM 848 CZ2 TRP A 54 0.013 2.320 2.143 1.00 0.00 C ATOM 849 CZ3 TRP A 54 0.271 -0.039 2.583 1.00 0.00 C ATOM 850 CH2 TRP A 54 0.112 1.281 3.027 1.00 0.00 C ATOM 0 H TRP A 54 1.060 -2.140 -3.667 1.00 0.00 H new ATOM 0 HA TRP A 54 2.495 -0.095 -2.479 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.075 -0.072 -3.060 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.250 -1.192 -1.752 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.087 2.477 -2.455 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.111 3.859 -0.277 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.453 -1.357 0.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.109 3.337 2.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.347 -0.837 3.307 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.067 1.481 4.087 1.00 0.00 H new ATOM 861 N PHE A 55 1.921 -2.621 -0.449 1.00 0.00 N ATOM 862 CA PHE A 55 2.298 -3.206 0.832 1.00 0.00 C ATOM 863 C PHE A 55 3.768 -3.618 0.830 1.00 0.00 C ATOM 864 O PHE A 55 4.456 -3.501 1.843 1.00 0.00 O ATOM 865 CB PHE A 55 1.418 -4.419 1.142 1.00 0.00 C ATOM 866 CG PHE A 55 0.167 -4.074 1.897 1.00 0.00 C ATOM 867 CD1 PHE A 55 -0.836 -3.328 1.299 1.00 0.00 C ATOM 868 CD2 PHE A 55 -0.008 -4.496 3.205 1.00 0.00 C ATOM 869 CE1 PHE A 55 -1.988 -3.008 1.992 1.00 0.00 C ATOM 870 CE2 PHE A 55 -1.158 -4.180 3.903 1.00 0.00 C ATOM 871 CZ PHE A 55 -2.150 -3.436 3.295 1.00 0.00 C ATOM 0 H PHE A 55 1.350 -3.227 -1.038 1.00 0.00 H new ATOM 0 HA PHE A 55 2.151 -2.452 1.605 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.145 -4.908 0.207 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.996 -5.139 1.722 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.716 -2.993 0.279 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.764 -5.079 3.685 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.761 -2.424 1.515 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.281 -4.514 4.923 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.051 -3.189 3.837 1.00 0.00 H new ATOM 881 N GLN A 56 4.240 -4.100 -0.315 1.00 0.00 N ATOM 882 CA GLN A 56 5.627 -4.530 -0.449 1.00 0.00 C ATOM 883 C GLN A 56 6.579 -3.345 -0.321 1.00 0.00 C ATOM 884 O GLN A 56 7.586 -3.419 0.381 1.00 0.00 O ATOM 885 CB GLN A 56 5.839 -5.228 -1.793 1.00 0.00 C ATOM 886 CG GLN A 56 7.049 -6.147 -1.817 1.00 0.00 C ATOM 887 CD GLN A 56 7.573 -6.386 -3.219 1.00 0.00 C ATOM 888 OE1 GLN A 56 8.382 -5.613 -3.733 1.00 0.00 O ATOM 889 NE2 GLN A 56 7.113 -7.462 -3.848 1.00 0.00 N ATOM 0 H GLN A 56 3.683 -4.203 -1.163 1.00 0.00 H new ATOM 0 HA GLN A 56 5.842 -5.234 0.355 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.948 -5.807 -2.037 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.951 -4.473 -2.571 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.841 -5.714 -1.206 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.784 -7.103 -1.365 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.443 -8.076 -3.385 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.430 -7.674 -4.794 1.00 0.00 H new ATOM 898 N ASN A 57 6.252 -2.254 -1.005 1.00 0.00 N ATOM 899 CA ASN A 57 7.079 -1.053 -0.969 1.00 0.00 C ATOM 900 C ASN A 57 7.190 -0.512 0.453 1.00 0.00 C ATOM 901 O ASN A 57 8.280 -0.448 1.022 1.00 0.00 O ATOM 902 CB ASN A 57 6.497 0.021 -1.891 1.00 0.00 C ATOM 903 CG ASN A 57 6.664 -0.325 -3.358 1.00 0.00 C ATOM 904 OD1 ASN A 57 7.248 -1.352 -3.703 1.00 0.00 O ATOM 905 ND2 ASN A 57 6.150 0.535 -4.230 1.00 0.00 N ATOM 0 H ASN A 57 5.421 -2.176 -1.591 1.00 0.00 H new ATOM 0 HA ASN A 57 8.077 -1.319 -1.317 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.438 0.151 -1.669 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.985 0.974 -1.687 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.231 0.356 -5.231 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.674 1.374 -3.899 1.00 0.00 H new ATOM 912 N LYS A 58 6.054 -0.124 1.023 1.00 0.00 N ATOM 913 CA LYS A 58 6.022 0.410 2.380 1.00 0.00 C ATOM 914 C LYS A 58 6.993 -0.342 3.284 1.00 0.00 C ATOM 915 O LYS A 58 7.907 0.250 3.858 1.00 0.00 O ATOM 916 CB LYS A 58 4.605 0.322 2.951 1.00 0.00 C ATOM 917 CG LYS A 58 4.283 1.420 3.951 1.00 0.00 C ATOM 918 CD LYS A 58 4.039 2.750 3.259 1.00 0.00 C ATOM 919 CE LYS A 58 2.692 2.773 2.552 1.00 0.00 C ATOM 920 NZ LYS A 58 2.699 3.684 1.375 1.00 0.00 N ATOM 0 H LYS A 58 5.143 -0.169 0.566 1.00 0.00 H new ATOM 0 HA LYS A 58 6.327 1.456 2.339 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.888 0.367 2.131 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.476 -0.647 3.434 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.401 1.141 4.527 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.106 1.522 4.658 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.080 3.555 3.992 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.833 2.936 2.536 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.434 1.764 2.229 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.920 3.091 3.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.852 3.510 0.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.699 4.672 1.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.550 3.507 0.804 1.00 0.00 H new ATOM 934 N ARG A 59 6.790 -1.650 3.406 1.00 0.00 N ATOM 935 CA ARG A 59 7.648 -2.482 4.240 1.00 0.00 C ATOM 936 C ARG A 59 9.112 -2.085 4.080 1.00 0.00 C ATOM 937 O ARG A 59 9.871 -2.071 5.049 1.00 0.00 O ATOM 938 CB ARG A 59 7.467 -3.958 3.881 1.00 0.00 C ATOM 939 CG ARG A 59 6.392 -4.656 4.698 1.00 0.00 C ATOM 940 CD ARG A 59 6.974 -5.311 5.941 1.00 0.00 C ATOM 941 NE ARG A 59 7.545 -4.330 6.859 1.00 0.00 N ATOM 942 CZ ARG A 59 8.497 -4.615 7.741 1.00 0.00 C ATOM 943 NH1 ARG A 59 8.982 -5.846 7.822 1.00 0.00 N ATOM 944 NH2 ARG A 59 8.966 -3.668 8.543 1.00 0.00 N ATOM 0 H ARG A 59 6.038 -2.156 2.938 1.00 0.00 H new ATOM 0 HA ARG A 59 7.360 -2.330 5.280 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.217 -4.038 2.823 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.415 -4.477 4.024 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.629 -3.934 4.989 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.900 -5.411 4.084 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.194 -5.875 6.452 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.744 -6.025 5.648 1.00 0.00 H new ATOM 0 HE ARG A 59 7.194 -3.373 6.821 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.624 -6.577 7.207 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.713 -6.063 8.500 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.596 -2.719 8.483 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.697 -3.888 9.220 1.00 0.00 H new ATOM 958 N SER A 60 9.502 -1.763 2.851 1.00 0.00 N ATOM 959 CA SER A 60 10.876 -1.369 2.563 1.00 0.00 C ATOM 960 C SER A 60 11.210 -0.037 3.227 1.00 0.00 C ATOM 961 O SER A 60 12.313 0.156 3.739 1.00 0.00 O ATOM 962 CB SER A 60 11.095 -1.268 1.052 1.00 0.00 C ATOM 963 OG SER A 60 12.453 -1.491 0.717 1.00 0.00 O ATOM 0 H SER A 60 8.886 -1.767 2.038 1.00 0.00 H new ATOM 0 HA SER A 60 11.539 -2.133 2.968 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.467 -1.998 0.541 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.788 -0.282 0.702 1.00 0.00 H new ATOM 0 HG SER A 60 12.566 -1.423 -0.254 1.00 0.00 H new ATOM 969 N LYS A 61 10.249 0.880 3.216 1.00 0.00 N ATOM 970 CA LYS A 61 10.438 2.195 3.817 1.00 0.00 C ATOM 971 C LYS A 61 10.390 2.109 5.339 1.00 0.00 C ATOM 972 O LYS A 61 10.623 3.098 6.034 1.00 0.00 O ATOM 973 CB LYS A 61 9.366 3.166 3.317 1.00 0.00 C ATOM 974 CG LYS A 61 9.264 3.232 1.803 1.00 0.00 C ATOM 975 CD LYS A 61 10.468 3.929 1.193 1.00 0.00 C ATOM 976 CE LYS A 61 11.579 2.941 0.870 1.00 0.00 C ATOM 977 NZ LYS A 61 12.925 3.570 0.966 1.00 0.00 N ATOM 0 H LYS A 61 9.330 0.737 2.797 1.00 0.00 H new ATOM 0 HA LYS A 61 11.420 2.564 3.522 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.400 2.869 3.725 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.582 4.163 3.702 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.183 2.223 1.399 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.354 3.762 1.521 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.167 4.449 0.284 1.00 0.00 H new ATOM 0 HD3 LYS A 61 10.841 4.685 1.884 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.524 2.095 1.555 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.433 2.546 -0.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 13.334 3.663 0.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 12.838 4.512 1.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 13.545 2.976 1.552 1.00 0.00 H new ATOM 991 N ILE A 62 10.088 0.920 5.851 1.00 0.00 N ATOM 992 CA ILE A 62 10.013 0.706 7.291 1.00 0.00 C ATOM 993 C ILE A 62 11.362 0.272 7.853 1.00 0.00 C ATOM 994 O ILE A 62 11.869 -0.801 7.524 1.00 0.00 O ATOM 995 CB ILE A 62 8.955 -0.356 7.647 1.00 0.00 C ATOM 996 CG1 ILE A 62 7.617 -0.015 6.989 1.00 0.00 C ATOM 997 CG2 ILE A 62 8.798 -0.461 9.157 1.00 0.00 C ATOM 998 CD1 ILE A 62 6.430 -0.674 7.657 1.00 0.00 C ATOM 0 H ILE A 62 9.891 0.091 5.290 1.00 0.00 H new ATOM 0 HA ILE A 62 9.726 1.658 7.738 1.00 0.00 H new ATOM 0 HB ILE A 62 9.289 -1.322 7.268 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.479 1.066 7.005 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.649 -0.317 5.942 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.047 -1.215 9.393 1.00 0.00 H new ATOM 0 HG22 ILE A 62 9.751 -0.746 9.603 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.483 0.502 9.558 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.515 -0.388 7.138 1.00 0.00 H new ATOM 0 HD12 ILE A 62 6.546 -1.757 7.618 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.373 -0.352 8.697 1.00 0.00 H new ATOM 1010 N LYS A 63 11.940 1.112 8.705 1.00 0.00 N ATOM 1011 CA LYS A 63 13.229 0.815 9.317 1.00 0.00 C ATOM 1012 C LYS A 63 14.362 0.988 8.310 1.00 0.00 C ATOM 1013 O LYS A 63 15.263 0.153 8.224 1.00 0.00 O ATOM 1014 CB LYS A 63 13.238 -0.612 9.871 1.00 0.00 C ATOM 1015 CG LYS A 63 14.250 -0.826 10.983 1.00 0.00 C ATOM 1016 CD LYS A 63 13.741 -0.291 12.311 1.00 0.00 C ATOM 1017 CE LYS A 63 12.795 -1.274 12.983 1.00 0.00 C ATOM 1018 NZ LYS A 63 12.767 -1.096 14.461 1.00 0.00 N ATOM 0 H LYS A 63 11.535 2.005 8.987 1.00 0.00 H new ATOM 0 HA LYS A 63 13.384 1.517 10.136 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.243 -0.854 10.245 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.451 -1.307 9.059 1.00 0.00 H new ATOM 0 HG2 LYS A 63 14.468 -1.890 11.078 1.00 0.00 H new ATOM 0 HG3 LYS A 63 15.186 -0.330 10.725 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.585 -0.088 12.970 1.00 0.00 H new ATOM 0 HD3 LYS A 63 13.228 0.657 12.150 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.790 -1.142 12.582 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.102 -2.293 12.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.111 -1.785 14.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.721 -1.247 14.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.450 -0.132 14.689 1.00 0.00 H new ATOM 1032 N LYS A 64 14.312 2.077 7.552 1.00 0.00 N ATOM 1033 CA LYS A 64 15.335 2.362 6.552 1.00 0.00 C ATOM 1034 C LYS A 64 16.500 3.129 7.170 1.00 0.00 C ATOM 1035 O LYS A 64 16.335 3.829 8.169 1.00 0.00 O ATOM 1036 CB LYS A 64 14.737 3.166 5.395 1.00 0.00 C ATOM 1037 CG LYS A 64 15.684 3.337 4.220 1.00 0.00 C ATOM 1038 CD LYS A 64 15.232 4.456 3.297 1.00 0.00 C ATOM 1039 CE LYS A 64 15.511 5.823 3.902 1.00 0.00 C ATOM 1040 NZ LYS A 64 16.917 6.255 3.671 1.00 0.00 N ATOM 0 H LYS A 64 13.573 2.778 7.611 1.00 0.00 H new ATOM 0 HA LYS A 64 15.710 1.412 6.170 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.829 2.671 5.050 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.444 4.150 5.761 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.687 3.551 4.588 1.00 0.00 H new ATOM 0 HG3 LYS A 64 15.743 2.404 3.660 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.745 4.369 2.339 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.165 4.356 3.097 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.830 6.557 3.471 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.311 5.794 4.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.936 7.270 3.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 17.479 6.080 4.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 17.320 5.717 2.877 1.00 0.00 H new ATOM 1054 N SER A 65 17.677 2.994 6.568 1.00 0.00 N ATOM 1055 CA SER A 65 18.870 3.673 7.060 1.00 0.00 C ATOM 1056 C SER A 65 18.659 5.183 7.097 1.00 0.00 C ATOM 1057 O SER A 65 18.753 5.860 6.074 1.00 0.00 O ATOM 1058 CB SER A 65 20.075 3.336 6.178 1.00 0.00 C ATOM 1059 OG SER A 65 19.927 3.888 4.881 1.00 0.00 O ATOM 0 H SER A 65 17.830 2.420 5.739 1.00 0.00 H new ATOM 0 HA SER A 65 19.063 3.326 8.075 1.00 0.00 H new ATOM 0 HB2 SER A 65 20.985 3.720 6.638 1.00 0.00 H new ATOM 0 HB3 SER A 65 20.186 2.254 6.106 1.00 0.00 H new ATOM 0 HG SER A 65 19.672 4.832 4.954 1.00 0.00 H new ATOM 1065 N GLY A 66 18.374 5.705 8.286 1.00 0.00 N ATOM 1066 CA GLY A 66 18.154 7.132 8.436 1.00 0.00 C ATOM 1067 C GLY A 66 16.842 7.447 9.129 1.00 0.00 C ATOM 1068 O GLY A 66 15.831 7.732 8.488 1.00 0.00 O ATOM 0 H GLY A 66 18.292 5.166 9.148 1.00 0.00 H new ATOM 0 HA2 GLY A 66 18.976 7.565 9.006 1.00 0.00 H new ATOM 0 HA3 GLY A 66 18.165 7.603 7.453 1.00 0.00 H new ATOM 1072 N PRO A 67 16.849 7.394 10.469 1.00 0.00 N ATOM 1073 CA PRO A 67 15.658 7.672 11.278 1.00 0.00 C ATOM 1074 C PRO A 67 15.262 9.144 11.239 1.00 0.00 C ATOM 1075 O PRO A 67 14.083 9.476 11.110 1.00 0.00 O ATOM 1076 CB PRO A 67 16.088 7.270 12.691 1.00 0.00 C ATOM 1077 CG PRO A 67 17.571 7.410 12.690 1.00 0.00 C ATOM 1078 CD PRO A 67 18.019 7.061 11.298 1.00 0.00 C ATOM 0 HA PRO A 67 14.783 7.133 10.915 1.00 0.00 H new ATOM 0 HB2 PRO A 67 15.630 7.914 13.442 1.00 0.00 H new ATOM 0 HB3 PRO A 67 15.787 6.248 12.921 1.00 0.00 H new ATOM 0 HG2 PRO A 67 17.867 8.426 12.952 1.00 0.00 H new ATOM 0 HG3 PRO A 67 18.026 6.746 13.425 1.00 0.00 H new ATOM 0 HD2 PRO A 67 18.897 7.635 11.003 1.00 0.00 H new ATOM 0 HD3 PRO A 67 18.284 6.007 11.214 1.00 0.00 H new ATOM 1086 N SER A 68 16.253 10.022 11.352 1.00 0.00 N ATOM 1087 CA SER A 68 16.007 11.459 11.334 1.00 0.00 C ATOM 1088 C SER A 68 14.710 11.798 12.064 1.00 0.00 C ATOM 1089 O SER A 68 13.923 12.624 11.602 1.00 0.00 O ATOM 1090 CB SER A 68 15.942 11.969 9.893 1.00 0.00 C ATOM 1091 OG SER A 68 15.054 11.185 9.114 1.00 0.00 O ATOM 0 H SER A 68 17.234 9.763 11.457 1.00 0.00 H new ATOM 0 HA SER A 68 16.833 11.950 11.849 1.00 0.00 H new ATOM 0 HB2 SER A 68 15.615 13.009 9.886 1.00 0.00 H new ATOM 0 HB3 SER A 68 16.938 11.945 9.450 1.00 0.00 H new ATOM 0 HG SER A 68 15.029 11.532 8.198 1.00 0.00 H new ATOM 1097 N SER A 69 14.496 11.153 13.206 1.00 0.00 N ATOM 1098 CA SER A 69 13.293 11.381 13.999 1.00 0.00 C ATOM 1099 C SER A 69 13.393 12.694 14.769 1.00 0.00 C ATOM 1100 O SER A 69 13.762 12.712 15.943 1.00 0.00 O ATOM 1101 CB SER A 69 13.070 10.221 14.971 1.00 0.00 C ATOM 1102 OG SER A 69 14.152 10.101 15.878 1.00 0.00 O ATOM 0 H SER A 69 15.140 10.468 13.603 1.00 0.00 H new ATOM 0 HA SER A 69 12.444 11.442 13.318 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.144 10.378 15.524 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.954 9.292 14.413 1.00 0.00 H new ATOM 0 HG SER A 69 14.321 10.968 16.302 1.00 0.00 H new ATOM 1108 N GLY A 70 13.060 13.793 14.099 1.00 0.00 N ATOM 1109 CA GLY A 70 13.118 15.096 14.736 1.00 0.00 C ATOM 1110 C GLY A 70 12.219 15.188 15.953 1.00 0.00 C ATOM 1111 O GLY A 70 12.359 16.098 16.769 1.00 0.00 O ATOM 0 H GLY A 70 12.751 13.804 13.127 1.00 0.00 H new ATOM 0 HA2 GLY A 70 14.146 15.307 15.031 1.00 0.00 H new ATOM 0 HA3 GLY A 70 12.829 15.862 14.016 1.00 0.00 H new TER 1115 GLY A 70