USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 588 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 -78:sc= 0.205 USER MOD Set 1.2: A 50 GLN :FLIP amide:sc=-0.000738 F(o=-0.31,f=0.2) USER MOD Single : A 1 GLY N :NH3+ -97:sc= 0.031 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0865) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0163) USER MOD Single : A 18 GLN : amide:sc= -0.307 K(o=-0.31,f=-5.5!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -3.98! C(o=-4!,f=-7.5!) USER MOD Single : A 30 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.205) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.271 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -128:sc= -0.262 (180deg=-1.79!) USER MOD Single : A 39 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0185) USER MOD Single : A 41 SER OG : rot 74:sc= 1.03 USER MOD Single : A 44 THR OG1 : rot -69:sc= -0.917! USER MOD Single : A 45 SER OG : rot -50:sc= 0.276 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 83:sc= 0.255 USER MOD Single : A 56 GLN : amide:sc= -0.0798 K(o=-0.08,f=-1.2) USER MOD Single : A 57 ASN : amide:sc= -0.346 X(o=-0.35,f=-0.28) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.226 -7.497 -4.173 1.00 0.00 N ATOM 2 CA GLY A 1 -25.208 -6.694 -4.825 1.00 0.00 C ATOM 3 C GLY A 1 -24.510 -5.751 -3.865 1.00 0.00 C ATOM 4 O GLY A 1 -25.084 -5.347 -2.853 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.831 -8.428 -3.930 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.543 -7.018 -3.306 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.034 -7.621 -4.815 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.470 -7.352 -5.284 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.665 -6.117 -5.629 1.00 0.00 H new ATOM 8 N SER A 2 -23.268 -5.400 -4.181 1.00 0.00 N ATOM 9 CA SER A 2 -22.488 -4.503 -3.336 1.00 0.00 C ATOM 10 C SER A 2 -22.273 -3.159 -4.024 1.00 0.00 C ATOM 11 O SER A 2 -21.922 -3.102 -5.203 1.00 0.00 O ATOM 12 CB SER A 2 -21.138 -5.136 -2.993 1.00 0.00 C ATOM 13 OG SER A 2 -20.662 -4.674 -1.741 1.00 0.00 O ATOM 0 H SER A 2 -22.780 -5.723 -5.016 1.00 0.00 H new ATOM 0 HA SER A 2 -23.046 -4.334 -2.415 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.237 -6.221 -2.970 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.413 -4.898 -3.771 1.00 0.00 H new ATOM 0 HG SER A 2 -19.799 -5.094 -1.544 1.00 0.00 H new ATOM 19 N SER A 3 -22.485 -2.079 -3.279 1.00 0.00 N ATOM 20 CA SER A 3 -22.317 -0.734 -3.818 1.00 0.00 C ATOM 21 C SER A 3 -21.108 -0.045 -3.193 1.00 0.00 C ATOM 22 O SER A 3 -20.107 0.206 -3.863 1.00 0.00 O ATOM 23 CB SER A 3 -23.577 0.098 -3.569 1.00 0.00 C ATOM 24 OG SER A 3 -24.747 -0.671 -3.788 1.00 0.00 O ATOM 0 H SER A 3 -22.773 -2.109 -2.301 1.00 0.00 H new ATOM 0 HA SER A 3 -22.151 -0.818 -4.892 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.572 0.475 -2.546 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.580 0.966 -4.228 1.00 0.00 H new ATOM 0 HG SER A 3 -25.538 -0.118 -3.621 1.00 0.00 H new ATOM 30 N GLY A 4 -21.208 0.258 -1.902 1.00 0.00 N ATOM 31 CA GLY A 4 -20.117 0.915 -1.207 1.00 0.00 C ATOM 32 C GLY A 4 -20.347 2.404 -1.043 1.00 0.00 C ATOM 33 O GLY A 4 -21.231 2.977 -1.681 1.00 0.00 O ATOM 0 H GLY A 4 -22.026 0.060 -1.325 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.990 0.460 -0.225 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.190 0.752 -1.756 1.00 0.00 H new ATOM 37 N SER A 5 -19.551 3.033 -0.184 1.00 0.00 N ATOM 38 CA SER A 5 -19.676 4.464 0.066 1.00 0.00 C ATOM 39 C SER A 5 -18.450 4.996 0.802 1.00 0.00 C ATOM 40 O SER A 5 -17.510 4.253 1.082 1.00 0.00 O ATOM 41 CB SER A 5 -20.939 4.753 0.881 1.00 0.00 C ATOM 42 OG SER A 5 -21.149 3.755 1.865 1.00 0.00 O ATOM 0 H SER A 5 -18.813 2.574 0.350 1.00 0.00 H new ATOM 0 HA SER A 5 -19.749 4.971 -0.896 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.852 5.728 1.360 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.802 4.801 0.217 1.00 0.00 H new ATOM 0 HG SER A 5 -21.961 3.963 2.374 1.00 0.00 H new ATOM 48 N SER A 6 -18.468 6.289 1.111 1.00 0.00 N ATOM 49 CA SER A 6 -17.356 6.923 1.811 1.00 0.00 C ATOM 50 C SER A 6 -17.725 7.217 3.262 1.00 0.00 C ATOM 51 O SER A 6 -18.901 7.273 3.616 1.00 0.00 O ATOM 52 CB SER A 6 -16.952 8.217 1.102 1.00 0.00 C ATOM 53 OG SER A 6 -16.916 8.039 -0.303 1.00 0.00 O ATOM 0 H SER A 6 -19.240 6.918 0.888 1.00 0.00 H new ATOM 0 HA SER A 6 -16.512 6.234 1.802 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.658 9.009 1.353 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.973 8.539 1.456 1.00 0.00 H new ATOM 0 HG SER A 6 -16.657 8.881 -0.733 1.00 0.00 H new ATOM 59 N GLY A 7 -16.708 7.406 4.097 1.00 0.00 N ATOM 60 CA GLY A 7 -16.944 7.693 5.500 1.00 0.00 C ATOM 61 C GLY A 7 -16.201 6.743 6.419 1.00 0.00 C ATOM 62 O GLY A 7 -16.383 5.528 6.347 1.00 0.00 O ATOM 0 H GLY A 7 -15.725 7.366 3.827 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.637 8.716 5.715 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.013 7.631 5.706 1.00 0.00 H new ATOM 66 N ARG A 8 -15.359 7.299 7.285 1.00 0.00 N ATOM 67 CA ARG A 8 -14.583 6.493 8.220 1.00 0.00 C ATOM 68 C ARG A 8 -15.444 6.047 9.398 1.00 0.00 C ATOM 69 O ARG A 8 -15.399 6.642 10.475 1.00 0.00 O ATOM 70 CB ARG A 8 -13.375 7.283 8.727 1.00 0.00 C ATOM 71 CG ARG A 8 -12.223 7.337 7.737 1.00 0.00 C ATOM 72 CD ARG A 8 -11.176 8.357 8.157 1.00 0.00 C ATOM 73 NE ARG A 8 -9.987 8.301 7.310 1.00 0.00 N ATOM 74 CZ ARG A 8 -8.987 9.171 7.390 1.00 0.00 C ATOM 75 NH1 ARG A 8 -9.031 10.159 8.273 1.00 0.00 N ATOM 76 NH2 ARG A 8 -7.939 9.054 6.585 1.00 0.00 N ATOM 0 H ARG A 8 -15.197 8.303 7.358 1.00 0.00 H new ATOM 0 HA ARG A 8 -14.233 5.606 7.692 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -13.689 8.300 8.962 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -13.023 6.836 9.657 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.762 6.352 7.659 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -12.603 7.591 6.748 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.606 9.358 8.112 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.891 8.178 9.194 1.00 0.00 H new ATOM 0 HE ARG A 8 -9.921 7.553 6.620 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.835 10.253 8.894 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.261 10.825 8.332 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -7.901 8.295 5.904 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -7.171 9.723 6.647 1.00 0.00 H new ATOM 90 N LYS A 9 -16.228 4.995 9.186 1.00 0.00 N ATOM 91 CA LYS A 9 -17.100 4.468 10.229 1.00 0.00 C ATOM 92 C LYS A 9 -17.032 2.945 10.276 1.00 0.00 C ATOM 93 O LYS A 9 -17.813 2.257 9.617 1.00 0.00 O ATOM 94 CB LYS A 9 -18.543 4.917 9.992 1.00 0.00 C ATOM 95 CG LYS A 9 -18.706 6.426 9.918 1.00 0.00 C ATOM 96 CD LYS A 9 -18.945 7.029 11.292 1.00 0.00 C ATOM 97 CE LYS A 9 -19.650 8.374 11.195 1.00 0.00 C ATOM 98 NZ LYS A 9 -18.732 9.449 10.728 1.00 0.00 N ATOM 0 H LYS A 9 -16.277 4.491 8.301 1.00 0.00 H new ATOM 0 HA LYS A 9 -16.757 4.860 11.187 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -18.904 4.475 9.064 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -19.171 4.531 10.795 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -17.813 6.868 9.476 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -19.541 6.671 9.262 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -19.545 6.345 11.892 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -17.992 7.152 11.807 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -20.493 8.293 10.509 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -20.057 8.642 12.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -19.250 10.349 10.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -17.940 9.544 11.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -18.363 9.206 9.786 1.00 0.00 H new ATOM 112 N LYS A 10 -16.095 2.423 11.060 1.00 0.00 N ATOM 113 CA LYS A 10 -15.926 0.981 11.195 1.00 0.00 C ATOM 114 C LYS A 10 -15.793 0.317 9.828 1.00 0.00 C ATOM 115 O LYS A 10 -16.637 -0.486 9.433 1.00 0.00 O ATOM 116 CB LYS A 10 -17.110 0.377 11.954 1.00 0.00 C ATOM 117 CG LYS A 10 -17.499 1.159 13.196 1.00 0.00 C ATOM 118 CD LYS A 10 -18.652 0.498 13.934 1.00 0.00 C ATOM 119 CE LYS A 10 -18.152 -0.434 15.027 1.00 0.00 C ATOM 120 NZ LYS A 10 -17.623 0.319 16.198 1.00 0.00 N ATOM 0 H LYS A 10 -15.441 2.977 11.612 1.00 0.00 H new ATOM 0 HA LYS A 10 -15.010 0.799 11.758 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -17.969 0.322 11.286 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -16.863 -0.645 12.241 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -16.639 1.239 13.861 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -17.780 2.174 12.915 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -19.292 1.264 14.372 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -19.264 -0.063 13.228 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -18.965 -1.084 15.350 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -17.370 -1.078 14.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -17.530 -0.323 17.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -16.691 0.717 15.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -18.278 1.090 16.439 1.00 0.00 H new ATOM 134 N ARG A 11 -14.727 0.658 9.112 1.00 0.00 N ATOM 135 CA ARG A 11 -14.484 0.095 7.789 1.00 0.00 C ATOM 136 C ARG A 11 -12.991 0.078 7.471 1.00 0.00 C ATOM 137 O ARG A 11 -12.181 0.622 8.222 1.00 0.00 O ATOM 138 CB ARG A 11 -15.233 0.898 6.724 1.00 0.00 C ATOM 139 CG ARG A 11 -15.047 2.401 6.850 1.00 0.00 C ATOM 140 CD ARG A 11 -13.763 2.861 6.177 1.00 0.00 C ATOM 141 NE ARG A 11 -13.716 2.478 4.768 1.00 0.00 N ATOM 142 CZ ARG A 11 -14.348 3.141 3.806 1.00 0.00 C ATOM 143 NH1 ARG A 11 -15.071 4.213 4.098 1.00 0.00 N ATOM 144 NH2 ARG A 11 -14.257 2.731 2.547 1.00 0.00 N ATOM 0 H ARG A 11 -14.018 1.321 9.425 1.00 0.00 H new ATOM 0 HA ARG A 11 -14.851 -0.931 7.786 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -14.895 0.580 5.738 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -16.296 0.666 6.787 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -15.898 2.913 6.401 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -15.027 2.679 7.904 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.678 3.944 6.261 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.907 2.432 6.698 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.168 1.657 4.509 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -15.144 4.532 5.064 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.555 4.719 3.356 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.702 1.907 2.318 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.742 3.240 1.808 1.00 0.00 H new ATOM 158 N ILE A 12 -12.636 -0.550 6.356 1.00 0.00 N ATOM 159 CA ILE A 12 -11.242 -0.638 5.939 1.00 0.00 C ATOM 160 C ILE A 12 -10.590 0.741 5.909 1.00 0.00 C ATOM 161 O ILE A 12 -11.159 1.713 5.411 1.00 0.00 O ATOM 162 CB ILE A 12 -11.110 -1.287 4.549 1.00 0.00 C ATOM 163 CG1 ILE A 12 -11.761 -2.671 4.544 1.00 0.00 C ATOM 164 CG2 ILE A 12 -9.645 -1.383 4.147 1.00 0.00 C ATOM 165 CD1 ILE A 12 -11.182 -3.615 5.575 1.00 0.00 C ATOM 0 H ILE A 12 -13.295 -1.006 5.724 1.00 0.00 H new ATOM 0 HA ILE A 12 -10.732 -1.263 6.672 1.00 0.00 H new ATOM 0 HB ILE A 12 -11.627 -0.661 3.821 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.830 -2.561 4.724 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -11.648 -3.113 3.554 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.567 -1.844 3.162 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.210 -0.384 4.115 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.107 -1.990 4.875 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -11.691 -4.577 5.514 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.118 -3.755 5.383 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.319 -3.194 6.571 1.00 0.00 H new ATOM 177 N PRO A 13 -9.367 0.829 6.452 1.00 0.00 N ATOM 178 CA PRO A 13 -8.610 2.083 6.497 1.00 0.00 C ATOM 179 C PRO A 13 -7.922 2.393 5.172 1.00 0.00 C ATOM 180 O PRO A 13 -8.176 1.737 4.162 1.00 0.00 O ATOM 181 CB PRO A 13 -7.570 1.830 7.593 1.00 0.00 C ATOM 182 CG PRO A 13 -7.391 0.351 7.610 1.00 0.00 C ATOM 183 CD PRO A 13 -8.629 -0.289 7.064 1.00 0.00 C ATOM 0 HA PRO A 13 -9.254 2.941 6.690 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.632 2.340 7.374 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.915 2.198 8.559 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.525 0.068 7.012 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.204 0.005 8.626 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.390 -1.059 6.330 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.211 -0.768 7.851 1.00 0.00 H new ATOM 191 N TYR A 14 -7.051 3.396 5.184 1.00 0.00 N ATOM 192 CA TYR A 14 -6.328 3.794 3.981 1.00 0.00 C ATOM 193 C TYR A 14 -7.288 4.317 2.917 1.00 0.00 C ATOM 194 O TYR A 14 -8.065 3.557 2.339 1.00 0.00 O ATOM 195 CB TYR A 14 -5.528 2.613 3.428 1.00 0.00 C ATOM 196 CG TYR A 14 -4.692 1.906 4.470 1.00 0.00 C ATOM 197 CD1 TYR A 14 -3.613 2.540 5.072 1.00 0.00 C ATOM 198 CD2 TYR A 14 -4.983 0.602 4.854 1.00 0.00 C ATOM 199 CE1 TYR A 14 -2.846 1.897 6.024 1.00 0.00 C ATOM 200 CE2 TYR A 14 -4.223 -0.048 5.807 1.00 0.00 C ATOM 201 CZ TYR A 14 -3.155 0.603 6.388 1.00 0.00 C ATOM 202 OH TYR A 14 -2.395 -0.040 7.338 1.00 0.00 O ATOM 0 H TYR A 14 -6.828 3.948 6.012 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.640 4.596 4.249 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.217 1.897 2.980 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -4.875 2.969 2.631 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.369 3.554 4.791 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -5.817 0.088 4.400 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.009 2.405 6.481 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.464 -1.060 6.096 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.557 -0.347 6.933 1.00 0.00 H new ATOM 212 N SER A 15 -7.226 5.620 2.663 1.00 0.00 N ATOM 213 CA SER A 15 -8.091 6.247 1.670 1.00 0.00 C ATOM 214 C SER A 15 -7.739 5.770 0.264 1.00 0.00 C ATOM 215 O SER A 15 -6.687 5.169 0.044 1.00 0.00 O ATOM 216 CB SER A 15 -7.972 7.770 1.749 1.00 0.00 C ATOM 217 OG SER A 15 -9.149 8.399 1.271 1.00 0.00 O ATOM 0 H SER A 15 -6.586 6.262 3.131 1.00 0.00 H new ATOM 0 HA SER A 15 -9.120 5.958 1.886 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.789 8.071 2.781 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.115 8.102 1.163 1.00 0.00 H new ATOM 0 HG SER A 15 -9.049 9.372 1.334 1.00 0.00 H new ATOM 223 N LYS A 16 -8.628 6.041 -0.686 1.00 0.00 N ATOM 224 CA LYS A 16 -8.413 5.642 -2.071 1.00 0.00 C ATOM 225 C LYS A 16 -7.048 6.109 -2.567 1.00 0.00 C ATOM 226 O LYS A 16 -6.313 5.350 -3.197 1.00 0.00 O ATOM 227 CB LYS A 16 -9.516 6.215 -2.965 1.00 0.00 C ATOM 228 CG LYS A 16 -9.760 5.404 -4.226 1.00 0.00 C ATOM 229 CD LYS A 16 -11.071 5.787 -4.890 1.00 0.00 C ATOM 230 CE LYS A 16 -11.067 5.444 -6.372 1.00 0.00 C ATOM 231 NZ LYS A 16 -10.279 6.426 -7.166 1.00 0.00 N ATOM 0 H LYS A 16 -9.505 6.536 -0.521 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.444 4.553 -2.118 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.443 6.270 -2.394 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.252 7.235 -3.244 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.938 5.560 -4.925 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.772 4.342 -3.980 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.894 5.269 -4.398 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.246 6.855 -4.763 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.651 4.446 -6.513 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.092 5.417 -6.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.384 6.217 -8.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.626 7.387 -6.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.275 6.361 -6.901 1.00 0.00 H new ATOM 245 N GLY A 17 -6.716 7.364 -2.277 1.00 0.00 N ATOM 246 CA GLY A 17 -5.439 7.909 -2.700 1.00 0.00 C ATOM 247 C GLY A 17 -4.263 7.161 -2.105 1.00 0.00 C ATOM 248 O GLY A 17 -3.280 6.890 -2.793 1.00 0.00 O ATOM 0 H GLY A 17 -7.308 8.012 -1.757 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.375 7.874 -3.788 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.382 8.958 -2.411 1.00 0.00 H new ATOM 252 N GLN A 18 -4.363 6.827 -0.822 1.00 0.00 N ATOM 253 CA GLN A 18 -3.298 6.108 -0.135 1.00 0.00 C ATOM 254 C GLN A 18 -3.118 4.711 -0.721 1.00 0.00 C ATOM 255 O GLN A 18 -1.997 4.285 -1.004 1.00 0.00 O ATOM 256 CB GLN A 18 -3.602 6.010 1.361 1.00 0.00 C ATOM 257 CG GLN A 18 -3.491 7.338 2.093 1.00 0.00 C ATOM 258 CD GLN A 18 -4.076 7.286 3.490 1.00 0.00 C ATOM 259 OE1 GLN A 18 -5.294 7.325 3.667 1.00 0.00 O ATOM 260 NE2 GLN A 18 -3.210 7.198 4.492 1.00 0.00 N ATOM 0 H GLN A 18 -5.171 7.043 -0.238 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.371 6.664 -0.275 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.609 5.615 1.493 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.917 5.295 1.816 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.442 7.628 2.153 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.003 8.109 1.518 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -2.209 7.168 4.300 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.546 7.160 5.454 1.00 0.00 H new ATOM 269 N LEU A 19 -4.227 4.003 -0.901 1.00 0.00 N ATOM 270 CA LEU A 19 -4.192 2.653 -1.453 1.00 0.00 C ATOM 271 C LEU A 19 -3.816 2.680 -2.931 1.00 0.00 C ATOM 272 O LEU A 19 -3.335 1.687 -3.478 1.00 0.00 O ATOM 273 CB LEU A 19 -5.549 1.972 -1.272 1.00 0.00 C ATOM 274 CG LEU A 19 -6.053 1.850 0.166 1.00 0.00 C ATOM 275 CD1 LEU A 19 -7.562 1.666 0.190 1.00 0.00 C ATOM 276 CD2 LEU A 19 -5.362 0.696 0.877 1.00 0.00 C ATOM 0 H LEU A 19 -5.162 4.341 -0.673 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.433 2.085 -0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.290 2.525 -1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.491 0.972 -1.701 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.812 2.773 0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.902 1.581 1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.041 2.525 -0.280 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.827 0.760 -0.355 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.733 0.624 1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.571 -0.234 0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.286 0.870 0.893 1.00 0.00 H new ATOM 288 N ARG A 20 -4.038 3.823 -3.572 1.00 0.00 N ATOM 289 CA ARG A 20 -3.722 3.979 -4.987 1.00 0.00 C ATOM 290 C ARG A 20 -2.232 3.763 -5.238 1.00 0.00 C ATOM 291 O ARG A 20 -1.817 3.492 -6.364 1.00 0.00 O ATOM 292 CB ARG A 20 -4.135 5.369 -5.474 1.00 0.00 C ATOM 293 CG ARG A 20 -4.040 5.540 -6.981 1.00 0.00 C ATOM 294 CD ARG A 20 -5.173 4.822 -7.696 1.00 0.00 C ATOM 295 NE ARG A 20 -5.147 5.057 -9.137 1.00 0.00 N ATOM 296 CZ ARG A 20 -6.150 4.748 -9.951 1.00 0.00 C ATOM 297 NH1 ARG A 20 -7.253 4.193 -9.467 1.00 0.00 N ATOM 298 NH2 ARG A 20 -6.051 4.993 -11.251 1.00 0.00 N ATOM 0 H ARG A 20 -4.435 4.654 -3.134 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.280 3.226 -5.543 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.160 5.565 -5.159 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.504 6.116 -4.992 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.066 6.601 -7.230 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.084 5.153 -7.332 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.103 3.752 -7.502 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.128 5.158 -7.291 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.312 5.482 -9.541 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.332 4.003 -8.468 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.022 3.956 -10.094 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.204 5.419 -11.627 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.822 4.755 -11.875 1.00 0.00 H new ATOM 312 N GLU A 21 -1.435 3.885 -4.182 1.00 0.00 N ATOM 313 CA GLU A 21 0.008 3.705 -4.289 1.00 0.00 C ATOM 314 C GLU A 21 0.426 2.336 -3.760 1.00 0.00 C ATOM 315 O GLU A 21 1.353 1.713 -4.279 1.00 0.00 O ATOM 316 CB GLU A 21 0.741 4.806 -3.521 1.00 0.00 C ATOM 317 CG GLU A 21 0.236 6.205 -3.832 1.00 0.00 C ATOM 318 CD GLU A 21 0.238 6.509 -5.317 1.00 0.00 C ATOM 319 OE1 GLU A 21 1.337 6.576 -5.907 1.00 0.00 O ATOM 320 OE2 GLU A 21 -0.858 6.680 -5.890 1.00 0.00 O ATOM 0 H GLU A 21 -1.764 4.108 -3.242 1.00 0.00 H new ATOM 0 HA GLU A 21 0.278 3.767 -5.343 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.639 4.621 -2.452 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.805 4.753 -3.753 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.776 6.317 -3.443 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.858 6.935 -3.315 1.00 0.00 H new ATOM 327 N LEU A 22 -0.265 1.873 -2.724 1.00 0.00 N ATOM 328 CA LEU A 22 0.033 0.577 -2.123 1.00 0.00 C ATOM 329 C LEU A 22 -0.318 -0.560 -3.077 1.00 0.00 C ATOM 330 O LEU A 22 0.400 -1.555 -3.162 1.00 0.00 O ATOM 331 CB LEU A 22 -0.735 0.413 -0.810 1.00 0.00 C ATOM 332 CG LEU A 22 -0.353 1.374 0.316 1.00 0.00 C ATOM 333 CD1 LEU A 22 -1.516 1.558 1.278 1.00 0.00 C ATOM 334 CD2 LEU A 22 0.878 0.867 1.055 1.00 0.00 C ATOM 0 H LEU A 22 -1.035 2.375 -2.283 1.00 0.00 H new ATOM 0 HA LEU A 22 1.103 0.537 -1.918 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.798 0.532 -1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.592 -0.607 -0.454 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.115 2.343 -0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.226 2.245 2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.372 1.966 0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.785 0.595 1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.136 1.563 1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.668 -0.113 1.483 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.713 0.788 0.359 1.00 0.00 H new ATOM 346 N GLU A 23 -1.427 -0.403 -3.794 1.00 0.00 N ATOM 347 CA GLU A 23 -1.872 -1.416 -4.743 1.00 0.00 C ATOM 348 C GLU A 23 -0.818 -1.653 -5.821 1.00 0.00 C ATOM 349 O GLU A 23 -0.505 -2.794 -6.159 1.00 0.00 O ATOM 350 CB GLU A 23 -3.193 -0.996 -5.389 1.00 0.00 C ATOM 351 CG GLU A 23 -4.397 -1.160 -4.477 1.00 0.00 C ATOM 352 CD GLU A 23 -5.713 -1.056 -5.222 1.00 0.00 C ATOM 353 OE1 GLU A 23 -5.685 -0.798 -6.444 1.00 0.00 O ATOM 354 OE2 GLU A 23 -6.772 -1.232 -4.583 1.00 0.00 O ATOM 0 H GLU A 23 -2.033 0.416 -3.735 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.023 -2.347 -4.197 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.121 0.047 -5.698 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.349 -1.586 -6.292 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.341 -2.128 -3.979 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.364 -0.398 -3.698 1.00 0.00 H new ATOM 361 N ARG A 24 -0.274 -0.565 -6.357 1.00 0.00 N ATOM 362 CA ARG A 24 0.743 -0.652 -7.398 1.00 0.00 C ATOM 363 C ARG A 24 1.962 -1.424 -6.903 1.00 0.00 C ATOM 364 O ARG A 24 2.327 -2.455 -7.467 1.00 0.00 O ATOM 365 CB ARG A 24 1.161 0.748 -7.851 1.00 0.00 C ATOM 366 CG ARG A 24 -0.012 1.663 -8.162 1.00 0.00 C ATOM 367 CD ARG A 24 -0.926 1.059 -9.216 1.00 0.00 C ATOM 368 NE ARG A 24 -0.177 0.543 -10.359 1.00 0.00 N ATOM 369 CZ ARG A 24 -0.694 -0.279 -11.266 1.00 0.00 C ATOM 370 NH1 ARG A 24 -1.956 -0.675 -11.164 1.00 0.00 N ATOM 371 NH2 ARG A 24 0.051 -0.706 -12.277 1.00 0.00 N ATOM 0 H ARG A 24 -0.521 0.387 -6.087 1.00 0.00 H new ATOM 0 HA ARG A 24 0.315 -1.187 -8.246 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.771 1.206 -7.072 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.788 0.661 -8.738 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.580 1.851 -7.251 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.359 2.627 -8.510 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.509 0.253 -8.771 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.634 1.814 -9.558 1.00 0.00 H new ATOM 0 HE ARG A 24 0.796 0.829 -10.467 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.532 -0.348 -10.388 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.350 -1.306 -11.862 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.022 -0.403 -12.359 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.347 -1.337 -12.973 1.00 0.00 H new ATOM 385 N GLU A 25 2.588 -0.916 -5.845 1.00 0.00 N ATOM 386 CA GLU A 25 3.767 -1.558 -5.275 1.00 0.00 C ATOM 387 C GLU A 25 3.496 -3.030 -4.978 1.00 0.00 C ATOM 388 O GLU A 25 4.375 -3.878 -5.133 1.00 0.00 O ATOM 389 CB GLU A 25 4.197 -0.839 -3.995 1.00 0.00 C ATOM 390 CG GLU A 25 5.151 0.319 -4.238 1.00 0.00 C ATOM 391 CD GLU A 25 4.753 1.161 -5.435 1.00 0.00 C ATOM 392 OE1 GLU A 25 5.069 0.760 -6.575 1.00 0.00 O ATOM 393 OE2 GLU A 25 4.125 2.221 -5.232 1.00 0.00 O ATOM 0 H GLU A 25 2.299 -0.063 -5.366 1.00 0.00 H new ATOM 0 HA GLU A 25 4.572 -1.496 -6.007 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.310 -0.467 -3.482 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.673 -1.557 -3.327 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.185 0.950 -3.350 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.158 -0.070 -4.391 1.00 0.00 H new ATOM 400 N TYR A 26 2.273 -3.325 -4.551 1.00 0.00 N ATOM 401 CA TYR A 26 1.886 -4.694 -4.229 1.00 0.00 C ATOM 402 C TYR A 26 1.881 -5.567 -5.480 1.00 0.00 C ATOM 403 O TYR A 26 2.440 -6.663 -5.488 1.00 0.00 O ATOM 404 CB TYR A 26 0.505 -4.714 -3.573 1.00 0.00 C ATOM 405 CG TYR A 26 -0.019 -6.107 -3.307 1.00 0.00 C ATOM 406 CD1 TYR A 26 0.678 -6.989 -2.490 1.00 0.00 C ATOM 407 CD2 TYR A 26 -1.211 -6.542 -3.873 1.00 0.00 C ATOM 408 CE1 TYR A 26 0.204 -8.263 -2.245 1.00 0.00 C ATOM 409 CE2 TYR A 26 -1.694 -7.814 -3.632 1.00 0.00 C ATOM 410 CZ TYR A 26 -0.983 -8.671 -2.818 1.00 0.00 C ATOM 411 OH TYR A 26 -1.459 -9.939 -2.576 1.00 0.00 O ATOM 0 H TYR A 26 1.533 -2.635 -4.420 1.00 0.00 H new ATOM 0 HA TYR A 26 2.619 -5.098 -3.530 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.551 -4.166 -2.632 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.200 -4.186 -4.215 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.607 -6.673 -2.039 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.770 -5.874 -4.512 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.759 -8.936 -1.609 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.623 -8.135 -4.079 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.306 -10.067 -3.053 1.00 0.00 H new ATOM 421 N ALA A 27 1.244 -5.071 -6.536 1.00 0.00 N ATOM 422 CA ALA A 27 1.167 -5.804 -7.794 1.00 0.00 C ATOM 423 C ALA A 27 2.537 -5.902 -8.457 1.00 0.00 C ATOM 424 O ALA A 27 2.825 -6.865 -9.167 1.00 0.00 O ATOM 425 CB ALA A 27 0.172 -5.138 -8.732 1.00 0.00 C ATOM 0 H ALA A 27 0.774 -4.166 -6.545 1.00 0.00 H new ATOM 0 HA ALA A 27 0.824 -6.816 -7.576 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.124 -5.696 -9.667 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.814 -5.125 -8.267 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.491 -4.116 -8.935 1.00 0.00 H new ATOM 431 N ALA A 28 3.377 -4.900 -8.220 1.00 0.00 N ATOM 432 CA ALA A 28 4.717 -4.876 -8.793 1.00 0.00 C ATOM 433 C ALA A 28 5.678 -5.736 -7.980 1.00 0.00 C ATOM 434 O ALA A 28 6.676 -6.231 -8.501 1.00 0.00 O ATOM 435 CB ALA A 28 5.229 -3.445 -8.877 1.00 0.00 C ATOM 0 H ALA A 28 3.153 -4.095 -7.635 1.00 0.00 H new ATOM 0 HA ALA A 28 4.662 -5.291 -9.799 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.231 -3.442 -9.307 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.562 -2.856 -9.507 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.261 -3.011 -7.878 1.00 0.00 H new ATOM 441 N ASN A 29 5.370 -5.910 -6.699 1.00 0.00 N ATOM 442 CA ASN A 29 6.207 -6.710 -5.813 1.00 0.00 C ATOM 443 C ASN A 29 5.499 -6.977 -4.488 1.00 0.00 C ATOM 444 O ASN A 29 5.343 -6.077 -3.662 1.00 0.00 O ATOM 445 CB ASN A 29 7.539 -6.001 -5.558 1.00 0.00 C ATOM 446 CG ASN A 29 7.352 -4.597 -5.018 1.00 0.00 C ATOM 447 OD1 ASN A 29 7.503 -4.355 -3.820 1.00 0.00 O ATOM 448 ND2 ASN A 29 7.021 -3.662 -5.901 1.00 0.00 N ATOM 0 H ASN A 29 4.547 -5.507 -6.251 1.00 0.00 H new ATOM 0 HA ASN A 29 6.398 -7.666 -6.301 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.128 -6.584 -4.850 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.108 -5.957 -6.487 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.882 -2.699 -5.596 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.906 -3.907 -6.884 1.00 0.00 H new ATOM 455 N LYS A 30 5.072 -8.220 -4.292 1.00 0.00 N ATOM 456 CA LYS A 30 4.381 -8.608 -3.068 1.00 0.00 C ATOM 457 C LYS A 30 5.206 -8.240 -1.838 1.00 0.00 C ATOM 458 O LYS A 30 4.658 -7.973 -0.769 1.00 0.00 O ATOM 459 CB LYS A 30 4.097 -10.112 -3.073 1.00 0.00 C ATOM 460 CG LYS A 30 3.331 -10.582 -4.297 1.00 0.00 C ATOM 461 CD LYS A 30 1.929 -9.997 -4.336 1.00 0.00 C ATOM 462 CE LYS A 30 1.298 -10.154 -5.711 1.00 0.00 C ATOM 463 NZ LYS A 30 0.552 -11.437 -5.835 1.00 0.00 N ATOM 0 H LYS A 30 5.192 -8.976 -4.966 1.00 0.00 H new ATOM 0 HA LYS A 30 3.436 -8.066 -3.026 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.042 -10.652 -3.017 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.529 -10.369 -2.179 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.872 -10.294 -5.199 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.272 -11.670 -4.295 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.306 -10.491 -3.590 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.967 -8.941 -4.070 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.621 -9.321 -5.897 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.075 -10.110 -6.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.027 -11.420 -6.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.226 -12.227 -5.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.065 -11.561 -5.007 1.00 0.00 H new ATOM 477 N PHE A 31 6.525 -8.226 -1.998 1.00 0.00 N ATOM 478 CA PHE A 31 7.424 -7.890 -0.901 1.00 0.00 C ATOM 479 C PHE A 31 8.274 -6.671 -1.248 1.00 0.00 C ATOM 480 O PHE A 31 9.226 -6.765 -2.023 1.00 0.00 O ATOM 481 CB PHE A 31 8.329 -9.079 -0.572 1.00 0.00 C ATOM 482 CG PHE A 31 7.593 -10.248 0.017 1.00 0.00 C ATOM 483 CD1 PHE A 31 6.765 -11.030 -0.772 1.00 0.00 C ATOM 484 CD2 PHE A 31 7.729 -10.565 1.359 1.00 0.00 C ATOM 485 CE1 PHE A 31 6.085 -12.106 -0.232 1.00 0.00 C ATOM 486 CE2 PHE A 31 7.053 -11.640 1.904 1.00 0.00 C ATOM 487 CZ PHE A 31 6.230 -12.412 1.107 1.00 0.00 C ATOM 0 H PHE A 31 6.995 -8.443 -2.877 1.00 0.00 H new ATOM 0 HA PHE A 31 6.817 -7.652 -0.028 1.00 0.00 H new ATOM 0 HB2 PHE A 31 8.837 -9.401 -1.481 1.00 0.00 H new ATOM 0 HB3 PHE A 31 9.100 -8.756 0.127 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.649 -10.797 -1.820 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.371 -9.965 1.987 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.441 -12.707 -0.857 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.168 -11.876 2.952 1.00 0.00 H new ATOM 0 HZ PHE A 31 5.701 -13.253 1.530 1.00 0.00 H new ATOM 497 N ILE A 32 7.921 -5.528 -0.669 1.00 0.00 N ATOM 498 CA ILE A 32 8.651 -4.290 -0.917 1.00 0.00 C ATOM 499 C ILE A 32 9.964 -4.261 -0.142 1.00 0.00 C ATOM 500 O ILE A 32 10.203 -5.100 0.728 1.00 0.00 O ATOM 501 CB ILE A 32 7.813 -3.056 -0.532 1.00 0.00 C ATOM 502 CG1 ILE A 32 7.573 -3.027 0.979 1.00 0.00 C ATOM 503 CG2 ILE A 32 6.491 -3.058 -1.283 1.00 0.00 C ATOM 504 CD1 ILE A 32 6.809 -1.808 1.447 1.00 0.00 C ATOM 0 H ILE A 32 7.135 -5.433 -0.026 1.00 0.00 H new ATOM 0 HA ILE A 32 8.862 -4.257 -1.986 1.00 0.00 H new ATOM 0 HB ILE A 32 8.365 -2.159 -0.811 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.024 -3.923 1.269 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.534 -3.062 1.492 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.910 -2.180 -1.000 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.682 -3.036 -2.356 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.931 -3.959 -1.032 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.676 -1.855 2.528 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.367 -0.908 1.189 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.833 -1.782 0.962 1.00 0.00 H new ATOM 516 N THR A 33 10.812 -3.289 -0.462 1.00 0.00 N ATOM 517 CA THR A 33 12.101 -3.150 0.204 1.00 0.00 C ATOM 518 C THR A 33 12.089 -1.986 1.188 1.00 0.00 C ATOM 519 O THR A 33 11.245 -1.093 1.100 1.00 0.00 O ATOM 520 CB THR A 33 13.239 -2.936 -0.812 1.00 0.00 C ATOM 521 OG1 THR A 33 14.455 -2.618 -0.126 1.00 0.00 O ATOM 522 CG2 THR A 33 12.892 -1.820 -1.785 1.00 0.00 C ATOM 0 H THR A 33 10.629 -2.586 -1.178 1.00 0.00 H new ATOM 0 HA THR A 33 12.278 -4.079 0.746 1.00 0.00 H new ATOM 0 HB THR A 33 13.372 -3.859 -1.376 1.00 0.00 H new ATOM 0 HG1 THR A 33 15.174 -2.485 -0.779 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.710 -1.687 -2.493 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.982 -2.079 -2.327 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.735 -0.893 -1.234 1.00 0.00 H new ATOM 530 N LYS A 34 13.029 -2.001 2.127 1.00 0.00 N ATOM 531 CA LYS A 34 13.128 -0.945 3.128 1.00 0.00 C ATOM 532 C LYS A 34 13.144 0.430 2.468 1.00 0.00 C ATOM 533 O LYS A 34 12.620 1.399 3.019 1.00 0.00 O ATOM 534 CB LYS A 34 14.391 -1.132 3.972 1.00 0.00 C ATOM 535 CG LYS A 34 14.148 -1.877 5.273 1.00 0.00 C ATOM 536 CD LYS A 34 15.452 -2.327 5.910 1.00 0.00 C ATOM 537 CE LYS A 34 16.177 -1.168 6.575 1.00 0.00 C ATOM 538 NZ LYS A 34 17.581 -1.520 6.925 1.00 0.00 N ATOM 0 H LYS A 34 13.734 -2.733 2.216 1.00 0.00 H new ATOM 0 HA LYS A 34 12.253 -1.008 3.775 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.133 -1.674 3.386 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.816 -0.154 4.197 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.607 -1.233 5.966 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.516 -2.745 5.084 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.249 -3.102 6.649 1.00 0.00 H new ATOM 0 HD3 LYS A 34 16.095 -2.772 5.150 1.00 0.00 H new ATOM 0 HE2 LYS A 34 16.174 -0.307 5.907 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.641 -0.874 7.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 18.041 -0.704 7.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.583 -2.326 7.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 18.100 -1.776 6.061 1.00 0.00 H new ATOM 552 N ASP A 35 13.746 0.508 1.287 1.00 0.00 N ATOM 553 CA ASP A 35 13.827 1.764 0.551 1.00 0.00 C ATOM 554 C ASP A 35 12.462 2.157 -0.006 1.00 0.00 C ATOM 555 O ASP A 35 12.122 3.339 -0.069 1.00 0.00 O ATOM 556 CB ASP A 35 14.842 1.649 -0.588 1.00 0.00 C ATOM 557 CG ASP A 35 15.483 2.979 -0.929 1.00 0.00 C ATOM 558 OD1 ASP A 35 16.468 3.353 -0.258 1.00 0.00 O ATOM 559 OD2 ASP A 35 15.001 3.646 -1.868 1.00 0.00 O ATOM 0 H ASP A 35 14.185 -0.284 0.818 1.00 0.00 H new ATOM 0 HA ASP A 35 14.155 2.540 1.242 1.00 0.00 H new ATOM 0 HB2 ASP A 35 15.618 0.936 -0.309 1.00 0.00 H new ATOM 0 HB3 ASP A 35 14.347 1.250 -1.473 1.00 0.00 H new ATOM 564 N LYS A 36 11.684 1.159 -0.410 1.00 0.00 N ATOM 565 CA LYS A 36 10.356 1.398 -0.961 1.00 0.00 C ATOM 566 C LYS A 36 9.381 1.824 0.132 1.00 0.00 C ATOM 567 O LYS A 36 8.645 2.798 -0.024 1.00 0.00 O ATOM 568 CB LYS A 36 9.837 0.140 -1.661 1.00 0.00 C ATOM 569 CG LYS A 36 8.397 0.255 -2.130 1.00 0.00 C ATOM 570 CD LYS A 36 8.250 1.294 -3.229 1.00 0.00 C ATOM 571 CE LYS A 36 8.647 0.730 -4.585 1.00 0.00 C ATOM 572 NZ LYS A 36 10.103 0.894 -4.849 1.00 0.00 N ATOM 0 H LYS A 36 11.951 0.176 -0.366 1.00 0.00 H new ATOM 0 HA LYS A 36 10.433 2.206 -1.689 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.473 -0.077 -2.519 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.922 -0.706 -0.979 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.054 -0.713 -2.495 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.759 0.522 -1.288 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.218 1.642 -3.266 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.870 2.160 -2.998 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.387 -0.328 -4.629 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.077 1.231 -5.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.239 1.352 -5.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.526 1.484 -4.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.562 -0.039 -4.854 1.00 0.00 H new ATOM 586 N ARG A 37 9.383 1.088 1.239 1.00 0.00 N ATOM 587 CA ARG A 37 8.499 1.390 2.358 1.00 0.00 C ATOM 588 C ARG A 37 8.631 2.851 2.777 1.00 0.00 C ATOM 589 O ARG A 37 7.658 3.477 3.198 1.00 0.00 O ATOM 590 CB ARG A 37 8.815 0.478 3.546 1.00 0.00 C ATOM 591 CG ARG A 37 7.644 0.287 4.495 1.00 0.00 C ATOM 592 CD ARG A 37 7.663 -1.093 5.134 1.00 0.00 C ATOM 593 NE ARG A 37 8.743 -1.230 6.107 1.00 0.00 N ATOM 594 CZ ARG A 37 9.166 -2.399 6.576 1.00 0.00 C ATOM 595 NH1 ARG A 37 8.602 -3.526 6.162 1.00 0.00 N ATOM 596 NH2 ARG A 37 10.155 -2.443 7.460 1.00 0.00 N ATOM 0 H ARG A 37 9.987 0.279 1.385 1.00 0.00 H new ATOM 0 HA ARG A 37 7.473 1.214 2.035 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.131 -0.496 3.172 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.656 0.895 4.100 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.677 1.050 5.273 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.709 0.425 3.953 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.707 -1.279 5.624 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.776 -1.850 4.358 1.00 0.00 H new ATOM 0 HE ARG A 37 9.198 -0.382 6.445 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.842 -3.496 5.482 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.928 -4.422 6.523 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.592 -1.579 7.780 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.479 -3.341 7.819 1.00 0.00 H new ATOM 610 N ARG A 38 9.841 3.389 2.658 1.00 0.00 N ATOM 611 CA ARG A 38 10.100 4.775 3.026 1.00 0.00 C ATOM 612 C ARG A 38 9.450 5.732 2.031 1.00 0.00 C ATOM 613 O ARG A 38 9.002 6.819 2.399 1.00 0.00 O ATOM 614 CB ARG A 38 11.607 5.035 3.089 1.00 0.00 C ATOM 615 CG ARG A 38 12.292 4.361 4.266 1.00 0.00 C ATOM 616 CD ARG A 38 13.803 4.522 4.198 1.00 0.00 C ATOM 617 NE ARG A 38 14.206 5.925 4.255 1.00 0.00 N ATOM 618 CZ ARG A 38 15.443 6.344 4.011 1.00 0.00 C ATOM 619 NH1 ARG A 38 16.392 5.473 3.696 1.00 0.00 N ATOM 620 NH2 ARG A 38 15.733 7.637 4.083 1.00 0.00 N ATOM 0 H ARG A 38 10.657 2.886 2.310 1.00 0.00 H new ATOM 0 HA ARG A 38 9.666 4.951 4.010 1.00 0.00 H new ATOM 0 HB2 ARG A 38 12.066 4.687 2.164 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.780 6.110 3.146 1.00 0.00 H new ATOM 0 HG2 ARG A 38 11.921 4.788 5.198 1.00 0.00 H new ATOM 0 HG3 ARG A 38 12.038 3.301 4.278 1.00 0.00 H new ATOM 0 HD2 ARG A 38 14.263 3.979 5.023 1.00 0.00 H new ATOM 0 HD3 ARG A 38 14.174 4.075 3.276 1.00 0.00 H new ATOM 0 HE ARG A 38 13.500 6.621 4.495 1.00 0.00 H new ATOM 0 HH11 ARG A 38 16.173 4.478 3.640 1.00 0.00 H new ATOM 0 HH12 ARG A 38 17.341 5.798 3.509 1.00 0.00 H new ATOM 0 HH21 ARG A 38 15.006 8.310 4.326 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.683 7.958 3.896 1.00 0.00 H new ATOM 634 N LYS A 39 9.400 5.321 0.768 1.00 0.00 N ATOM 635 CA LYS A 39 8.804 6.140 -0.281 1.00 0.00 C ATOM 636 C LYS A 39 7.285 6.172 -0.148 1.00 0.00 C ATOM 637 O LYS A 39 6.671 7.239 -0.195 1.00 0.00 O ATOM 638 CB LYS A 39 9.195 5.603 -1.659 1.00 0.00 C ATOM 639 CG LYS A 39 10.682 5.708 -1.953 1.00 0.00 C ATOM 640 CD LYS A 39 11.077 7.125 -2.334 1.00 0.00 C ATOM 641 CE LYS A 39 12.392 7.151 -3.097 1.00 0.00 C ATOM 642 NZ LYS A 39 13.518 6.618 -2.281 1.00 0.00 N ATOM 0 H LYS A 39 9.765 4.425 0.446 1.00 0.00 H new ATOM 0 HA LYS A 39 9.182 7.157 -0.174 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.891 4.559 -1.732 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.643 6.150 -2.423 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.250 5.394 -1.077 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.943 5.027 -2.763 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.292 7.571 -2.945 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.165 7.734 -1.434 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.294 6.562 -4.009 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.616 8.174 -3.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.410 6.731 -2.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.574 7.141 -1.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.357 5.609 -2.084 1.00 0.00 H new ATOM 656 N ILE A 40 6.685 4.999 0.019 1.00 0.00 N ATOM 657 CA ILE A 40 5.238 4.894 0.161 1.00 0.00 C ATOM 658 C ILE A 40 4.749 5.657 1.387 1.00 0.00 C ATOM 659 O ILE A 40 3.680 6.267 1.367 1.00 0.00 O ATOM 660 CB ILE A 40 4.788 3.425 0.271 1.00 0.00 C ATOM 661 CG1 ILE A 40 5.311 2.618 -0.919 1.00 0.00 C ATOM 662 CG2 ILE A 40 3.271 3.341 0.349 1.00 0.00 C ATOM 663 CD1 ILE A 40 5.126 1.125 -0.765 1.00 0.00 C ATOM 0 H ILE A 40 7.178 4.107 0.059 1.00 0.00 H new ATOM 0 HA ILE A 40 4.800 5.333 -0.736 1.00 0.00 H new ATOM 0 HB ILE A 40 5.204 3.000 1.185 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.800 2.948 -1.824 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.371 2.832 -1.055 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.968 2.297 0.426 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.921 3.886 1.225 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.836 3.780 -0.549 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.519 0.617 -1.645 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.660 0.782 0.121 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.065 0.899 -0.659 1.00 0.00 H new ATOM 675 N SER A 41 5.541 5.620 2.455 1.00 0.00 N ATOM 676 CA SER A 41 5.188 6.307 3.692 1.00 0.00 C ATOM 677 C SER A 41 5.117 7.815 3.475 1.00 0.00 C ATOM 678 O SER A 41 4.458 8.531 4.227 1.00 0.00 O ATOM 679 CB SER A 41 6.207 5.985 4.787 1.00 0.00 C ATOM 680 OG SER A 41 6.349 7.071 5.687 1.00 0.00 O ATOM 0 H SER A 41 6.430 5.122 2.488 1.00 0.00 H new ATOM 0 HA SER A 41 4.205 5.956 4.006 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.891 5.096 5.332 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.172 5.755 4.334 1.00 0.00 H new ATOM 0 HG SER A 41 5.560 7.121 6.267 1.00 0.00 H new ATOM 686 N ALA A 42 5.802 8.291 2.440 1.00 0.00 N ATOM 687 CA ALA A 42 5.816 9.713 2.121 1.00 0.00 C ATOM 688 C ALA A 42 4.664 10.079 1.191 1.00 0.00 C ATOM 689 O ALA A 42 4.058 11.141 1.327 1.00 0.00 O ATOM 690 CB ALA A 42 7.147 10.101 1.494 1.00 0.00 C ATOM 0 H ALA A 42 6.355 7.712 1.808 1.00 0.00 H new ATOM 0 HA ALA A 42 5.689 10.269 3.050 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.143 11.166 1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.955 9.886 2.193 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.298 9.530 0.578 1.00 0.00 H new ATOM 696 N ALA A 43 4.368 9.192 0.247 1.00 0.00 N ATOM 697 CA ALA A 43 3.288 9.421 -0.705 1.00 0.00 C ATOM 698 C ALA A 43 1.926 9.238 -0.044 1.00 0.00 C ATOM 699 O ALA A 43 1.027 10.063 -0.212 1.00 0.00 O ATOM 700 CB ALA A 43 3.428 8.486 -1.897 1.00 0.00 C ATOM 0 H ALA A 43 4.861 8.308 0.121 1.00 0.00 H new ATOM 0 HA ALA A 43 3.358 10.451 -1.055 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.615 8.668 -2.600 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.382 8.667 -2.391 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.387 7.452 -1.555 1.00 0.00 H new ATOM 706 N THR A 44 1.780 8.152 0.709 1.00 0.00 N ATOM 707 CA THR A 44 0.527 7.860 1.393 1.00 0.00 C ATOM 708 C THR A 44 0.493 8.501 2.776 1.00 0.00 C ATOM 709 O THR A 44 -0.548 8.533 3.431 1.00 0.00 O ATOM 710 CB THR A 44 0.306 6.343 1.538 1.00 0.00 C ATOM 711 OG1 THR A 44 1.253 5.796 2.462 1.00 0.00 O ATOM 712 CG2 THR A 44 0.441 5.646 0.193 1.00 0.00 C ATOM 0 H THR A 44 2.514 7.460 0.860 1.00 0.00 H new ATOM 0 HA THR A 44 -0.272 8.279 0.781 1.00 0.00 H new ATOM 0 HB THR A 44 -0.704 6.179 1.914 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.151 5.833 2.071 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.281 4.575 0.320 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.301 6.044 -0.499 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.440 5.818 -0.207 1.00 0.00 H new ATOM 720 N SER A 45 1.640 9.012 3.214 1.00 0.00 N ATOM 721 CA SER A 45 1.742 9.651 4.521 1.00 0.00 C ATOM 722 C SER A 45 1.459 8.650 5.638 1.00 0.00 C ATOM 723 O SER A 45 0.978 9.018 6.710 1.00 0.00 O ATOM 724 CB SER A 45 0.768 10.826 4.616 1.00 0.00 C ATOM 725 OG SER A 45 1.082 11.661 5.717 1.00 0.00 O ATOM 0 H SER A 45 2.511 8.996 2.683 1.00 0.00 H new ATOM 0 HA SER A 45 2.760 10.022 4.638 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.802 11.406 3.694 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.250 10.451 4.719 1.00 0.00 H new ATOM 0 HG SER A 45 1.179 11.115 6.525 1.00 0.00 H new ATOM 731 N LEU A 46 1.762 7.383 5.378 1.00 0.00 N ATOM 732 CA LEU A 46 1.541 6.327 6.361 1.00 0.00 C ATOM 733 C LEU A 46 2.847 5.939 7.046 1.00 0.00 C ATOM 734 O LEU A 46 3.899 6.517 6.773 1.00 0.00 O ATOM 735 CB LEU A 46 0.920 5.101 5.689 1.00 0.00 C ATOM 736 CG LEU A 46 -0.490 5.285 5.126 1.00 0.00 C ATOM 737 CD1 LEU A 46 -0.761 4.273 4.024 1.00 0.00 C ATOM 738 CD2 LEU A 46 -1.526 5.162 6.233 1.00 0.00 C ATOM 0 H LEU A 46 2.161 7.062 4.496 1.00 0.00 H new ATOM 0 HA LEU A 46 0.854 6.706 7.118 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.575 4.786 4.877 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.897 4.287 6.414 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.562 6.285 4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.769 4.419 3.636 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.039 4.409 3.219 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.670 3.264 4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.523 5.296 5.814 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.454 4.175 6.691 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.344 5.927 6.988 1.00 0.00 H new ATOM 750 N SER A 47 2.772 4.955 7.937 1.00 0.00 N ATOM 751 CA SER A 47 3.948 4.490 8.663 1.00 0.00 C ATOM 752 C SER A 47 4.476 3.189 8.066 1.00 0.00 C ATOM 753 O SER A 47 3.725 2.418 7.471 1.00 0.00 O ATOM 754 CB SER A 47 3.614 4.288 10.142 1.00 0.00 C ATOM 755 OG SER A 47 3.865 5.466 10.888 1.00 0.00 O ATOM 0 H SER A 47 1.909 4.465 8.173 1.00 0.00 H new ATOM 0 HA SER A 47 4.724 5.251 8.574 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.567 4.005 10.246 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.208 3.467 10.543 1.00 0.00 H new ATOM 0 HG SER A 47 3.642 5.311 11.830 1.00 0.00 H new ATOM 761 N GLU A 48 5.774 2.953 8.231 1.00 0.00 N ATOM 762 CA GLU A 48 6.403 1.746 7.708 1.00 0.00 C ATOM 763 C GLU A 48 5.646 0.500 8.158 1.00 0.00 C ATOM 764 O GLU A 48 5.422 -0.421 7.372 1.00 0.00 O ATOM 765 CB GLU A 48 7.861 1.664 8.167 1.00 0.00 C ATOM 766 CG GLU A 48 8.677 2.899 7.824 1.00 0.00 C ATOM 767 CD GLU A 48 10.141 2.750 8.187 1.00 0.00 C ATOM 768 OE1 GLU A 48 10.475 1.804 8.931 1.00 0.00 O ATOM 769 OE2 GLU A 48 10.954 3.579 7.725 1.00 0.00 O ATOM 0 H GLU A 48 6.410 3.581 8.722 1.00 0.00 H new ATOM 0 HA GLU A 48 6.375 1.794 6.619 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.885 1.511 9.246 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.328 0.792 7.710 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.590 3.102 6.757 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.263 3.761 8.347 1.00 0.00 H new ATOM 776 N ARG A 49 5.255 0.478 9.429 1.00 0.00 N ATOM 777 CA ARG A 49 4.526 -0.655 9.984 1.00 0.00 C ATOM 778 C ARG A 49 3.155 -0.793 9.329 1.00 0.00 C ATOM 779 O ARG A 49 2.774 -1.877 8.887 1.00 0.00 O ATOM 780 CB ARG A 49 4.366 -0.493 11.497 1.00 0.00 C ATOM 781 CG ARG A 49 3.621 -1.643 12.157 1.00 0.00 C ATOM 782 CD ARG A 49 4.307 -2.974 11.895 1.00 0.00 C ATOM 783 NE ARG A 49 3.883 -4.004 12.839 1.00 0.00 N ATOM 784 CZ ARG A 49 4.353 -4.104 14.078 1.00 0.00 C ATOM 785 NH1 ARG A 49 5.257 -3.240 14.519 1.00 0.00 N ATOM 786 NH2 ARG A 49 3.917 -5.069 14.878 1.00 0.00 N ATOM 0 H ARG A 49 5.431 1.232 10.093 1.00 0.00 H new ATOM 0 HA ARG A 49 5.099 -1.559 9.780 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.353 -0.403 11.951 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.835 0.437 11.700 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.560 -1.469 13.231 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.599 -1.679 11.781 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.087 -3.301 10.879 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.387 -2.844 11.961 1.00 0.00 H new ATOM 0 HE ARG A 49 3.188 -4.684 12.531 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.593 -2.497 13.907 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.616 -3.319 15.470 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.221 -5.734 14.542 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.278 -5.145 15.829 1.00 0.00 H new ATOM 800 N GLN A 50 2.418 0.312 9.271 1.00 0.00 N ATOM 801 CA GLN A 50 1.089 0.313 8.671 1.00 0.00 C ATOM 802 C GLN A 50 1.125 -0.285 7.269 1.00 0.00 C ATOM 803 O GLN A 50 0.405 -1.239 6.972 1.00 0.00 O ATOM 804 CB GLN A 50 0.532 1.737 8.617 1.00 0.00 C ATOM 805 CG GLN A 50 -0.115 2.187 9.917 1.00 0.00 C ATOM 806 CD GLN A 50 -1.600 1.884 9.964 1.00 0.00 C ATOM 807 OE1 GLN A 50 -2.359 2.499 9.065 1.00 0.00 O flip ATOM 808 NE2 GLN A 50 -2.060 1.105 10.800 1.00 0.00 N flip ATOM 0 H GLN A 50 2.719 1.217 9.632 1.00 0.00 H new ATOM 0 HA GLN A 50 0.437 -0.301 9.292 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.339 2.425 8.366 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.203 1.801 7.814 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.379 1.694 10.754 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.038 3.259 10.043 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.440 0.654 11.473 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.061 0.911 10.820 1.00 0.00 H new ATOM 817 N ILE A 51 1.966 0.282 6.410 1.00 0.00 N ATOM 818 CA ILE A 51 2.095 -0.197 5.039 1.00 0.00 C ATOM 819 C ILE A 51 2.362 -1.697 5.004 1.00 0.00 C ATOM 820 O ILE A 51 1.781 -2.425 4.197 1.00 0.00 O ATOM 821 CB ILE A 51 3.227 0.533 4.293 1.00 0.00 C ATOM 822 CG1 ILE A 51 2.968 2.041 4.276 1.00 0.00 C ATOM 823 CG2 ILE A 51 3.359 -0.003 2.875 1.00 0.00 C ATOM 824 CD1 ILE A 51 4.204 2.863 3.988 1.00 0.00 C ATOM 0 H ILE A 51 2.568 1.073 6.639 1.00 0.00 H new ATOM 0 HA ILE A 51 1.149 0.012 4.541 1.00 0.00 H new ATOM 0 HB ILE A 51 4.164 0.351 4.819 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.211 2.263 3.524 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.558 2.342 5.240 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.163 0.523 2.361 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.586 -1.069 2.908 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.423 0.152 2.339 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.946 3.922 3.992 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.956 2.670 4.754 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.603 2.590 3.011 1.00 0.00 H new ATOM 836 N THR A 52 3.245 -2.157 5.885 1.00 0.00 N ATOM 837 CA THR A 52 3.589 -3.571 5.956 1.00 0.00 C ATOM 838 C THR A 52 2.359 -4.423 6.250 1.00 0.00 C ATOM 839 O THR A 52 2.080 -5.391 5.543 1.00 0.00 O ATOM 840 CB THR A 52 4.654 -3.837 7.037 1.00 0.00 C ATOM 841 OG1 THR A 52 5.846 -3.101 6.741 1.00 0.00 O ATOM 842 CG2 THR A 52 4.977 -5.321 7.125 1.00 0.00 C ATOM 0 H THR A 52 3.735 -1.570 6.560 1.00 0.00 H new ATOM 0 HA THR A 52 3.994 -3.846 4.982 1.00 0.00 H new ATOM 0 HB THR A 52 4.255 -3.511 7.997 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.749 -2.179 7.060 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.731 -5.484 7.895 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.074 -5.876 7.379 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.358 -5.668 6.165 1.00 0.00 H new ATOM 850 N ILE A 53 1.628 -4.055 7.297 1.00 0.00 N ATOM 851 CA ILE A 53 0.427 -4.785 7.683 1.00 0.00 C ATOM 852 C ILE A 53 -0.515 -4.959 6.497 1.00 0.00 C ATOM 853 O ILE A 53 -1.048 -6.045 6.268 1.00 0.00 O ATOM 854 CB ILE A 53 -0.325 -4.070 8.821 1.00 0.00 C ATOM 855 CG1 ILE A 53 0.582 -3.916 10.044 1.00 0.00 C ATOM 856 CG2 ILE A 53 -1.588 -4.836 9.185 1.00 0.00 C ATOM 857 CD1 ILE A 53 0.121 -2.845 11.007 1.00 0.00 C ATOM 0 H ILE A 53 1.846 -3.256 7.893 1.00 0.00 H new ATOM 0 HA ILE A 53 0.752 -5.765 8.033 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.612 -3.076 8.478 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.633 -4.869 10.571 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.593 -3.682 9.710 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.108 -4.318 9.991 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.240 -4.898 8.313 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.322 -5.841 9.512 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.811 -2.792 11.849 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.097 -1.882 10.496 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.877 -3.088 11.371 1.00 0.00 H new ATOM 869 N TRP A 54 -0.715 -3.883 5.744 1.00 0.00 N ATOM 870 CA TRP A 54 -1.592 -3.917 4.580 1.00 0.00 C ATOM 871 C TRP A 54 -1.063 -4.886 3.528 1.00 0.00 C ATOM 872 O TRP A 54 -1.832 -5.604 2.888 1.00 0.00 O ATOM 873 CB TRP A 54 -1.730 -2.518 3.978 1.00 0.00 C ATOM 874 CG TRP A 54 -2.749 -2.440 2.882 1.00 0.00 C ATOM 875 CD1 TRP A 54 -4.064 -2.095 3.008 1.00 0.00 C ATOM 876 CD2 TRP A 54 -2.535 -2.716 1.493 1.00 0.00 C ATOM 877 NE1 TRP A 54 -4.681 -2.140 1.781 1.00 0.00 N ATOM 878 CE2 TRP A 54 -3.765 -2.517 0.835 1.00 0.00 C ATOM 879 CE3 TRP A 54 -1.425 -3.109 0.741 1.00 0.00 C ATOM 880 CZ2 TRP A 54 -3.913 -2.699 -0.537 1.00 0.00 C ATOM 881 CZ3 TRP A 54 -1.573 -3.290 -0.621 1.00 0.00 C ATOM 882 CH2 TRP A 54 -2.809 -3.084 -1.249 1.00 0.00 C ATOM 0 H TRP A 54 -0.282 -2.976 5.919 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.573 -4.263 4.906 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -2.001 -1.816 4.767 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.763 -2.201 3.588 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.548 -1.826 3.935 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.663 -1.927 1.603 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.468 -3.269 1.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.865 -2.542 -1.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.722 -3.595 -1.212 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.892 -3.232 -2.316 1.00 0.00 H new ATOM 893 N PHE A 55 0.255 -4.902 3.354 1.00 0.00 N ATOM 894 CA PHE A 55 0.886 -5.782 2.378 1.00 0.00 C ATOM 895 C PHE A 55 0.801 -7.239 2.825 1.00 0.00 C ATOM 896 O PHE A 55 0.810 -8.152 2.000 1.00 0.00 O ATOM 897 CB PHE A 55 2.350 -5.385 2.173 1.00 0.00 C ATOM 898 CG PHE A 55 2.564 -4.468 1.004 1.00 0.00 C ATOM 899 CD1 PHE A 55 2.123 -3.155 1.046 1.00 0.00 C ATOM 900 CD2 PHE A 55 3.206 -4.918 -0.139 1.00 0.00 C ATOM 901 CE1 PHE A 55 2.319 -2.308 -0.029 1.00 0.00 C ATOM 902 CE2 PHE A 55 3.405 -4.076 -1.216 1.00 0.00 C ATOM 903 CZ PHE A 55 2.960 -2.770 -1.162 1.00 0.00 C ATOM 0 H PHE A 55 0.906 -4.316 3.876 1.00 0.00 H new ATOM 0 HA PHE A 55 0.352 -5.678 1.433 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.716 -4.899 3.077 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.946 -6.286 2.031 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.620 -2.789 1.929 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.555 -5.939 -0.188 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.971 -1.287 0.017 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.908 -4.439 -2.100 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.113 -2.111 -2.004 1.00 0.00 H new ATOM 913 N GLN A 56 0.717 -7.446 4.135 1.00 0.00 N ATOM 914 CA GLN A 56 0.631 -8.791 4.691 1.00 0.00 C ATOM 915 C GLN A 56 -0.799 -9.316 4.627 1.00 0.00 C ATOM 916 O GLN A 56 -1.045 -10.418 4.138 1.00 0.00 O ATOM 917 CB GLN A 56 1.126 -8.800 6.139 1.00 0.00 C ATOM 918 CG GLN A 56 2.638 -8.892 6.265 1.00 0.00 C ATOM 919 CD GLN A 56 3.171 -10.263 5.901 1.00 0.00 C ATOM 920 OE1 GLN A 56 2.406 -11.208 5.707 1.00 0.00 O ATOM 921 NE2 GLN A 56 4.491 -10.380 5.807 1.00 0.00 N ATOM 0 H GLN A 56 0.707 -6.700 4.831 1.00 0.00 H new ATOM 0 HA GLN A 56 1.266 -9.445 4.093 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.783 -7.893 6.637 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.674 -9.642 6.663 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.099 -8.144 5.620 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.929 -8.653 7.288 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.088 -9.570 5.976 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.907 -11.279 5.566 1.00 0.00 H new ATOM 930 N ASN A 57 -1.740 -8.520 5.124 1.00 0.00 N ATOM 931 CA ASN A 57 -3.146 -8.905 5.124 1.00 0.00 C ATOM 932 C ASN A 57 -3.650 -9.125 3.701 1.00 0.00 C ATOM 933 O ASN A 57 -4.597 -9.878 3.476 1.00 0.00 O ATOM 934 CB ASN A 57 -3.990 -7.833 5.816 1.00 0.00 C ATOM 935 CG ASN A 57 -4.161 -8.099 7.299 1.00 0.00 C ATOM 936 OD1 ASN A 57 -4.512 -9.206 7.706 1.00 0.00 O ATOM 937 ND2 ASN A 57 -3.913 -7.081 8.115 1.00 0.00 N ATOM 0 H ASN A 57 -1.554 -7.604 5.532 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.240 -9.842 5.673 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.521 -6.859 5.676 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.971 -7.785 5.343 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.011 -7.200 9.123 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.624 -6.180 7.733 1.00 0.00 H new ATOM 944 N ARG A 58 -3.009 -8.463 2.743 1.00 0.00 N ATOM 945 CA ARG A 58 -3.392 -8.585 1.342 1.00 0.00 C ATOM 946 C ARG A 58 -3.030 -9.964 0.798 1.00 0.00 C ATOM 947 O ARG A 58 -3.650 -10.451 -0.147 1.00 0.00 O ATOM 948 CB ARG A 58 -2.708 -7.500 0.508 1.00 0.00 C ATOM 949 CG ARG A 58 -3.306 -7.332 -0.879 1.00 0.00 C ATOM 950 CD ARG A 58 -4.775 -6.947 -0.810 1.00 0.00 C ATOM 951 NE ARG A 58 -5.015 -5.874 0.151 1.00 0.00 N ATOM 952 CZ ARG A 58 -6.206 -5.612 0.678 1.00 0.00 C ATOM 953 NH1 ARG A 58 -7.260 -6.342 0.338 1.00 0.00 N ATOM 954 NH2 ARG A 58 -6.345 -4.619 1.547 1.00 0.00 N ATOM 0 H ARG A 58 -2.222 -7.837 2.912 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.473 -8.459 1.274 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.772 -6.551 1.040 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.649 -7.741 0.411 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.754 -6.567 -1.424 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.198 -8.262 -1.438 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.114 -6.632 -1.797 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.366 -7.820 -0.534 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.225 -5.294 0.433 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.157 -7.106 -0.329 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -8.173 -6.139 0.744 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.537 -4.056 1.811 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.260 -4.419 1.951 1.00 0.00 H new ATOM 968 N ARG A 59 -2.023 -10.587 1.401 1.00 0.00 N ATOM 969 CA ARG A 59 -1.577 -11.908 0.976 1.00 0.00 C ATOM 970 C ARG A 59 -2.143 -12.992 1.889 1.00 0.00 C ATOM 971 O ARG A 59 -2.429 -14.105 1.447 1.00 0.00 O ATOM 972 CB ARG A 59 -0.049 -11.977 0.970 1.00 0.00 C ATOM 973 CG ARG A 59 0.566 -11.738 -0.399 1.00 0.00 C ATOM 974 CD ARG A 59 1.802 -12.597 -0.613 1.00 0.00 C ATOM 975 NE ARG A 59 2.034 -12.880 -2.027 1.00 0.00 N ATOM 976 CZ ARG A 59 1.291 -13.719 -2.740 1.00 0.00 C ATOM 977 NH1 ARG A 59 0.273 -14.353 -2.175 1.00 0.00 N ATOM 978 NH2 ARG A 59 1.565 -13.924 -4.022 1.00 0.00 N ATOM 0 H ARG A 59 -1.500 -10.198 2.186 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.945 -12.080 -0.036 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.342 -11.238 1.669 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.263 -12.956 1.333 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.170 -11.958 -1.173 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.831 -10.686 -0.501 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.673 -12.089 -0.197 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.690 -13.535 -0.069 1.00 0.00 H new ATOM 0 HE ARG A 59 2.809 -12.408 -2.492 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.058 -14.197 -1.190 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.296 -14.997 -2.725 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.347 -13.437 -4.461 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.994 -14.568 -4.569 1.00 0.00 H new ATOM 992 N VAL A 60 -2.300 -12.660 3.167 1.00 0.00 N ATOM 993 CA VAL A 60 -2.831 -13.604 4.142 1.00 0.00 C ATOM 994 C VAL A 60 -4.339 -13.768 3.985 1.00 0.00 C ATOM 995 O VAL A 60 -4.908 -14.786 4.376 1.00 0.00 O ATOM 996 CB VAL A 60 -2.523 -13.155 5.583 1.00 0.00 C ATOM 997 CG1 VAL A 60 -2.955 -14.220 6.579 1.00 0.00 C ATOM 998 CG2 VAL A 60 -1.043 -12.839 5.737 1.00 0.00 C ATOM 0 H VAL A 60 -2.067 -11.744 3.551 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.343 -14.560 3.954 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.089 -12.247 5.791 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.729 -13.885 7.591 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.027 -14.393 6.485 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.419 -15.147 6.376 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.843 -12.523 6.761 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.455 -13.729 5.510 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.769 -12.038 5.050 1.00 0.00 H new ATOM 1008 N LYS A 61 -4.981 -12.758 3.407 1.00 0.00 N ATOM 1009 CA LYS A 61 -6.423 -12.789 3.195 1.00 0.00 C ATOM 1010 C LYS A 61 -6.825 -14.008 2.371 1.00 0.00 C ATOM 1011 O LYS A 61 -7.660 -14.806 2.795 1.00 0.00 O ATOM 1012 CB LYS A 61 -6.883 -11.510 2.491 1.00 0.00 C ATOM 1013 CG LYS A 61 -8.346 -11.534 2.082 1.00 0.00 C ATOM 1014 CD LYS A 61 -8.779 -10.206 1.484 1.00 0.00 C ATOM 1015 CE LYS A 61 -10.255 -9.938 1.732 1.00 0.00 C ATOM 1016 NZ LYS A 61 -10.501 -9.406 3.101 1.00 0.00 N ATOM 0 H LYS A 61 -4.525 -11.908 3.077 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.907 -12.855 4.169 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.713 -10.660 3.152 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.269 -11.352 1.604 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.509 -12.331 1.357 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.964 -11.762 2.950 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.184 -9.401 1.915 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.584 -10.208 0.412 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.623 -9.225 0.994 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.819 -10.860 1.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.519 -9.237 3.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.173 -10.097 3.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.983 -8.513 3.225 1.00 0.00 H new ATOM 1030 N GLU A 62 -6.225 -14.145 1.193 1.00 0.00 N ATOM 1031 CA GLU A 62 -6.522 -15.267 0.311 1.00 0.00 C ATOM 1032 C GLU A 62 -6.288 -16.596 1.024 1.00 0.00 C ATOM 1033 O GLU A 62 -6.944 -17.596 0.731 1.00 0.00 O ATOM 1034 CB GLU A 62 -5.660 -15.195 -0.951 1.00 0.00 C ATOM 1035 CG GLU A 62 -4.172 -15.084 -0.667 1.00 0.00 C ATOM 1036 CD GLU A 62 -3.319 -15.471 -1.859 1.00 0.00 C ATOM 1037 OE1 GLU A 62 -3.354 -16.655 -2.255 1.00 0.00 O ATOM 1038 OE2 GLU A 62 -2.618 -14.589 -2.397 1.00 0.00 O ATOM 0 H GLU A 62 -5.531 -13.493 0.828 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.573 -15.205 0.029 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.840 -16.084 -1.555 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.973 -14.337 -1.546 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.937 -14.061 -0.374 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.919 -15.723 0.179 1.00 0.00 H new ATOM 1045 N LYS A 63 -5.347 -16.599 1.963 1.00 0.00 N ATOM 1046 CA LYS A 63 -5.025 -17.803 2.720 1.00 0.00 C ATOM 1047 C LYS A 63 -5.442 -17.655 4.180 1.00 0.00 C ATOM 1048 O LYS A 63 -4.753 -18.128 5.084 1.00 0.00 O ATOM 1049 CB LYS A 63 -3.526 -18.098 2.634 1.00 0.00 C ATOM 1050 CG LYS A 63 -2.663 -17.084 3.365 1.00 0.00 C ATOM 1051 CD LYS A 63 -1.856 -17.736 4.475 1.00 0.00 C ATOM 1052 CE LYS A 63 -0.426 -18.013 4.036 1.00 0.00 C ATOM 1053 NZ LYS A 63 -0.363 -19.063 2.982 1.00 0.00 N ATOM 0 H LYS A 63 -4.794 -15.781 2.218 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.578 -18.635 2.285 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.335 -19.089 3.046 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.229 -18.126 1.585 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.988 -16.602 2.658 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.296 -16.302 3.785 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.850 -17.087 5.351 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.333 -18.669 4.773 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.023 -17.094 3.660 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.164 -18.327 4.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.628 -19.223 2.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.768 -19.948 3.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.905 -18.753 2.150 1.00 0.00 H new ATOM 1067 N LYS A 64 -6.574 -16.998 4.403 1.00 0.00 N ATOM 1068 CA LYS A 64 -7.085 -16.790 5.753 1.00 0.00 C ATOM 1069 C LYS A 64 -8.180 -17.800 6.081 1.00 0.00 C ATOM 1070 O LYS A 64 -9.103 -18.008 5.293 1.00 0.00 O ATOM 1071 CB LYS A 64 -7.628 -15.367 5.901 1.00 0.00 C ATOM 1072 CG LYS A 64 -8.102 -15.040 7.307 1.00 0.00 C ATOM 1073 CD LYS A 64 -6.959 -14.549 8.180 1.00 0.00 C ATOM 1074 CE LYS A 64 -6.250 -15.703 8.871 1.00 0.00 C ATOM 1075 NZ LYS A 64 -5.676 -15.296 10.184 1.00 0.00 N ATOM 0 H LYS A 64 -7.156 -16.600 3.666 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.262 -16.933 6.453 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.850 -14.659 5.615 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.456 -15.229 5.206 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.880 -14.278 7.262 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.550 -15.926 7.757 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.246 -13.995 7.570 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.343 -13.856 8.929 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.952 -16.523 9.020 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.454 -16.078 8.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.201 -16.111 10.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.987 -14.531 10.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.438 -14.962 10.808 1.00 0.00 H new ATOM 1089 N SER A 65 -8.073 -18.424 7.250 1.00 0.00 N ATOM 1090 CA SER A 65 -9.052 -19.414 7.681 1.00 0.00 C ATOM 1091 C SER A 65 -9.652 -19.032 9.032 1.00 0.00 C ATOM 1092 O SER A 65 -8.931 -18.827 10.008 1.00 0.00 O ATOM 1093 CB SER A 65 -8.406 -20.797 7.770 1.00 0.00 C ATOM 1094 OG SER A 65 -9.119 -21.637 8.661 1.00 0.00 O ATOM 0 H SER A 65 -7.317 -18.261 7.916 1.00 0.00 H new ATOM 0 HA SER A 65 -9.853 -19.442 6.942 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.377 -21.253 6.780 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.374 -20.699 8.106 1.00 0.00 H new ATOM 0 HG SER A 65 -8.687 -22.516 8.699 1.00 0.00 H new ATOM 1100 N GLY A 66 -10.977 -18.939 9.079 1.00 0.00 N ATOM 1101 CA GLY A 66 -11.653 -18.582 10.313 1.00 0.00 C ATOM 1102 C GLY A 66 -12.009 -17.110 10.374 1.00 0.00 C ATOM 1103 O GLY A 66 -11.537 -16.301 9.575 1.00 0.00 O ATOM 0 H GLY A 66 -11.595 -19.104 8.285 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -12.561 -19.177 10.411 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.014 -18.834 11.160 1.00 0.00 H new ATOM 1107 N PRO A 67 -12.863 -16.744 11.341 1.00 0.00 N ATOM 1108 CA PRO A 67 -13.302 -15.358 11.526 1.00 0.00 C ATOM 1109 C PRO A 67 -12.183 -14.458 12.039 1.00 0.00 C ATOM 1110 O PRO A 67 -11.092 -14.930 12.361 1.00 0.00 O ATOM 1111 CB PRO A 67 -14.415 -15.474 12.570 1.00 0.00 C ATOM 1112 CG PRO A 67 -14.100 -16.721 13.323 1.00 0.00 C ATOM 1113 CD PRO A 67 -13.465 -17.655 12.329 1.00 0.00 C ATOM 0 HA PRO A 67 -13.624 -14.905 10.588 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -14.431 -14.607 13.230 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -15.396 -15.534 12.098 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.424 -16.516 14.153 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -15.003 -17.159 13.748 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.715 -18.291 12.798 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -14.201 -18.315 11.871 1.00 0.00 H new ATOM 1121 N SER A 68 -12.459 -13.160 12.113 1.00 0.00 N ATOM 1122 CA SER A 68 -11.474 -12.194 12.584 1.00 0.00 C ATOM 1123 C SER A 68 -11.107 -12.459 14.041 1.00 0.00 C ATOM 1124 O SER A 68 -11.979 -12.667 14.884 1.00 0.00 O ATOM 1125 CB SER A 68 -12.012 -10.770 12.432 1.00 0.00 C ATOM 1126 OG SER A 68 -10.956 -9.842 12.257 1.00 0.00 O ATOM 0 H SER A 68 -13.357 -12.753 11.853 1.00 0.00 H new ATOM 0 HA SER A 68 -10.576 -12.302 11.976 1.00 0.00 H new ATOM 0 HB2 SER A 68 -12.687 -10.722 11.578 1.00 0.00 H new ATOM 0 HB3 SER A 68 -12.594 -10.502 13.314 1.00 0.00 H new ATOM 0 HG SER A 68 -11.326 -8.940 12.160 1.00 0.00 H new ATOM 1132 N SER A 69 -9.809 -12.450 14.328 1.00 0.00 N ATOM 1133 CA SER A 69 -9.324 -12.693 15.682 1.00 0.00 C ATOM 1134 C SER A 69 -8.179 -11.745 16.027 1.00 0.00 C ATOM 1135 O SER A 69 -7.810 -10.883 15.231 1.00 0.00 O ATOM 1136 CB SER A 69 -8.862 -14.144 15.828 1.00 0.00 C ATOM 1137 OG SER A 69 -7.979 -14.506 14.780 1.00 0.00 O ATOM 0 H SER A 69 -9.075 -12.277 13.641 1.00 0.00 H new ATOM 0 HA SER A 69 -10.146 -12.510 16.374 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.364 -14.276 16.789 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.727 -14.807 15.824 1.00 0.00 H new ATOM 0 HG SER A 69 -7.697 -15.437 14.897 1.00 0.00 H new ATOM 1143 N GLY A 70 -7.621 -11.912 17.222 1.00 0.00 N ATOM 1144 CA GLY A 70 -6.524 -11.065 17.654 1.00 0.00 C ATOM 1145 C GLY A 70 -6.864 -9.590 17.573 1.00 0.00 C ATOM 1146 O GLY A 70 -6.647 -8.952 16.544 1.00 0.00 O ATOM 0 H GLY A 70 -7.909 -12.619 17.899 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.257 -11.317 18.680 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -5.648 -11.267 17.037 1.00 0.00 H new TER 1150 GLY A 70