USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 679 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 26 HIS : no HE2:sc= -15.2! C(o=-24!,f=-28!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 143:sc= -1.78 (180deg=-0.763) USER MOD Set 1.3: A 30 HIS : no HE2:sc= -7.13! C(o=-24!,f=-33!) USER MOD Set 2.1: A 12 MET CE :methyl 156:sc= -1.36 (180deg=-1.38) USER MOD Set 2.2: A 20 GLN : amide:sc= -1.81! C(o=-3.2!,f=-6.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= -0.196 (180deg=-0.196) USER MOD Single : A 2 LYS NZ :NH3+ -112:sc= -0.717 (180deg=-2.49!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 124:sc= 0.00321 (180deg=-0.0451) USER MOD Single : A 13 SER OG : rot 180:sc= 0.179 USER MOD Single : A 14 SER OG : rot -143:sc= -1.76 USER MOD Single : A 15 TYR OH : rot 178:sc= -2.12 USER MOD Single : A 21 THR OG1 : rot 103:sc= 1.27 USER MOD Single : A 22 SER OG : rot 99:sc= 1.25 USER MOD Single : A 27 LYS NZ :NH3+ 161:sc= -0.422 (180deg=-1.01) USER MOD Single : A 28 LYS NZ :NH3+ 157:sc= -0.0411 (180deg=-0.521) USER MOD Single : A 34 SER OG : rot -20:sc= 0.305 USER MOD Single : A 36 ASN : amide:sc= -1.65 X(o=-1.6,f=-1.8) USER MOD Single : A 38 SER OG : rot -30:sc= 0.731 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot 119:sc= -6.23! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -157:sc= -0.123 (180deg=-0.738) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -164:sc= -0.49 (180deg=-1.27) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 155:sc= -0.746 (180deg=-1.39) USER MOD Single : A 56 LYS NZ :NH3+ -152:sc= -3.86 (180deg=-4.67!) USER MOD Single : A 58 LYS NZ :NH3+ -150:sc= -0.216 (180deg=-1.04) USER MOD Single : A 62 MET CE :methyl -115:sc= -0.0812 (180deg=-0.631) USER MOD Single : A 64 LYS NZ :NH3+ -162:sc=-0.00958 (180deg=-0.182) USER MOD Single : A 67 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.26) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 168:sc= -0.28 (180deg=-0.509) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -40:sc= 0.817 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.172 USER MOD Single : A 81 LYS NZ :NH3+ 156:sc= -0.115 (180deg=-0.673) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.076 -16.507 19.414 1.00 0.00 N ATOM 2 CA GLY A 1 -12.736 -16.664 18.088 1.00 0.00 C ATOM 3 C GLY A 1 -12.074 -15.738 17.068 1.00 0.00 C ATOM 4 O GLY A 1 -12.478 -15.678 15.923 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.530 -17.139 20.105 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.068 -16.751 19.331 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.169 -15.522 19.733 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.662 -17.699 17.755 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.798 -16.430 18.170 1.00 0.00 H new ATOM 10 N LYS A 2 -11.067 -15.035 17.508 1.00 0.00 N ATOM 11 CA LYS A 2 -10.362 -14.108 16.590 1.00 0.00 C ATOM 12 C LYS A 2 -9.427 -14.868 15.657 1.00 0.00 C ATOM 13 O LYS A 2 -8.410 -14.349 15.237 1.00 0.00 O ATOM 14 CB LYS A 2 -9.533 -13.136 17.439 1.00 0.00 C ATOM 15 CG LYS A 2 -10.407 -12.585 18.570 1.00 0.00 C ATOM 16 CD LYS A 2 -9.730 -11.346 19.179 1.00 0.00 C ATOM 17 CE LYS A 2 -8.378 -11.742 19.805 1.00 0.00 C ATOM 18 NZ LYS A 2 -7.291 -11.688 18.785 1.00 0.00 N ATOM 0 H LYS A 2 -10.705 -15.065 18.461 1.00 0.00 H new ATOM 0 HA LYS A 2 -11.096 -13.578 15.984 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -8.662 -13.646 17.851 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.161 -12.320 16.820 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.394 -12.323 18.188 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.553 -13.347 19.336 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -9.577 -10.589 18.410 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -10.376 -10.903 19.937 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -8.143 -11.070 20.631 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -8.444 -12.747 20.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -6.951 -12.651 18.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -7.658 -11.265 17.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -6.505 -11.110 19.146 1.00 0.00 H new ATOM 32 N GLY A 3 -9.787 -16.087 15.349 1.00 0.00 N ATOM 33 CA GLY A 3 -8.929 -16.901 14.440 1.00 0.00 C ATOM 34 C GLY A 3 -9.164 -16.496 12.986 1.00 0.00 C ATOM 35 O GLY A 3 -8.759 -17.190 12.076 1.00 0.00 O ATOM 0 H GLY A 3 -10.631 -16.550 15.685 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -7.879 -16.762 14.698 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -9.152 -17.960 14.570 1.00 0.00 H new ATOM 39 N ASP A 4 -9.818 -15.370 12.805 1.00 0.00 N ATOM 40 CA ASP A 4 -10.102 -14.881 11.425 1.00 0.00 C ATOM 41 C ASP A 4 -10.709 -15.991 10.547 1.00 0.00 C ATOM 42 O ASP A 4 -10.128 -16.386 9.554 1.00 0.00 O ATOM 43 CB ASP A 4 -8.773 -14.417 10.796 1.00 0.00 C ATOM 44 CG ASP A 4 -8.052 -13.485 11.771 1.00 0.00 C ATOM 45 OD1 ASP A 4 -8.650 -12.472 12.091 1.00 0.00 O ATOM 46 OD2 ASP A 4 -6.946 -13.841 12.141 1.00 0.00 O ATOM 0 H ASP A 4 -10.165 -14.773 13.556 1.00 0.00 H new ATOM 0 HA ASP A 4 -10.821 -14.064 11.483 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -8.146 -15.278 10.566 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.963 -13.901 9.855 1.00 0.00 H new ATOM 51 N PRO A 5 -11.887 -16.478 10.930 1.00 0.00 N ATOM 52 CA PRO A 5 -12.547 -17.534 10.167 1.00 0.00 C ATOM 53 C PRO A 5 -12.932 -17.051 8.750 1.00 0.00 C ATOM 54 O PRO A 5 -13.940 -16.393 8.559 1.00 0.00 O ATOM 55 CB PRO A 5 -13.822 -17.899 11.007 1.00 0.00 C ATOM 56 CG PRO A 5 -13.906 -16.870 12.188 1.00 0.00 C ATOM 57 CD PRO A 5 -12.613 -16.011 12.134 1.00 0.00 C ATOM 0 HA PRO A 5 -11.894 -18.394 10.016 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -14.718 -17.849 10.388 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -13.754 -18.918 11.388 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -14.791 -16.241 12.090 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -13.986 -17.386 13.145 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -12.848 -14.949 12.065 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.012 -16.146 13.033 1.00 0.00 H new ATOM 65 N LYS A 6 -12.098 -17.388 7.794 1.00 0.00 N ATOM 66 CA LYS A 6 -12.365 -16.979 6.379 1.00 0.00 C ATOM 67 C LYS A 6 -12.726 -15.502 6.257 1.00 0.00 C ATOM 68 O LYS A 6 -13.328 -15.093 5.282 1.00 0.00 O ATOM 69 CB LYS A 6 -13.541 -17.810 5.857 1.00 0.00 C ATOM 70 CG LYS A 6 -13.277 -19.284 6.152 1.00 0.00 C ATOM 71 CD LYS A 6 -14.384 -20.130 5.524 1.00 0.00 C ATOM 72 CE LYS A 6 -13.987 -21.606 5.599 1.00 0.00 C ATOM 73 NZ LYS A 6 -15.155 -22.479 5.301 1.00 0.00 N ATOM 0 H LYS A 6 -11.244 -17.929 7.933 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.456 -17.147 5.802 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -14.468 -17.491 6.333 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -13.664 -17.657 4.785 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.307 -19.579 5.752 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -13.242 -19.451 7.229 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -15.326 -19.966 6.048 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -14.541 -19.835 4.487 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.184 -21.809 4.890 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.600 -21.834 6.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.866 -23.476 5.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -15.909 -22.298 5.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -15.507 -22.273 4.344 1.00 0.00 H new ATOM 87 N LYS A 7 -12.370 -14.728 7.238 1.00 0.00 N ATOM 88 CA LYS A 7 -12.697 -13.289 7.166 1.00 0.00 C ATOM 89 C LYS A 7 -12.046 -12.663 5.913 1.00 0.00 C ATOM 90 O LYS A 7 -11.041 -13.159 5.441 1.00 0.00 O ATOM 91 CB LYS A 7 -12.114 -12.603 8.426 1.00 0.00 C ATOM 92 CG LYS A 7 -13.079 -12.791 9.604 1.00 0.00 C ATOM 93 CD LYS A 7 -12.584 -11.965 10.823 1.00 0.00 C ATOM 94 CE LYS A 7 -13.151 -10.536 10.758 1.00 0.00 C ATOM 95 NZ LYS A 7 -12.307 -9.605 11.564 1.00 0.00 N ATOM 0 H LYS A 7 -11.872 -15.028 8.076 1.00 0.00 H new ATOM 0 HA LYS A 7 -13.777 -13.156 7.112 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -11.141 -13.030 8.668 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.958 -11.541 8.236 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -14.082 -12.472 9.320 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -13.143 -13.846 9.869 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.896 -12.447 11.750 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.495 -11.932 10.832 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -13.188 -10.199 9.722 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -14.174 -10.526 11.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.702 -8.644 11.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -12.293 -9.919 12.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.337 -9.602 11.188 1.00 0.00 H new ATOM 109 N PRO A 8 -12.638 -11.577 5.385 1.00 0.00 N ATOM 110 CA PRO A 8 -12.086 -10.916 4.201 1.00 0.00 C ATOM 111 C PRO A 8 -10.574 -10.670 4.358 1.00 0.00 C ATOM 112 O PRO A 8 -10.057 -10.653 5.457 1.00 0.00 O ATOM 113 CB PRO A 8 -12.869 -9.572 4.093 1.00 0.00 C ATOM 114 CG PRO A 8 -14.072 -9.665 5.098 1.00 0.00 C ATOM 115 CD PRO A 8 -13.876 -10.966 5.921 1.00 0.00 C ATOM 0 HA PRO A 8 -12.196 -11.524 3.303 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -12.224 -8.728 4.339 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -13.227 -9.414 3.076 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -14.095 -8.794 5.753 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -15.021 -9.687 4.562 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.780 -10.749 6.985 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -14.728 -11.637 5.808 1.00 0.00 H new ATOM 123 N ARG A 9 -9.908 -10.478 3.256 1.00 0.00 N ATOM 124 CA ARG A 9 -8.441 -10.237 3.315 1.00 0.00 C ATOM 125 C ARG A 9 -8.077 -9.050 4.187 1.00 0.00 C ATOM 126 O ARG A 9 -6.912 -8.759 4.371 1.00 0.00 O ATOM 127 CB ARG A 9 -7.930 -9.994 1.872 1.00 0.00 C ATOM 128 CG ARG A 9 -6.426 -10.317 1.784 1.00 0.00 C ATOM 129 CD ARG A 9 -6.028 -10.456 0.314 1.00 0.00 C ATOM 130 NE ARG A 9 -6.829 -11.548 -0.302 1.00 0.00 N ATOM 131 CZ ARG A 9 -6.680 -11.816 -1.568 1.00 0.00 C ATOM 132 NH1 ARG A 9 -5.823 -11.115 -2.263 1.00 0.00 N ATOM 133 NH2 ARG A 9 -7.391 -12.770 -2.098 1.00 0.00 N ATOM 0 H ARG A 9 -10.314 -10.477 2.320 1.00 0.00 H new ATOM 0 HA ARG A 9 -7.971 -11.113 3.761 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.486 -10.617 1.171 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -8.105 -8.957 1.585 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -5.844 -9.527 2.258 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.208 -11.240 2.321 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.201 -9.518 -0.214 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.964 -10.677 0.231 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.489 -12.082 0.262 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.286 -10.374 -1.813 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.691 -11.309 -3.256 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.051 -13.293 -1.523 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.287 -12.994 -3.088 1.00 0.00 H new ATOM 147 N GLY A 10 -9.053 -8.384 4.715 1.00 0.00 N ATOM 148 CA GLY A 10 -8.734 -7.229 5.570 1.00 0.00 C ATOM 149 C GLY A 10 -8.260 -6.066 4.715 1.00 0.00 C ATOM 150 O GLY A 10 -7.157 -6.082 4.201 1.00 0.00 O ATOM 0 H GLY A 10 -10.045 -8.587 4.593 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.614 -6.936 6.142 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.962 -7.501 6.290 1.00 0.00 H new ATOM 154 N LYS A 11 -9.117 -5.090 4.568 1.00 0.00 N ATOM 155 CA LYS A 11 -8.746 -3.899 3.746 1.00 0.00 C ATOM 156 C LYS A 11 -7.364 -3.358 4.141 1.00 0.00 C ATOM 157 O LYS A 11 -7.143 -2.936 5.256 1.00 0.00 O ATOM 158 CB LYS A 11 -9.833 -2.766 3.911 1.00 0.00 C ATOM 159 CG LYS A 11 -10.675 -2.969 5.189 1.00 0.00 C ATOM 160 CD LYS A 11 -9.787 -2.810 6.428 1.00 0.00 C ATOM 161 CE LYS A 11 -10.673 -2.646 7.665 1.00 0.00 C ATOM 162 NZ LYS A 11 -11.442 -3.893 7.918 1.00 0.00 N ATOM 0 H LYS A 11 -10.051 -5.065 4.978 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.704 -4.211 2.702 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.343 -1.793 3.948 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.488 -2.760 3.040 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.489 -2.244 5.218 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.131 -3.959 5.182 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.141 -3.681 6.541 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.136 -1.943 6.315 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.058 -2.408 8.533 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.358 -1.811 7.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.252 -4.228 8.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.459 -3.701 7.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.154 -4.623 7.235 1.00 0.00 H new ATOM 176 N MET A 12 -6.464 -3.398 3.205 1.00 0.00 N ATOM 177 CA MET A 12 -5.096 -2.905 3.479 1.00 0.00 C ATOM 178 C MET A 12 -5.072 -1.382 3.589 1.00 0.00 C ATOM 179 O MET A 12 -5.909 -0.701 3.029 1.00 0.00 O ATOM 180 CB MET A 12 -4.197 -3.336 2.292 1.00 0.00 C ATOM 181 CG MET A 12 -3.687 -4.763 2.523 1.00 0.00 C ATOM 182 SD MET A 12 -2.983 -5.625 1.101 1.00 0.00 S ATOM 183 CE MET A 12 -2.017 -4.236 0.467 1.00 0.00 C ATOM 0 H MET A 12 -6.619 -3.752 2.261 1.00 0.00 H new ATOM 0 HA MET A 12 -4.743 -3.320 4.423 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.760 -3.287 1.360 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.356 -2.650 2.193 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.930 -4.729 3.307 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.515 -5.360 2.905 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.188 -4.613 -0.132 1.00 0.00 H new ATOM 0 HE2 MET A 12 -2.653 -3.602 -0.151 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.626 -3.654 1.301 1.00 0.00 H new ATOM 193 N SER A 13 -4.106 -0.882 4.317 1.00 0.00 N ATOM 194 CA SER A 13 -3.998 0.587 4.483 1.00 0.00 C ATOM 195 C SER A 13 -3.378 1.199 3.234 1.00 0.00 C ATOM 196 O SER A 13 -3.053 0.498 2.305 1.00 0.00 O ATOM 197 CB SER A 13 -3.086 0.878 5.686 1.00 0.00 C ATOM 198 OG SER A 13 -1.917 0.111 5.433 1.00 0.00 O ATOM 0 H SER A 13 -3.393 -1.430 4.799 1.00 0.00 H new ATOM 0 HA SER A 13 -4.988 1.014 4.643 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.856 1.941 5.763 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.559 0.586 6.624 1.00 0.00 H new ATOM 0 HG SER A 13 -1.275 0.243 6.162 1.00 0.00 H new ATOM 204 N SER A 14 -3.212 2.489 3.233 1.00 0.00 N ATOM 205 CA SER A 14 -2.615 3.135 2.046 1.00 0.00 C ATOM 206 C SER A 14 -1.146 2.777 1.932 1.00 0.00 C ATOM 207 O SER A 14 -0.609 2.681 0.846 1.00 0.00 O ATOM 208 CB SER A 14 -2.754 4.655 2.209 1.00 0.00 C ATOM 209 OG SER A 14 -2.552 5.162 0.904 1.00 0.00 O ATOM 0 H SER A 14 -3.463 3.116 3.998 1.00 0.00 H new ATOM 0 HA SER A 14 -3.126 2.793 1.146 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.737 4.926 2.594 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.017 5.050 2.909 1.00 0.00 H new ATOM 0 HG SER A 14 -2.056 6.006 0.954 1.00 0.00 H new ATOM 215 N TYR A 15 -0.525 2.580 3.056 1.00 0.00 N ATOM 216 CA TYR A 15 0.904 2.226 3.032 1.00 0.00 C ATOM 217 C TYR A 15 1.050 0.802 2.564 1.00 0.00 C ATOM 218 O TYR A 15 1.801 0.510 1.661 1.00 0.00 O ATOM 219 CB TYR A 15 1.480 2.343 4.469 1.00 0.00 C ATOM 220 CG TYR A 15 2.844 1.621 4.552 1.00 0.00 C ATOM 221 CD1 TYR A 15 3.767 1.717 3.520 1.00 0.00 C ATOM 222 CD2 TYR A 15 3.147 0.832 5.642 1.00 0.00 C ATOM 223 CE1 TYR A 15 4.956 1.038 3.585 1.00 0.00 C ATOM 224 CE2 TYR A 15 4.343 0.155 5.697 1.00 0.00 C ATOM 225 CZ TYR A 15 5.252 0.252 4.669 1.00 0.00 C ATOM 226 OH TYR A 15 6.423 -0.444 4.714 1.00 0.00 O ATOM 0 H TYR A 15 -0.947 2.650 3.982 1.00 0.00 H new ATOM 0 HA TYR A 15 1.439 2.897 2.360 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.598 3.393 4.738 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.784 1.907 5.185 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.547 2.331 2.659 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.442 0.745 6.456 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.666 1.123 2.775 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.571 -0.459 6.556 1.00 0.00 H new ATOM 0 HH TYR A 15 6.487 -0.923 5.567 1.00 0.00 H new ATOM 236 N ALA A 16 0.335 -0.064 3.206 1.00 0.00 N ATOM 237 CA ALA A 16 0.404 -1.472 2.825 1.00 0.00 C ATOM 238 C ALA A 16 0.102 -1.629 1.343 1.00 0.00 C ATOM 239 O ALA A 16 0.583 -2.546 0.706 1.00 0.00 O ATOM 240 CB ALA A 16 -0.628 -2.242 3.652 1.00 0.00 C ATOM 0 H ALA A 16 -0.294 0.152 3.980 1.00 0.00 H new ATOM 0 HA ALA A 16 1.405 -1.861 3.013 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.594 -3.298 3.384 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.402 -2.129 4.712 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.624 -1.848 3.450 1.00 0.00 H new ATOM 246 N PHE A 17 -0.674 -0.715 0.804 1.00 0.00 N ATOM 247 CA PHE A 17 -0.997 -0.822 -0.638 1.00 0.00 C ATOM 248 C PHE A 17 0.245 -0.500 -1.436 1.00 0.00 C ATOM 249 O PHE A 17 0.481 -1.060 -2.489 1.00 0.00 O ATOM 250 CB PHE A 17 -2.138 0.201 -0.976 1.00 0.00 C ATOM 251 CG PHE A 17 -3.398 -0.544 -1.450 1.00 0.00 C ATOM 252 CD1 PHE A 17 -4.354 -0.966 -0.541 1.00 0.00 C ATOM 253 CD2 PHE A 17 -3.610 -0.774 -2.795 1.00 0.00 C ATOM 254 CE1 PHE A 17 -5.496 -1.598 -0.975 1.00 0.00 C ATOM 255 CE2 PHE A 17 -4.753 -1.408 -3.225 1.00 0.00 C ATOM 256 CZ PHE A 17 -5.696 -1.818 -2.315 1.00 0.00 C ATOM 0 H PHE A 17 -1.085 0.079 1.295 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.333 -1.829 -0.885 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.371 0.801 -0.096 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.801 0.890 -1.751 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.202 -0.798 0.515 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.872 -0.453 -3.516 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.237 -1.922 -0.260 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.909 -1.583 -4.279 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.594 -2.313 -2.653 1.00 0.00 H new ATOM 266 N PHE A 18 1.022 0.387 -0.904 1.00 0.00 N ATOM 267 CA PHE A 18 2.264 0.778 -1.598 1.00 0.00 C ATOM 268 C PHE A 18 3.320 -0.300 -1.391 1.00 0.00 C ATOM 269 O PHE A 18 4.300 -0.346 -2.106 1.00 0.00 O ATOM 270 CB PHE A 18 2.746 2.146 -1.023 1.00 0.00 C ATOM 271 CG PHE A 18 4.251 2.337 -1.260 1.00 0.00 C ATOM 272 CD1 PHE A 18 5.175 1.710 -0.443 1.00 0.00 C ATOM 273 CD2 PHE A 18 4.704 3.145 -2.289 1.00 0.00 C ATOM 274 CE1 PHE A 18 6.525 1.888 -0.652 1.00 0.00 C ATOM 275 CE2 PHE A 18 6.056 3.321 -2.493 1.00 0.00 C ATOM 276 CZ PHE A 18 6.964 2.692 -1.676 1.00 0.00 C ATOM 0 H PHE A 18 0.850 0.859 -0.016 1.00 0.00 H new ATOM 0 HA PHE A 18 2.088 0.883 -2.668 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.193 2.959 -1.494 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.533 2.192 0.045 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.836 1.077 0.364 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.994 3.640 -2.935 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.240 1.395 -0.010 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.402 3.954 -3.296 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.023 2.830 -1.839 1.00 0.00 H new ATOM 286 N VAL A 19 3.099 -1.164 -0.400 1.00 0.00 N ATOM 287 CA VAL A 19 4.081 -2.238 -0.147 1.00 0.00 C ATOM 288 C VAL A 19 3.868 -3.356 -1.101 1.00 0.00 C ATOM 289 O VAL A 19 4.799 -3.828 -1.677 1.00 0.00 O ATOM 290 CB VAL A 19 3.946 -2.773 1.304 1.00 0.00 C ATOM 291 CG1 VAL A 19 4.838 -4.026 1.473 1.00 0.00 C ATOM 292 CG2 VAL A 19 4.430 -1.693 2.277 1.00 0.00 C ATOM 0 H VAL A 19 2.289 -1.153 0.220 1.00 0.00 H new ATOM 0 HA VAL A 19 5.080 -1.825 -0.282 1.00 0.00 H new ATOM 0 HB VAL A 19 2.906 -3.028 1.506 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.745 -4.404 2.491 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.521 -4.796 0.770 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.877 -3.762 1.277 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.340 -2.058 3.300 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.473 -1.455 2.067 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.822 -0.796 2.157 1.00 0.00 H new ATOM 302 N GLN A 20 2.643 -3.783 -1.262 1.00 0.00 N ATOM 303 CA GLN A 20 2.428 -4.888 -2.209 1.00 0.00 C ATOM 304 C GLN A 20 2.869 -4.432 -3.568 1.00 0.00 C ATOM 305 O GLN A 20 3.209 -5.223 -4.425 1.00 0.00 O ATOM 306 CB GLN A 20 0.939 -5.283 -2.254 1.00 0.00 C ATOM 307 CG GLN A 20 0.090 -4.055 -2.552 1.00 0.00 C ATOM 308 CD GLN A 20 -1.353 -4.488 -2.839 1.00 0.00 C ATOM 309 OE1 GLN A 20 -2.295 -3.810 -2.486 1.00 0.00 O ATOM 310 NE2 GLN A 20 -1.569 -5.604 -3.481 1.00 0.00 N ATOM 0 H GLN A 20 1.814 -3.422 -0.791 1.00 0.00 H new ATOM 0 HA GLN A 20 3.001 -5.759 -1.891 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.778 -6.043 -3.019 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.640 -5.721 -1.302 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.114 -3.369 -1.705 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.497 -3.518 -3.409 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.783 -6.180 -3.781 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.524 -5.900 -3.682 1.00 0.00 H new ATOM 319 N THR A 21 2.856 -3.133 -3.734 1.00 0.00 N ATOM 320 CA THR A 21 3.272 -2.560 -5.023 1.00 0.00 C ATOM 321 C THR A 21 4.778 -2.552 -5.092 1.00 0.00 C ATOM 322 O THR A 21 5.355 -2.719 -6.151 1.00 0.00 O ATOM 323 CB THR A 21 2.740 -1.127 -5.106 1.00 0.00 C ATOM 324 OG1 THR A 21 1.336 -1.248 -5.021 1.00 0.00 O ATOM 325 CG2 THR A 21 2.980 -0.535 -6.493 1.00 0.00 C ATOM 0 H THR A 21 2.573 -2.456 -3.026 1.00 0.00 H new ATOM 0 HA THR A 21 2.879 -3.149 -5.852 1.00 0.00 H new ATOM 0 HB THR A 21 3.213 -0.514 -4.339 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.041 -1.004 -4.119 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.593 0.483 -6.526 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.049 -0.524 -6.704 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.469 -1.142 -7.241 1.00 0.00 H new ATOM 333 N SER A 22 5.399 -2.365 -3.946 1.00 0.00 N ATOM 334 CA SER A 22 6.885 -2.347 -3.909 1.00 0.00 C ATOM 335 C SER A 22 7.403 -3.771 -3.825 1.00 0.00 C ATOM 336 O SER A 22 8.547 -4.043 -4.121 1.00 0.00 O ATOM 337 CB SER A 22 7.336 -1.585 -2.656 1.00 0.00 C ATOM 338 OG SER A 22 6.882 -0.259 -2.875 1.00 0.00 O ATOM 0 H SER A 22 4.938 -2.226 -3.047 1.00 0.00 H new ATOM 0 HA SER A 22 7.271 -1.866 -4.807 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.901 -2.011 -1.752 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.419 -1.621 -2.536 1.00 0.00 H new ATOM 0 HG SER A 22 6.038 -0.119 -2.397 1.00 0.00 H new ATOM 344 N ARG A 23 6.527 -4.654 -3.427 1.00 0.00 N ATOM 345 CA ARG A 23 6.900 -6.080 -3.300 1.00 0.00 C ATOM 346 C ARG A 23 7.048 -6.724 -4.657 1.00 0.00 C ATOM 347 O ARG A 23 8.089 -7.258 -4.983 1.00 0.00 O ATOM 348 CB ARG A 23 5.788 -6.786 -2.515 1.00 0.00 C ATOM 349 CG ARG A 23 6.268 -8.170 -2.039 1.00 0.00 C ATOM 350 CD ARG A 23 5.436 -8.594 -0.822 1.00 0.00 C ATOM 351 NE ARG A 23 5.737 -10.015 -0.491 1.00 0.00 N ATOM 352 CZ ARG A 23 5.233 -10.968 -1.228 1.00 0.00 C ATOM 353 NH1 ARG A 23 4.474 -10.649 -2.241 1.00 0.00 N ATOM 354 NH2 ARG A 23 5.501 -12.208 -0.924 1.00 0.00 N ATOM 0 H ARG A 23 5.560 -4.439 -3.183 1.00 0.00 H new ATOM 0 HA ARG A 23 7.857 -6.164 -2.785 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.497 -6.179 -1.657 1.00 0.00 H new ATOM 0 HB3 ARG A 23 4.904 -6.896 -3.143 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.163 -8.901 -2.840 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.326 -8.133 -1.778 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.664 -7.954 0.030 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.373 -8.475 -1.034 1.00 0.00 H new ATOM 0 HE ARG A 23 6.332 -10.242 0.305 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.283 -9.668 -2.446 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.072 -11.380 -2.827 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.095 -12.420 -0.122 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.116 -12.966 -1.488 1.00 0.00 H new ATOM 368 N GLU A 24 6.007 -6.672 -5.423 1.00 0.00 N ATOM 369 CA GLU A 24 6.072 -7.279 -6.771 1.00 0.00 C ATOM 370 C GLU A 24 7.222 -6.665 -7.550 1.00 0.00 C ATOM 371 O GLU A 24 7.731 -7.250 -8.487 1.00 0.00 O ATOM 372 CB GLU A 24 4.754 -6.983 -7.506 1.00 0.00 C ATOM 373 CG GLU A 24 3.644 -7.851 -6.911 1.00 0.00 C ATOM 374 CD GLU A 24 2.357 -7.648 -7.714 1.00 0.00 C ATOM 375 OE1 GLU A 24 1.744 -6.613 -7.503 1.00 0.00 O ATOM 376 OE2 GLU A 24 2.058 -8.539 -8.493 1.00 0.00 O ATOM 0 H GLU A 24 5.117 -6.238 -5.178 1.00 0.00 H new ATOM 0 HA GLU A 24 6.226 -8.355 -6.686 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.499 -5.928 -7.410 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.863 -7.189 -8.571 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.937 -8.901 -6.931 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.480 -7.586 -5.866 1.00 0.00 H new ATOM 383 N GLU A 25 7.609 -5.478 -7.129 1.00 0.00 N ATOM 384 CA GLU A 25 8.720 -4.760 -7.794 1.00 0.00 C ATOM 385 C GLU A 25 10.067 -5.149 -7.176 1.00 0.00 C ATOM 386 O GLU A 25 11.094 -5.074 -7.819 1.00 0.00 O ATOM 387 CB GLU A 25 8.491 -3.253 -7.586 1.00 0.00 C ATOM 388 CG GLU A 25 7.335 -2.787 -8.481 1.00 0.00 C ATOM 389 CD GLU A 25 7.824 -2.677 -9.928 1.00 0.00 C ATOM 390 OE1 GLU A 25 8.694 -1.848 -10.144 1.00 0.00 O ATOM 391 OE2 GLU A 25 7.298 -3.424 -10.737 1.00 0.00 O ATOM 0 H GLU A 25 7.189 -4.982 -6.343 1.00 0.00 H new ATOM 0 HA GLU A 25 8.742 -5.018 -8.853 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.261 -3.049 -6.540 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.398 -2.699 -7.827 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.505 -3.491 -8.418 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.961 -1.823 -8.138 1.00 0.00 H new ATOM 398 N HIS A 26 10.027 -5.559 -5.935 1.00 0.00 N ATOM 399 CA HIS A 26 11.286 -5.964 -5.239 1.00 0.00 C ATOM 400 C HIS A 26 11.692 -7.370 -5.675 1.00 0.00 C ATOM 401 O HIS A 26 12.858 -7.653 -5.856 1.00 0.00 O ATOM 402 CB HIS A 26 11.005 -5.905 -3.695 1.00 0.00 C ATOM 403 CG HIS A 26 11.738 -7.012 -2.898 1.00 0.00 C ATOM 404 ND1 HIS A 26 12.752 -6.827 -2.186 1.00 0.00 N ATOM 405 CD2 HIS A 26 11.392 -8.336 -2.704 1.00 0.00 C ATOM 406 CE1 HIS A 26 13.081 -7.885 -1.559 1.00 0.00 C ATOM 407 NE2 HIS A 26 12.269 -8.906 -1.829 1.00 0.00 N ATOM 0 H HIS A 26 9.179 -5.631 -5.373 1.00 0.00 H new ATOM 0 HA HIS A 26 12.110 -5.296 -5.492 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.309 -4.930 -3.314 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.932 -5.993 -3.524 1.00 0.00 H new ATOM 0 HD1 HIS A 26 13.251 -5.940 -2.117 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.559 -8.840 -3.171 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.923 -7.948 -0.885 1.00 0.00 H new ATOM 415 N LYS A 27 10.719 -8.216 -5.865 1.00 0.00 N ATOM 416 CA LYS A 27 11.032 -9.600 -6.289 1.00 0.00 C ATOM 417 C LYS A 27 11.805 -9.606 -7.615 1.00 0.00 C ATOM 418 O LYS A 27 12.551 -10.523 -7.896 1.00 0.00 O ATOM 419 CB LYS A 27 9.709 -10.364 -6.499 1.00 0.00 C ATOM 420 CG LYS A 27 9.021 -10.585 -5.148 1.00 0.00 C ATOM 421 CD LYS A 27 7.605 -11.143 -5.376 1.00 0.00 C ATOM 422 CE LYS A 27 7.686 -12.502 -6.091 1.00 0.00 C ATOM 423 NZ LYS A 27 8.802 -13.324 -5.541 1.00 0.00 N ATOM 0 H LYS A 27 9.728 -8.007 -5.745 1.00 0.00 H new ATOM 0 HA LYS A 27 11.643 -10.070 -5.518 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.054 -9.801 -7.164 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.904 -11.323 -6.980 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.603 -11.279 -4.541 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.969 -9.646 -4.597 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.091 -11.255 -4.421 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.021 -10.443 -5.973 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.743 -13.036 -5.974 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.835 -12.347 -7.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.652 -14.323 -5.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.704 -12.999 -5.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.830 -13.224 -4.506 1.00 0.00 H new ATOM 437 N LYS A 28 11.605 -8.578 -8.405 1.00 0.00 N ATOM 438 CA LYS A 28 12.313 -8.501 -9.718 1.00 0.00 C ATOM 439 C LYS A 28 13.803 -8.225 -9.543 1.00 0.00 C ATOM 440 O LYS A 28 14.516 -8.034 -10.511 1.00 0.00 O ATOM 441 CB LYS A 28 11.695 -7.350 -10.530 1.00 0.00 C ATOM 442 CG LYS A 28 10.202 -7.638 -10.790 1.00 0.00 C ATOM 443 CD LYS A 28 10.052 -8.643 -11.948 1.00 0.00 C ATOM 444 CE LYS A 28 8.583 -8.701 -12.373 1.00 0.00 C ATOM 445 NZ LYS A 28 8.173 -7.418 -13.008 1.00 0.00 N ATOM 0 H LYS A 28 10.986 -7.795 -8.197 1.00 0.00 H new ATOM 0 HA LYS A 28 12.203 -9.459 -10.226 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.805 -6.411 -9.988 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.223 -7.236 -11.477 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.738 -8.038 -9.888 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.681 -6.711 -11.032 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.676 -8.342 -12.790 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.392 -9.630 -11.636 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.433 -9.524 -13.072 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.955 -8.901 -11.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.350 -7.582 -13.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.922 -6.730 -12.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.960 -7.045 -13.576 1.00 0.00 H new ATOM 459 N LYS A 29 14.238 -8.197 -8.313 1.00 0.00 N ATOM 460 CA LYS A 29 15.685 -7.934 -8.023 1.00 0.00 C ATOM 461 C LYS A 29 16.076 -8.611 -6.689 1.00 0.00 C ATOM 462 O LYS A 29 17.225 -8.601 -6.292 1.00 0.00 O ATOM 463 CB LYS A 29 15.880 -6.381 -7.962 1.00 0.00 C ATOM 464 CG LYS A 29 17.233 -6.021 -7.308 1.00 0.00 C ATOM 465 CD LYS A 29 17.610 -4.575 -7.669 1.00 0.00 C ATOM 466 CE LYS A 29 16.579 -3.607 -7.070 1.00 0.00 C ATOM 467 NZ LYS A 29 16.294 -3.947 -5.646 1.00 0.00 N ATOM 0 H LYS A 29 13.654 -8.345 -7.490 1.00 0.00 H new ATOM 0 HA LYS A 29 16.329 -8.348 -8.799 1.00 0.00 H new ATOM 0 HB2 LYS A 29 15.836 -5.965 -8.969 1.00 0.00 H new ATOM 0 HB3 LYS A 29 15.066 -5.930 -7.395 1.00 0.00 H new ATOM 0 HG2 LYS A 29 17.166 -6.131 -6.226 1.00 0.00 H new ATOM 0 HG3 LYS A 29 18.008 -6.706 -7.651 1.00 0.00 H new ATOM 0 HD2 LYS A 29 18.605 -4.343 -7.289 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.647 -4.458 -8.752 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.952 -2.585 -7.136 1.00 0.00 H new ATOM 0 HE3 LYS A 29 15.657 -3.648 -7.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 16.158 -3.072 -5.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.431 -4.525 -5.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.094 -4.481 -5.250 1.00 0.00 H new ATOM 481 N HIS A 30 15.080 -9.228 -6.052 1.00 0.00 N ATOM 482 CA HIS A 30 15.309 -9.936 -4.736 1.00 0.00 C ATOM 483 C HIS A 30 14.663 -11.335 -4.760 1.00 0.00 C ATOM 484 O HIS A 30 13.696 -11.583 -4.062 1.00 0.00 O ATOM 485 CB HIS A 30 14.608 -9.147 -3.618 1.00 0.00 C ATOM 486 CG HIS A 30 15.282 -7.791 -3.386 1.00 0.00 C ATOM 487 ND1 HIS A 30 15.737 -7.408 -2.289 1.00 0.00 N ATOM 488 CD2 HIS A 30 15.463 -6.736 -4.245 1.00 0.00 C ATOM 489 CE1 HIS A 30 16.180 -6.228 -2.357 1.00 0.00 C ATOM 490 NE2 HIS A 30 16.054 -5.709 -3.574 1.00 0.00 N ATOM 0 H HIS A 30 14.120 -9.267 -6.394 1.00 0.00 H new ATOM 0 HA HIS A 30 16.383 -10.013 -4.570 1.00 0.00 H new ATOM 0 HB2 HIS A 30 13.561 -8.995 -3.879 1.00 0.00 H new ATOM 0 HB3 HIS A 30 14.625 -9.727 -2.695 1.00 0.00 H new ATOM 0 HD1 HIS A 30 15.749 -7.977 -1.443 1.00 0.00 H new ATOM 0 HD2 HIS A 30 15.181 -6.722 -5.288 1.00 0.00 H new ATOM 0 HE1 HIS A 30 16.613 -5.700 -1.520 1.00 0.00 H new ATOM 498 N PRO A 31 15.200 -12.230 -5.573 1.00 0.00 N ATOM 499 CA PRO A 31 14.650 -13.576 -5.658 1.00 0.00 C ATOM 500 C PRO A 31 14.774 -14.297 -4.303 1.00 0.00 C ATOM 501 O PRO A 31 15.795 -14.875 -3.980 1.00 0.00 O ATOM 502 CB PRO A 31 15.489 -14.287 -6.774 1.00 0.00 C ATOM 503 CG PRO A 31 16.607 -13.280 -7.217 1.00 0.00 C ATOM 504 CD PRO A 31 16.359 -11.957 -6.442 1.00 0.00 C ATOM 0 HA PRO A 31 13.587 -13.578 -5.900 1.00 0.00 H new ATOM 0 HB2 PRO A 31 15.929 -15.210 -6.397 1.00 0.00 H new ATOM 0 HB3 PRO A 31 14.856 -14.557 -7.619 1.00 0.00 H new ATOM 0 HG2 PRO A 31 17.596 -13.679 -6.993 1.00 0.00 H new ATOM 0 HG3 PRO A 31 16.568 -13.110 -8.293 1.00 0.00 H new ATOM 0 HD2 PRO A 31 17.233 -11.674 -5.855 1.00 0.00 H new ATOM 0 HD3 PRO A 31 16.154 -11.133 -7.125 1.00 0.00 H new ATOM 512 N ASP A 32 13.728 -14.213 -3.527 1.00 0.00 N ATOM 513 CA ASP A 32 13.739 -14.873 -2.197 1.00 0.00 C ATOM 514 C ASP A 32 14.920 -14.379 -1.363 1.00 0.00 C ATOM 515 O ASP A 32 15.540 -15.137 -0.642 1.00 0.00 O ATOM 516 CB ASP A 32 13.854 -16.405 -2.410 1.00 0.00 C ATOM 517 CG ASP A 32 13.243 -17.138 -1.210 1.00 0.00 C ATOM 518 OD1 ASP A 32 13.315 -16.568 -0.134 1.00 0.00 O ATOM 519 OD2 ASP A 32 12.739 -18.225 -1.440 1.00 0.00 O ATOM 0 H ASP A 32 12.868 -13.716 -3.759 1.00 0.00 H new ATOM 0 HA ASP A 32 12.819 -14.632 -1.663 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.340 -16.695 -3.326 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.900 -16.688 -2.528 1.00 0.00 H new ATOM 524 N ALA A 33 15.207 -13.115 -1.481 1.00 0.00 N ATOM 525 CA ALA A 33 16.334 -12.545 -0.714 1.00 0.00 C ATOM 526 C ALA A 33 16.158 -12.792 0.779 1.00 0.00 C ATOM 527 O ALA A 33 16.804 -13.650 1.351 1.00 0.00 O ATOM 528 CB ALA A 33 16.362 -11.030 -0.962 1.00 0.00 C ATOM 0 H ALA A 33 14.707 -12.455 -2.077 1.00 0.00 H new ATOM 0 HA ALA A 33 17.261 -13.018 -1.037 1.00 0.00 H new ATOM 0 HB1 ALA A 33 17.187 -10.585 -0.405 1.00 0.00 H new ATOM 0 HB2 ALA A 33 16.497 -10.838 -2.026 1.00 0.00 H new ATOM 0 HB3 ALA A 33 15.422 -10.590 -0.630 1.00 0.00 H new ATOM 534 N SER A 34 15.279 -12.023 1.382 1.00 0.00 N ATOM 535 CA SER A 34 15.023 -12.173 2.844 1.00 0.00 C ATOM 536 C SER A 34 13.622 -11.705 3.176 1.00 0.00 C ATOM 537 O SER A 34 13.349 -11.275 4.280 1.00 0.00 O ATOM 538 CB SER A 34 16.015 -11.284 3.604 1.00 0.00 C ATOM 539 OG SER A 34 17.293 -11.763 3.211 1.00 0.00 O ATOM 0 H SER A 34 14.730 -11.298 0.920 1.00 0.00 H new ATOM 0 HA SER A 34 15.136 -13.220 3.125 1.00 0.00 H new ATOM 0 HB2 SER A 34 15.887 -10.233 3.343 1.00 0.00 H new ATOM 0 HB3 SER A 34 15.875 -11.364 4.682 1.00 0.00 H new ATOM 0 HG SER A 34 17.206 -12.670 2.851 1.00 0.00 H new ATOM 545 N VAL A 35 12.756 -11.788 2.214 1.00 0.00 N ATOM 546 CA VAL A 35 11.377 -11.355 2.453 1.00 0.00 C ATOM 547 C VAL A 35 10.675 -12.259 3.452 1.00 0.00 C ATOM 548 O VAL A 35 10.626 -13.461 3.277 1.00 0.00 O ATOM 549 CB VAL A 35 10.612 -11.405 1.128 1.00 0.00 C ATOM 550 CG1 VAL A 35 9.245 -10.760 1.327 1.00 0.00 C ATOM 551 CG2 VAL A 35 11.388 -10.626 0.064 1.00 0.00 C ATOM 0 H VAL A 35 12.951 -12.138 1.276 1.00 0.00 H new ATOM 0 HA VAL A 35 11.399 -10.344 2.859 1.00 0.00 H new ATOM 0 HB VAL A 35 10.494 -12.439 0.806 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.689 -10.789 0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.694 -11.305 2.093 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.374 -9.724 1.641 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.845 -10.660 -0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.499 -9.589 0.381 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.373 -11.073 -0.068 1.00 0.00 H new ATOM 561 N ASN A 36 10.142 -11.654 4.488 1.00 0.00 N ATOM 562 CA ASN A 36 9.428 -12.440 5.532 1.00 0.00 C ATOM 563 C ASN A 36 8.400 -11.561 6.237 1.00 0.00 C ATOM 564 O ASN A 36 7.955 -11.876 7.324 1.00 0.00 O ATOM 565 CB ASN A 36 10.460 -12.925 6.564 1.00 0.00 C ATOM 566 CG ASN A 36 11.405 -13.931 5.908 1.00 0.00 C ATOM 567 OD1 ASN A 36 11.069 -15.082 5.716 1.00 0.00 O ATOM 568 ND2 ASN A 36 12.596 -13.537 5.545 1.00 0.00 N ATOM 0 H ASN A 36 10.173 -10.648 4.651 1.00 0.00 H new ATOM 0 HA ASN A 36 8.918 -13.285 5.069 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.026 -12.079 6.953 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.953 -13.386 7.412 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.238 -14.195 5.103 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.884 -12.571 5.704 1.00 0.00 H new ATOM 575 N PHE A 37 8.041 -10.471 5.589 1.00 0.00 N ATOM 576 CA PHE A 37 7.043 -9.538 6.185 1.00 0.00 C ATOM 577 C PHE A 37 7.434 -9.195 7.622 1.00 0.00 C ATOM 578 O PHE A 37 6.608 -9.055 8.505 1.00 0.00 O ATOM 579 CB PHE A 37 5.645 -10.204 6.128 1.00 0.00 C ATOM 580 CG PHE A 37 5.113 -10.063 4.702 1.00 0.00 C ATOM 581 CD1 PHE A 37 5.443 -10.992 3.731 1.00 0.00 C ATOM 582 CD2 PHE A 37 4.344 -8.969 4.352 1.00 0.00 C ATOM 583 CE1 PHE A 37 5.016 -10.822 2.430 1.00 0.00 C ATOM 584 CE2 PHE A 37 3.920 -8.801 3.052 1.00 0.00 C ATOM 585 CZ PHE A 37 4.254 -9.726 2.091 1.00 0.00 C ATOM 0 H PHE A 37 8.400 -10.194 4.675 1.00 0.00 H new ATOM 0 HA PHE A 37 7.017 -8.606 5.620 1.00 0.00 H new ATOM 0 HB2 PHE A 37 5.712 -11.255 6.408 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.967 -9.728 6.837 1.00 0.00 H new ATOM 0 HD1 PHE A 37 6.038 -11.855 3.993 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.074 -8.241 5.103 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.280 -11.549 1.676 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.324 -7.940 2.787 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.920 -9.593 1.073 1.00 0.00 H new ATOM 595 N SER A 38 8.712 -9.069 7.807 1.00 0.00 N ATOM 596 CA SER A 38 9.262 -8.738 9.138 1.00 0.00 C ATOM 597 C SER A 38 10.613 -8.093 8.938 1.00 0.00 C ATOM 598 O SER A 38 11.311 -7.772 9.880 1.00 0.00 O ATOM 599 CB SER A 38 9.434 -10.034 9.941 1.00 0.00 C ATOM 600 OG SER A 38 9.845 -9.595 11.226 1.00 0.00 O ATOM 0 H SER A 38 9.412 -9.185 7.074 1.00 0.00 H new ATOM 0 HA SER A 38 8.595 -8.063 9.674 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.502 -10.598 9.992 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.178 -10.688 9.487 1.00 0.00 H new ATOM 0 HG SER A 38 10.350 -8.759 11.140 1.00 0.00 H new ATOM 606 N GLU A 39 10.947 -7.926 7.676 1.00 0.00 N ATOM 607 CA GLU A 39 12.239 -7.306 7.297 1.00 0.00 C ATOM 608 C GLU A 39 12.081 -6.549 5.990 1.00 0.00 C ATOM 609 O GLU A 39 12.821 -5.628 5.706 1.00 0.00 O ATOM 610 CB GLU A 39 13.268 -8.429 7.095 1.00 0.00 C ATOM 611 CG GLU A 39 13.549 -9.099 8.441 1.00 0.00 C ATOM 612 CD GLU A 39 14.814 -9.951 8.329 1.00 0.00 C ATOM 613 OE1 GLU A 39 14.712 -10.992 7.699 1.00 0.00 O ATOM 614 OE2 GLU A 39 15.810 -9.516 8.882 1.00 0.00 O ATOM 0 H GLU A 39 10.361 -8.202 6.888 1.00 0.00 H new ATOM 0 HA GLU A 39 12.563 -6.617 8.077 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.890 -9.162 6.382 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.190 -8.024 6.677 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.673 -8.344 9.217 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.703 -9.721 8.734 1.00 0.00 H new ATOM 621 N PHE A 40 11.104 -6.959 5.219 1.00 0.00 N ATOM 622 CA PHE A 40 10.852 -6.294 3.916 1.00 0.00 C ATOM 623 C PHE A 40 10.052 -5.012 4.101 1.00 0.00 C ATOM 624 O PHE A 40 10.476 -3.961 3.681 1.00 0.00 O ATOM 625 CB PHE A 40 10.057 -7.255 3.026 1.00 0.00 C ATOM 626 CG PHE A 40 9.820 -6.587 1.677 1.00 0.00 C ATOM 627 CD1 PHE A 40 10.890 -6.206 0.887 1.00 0.00 C ATOM 628 CD2 PHE A 40 8.535 -6.316 1.242 1.00 0.00 C ATOM 629 CE1 PHE A 40 10.681 -5.566 -0.304 1.00 0.00 C ATOM 630 CE2 PHE A 40 8.330 -5.677 0.046 1.00 0.00 C ATOM 631 CZ PHE A 40 9.402 -5.298 -0.728 1.00 0.00 C ATOM 0 H PHE A 40 10.472 -7.728 5.442 1.00 0.00 H new ATOM 0 HA PHE A 40 11.808 -6.039 3.459 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.604 -8.189 2.895 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.106 -7.506 3.496 1.00 0.00 H new ATOM 0 HD1 PHE A 40 11.898 -6.415 1.213 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.690 -6.609 1.847 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.523 -5.271 -0.912 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.324 -5.471 -0.289 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.239 -4.791 -1.667 1.00 0.00 H new ATOM 641 N SER A 41 8.877 -5.134 4.659 1.00 0.00 N ATOM 642 CA SER A 41 8.047 -3.928 4.877 1.00 0.00 C ATOM 643 C SER A 41 8.843 -2.889 5.638 1.00 0.00 C ATOM 644 O SER A 41 8.591 -1.724 5.524 1.00 0.00 O ATOM 645 CB SER A 41 6.810 -4.322 5.700 1.00 0.00 C ATOM 646 OG SER A 41 6.119 -5.242 4.865 1.00 0.00 O ATOM 0 H SER A 41 8.463 -6.013 4.969 1.00 0.00 H new ATOM 0 HA SER A 41 7.743 -3.513 3.916 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.091 -4.778 6.649 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.193 -3.454 5.934 1.00 0.00 H new ATOM 0 HG SER A 41 5.307 -5.550 5.319 1.00 0.00 H new ATOM 652 N LYS A 42 9.782 -3.329 6.428 1.00 0.00 N ATOM 653 CA LYS A 42 10.578 -2.344 7.177 1.00 0.00 C ATOM 654 C LYS A 42 11.271 -1.446 6.159 1.00 0.00 C ATOM 655 O LYS A 42 11.501 -0.274 6.385 1.00 0.00 O ATOM 656 CB LYS A 42 11.646 -3.095 8.016 1.00 0.00 C ATOM 657 CG LYS A 42 12.231 -2.145 9.121 1.00 0.00 C ATOM 658 CD LYS A 42 11.629 -2.494 10.495 1.00 0.00 C ATOM 659 CE LYS A 42 10.135 -2.167 10.492 1.00 0.00 C ATOM 660 NZ LYS A 42 9.592 -2.210 11.879 1.00 0.00 N ATOM 0 H LYS A 42 10.023 -4.309 6.580 1.00 0.00 H new ATOM 0 HA LYS A 42 9.948 -1.754 7.843 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.202 -3.975 8.480 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.448 -3.447 7.367 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.316 -2.241 9.156 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.011 -1.107 8.872 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.781 -3.551 10.713 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.134 -1.931 11.280 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.973 -1.179 10.062 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.601 -2.880 9.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.577 -1.986 11.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.730 -3.161 12.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.090 -1.513 12.469 1.00 0.00 H new ATOM 674 N LYS A 43 11.573 -2.050 5.037 1.00 0.00 N ATOM 675 CA LYS A 43 12.242 -1.333 3.947 1.00 0.00 C ATOM 676 C LYS A 43 11.232 -0.485 3.156 1.00 0.00 C ATOM 677 O LYS A 43 11.460 0.689 2.921 1.00 0.00 O ATOM 678 CB LYS A 43 12.876 -2.405 3.001 1.00 0.00 C ATOM 679 CG LYS A 43 14.286 -1.960 2.572 1.00 0.00 C ATOM 680 CD LYS A 43 15.300 -2.272 3.699 1.00 0.00 C ATOM 681 CE LYS A 43 15.799 -3.727 3.574 1.00 0.00 C ATOM 682 NZ LYS A 43 16.296 -4.216 4.891 1.00 0.00 N ATOM 0 H LYS A 43 11.373 -3.031 4.842 1.00 0.00 H new ATOM 0 HA LYS A 43 13.002 -0.664 4.351 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.929 -3.367 3.511 1.00 0.00 H new ATOM 0 HB3 LYS A 43 12.246 -2.544 2.122 1.00 0.00 H new ATOM 0 HG2 LYS A 43 14.577 -2.474 1.656 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.289 -0.892 2.353 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.143 -1.584 3.641 1.00 0.00 H new ATOM 0 HD3 LYS A 43 14.832 -2.122 4.672 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.990 -4.367 3.222 1.00 0.00 H new ATOM 0 HE3 LYS A 43 16.596 -3.783 2.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 16.629 -5.196 4.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 17.081 -3.614 5.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 15.525 -4.180 5.588 1.00 0.00 H new ATOM 696 N CYS A 44 10.129 -1.093 2.757 1.00 0.00 N ATOM 697 CA CYS A 44 9.138 -0.326 1.999 1.00 0.00 C ATOM 698 C CYS A 44 8.673 0.861 2.815 1.00 0.00 C ATOM 699 O CYS A 44 8.343 1.901 2.285 1.00 0.00 O ATOM 700 CB CYS A 44 7.961 -1.244 1.698 1.00 0.00 C ATOM 701 SG CYS A 44 8.335 -2.863 0.984 1.00 0.00 S ATOM 0 H CYS A 44 9.896 -2.071 2.931 1.00 0.00 H new ATOM 0 HA CYS A 44 9.574 0.044 1.071 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.411 -1.403 2.626 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.291 -0.721 1.016 1.00 0.00 H new ATOM 0 HG CYS A 44 7.920 -3.798 1.786 1.00 0.00 H new ATOM 707 N SER A 45 8.654 0.677 4.093 1.00 0.00 N ATOM 708 CA SER A 45 8.219 1.785 4.979 1.00 0.00 C ATOM 709 C SER A 45 9.145 2.970 4.786 1.00 0.00 C ATOM 710 O SER A 45 8.706 4.092 4.627 1.00 0.00 O ATOM 711 CB SER A 45 8.307 1.318 6.444 1.00 0.00 C ATOM 712 OG SER A 45 8.218 2.518 7.199 1.00 0.00 O ATOM 0 H SER A 45 8.919 -0.187 4.566 1.00 0.00 H new ATOM 0 HA SER A 45 7.195 2.071 4.737 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.498 0.631 6.692 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.242 0.793 6.639 1.00 0.00 H new ATOM 0 HG SER A 45 8.265 2.307 8.155 1.00 0.00 H new ATOM 718 N GLU A 46 10.424 2.695 4.808 1.00 0.00 N ATOM 719 CA GLU A 46 11.405 3.786 4.626 1.00 0.00 C ATOM 720 C GLU A 46 11.319 4.331 3.203 1.00 0.00 C ATOM 721 O GLU A 46 11.924 5.335 2.884 1.00 0.00 O ATOM 722 CB GLU A 46 12.822 3.207 4.866 1.00 0.00 C ATOM 723 CG GLU A 46 13.799 4.347 5.174 1.00 0.00 C ATOM 724 CD GLU A 46 15.133 3.759 5.641 1.00 0.00 C ATOM 725 OE1 GLU A 46 15.367 2.610 5.303 1.00 0.00 O ATOM 726 OE2 GLU A 46 15.843 4.492 6.309 1.00 0.00 O ATOM 0 H GLU A 46 10.822 1.766 4.944 1.00 0.00 H new ATOM 0 HA GLU A 46 11.196 4.594 5.327 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.801 2.499 5.695 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.155 2.657 3.986 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.950 4.961 4.286 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.385 4.997 5.945 1.00 0.00 H new ATOM 733 N ARG A 47 10.551 3.632 2.376 1.00 0.00 N ATOM 734 CA ARG A 47 10.365 4.038 0.948 1.00 0.00 C ATOM 735 C ARG A 47 8.999 4.712 0.750 1.00 0.00 C ATOM 736 O ARG A 47 8.743 5.309 -0.280 1.00 0.00 O ATOM 737 CB ARG A 47 10.423 2.750 0.092 1.00 0.00 C ATOM 738 CG ARG A 47 10.846 3.096 -1.340 1.00 0.00 C ATOM 739 CD ARG A 47 10.871 1.807 -2.186 1.00 0.00 C ATOM 740 NE ARG A 47 10.647 2.155 -3.613 1.00 0.00 N ATOM 741 CZ ARG A 47 10.343 1.208 -4.463 1.00 0.00 C ATOM 742 NH1 ARG A 47 10.241 -0.021 -4.029 1.00 0.00 N ATOM 743 NH2 ARG A 47 10.162 1.519 -5.715 1.00 0.00 N ATOM 0 H ARG A 47 10.044 2.789 2.645 1.00 0.00 H new ATOM 0 HA ARG A 47 11.141 4.747 0.658 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.129 2.044 0.529 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.448 2.263 0.085 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.152 3.816 -1.773 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.831 3.563 -1.338 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.828 1.299 -2.069 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.100 1.117 -1.842 1.00 0.00 H new ATOM 0 HE ARG A 47 10.729 3.122 -3.927 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.398 -0.228 -3.043 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.005 -0.773 -4.677 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.258 2.488 -6.019 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.924 0.794 -6.392 1.00 0.00 H new ATOM 757 N TRP A 48 8.164 4.595 1.765 1.00 0.00 N ATOM 758 CA TRP A 48 6.787 5.200 1.728 1.00 0.00 C ATOM 759 C TRP A 48 6.721 6.460 2.599 1.00 0.00 C ATOM 760 O TRP A 48 6.394 7.531 2.123 1.00 0.00 O ATOM 761 CB TRP A 48 5.843 4.106 2.281 1.00 0.00 C ATOM 762 CG TRP A 48 4.575 4.691 2.908 1.00 0.00 C ATOM 763 CD1 TRP A 48 4.428 4.885 4.201 1.00 0.00 C ATOM 764 CD2 TRP A 48 3.448 4.894 2.269 1.00 0.00 C ATOM 765 NE1 TRP A 48 3.129 5.205 4.334 1.00 0.00 N ATOM 766 CE2 TRP A 48 2.432 5.229 3.144 1.00 0.00 C ATOM 767 CE3 TRP A 48 3.187 4.808 0.920 1.00 0.00 C ATOM 768 CZ2 TRP A 48 1.159 5.460 2.673 1.00 0.00 C ATOM 769 CZ3 TRP A 48 1.906 5.048 0.448 1.00 0.00 C ATOM 770 CH2 TRP A 48 0.896 5.370 1.330 1.00 0.00 C ATOM 0 H TRP A 48 8.383 4.099 2.629 1.00 0.00 H new ATOM 0 HA TRP A 48 6.509 5.505 0.719 1.00 0.00 H new ATOM 0 HB2 TRP A 48 5.566 3.427 1.474 1.00 0.00 H new ATOM 0 HB3 TRP A 48 6.374 3.515 3.027 1.00 0.00 H new ATOM 0 HD1 TRP A 48 5.177 4.806 4.975 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.697 5.412 5.235 1.00 0.00 H new ATOM 0 HE3 TRP A 48 3.979 4.554 0.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 0.367 5.712 3.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.699 4.983 -0.610 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.103 5.552 0.963 1.00 0.00 H new ATOM 781 N LYS A 49 7.022 6.291 3.850 1.00 0.00 N ATOM 782 CA LYS A 49 6.994 7.460 4.801 1.00 0.00 C ATOM 783 C LYS A 49 7.770 8.650 4.235 1.00 0.00 C ATOM 784 O LYS A 49 7.626 9.770 4.684 1.00 0.00 O ATOM 785 CB LYS A 49 7.695 7.046 6.111 1.00 0.00 C ATOM 786 CG LYS A 49 6.876 5.977 6.845 1.00 0.00 C ATOM 787 CD LYS A 49 7.364 5.887 8.301 1.00 0.00 C ATOM 788 CE LYS A 49 6.497 4.885 9.066 1.00 0.00 C ATOM 789 NZ LYS A 49 5.071 5.305 9.038 1.00 0.00 N ATOM 0 H LYS A 49 7.288 5.399 4.268 1.00 0.00 H new ATOM 0 HA LYS A 49 5.954 7.742 4.962 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.691 6.662 5.891 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.824 7.918 6.753 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.816 6.230 6.818 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.986 5.012 6.350 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.408 5.576 8.328 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.311 6.867 8.775 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.599 3.894 8.624 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.841 4.811 10.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.567 4.878 9.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.013 6.341 9.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.634 4.990 8.149 1.00 0.00 H new ATOM 803 N THR A 50 8.576 8.368 3.261 1.00 0.00 N ATOM 804 CA THR A 50 9.393 9.427 2.622 1.00 0.00 C ATOM 805 C THR A 50 8.599 10.247 1.616 1.00 0.00 C ATOM 806 O THR A 50 8.790 11.443 1.499 1.00 0.00 O ATOM 807 CB THR A 50 10.547 8.716 1.895 1.00 0.00 C ATOM 808 OG1 THR A 50 10.875 9.515 0.768 1.00 0.00 O ATOM 809 CG2 THR A 50 10.048 7.392 1.309 1.00 0.00 C ATOM 0 H THR A 50 8.707 7.434 2.873 1.00 0.00 H new ATOM 0 HA THR A 50 9.744 10.120 3.386 1.00 0.00 H new ATOM 0 HB THR A 50 11.376 8.559 2.585 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.611 9.097 0.274 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.867 6.890 0.794 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.679 6.754 2.113 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.242 7.588 0.602 1.00 0.00 H new ATOM 817 N MET A 51 7.739 9.598 0.900 1.00 0.00 N ATOM 818 CA MET A 51 6.936 10.332 -0.098 1.00 0.00 C ATOM 819 C MET A 51 6.078 11.408 0.553 1.00 0.00 C ATOM 820 O MET A 51 6.132 11.604 1.754 1.00 0.00 O ATOM 821 CB MET A 51 6.021 9.333 -0.825 1.00 0.00 C ATOM 822 CG MET A 51 6.853 8.144 -1.317 1.00 0.00 C ATOM 823 SD MET A 51 6.085 7.035 -2.528 1.00 0.00 S ATOM 824 CE MET A 51 4.566 6.700 -1.605 1.00 0.00 C ATOM 0 H MET A 51 7.558 8.596 0.962 1.00 0.00 H new ATOM 0 HA MET A 51 7.617 10.819 -0.796 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.235 8.988 -0.153 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.529 9.820 -1.667 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.773 8.534 -1.753 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.138 7.550 -0.449 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.070 5.825 -2.025 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.810 6.512 -0.559 1.00 0.00 H new ATOM 0 HE3 MET A 51 3.901 7.561 -1.673 1.00 0.00 H new ATOM 834 N SER A 52 5.298 12.086 -0.274 1.00 0.00 N ATOM 835 CA SER A 52 4.393 13.179 0.230 1.00 0.00 C ATOM 836 C SER A 52 2.944 12.746 0.130 1.00 0.00 C ATOM 837 O SER A 52 2.619 11.861 -0.637 1.00 0.00 O ATOM 838 CB SER A 52 4.597 14.412 -0.664 1.00 0.00 C ATOM 839 OG SER A 52 5.888 14.885 -0.314 1.00 0.00 O ATOM 0 H SER A 52 5.252 11.926 -1.280 1.00 0.00 H new ATOM 0 HA SER A 52 4.629 13.401 1.271 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.541 14.151 -1.721 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.833 15.167 -0.481 1.00 0.00 H new ATOM 0 HG SER A 52 6.101 15.680 -0.846 1.00 0.00 H new ATOM 845 N ALA A 53 2.099 13.369 0.920 1.00 0.00 N ATOM 846 CA ALA A 53 0.658 13.008 0.889 1.00 0.00 C ATOM 847 C ALA A 53 0.129 12.960 -0.533 1.00 0.00 C ATOM 848 O ALA A 53 -0.858 12.311 -0.806 1.00 0.00 O ATOM 849 CB ALA A 53 -0.124 14.061 1.662 1.00 0.00 C ATOM 0 H ALA A 53 2.350 14.106 1.579 1.00 0.00 H new ATOM 0 HA ALA A 53 0.540 12.021 1.335 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.185 13.810 1.648 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.228 14.092 2.693 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.024 15.037 1.199 1.00 0.00 H new ATOM 855 N LYS A 54 0.784 13.658 -1.416 1.00 0.00 N ATOM 856 CA LYS A 54 0.322 13.648 -2.816 1.00 0.00 C ATOM 857 C LYS A 54 0.361 12.224 -3.341 1.00 0.00 C ATOM 858 O LYS A 54 -0.630 11.693 -3.815 1.00 0.00 O ATOM 859 CB LYS A 54 1.273 14.518 -3.654 1.00 0.00 C ATOM 860 CG LYS A 54 1.207 15.963 -3.156 1.00 0.00 C ATOM 861 CD LYS A 54 2.400 16.748 -3.712 1.00 0.00 C ATOM 862 CE LYS A 54 2.370 16.698 -5.246 1.00 0.00 C ATOM 863 NZ LYS A 54 0.982 16.887 -5.751 1.00 0.00 N ATOM 0 H LYS A 54 1.609 14.227 -1.226 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.695 14.036 -2.878 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.293 14.141 -3.577 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.995 14.471 -4.707 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.273 16.426 -3.473 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.219 15.985 -2.066 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.361 17.782 -3.370 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.333 16.324 -3.341 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.019 17.473 -5.653 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.761 15.741 -5.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.013 17.267 -6.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.486 15.973 -5.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.476 17.553 -5.134 1.00 0.00 H new ATOM 877 N GLU A 55 1.514 11.618 -3.228 1.00 0.00 N ATOM 878 CA GLU A 55 1.647 10.233 -3.708 1.00 0.00 C ATOM 879 C GLU A 55 0.860 9.292 -2.818 1.00 0.00 C ATOM 880 O GLU A 55 0.094 8.476 -3.295 1.00 0.00 O ATOM 881 CB GLU A 55 3.124 9.840 -3.650 1.00 0.00 C ATOM 882 CG GLU A 55 3.943 10.821 -4.490 1.00 0.00 C ATOM 883 CD GLU A 55 3.557 10.664 -5.962 1.00 0.00 C ATOM 884 OE1 GLU A 55 4.105 9.758 -6.570 1.00 0.00 O ATOM 885 OE2 GLU A 55 2.736 11.455 -6.394 1.00 0.00 O ATOM 0 H GLU A 55 2.357 12.028 -2.826 1.00 0.00 H new ATOM 0 HA GLU A 55 1.266 10.165 -4.727 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.474 9.848 -2.618 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.257 8.825 -4.024 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.759 11.843 -4.160 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.008 10.631 -4.358 1.00 0.00 H new ATOM 892 N LYS A 56 1.041 9.430 -1.528 1.00 0.00 N ATOM 893 CA LYS A 56 0.303 8.543 -0.617 1.00 0.00 C ATOM 894 C LYS A 56 -1.175 8.873 -0.686 1.00 0.00 C ATOM 895 O LYS A 56 -1.997 8.227 -0.068 1.00 0.00 O ATOM 896 CB LYS A 56 0.807 8.762 0.815 1.00 0.00 C ATOM 897 CG LYS A 56 2.350 8.678 0.830 1.00 0.00 C ATOM 898 CD LYS A 56 2.875 8.538 2.314 1.00 0.00 C ATOM 899 CE LYS A 56 3.850 9.674 2.646 1.00 0.00 C ATOM 900 NZ LYS A 56 3.230 11.004 2.369 1.00 0.00 N ATOM 0 H LYS A 56 1.659 10.110 -1.085 1.00 0.00 H new ATOM 0 HA LYS A 56 0.459 7.504 -0.906 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.480 9.735 1.183 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.384 8.010 1.481 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.681 7.825 0.238 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.774 9.570 0.369 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.034 8.558 3.007 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.371 7.576 2.442 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.141 9.615 3.695 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.760 9.562 2.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.974 11.692 2.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.572 10.920 1.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.711 11.327 3.210 1.00 0.00 H new ATOM 914 N GLY A 57 -1.478 9.892 -1.448 1.00 0.00 N ATOM 915 CA GLY A 57 -2.894 10.315 -1.600 1.00 0.00 C ATOM 916 C GLY A 57 -3.598 9.407 -2.607 1.00 0.00 C ATOM 917 O GLY A 57 -4.736 9.025 -2.424 1.00 0.00 O ATOM 0 H GLY A 57 -0.801 10.448 -1.971 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.403 10.269 -0.637 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.940 11.351 -1.936 1.00 0.00 H new ATOM 921 N LYS A 58 -2.901 9.088 -3.664 1.00 0.00 N ATOM 922 CA LYS A 58 -3.494 8.211 -4.692 1.00 0.00 C ATOM 923 C LYS A 58 -3.563 6.776 -4.149 1.00 0.00 C ATOM 924 O LYS A 58 -4.399 5.984 -4.548 1.00 0.00 O ATOM 925 CB LYS A 58 -2.578 8.341 -5.967 1.00 0.00 C ATOM 926 CG LYS A 58 -2.356 6.991 -6.700 1.00 0.00 C ATOM 927 CD LYS A 58 -1.173 6.223 -6.054 1.00 0.00 C ATOM 928 CE LYS A 58 0.152 6.692 -6.679 1.00 0.00 C ATOM 929 NZ LYS A 58 0.180 6.387 -8.134 1.00 0.00 N ATOM 0 H LYS A 58 -1.949 9.400 -3.853 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.514 8.491 -4.954 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.028 9.053 -6.659 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.612 8.750 -5.672 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.262 6.388 -6.650 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.150 7.171 -7.755 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.160 6.395 -4.978 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.298 5.151 -6.204 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.274 7.764 -6.524 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.989 6.201 -6.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.161 6.220 -8.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.389 5.537 -8.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.213 7.190 -8.665 1.00 0.00 H new ATOM 943 N PHE A 59 -2.718 6.503 -3.197 1.00 0.00 N ATOM 944 CA PHE A 59 -2.693 5.145 -2.593 1.00 0.00 C ATOM 945 C PHE A 59 -3.788 5.080 -1.563 1.00 0.00 C ATOM 946 O PHE A 59 -4.305 4.027 -1.249 1.00 0.00 O ATOM 947 CB PHE A 59 -1.329 4.926 -1.895 1.00 0.00 C ATOM 948 CG PHE A 59 -0.290 4.450 -2.921 1.00 0.00 C ATOM 949 CD1 PHE A 59 -0.433 3.226 -3.539 1.00 0.00 C ATOM 950 CD2 PHE A 59 0.808 5.235 -3.235 1.00 0.00 C ATOM 951 CE1 PHE A 59 0.499 2.793 -4.455 1.00 0.00 C ATOM 952 CE2 PHE A 59 1.738 4.800 -4.152 1.00 0.00 C ATOM 953 CZ PHE A 59 1.584 3.579 -4.762 1.00 0.00 C ATOM 0 H PHE A 59 -2.043 7.163 -2.811 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.836 4.381 -3.357 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.995 5.853 -1.429 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.432 4.189 -1.099 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.282 2.602 -3.303 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.935 6.195 -2.757 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.377 1.833 -4.934 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.590 5.419 -4.392 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.314 3.237 -5.481 1.00 0.00 H new ATOM 963 N GLU A 60 -4.119 6.234 -1.055 1.00 0.00 N ATOM 964 CA GLU A 60 -5.175 6.313 -0.041 1.00 0.00 C ATOM 965 C GLU A 60 -6.489 6.085 -0.737 1.00 0.00 C ATOM 966 O GLU A 60 -7.462 5.668 -0.143 1.00 0.00 O ATOM 967 CB GLU A 60 -5.135 7.748 0.576 1.00 0.00 C ATOM 968 CG GLU A 60 -4.568 7.703 2.005 1.00 0.00 C ATOM 969 CD GLU A 60 -5.553 6.977 2.933 1.00 0.00 C ATOM 970 OE1 GLU A 60 -6.568 6.535 2.417 1.00 0.00 O ATOM 971 OE2 GLU A 60 -5.233 6.908 4.109 1.00 0.00 O ATOM 0 H GLU A 60 -3.693 7.125 -1.309 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.042 5.572 0.748 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.521 8.400 -0.045 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.139 8.173 0.590 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.606 7.191 2.008 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.391 8.715 2.368 1.00 0.00 H new ATOM 978 N ASP A 61 -6.479 6.370 -2.005 1.00 0.00 N ATOM 979 CA ASP A 61 -7.702 6.189 -2.803 1.00 0.00 C ATOM 980 C ASP A 61 -7.883 4.719 -3.101 1.00 0.00 C ATOM 981 O ASP A 61 -8.991 4.237 -3.219 1.00 0.00 O ATOM 982 CB ASP A 61 -7.537 6.968 -4.114 1.00 0.00 C ATOM 983 CG ASP A 61 -8.901 7.122 -4.790 1.00 0.00 C ATOM 984 OD1 ASP A 61 -9.605 8.031 -4.384 1.00 0.00 O ATOM 985 OD2 ASP A 61 -9.161 6.321 -5.672 1.00 0.00 O ATOM 0 H ASP A 61 -5.671 6.721 -2.519 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.574 6.553 -2.260 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.105 7.949 -3.915 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.848 6.444 -4.776 1.00 0.00 H new ATOM 990 N MET A 62 -6.780 4.025 -3.244 1.00 0.00 N ATOM 991 CA MET A 62 -6.870 2.590 -3.529 1.00 0.00 C ATOM 992 C MET A 62 -7.287 1.872 -2.266 1.00 0.00 C ATOM 993 O MET A 62 -8.208 1.081 -2.277 1.00 0.00 O ATOM 994 CB MET A 62 -5.489 2.075 -3.998 1.00 0.00 C ATOM 995 CG MET A 62 -5.135 2.679 -5.395 1.00 0.00 C ATOM 996 SD MET A 62 -4.238 1.618 -6.552 1.00 0.00 S ATOM 997 CE MET A 62 -2.688 1.564 -5.634 1.00 0.00 C ATOM 0 H MET A 62 -5.835 4.402 -3.173 1.00 0.00 H new ATOM 0 HA MET A 62 -7.603 2.405 -4.314 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.724 2.349 -3.271 1.00 0.00 H new ATOM 0 HB3 MET A 62 -5.499 0.987 -4.056 1.00 0.00 H new ATOM 0 HG2 MET A 62 -6.064 2.991 -5.873 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.542 3.579 -5.233 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.904 2.051 -6.214 1.00 0.00 H new ATOM 0 HE2 MET A 62 -2.810 2.082 -4.683 1.00 0.00 H new ATOM 0 HE3 MET A 62 -2.411 0.526 -5.449 1.00 0.00 H new ATOM 1007 N ALA A 63 -6.599 2.156 -1.191 1.00 0.00 N ATOM 1008 CA ALA A 63 -6.957 1.496 0.079 1.00 0.00 C ATOM 1009 C ALA A 63 -8.414 1.797 0.393 1.00 0.00 C ATOM 1010 O ALA A 63 -9.094 1.014 1.029 1.00 0.00 O ATOM 1011 CB ALA A 63 -6.064 2.061 1.202 1.00 0.00 C ATOM 0 H ALA A 63 -5.816 2.809 -1.146 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.812 0.419 0.000 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.319 1.580 2.146 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -5.017 1.867 0.967 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.223 3.136 1.287 1.00 0.00 H new ATOM 1017 N LYS A 64 -8.874 2.940 -0.070 1.00 0.00 N ATOM 1018 CA LYS A 64 -10.274 3.310 0.184 1.00 0.00 C ATOM 1019 C LYS A 64 -11.177 2.472 -0.699 1.00 0.00 C ATOM 1020 O LYS A 64 -12.287 2.136 -0.331 1.00 0.00 O ATOM 1021 CB LYS A 64 -10.471 4.799 -0.152 1.00 0.00 C ATOM 1022 CG LYS A 64 -11.952 5.154 0.000 1.00 0.00 C ATOM 1023 CD LYS A 64 -12.105 6.678 0.043 1.00 0.00 C ATOM 1024 CE LYS A 64 -13.579 7.041 -0.147 1.00 0.00 C ATOM 1025 NZ LYS A 64 -13.977 6.873 -1.574 1.00 0.00 N ATOM 0 H LYS A 64 -8.332 3.617 -0.607 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.520 3.135 1.231 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.866 5.417 0.511 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.138 5.002 -1.170 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.524 4.743 -0.832 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.352 4.711 0.912 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.743 7.065 0.995 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.501 7.138 -0.739 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.200 6.409 0.487 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.749 8.071 0.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -14.858 7.397 -1.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.224 7.241 -2.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.127 5.864 -1.776 1.00 0.00 H new ATOM 1039 N ALA A 65 -10.680 2.136 -1.860 1.00 0.00 N ATOM 1040 CA ALA A 65 -11.482 1.325 -2.773 1.00 0.00 C ATOM 1041 C ALA A 65 -11.604 -0.062 -2.209 1.00 0.00 C ATOM 1042 O ALA A 65 -12.614 -0.724 -2.360 1.00 0.00 O ATOM 1043 CB ALA A 65 -10.771 1.262 -4.136 1.00 0.00 C ATOM 0 H ALA A 65 -9.754 2.395 -2.200 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.473 1.761 -2.895 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.361 0.659 -4.826 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.662 2.270 -4.537 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.786 0.813 -4.012 1.00 0.00 H new ATOM 1049 N ASP A 66 -10.564 -0.479 -1.560 1.00 0.00 N ATOM 1050 CA ASP A 66 -10.575 -1.817 -0.963 1.00 0.00 C ATOM 1051 C ASP A 66 -11.512 -1.809 0.229 1.00 0.00 C ATOM 1052 O ASP A 66 -12.084 -2.816 0.587 1.00 0.00 O ATOM 1053 CB ASP A 66 -9.138 -2.158 -0.499 1.00 0.00 C ATOM 1054 CG ASP A 66 -8.976 -3.677 -0.419 1.00 0.00 C ATOM 1055 OD1 ASP A 66 -9.875 -4.290 0.130 1.00 0.00 O ATOM 1056 OD2 ASP A 66 -7.960 -4.140 -0.911 1.00 0.00 O ATOM 0 H ASP A 66 -9.707 0.056 -1.420 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.913 -2.560 -1.685 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.411 -1.740 -1.195 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.942 -1.709 0.475 1.00 0.00 H new ATOM 1061 N LYS A 67 -11.645 -0.656 0.832 1.00 0.00 N ATOM 1062 CA LYS A 67 -12.535 -0.555 1.993 1.00 0.00 C ATOM 1063 C LYS A 67 -13.942 -0.945 1.584 1.00 0.00 C ATOM 1064 O LYS A 67 -14.661 -1.561 2.338 1.00 0.00 O ATOM 1065 CB LYS A 67 -12.533 0.905 2.504 1.00 0.00 C ATOM 1066 CG LYS A 67 -12.997 0.926 3.965 1.00 0.00 C ATOM 1067 CD LYS A 67 -12.970 2.369 4.479 1.00 0.00 C ATOM 1068 CE LYS A 67 -13.646 2.427 5.850 1.00 0.00 C ATOM 1069 NZ LYS A 67 -12.922 1.562 6.825 1.00 0.00 N ATOM 0 H LYS A 67 -11.173 0.207 0.562 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.190 -1.222 2.783 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.533 1.331 2.421 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.193 1.519 1.891 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.004 0.517 4.046 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.348 0.297 4.575 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.942 2.723 4.552 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.484 3.027 3.778 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.664 3.456 6.210 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.683 2.101 5.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.224 1.800 7.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -13.138 0.563 6.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.898 1.718 6.734 1.00 0.00 H new ATOM 1083 N ALA A 68 -14.315 -0.572 0.384 1.00 0.00 N ATOM 1084 CA ALA A 68 -15.669 -0.919 -0.085 1.00 0.00 C ATOM 1085 C ALA A 68 -15.771 -2.406 -0.376 1.00 0.00 C ATOM 1086 O ALA A 68 -16.808 -3.012 -0.185 1.00 0.00 O ATOM 1087 CB ALA A 68 -15.963 -0.132 -1.371 1.00 0.00 C ATOM 0 H ALA A 68 -13.740 -0.049 -0.276 1.00 0.00 H new ATOM 0 HA ALA A 68 -16.390 -0.666 0.692 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -16.962 -0.380 -1.729 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -15.906 0.937 -1.165 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.229 -0.394 -2.134 1.00 0.00 H new ATOM 1093 N ARG A 69 -14.694 -2.968 -0.837 1.00 0.00 N ATOM 1094 CA ARG A 69 -14.710 -4.421 -1.146 1.00 0.00 C ATOM 1095 C ARG A 69 -14.849 -5.226 0.140 1.00 0.00 C ATOM 1096 O ARG A 69 -15.367 -6.322 0.139 1.00 0.00 O ATOM 1097 CB ARG A 69 -13.380 -4.803 -1.823 1.00 0.00 C ATOM 1098 CG ARG A 69 -13.280 -4.100 -3.192 1.00 0.00 C ATOM 1099 CD ARG A 69 -14.334 -4.678 -4.177 1.00 0.00 C ATOM 1100 NE ARG A 69 -15.477 -3.727 -4.269 1.00 0.00 N ATOM 1101 CZ ARG A 69 -16.321 -3.831 -5.264 1.00 0.00 C ATOM 1102 NH1 ARG A 69 -16.137 -4.771 -6.151 1.00 0.00 N ATOM 1103 NH2 ARG A 69 -17.316 -2.991 -5.339 1.00 0.00 N ATOM 0 H ARG A 69 -13.810 -2.490 -1.012 1.00 0.00 H new ATOM 0 HA ARG A 69 -15.551 -4.638 -1.804 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.541 -4.512 -1.191 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -13.322 -5.884 -1.952 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -13.437 -3.028 -3.070 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -12.279 -4.231 -3.603 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -13.889 -4.829 -5.160 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.680 -5.652 -3.831 1.00 0.00 H new ATOM 0 HE ARG A 69 -15.601 -3.001 -3.563 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -15.346 -5.409 -6.062 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -16.784 -4.868 -6.933 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -17.427 -2.267 -4.629 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -17.983 -3.058 -6.108 1.00 0.00 H new ATOM 1117 N TYR A 70 -14.377 -4.658 1.217 1.00 0.00 N ATOM 1118 CA TYR A 70 -14.464 -5.362 2.520 1.00 0.00 C ATOM 1119 C TYR A 70 -15.907 -5.421 3.014 1.00 0.00 C ATOM 1120 O TYR A 70 -16.374 -6.457 3.444 1.00 0.00 O ATOM 1121 CB TYR A 70 -13.621 -4.579 3.544 1.00 0.00 C ATOM 1122 CG TYR A 70 -13.632 -5.310 4.888 1.00 0.00 C ATOM 1123 CD1 TYR A 70 -14.669 -5.125 5.778 1.00 0.00 C ATOM 1124 CD2 TYR A 70 -12.593 -6.150 5.237 1.00 0.00 C ATOM 1125 CE1 TYR A 70 -14.670 -5.770 6.998 1.00 0.00 C ATOM 1126 CE2 TYR A 70 -12.595 -6.795 6.458 1.00 0.00 C ATOM 1127 CZ TYR A 70 -13.631 -6.608 7.347 1.00 0.00 C ATOM 1128 OH TYR A 70 -13.627 -7.243 8.571 1.00 0.00 O ATOM 0 H TYR A 70 -13.936 -3.739 1.247 1.00 0.00 H new ATOM 0 HA TYR A 70 -14.097 -6.382 2.401 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.597 -4.476 3.184 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -14.020 -3.572 3.664 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -15.487 -4.470 5.518 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -11.773 -6.304 4.551 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -15.490 -5.618 7.684 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -11.778 -7.451 6.718 1.00 0.00 H new ATOM 0 HH TYR A 70 -12.821 -7.795 8.650 1.00 0.00 H new ATOM 1138 N GLU A 71 -16.591 -4.307 2.942 1.00 0.00 N ATOM 1139 CA GLU A 71 -17.995 -4.285 3.402 1.00 0.00 C ATOM 1140 C GLU A 71 -18.910 -4.949 2.387 1.00 0.00 C ATOM 1141 O GLU A 71 -19.996 -5.381 2.714 1.00 0.00 O ATOM 1142 CB GLU A 71 -18.422 -2.824 3.570 1.00 0.00 C ATOM 1143 CG GLU A 71 -17.434 -2.133 4.507 1.00 0.00 C ATOM 1144 CD GLU A 71 -18.016 -0.797 4.967 1.00 0.00 C ATOM 1145 OE1 GLU A 71 -18.652 -0.168 4.137 1.00 0.00 O ATOM 1146 OE2 GLU A 71 -17.791 -0.479 6.124 1.00 0.00 O ATOM 0 H GLU A 71 -16.233 -3.421 2.585 1.00 0.00 H new ATOM 0 HA GLU A 71 -18.070 -4.829 4.344 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -18.441 -2.322 2.603 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -19.432 -2.769 3.977 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -17.229 -2.768 5.369 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -16.485 -1.972 3.997 1.00 0.00 H new ATOM 1153 N ARG A 72 -18.455 -5.013 1.169 1.00 0.00 N ATOM 1154 CA ARG A 72 -19.289 -5.647 0.116 1.00 0.00 C ATOM 1155 C ARG A 72 -19.314 -7.159 0.274 1.00 0.00 C ATOM 1156 O ARG A 72 -20.245 -7.814 -0.155 1.00 0.00 O ATOM 1157 CB ARG A 72 -18.690 -5.304 -1.259 1.00 0.00 C ATOM 1158 CG ARG A 72 -19.533 -5.974 -2.356 1.00 0.00 C ATOM 1159 CD ARG A 72 -19.212 -5.328 -3.708 1.00 0.00 C ATOM 1160 NE ARG A 72 -20.064 -5.957 -4.760 1.00 0.00 N ATOM 1161 CZ ARG A 72 -20.228 -5.349 -5.904 1.00 0.00 C ATOM 1162 NH1 ARG A 72 -19.637 -4.201 -6.102 1.00 0.00 N ATOM 1163 NH2 ARG A 72 -20.978 -5.910 -6.812 1.00 0.00 N ATOM 0 H ARG A 72 -17.550 -4.657 0.860 1.00 0.00 H new ATOM 0 HA ARG A 72 -20.308 -5.271 0.204 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -18.675 -4.224 -1.404 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -17.657 -5.648 -1.316 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -19.321 -7.043 -2.391 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -20.594 -5.867 -2.132 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -19.396 -4.255 -3.666 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -18.157 -5.461 -3.948 1.00 0.00 H new ATOM 0 HE ARG A 72 -20.515 -6.855 -4.587 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -19.058 -3.792 -5.369 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -19.755 -3.713 -6.990 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -21.424 -6.807 -6.622 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -21.119 -5.451 -7.712 1.00 0.00 H new ATOM 1177 N GLU A 73 -18.292 -7.682 0.892 1.00 0.00 N ATOM 1178 CA GLU A 73 -18.222 -9.160 1.097 1.00 0.00 C ATOM 1179 C GLU A 73 -19.040 -9.585 2.317 1.00 0.00 C ATOM 1180 O GLU A 73 -19.433 -10.724 2.433 1.00 0.00 O ATOM 1181 CB GLU A 73 -16.748 -9.547 1.326 1.00 0.00 C ATOM 1182 CG GLU A 73 -16.016 -9.545 -0.019 1.00 0.00 C ATOM 1183 CD GLU A 73 -14.516 -9.737 0.219 1.00 0.00 C ATOM 1184 OE1 GLU A 73 -14.195 -10.698 0.898 1.00 0.00 O ATOM 1185 OE2 GLU A 73 -13.776 -8.913 -0.293 1.00 0.00 O ATOM 0 H GLU A 73 -17.503 -7.153 1.264 1.00 0.00 H new ATOM 0 HA GLU A 73 -18.629 -9.660 0.218 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -16.276 -8.843 2.012 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -16.685 -10.533 1.787 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -16.400 -10.342 -0.656 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -16.195 -8.606 -0.542 1.00 0.00 H new ATOM 1192 N MET A 74 -19.274 -8.660 3.205 1.00 0.00 N ATOM 1193 CA MET A 74 -20.059 -9.000 4.413 1.00 0.00 C ATOM 1194 C MET A 74 -21.469 -9.459 4.043 1.00 0.00 C ATOM 1195 O MET A 74 -22.250 -9.820 4.899 1.00 0.00 O ATOM 1196 CB MET A 74 -20.166 -7.735 5.291 1.00 0.00 C ATOM 1197 CG MET A 74 -18.811 -7.460 5.966 1.00 0.00 C ATOM 1198 SD MET A 74 -18.430 -8.405 7.476 1.00 0.00 S ATOM 1199 CE MET A 74 -16.898 -9.197 6.915 1.00 0.00 C ATOM 0 H MET A 74 -18.957 -7.692 3.144 1.00 0.00 H new ATOM 0 HA MET A 74 -19.559 -9.811 4.943 1.00 0.00 H new ATOM 0 HB2 MET A 74 -20.460 -6.881 4.681 1.00 0.00 H new ATOM 0 HB3 MET A 74 -20.940 -7.869 6.047 1.00 0.00 H new ATOM 0 HG2 MET A 74 -18.024 -7.655 5.237 1.00 0.00 H new ATOM 0 HG3 MET A 74 -18.764 -6.399 6.210 1.00 0.00 H new ATOM 0 HE1 MET A 74 -16.391 -9.653 7.766 1.00 0.00 H new ATOM 0 HE2 MET A 74 -17.134 -9.966 6.179 1.00 0.00 H new ATOM 0 HE3 MET A 74 -16.246 -8.449 6.463 1.00 0.00 H new ATOM 1209 N LYS A 75 -21.768 -9.434 2.771 1.00 0.00 N ATOM 1210 CA LYS A 75 -23.112 -9.863 2.330 1.00 0.00 C ATOM 1211 C LYS A 75 -23.261 -11.388 2.396 1.00 0.00 C ATOM 1212 O LYS A 75 -24.240 -11.936 1.929 1.00 0.00 O ATOM 1213 CB LYS A 75 -23.315 -9.386 0.864 1.00 0.00 C ATOM 1214 CG LYS A 75 -24.816 -9.123 0.596 1.00 0.00 C ATOM 1215 CD LYS A 75 -25.200 -7.695 1.061 1.00 0.00 C ATOM 1216 CE LYS A 75 -24.516 -6.631 0.169 1.00 0.00 C ATOM 1217 NZ LYS A 75 -25.399 -5.436 0.025 1.00 0.00 N ATOM 0 H LYS A 75 -21.138 -9.135 2.027 1.00 0.00 H new ATOM 0 HA LYS A 75 -23.861 -9.426 2.991 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -22.741 -8.477 0.686 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -22.940 -10.140 0.172 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -25.029 -9.237 -0.467 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -25.422 -9.860 1.123 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -26.282 -7.572 1.019 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -24.903 -7.552 2.100 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -23.562 -6.337 0.607 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -24.300 -7.053 -0.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -24.930 -4.728 -0.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -26.299 -5.720 -0.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -25.584 -5.026 0.963 1.00 0.00 H new ATOM 1231 N THR A 76 -22.281 -12.040 2.974 1.00 0.00 N ATOM 1232 CA THR A 76 -22.347 -13.527 3.082 1.00 0.00 C ATOM 1233 C THR A 76 -21.417 -14.031 4.188 1.00 0.00 C ATOM 1234 O THR A 76 -21.251 -15.220 4.371 1.00 0.00 O ATOM 1235 CB THR A 76 -21.922 -14.140 1.731 1.00 0.00 C ATOM 1236 OG1 THR A 76 -22.166 -15.526 1.857 1.00 0.00 O ATOM 1237 CG2 THR A 76 -20.402 -14.039 1.518 1.00 0.00 C ATOM 0 H THR A 76 -21.446 -11.609 3.372 1.00 0.00 H new ATOM 0 HA THR A 76 -23.366 -13.824 3.329 1.00 0.00 H new ATOM 0 HB THR A 76 -22.450 -13.633 0.923 1.00 0.00 H new ATOM 0 HG1 THR A 76 -21.905 -15.824 2.753 1.00 0.00 H new ATOM 0 HG21 THR A 76 -20.139 -14.481 0.557 1.00 0.00 H new ATOM 0 HG22 THR A 76 -20.102 -12.991 1.530 1.00 0.00 H new ATOM 0 HG23 THR A 76 -19.886 -14.574 2.316 1.00 0.00 H new ATOM 1245 N TYR A 77 -20.832 -13.109 4.905 1.00 0.00 N ATOM 1246 CA TYR A 77 -19.916 -13.494 5.998 1.00 0.00 C ATOM 1247 C TYR A 77 -20.721 -14.086 7.164 1.00 0.00 C ATOM 1248 O TYR A 77 -21.116 -15.230 7.111 1.00 0.00 O ATOM 1249 CB TYR A 77 -19.192 -12.197 6.438 1.00 0.00 C ATOM 1250 CG TYR A 77 -18.324 -12.418 7.691 1.00 0.00 C ATOM 1251 CD1 TYR A 77 -17.415 -13.461 7.765 1.00 0.00 C ATOM 1252 CD2 TYR A 77 -18.392 -11.520 8.743 1.00 0.00 C ATOM 1253 CE1 TYR A 77 -16.595 -13.596 8.869 1.00 0.00 C ATOM 1254 CE2 TYR A 77 -17.574 -11.658 9.838 1.00 0.00 C ATOM 1255 CZ TYR A 77 -16.669 -12.690 9.913 1.00 0.00 C ATOM 1256 OH TYR A 77 -15.842 -12.814 11.013 1.00 0.00 O ATOM 0 H TYR A 77 -20.954 -12.105 4.774 1.00 0.00 H new ATOM 0 HA TYR A 77 -19.199 -14.249 5.676 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -18.566 -11.837 5.622 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -19.930 -11.421 6.640 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -17.347 -14.172 6.955 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -19.096 -10.702 8.702 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -15.892 -14.414 8.918 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -17.643 -10.948 10.649 1.00 0.00 H new ATOM 0 HH TYR A 77 -16.030 -12.091 11.647 1.00 0.00 H new ATOM 1266 N ILE A 78 -20.962 -13.278 8.175 1.00 0.00 N ATOM 1267 CA ILE A 78 -21.746 -13.746 9.376 1.00 0.00 C ATOM 1268 C ILE A 78 -21.361 -15.195 9.841 1.00 0.00 C ATOM 1269 O ILE A 78 -21.984 -16.162 9.443 1.00 0.00 O ATOM 1270 CB ILE A 78 -23.231 -13.750 8.985 1.00 0.00 C ATOM 1271 CG1 ILE A 78 -23.647 -12.369 8.420 1.00 0.00 C ATOM 1272 CG2 ILE A 78 -24.065 -14.021 10.261 1.00 0.00 C ATOM 1273 CD1 ILE A 78 -23.183 -12.209 6.942 1.00 0.00 C ATOM 0 H ILE A 78 -20.649 -12.309 8.222 1.00 0.00 H new ATOM 0 HA ILE A 78 -21.524 -13.071 10.203 1.00 0.00 H new ATOM 0 HB ILE A 78 -23.401 -14.514 8.226 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -24.730 -12.259 8.479 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -23.212 -11.577 9.029 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -25.125 -14.029 10.008 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -23.785 -14.987 10.680 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -23.873 -13.238 10.995 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -23.487 -11.231 6.569 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -22.098 -12.296 6.890 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -23.639 -12.988 6.331 1.00 0.00 H new ATOM 1285 N PRO A 79 -20.342 -15.318 10.693 1.00 0.00 N ATOM 1286 CA PRO A 79 -19.924 -16.636 11.173 1.00 0.00 C ATOM 1287 C PRO A 79 -21.001 -17.269 12.096 1.00 0.00 C ATOM 1288 O PRO A 79 -21.950 -16.616 12.480 1.00 0.00 O ATOM 1289 CB PRO A 79 -18.614 -16.377 11.978 1.00 0.00 C ATOM 1290 CG PRO A 79 -18.354 -14.839 11.938 1.00 0.00 C ATOM 1291 CD PRO A 79 -19.550 -14.191 11.188 1.00 0.00 C ATOM 0 HA PRO A 79 -19.777 -17.332 10.347 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -18.717 -16.725 13.006 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -17.778 -16.922 11.540 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -18.269 -14.437 12.947 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -17.416 -14.620 11.428 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -20.137 -13.558 11.854 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -19.207 -13.560 10.368 1.00 0.00 H new ATOM 1299 N PRO A 80 -20.816 -18.548 12.436 1.00 0.00 N ATOM 1300 CA PRO A 80 -21.760 -19.253 13.302 1.00 0.00 C ATOM 1301 C PRO A 80 -21.630 -18.774 14.757 1.00 0.00 C ATOM 1302 O PRO A 80 -21.112 -17.707 15.025 1.00 0.00 O ATOM 1303 CB PRO A 80 -21.342 -20.755 13.191 1.00 0.00 C ATOM 1304 CG PRO A 80 -19.916 -20.773 12.559 1.00 0.00 C ATOM 1305 CD PRO A 80 -19.681 -19.369 11.955 1.00 0.00 C ATOM 0 HA PRO A 80 -22.795 -19.079 13.008 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -21.337 -21.230 14.172 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -22.048 -21.309 12.572 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -19.162 -21.002 13.312 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -19.843 -21.542 11.790 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -18.728 -18.954 12.282 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -19.656 -19.407 10.866 1.00 0.00 H new ATOM 1313 N LYS A 81 -22.105 -19.584 15.655 1.00 0.00 N ATOM 1314 CA LYS A 81 -22.035 -19.231 17.092 1.00 0.00 C ATOM 1315 C LYS A 81 -20.586 -19.148 17.564 1.00 0.00 C ATOM 1316 O LYS A 81 -20.045 -20.105 18.080 1.00 0.00 O ATOM 1317 CB LYS A 81 -22.745 -20.339 17.896 1.00 0.00 C ATOM 1318 CG LYS A 81 -24.230 -20.422 17.476 1.00 0.00 C ATOM 1319 CD LYS A 81 -25.052 -19.387 18.256 1.00 0.00 C ATOM 1320 CE LYS A 81 -26.533 -19.571 17.918 1.00 0.00 C ATOM 1321 NZ LYS A 81 -27.006 -20.914 18.360 1.00 0.00 N ATOM 0 H LYS A 81 -22.542 -20.483 15.452 1.00 0.00 H new ATOM 0 HA LYS A 81 -22.510 -18.261 17.242 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -22.255 -21.297 17.723 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -22.671 -20.131 18.963 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -24.325 -20.242 16.405 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -24.615 -21.424 17.666 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -24.892 -19.509 19.327 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -24.729 -18.378 17.998 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -27.122 -18.793 18.404 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -26.683 -19.461 16.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -28.035 -20.888 18.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -26.778 -21.620 17.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -26.535 -21.172 19.251 1.00 0.00 H new ATOM 1335 N GLY A 82 -19.982 -18.005 17.380 1.00 0.00 N ATOM 1336 CA GLY A 82 -18.562 -17.851 17.817 1.00 0.00 C ATOM 1337 C GLY A 82 -18.472 -17.797 19.345 1.00 0.00 C ATOM 1338 O GLY A 82 -18.212 -18.795 19.990 1.00 0.00 O ATOM 0 H GLY A 82 -20.402 -17.180 16.952 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -17.968 -18.684 17.441 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -18.141 -16.941 17.390 1.00 0.00 H new ATOM 1342 N GLU A 83 -18.687 -16.631 19.893 1.00 0.00 N ATOM 1343 CA GLU A 83 -18.618 -16.492 21.368 1.00 0.00 C ATOM 1344 C GLU A 83 -19.591 -17.448 22.049 1.00 0.00 C ATOM 1345 O GLU A 83 -20.762 -17.357 21.719 1.00 0.00 O ATOM 1346 CB GLU A 83 -18.999 -15.047 21.737 1.00 0.00 C ATOM 1347 CG GLU A 83 -18.637 -14.788 23.200 1.00 0.00 C ATOM 1348 CD GLU A 83 -19.141 -13.403 23.610 1.00 0.00 C ATOM 1349 OE1 GLU A 83 -18.404 -12.463 23.363 1.00 0.00 O ATOM 1350 OE2 GLU A 83 -20.236 -13.361 24.147 1.00 0.00 O ATOM 1351 OXT GLU A 83 -19.111 -18.220 22.862 1.00 0.00 O ATOM 0 H GLU A 83 -18.906 -15.776 19.383 1.00 0.00 H new ATOM 0 HA GLU A 83 -17.608 -16.728 21.702 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -18.474 -14.344 21.090 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -20.066 -14.889 21.581 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -19.082 -15.552 23.837 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -17.557 -14.849 23.335 1.00 0.00 H new TER 1358 GLU A 83