USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 725 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 74 GLN : amide:sc= -2.12 K(o=-2.1,f=-3.1!) USER MOD Set 1.2: A 78 ASN : amide:sc= 0 K(o=-2.1,f=-3.6) USER MOD Set 2.1: A 20 GLN : amide:sc= -0.868 K(o=-1.6,f=-0.49) USER MOD Set 2.2: A 55 HIS : no HE2:sc= -0.781 K(o=-1.6,f=-0.49!) USER MOD Set 3.1: A 1 HIS : no HE2:sc= -0.752 X(o=-0.75,f=-0.75) USER MOD Set 3.2: A 4 HIS : no HD1:sc= 0 K(o=-0.75,f=-2.6!) USER MOD Single : A 1 HIS N :NH3+ 138:sc= 0.0508 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.499 X(o=-0.5,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.0094) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HE2:sc= -0.222 K(o=-0.22,f=-1.1) USER MOD Single : A 9 MET CE :methyl -131:sc= -0.22 (180deg=-0.934) USER MOD Single : A 13 THR OG1 : rot -140:sc= -0.0287 USER MOD Single : A 19 HIS : no HE2:sc= 0.697 K(o=0.7,f=-2.2!) USER MOD Single : A 21 THR OG1 : rot 56:sc= 0.608 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -130:sc= -0.122 USER MOD Single : A 37 THR OG1 : rot -130:sc= -0.0564 USER MOD Single : A 38 THR OG1 : rot -2:sc= 1.18 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0109) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 57 LYS NZ :NH3+ -118:sc= -0.128 (180deg=-2.24!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.926 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00844) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.149 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 11.755 -22.268 -7.249 1.00 75.00 N ATOM 2 CA HIS A 1 11.104 -22.099 -8.569 1.00 75.00 C ATOM 3 C HIS A 1 11.155 -20.612 -8.943 1.00 75.00 C ATOM 4 O HIS A 1 10.965 -19.752 -8.069 1.00 75.00 O ATOM 5 CB HIS A 1 9.646 -22.621 -8.504 1.00 75.00 C ATOM 6 CG HIS A 1 8.890 -22.689 -9.816 1.00 75.00 C ATOM 7 ND1 HIS A 1 8.566 -23.879 -10.434 1.00 75.00 N ATOM 8 CD2 HIS A 1 8.293 -21.725 -10.560 1.00 75.00 C ATOM 9 CE1 HIS A 1 7.811 -23.641 -11.489 1.00 75.00 C ATOM 10 NE2 HIS A 1 7.629 -22.345 -11.585 1.00 75.00 N ATOM 0 H1 HIS A 1 11.199 -22.929 -6.670 1.00 75.00 H new ATOM 0 H2 HIS A 1 12.715 -22.646 -7.381 1.00 75.00 H new ATOM 0 H3 HIS A 1 11.809 -21.347 -6.768 1.00 75.00 H new ATOM 0 HA HIS A 1 11.624 -22.675 -9.335 1.00 75.00 H new ATOM 0 HB2 HIS A 1 9.661 -23.620 -8.067 1.00 75.00 H new ATOM 0 HB3 HIS A 1 9.086 -21.983 -7.821 1.00 75.00 H new ATOM 0 HD1 HIS A 1 8.865 -24.803 -10.122 1.00 75.00 H new ATOM 0 HD2 HIS A 1 8.334 -20.661 -10.377 1.00 75.00 H new ATOM 0 HE1 HIS A 1 7.410 -24.386 -12.160 1.00 75.00 H new ATOM 21 N HIS A 2 11.402 -20.323 -10.240 1.00 75.00 N ATOM 22 CA HIS A 2 11.559 -18.941 -10.752 1.00 75.00 C ATOM 23 C HIS A 2 10.241 -18.148 -10.642 1.00 75.00 C ATOM 24 O HIS A 2 9.156 -18.718 -10.784 1.00 75.00 O ATOM 25 CB HIS A 2 12.061 -18.941 -12.224 1.00 75.00 C ATOM 26 CG HIS A 2 13.466 -19.459 -12.392 1.00 75.00 C ATOM 27 ND1 HIS A 2 14.575 -18.643 -12.310 1.00 75.00 N ATOM 28 CD2 HIS A 2 13.944 -20.704 -12.625 1.00 75.00 C ATOM 29 CE1 HIS A 2 15.662 -19.365 -12.484 1.00 75.00 C ATOM 30 NE2 HIS A 2 15.310 -20.616 -12.676 1.00 75.00 N ATOM 0 H HIS A 2 11.498 -21.038 -10.961 1.00 75.00 H new ATOM 0 HA HIS A 2 12.308 -18.450 -10.130 1.00 75.00 H new ATOM 0 HB2 HIS A 2 11.386 -19.548 -12.827 1.00 75.00 H new ATOM 0 HB3 HIS A 2 12.010 -17.925 -12.614 1.00 75.00 H new ATOM 0 HD2 HIS A 2 13.356 -21.602 -12.748 1.00 75.00 H new ATOM 0 HE1 HIS A 2 16.675 -18.991 -12.471 1.00 75.00 H new ATOM 0 HE2 HIS A 2 15.949 -21.394 -12.837 1.00 75.00 H new ATOM 39 N HIS A 3 10.369 -16.828 -10.366 1.00 75.00 N ATOM 40 CA HIS A 3 9.234 -15.875 -10.231 1.00 75.00 C ATOM 41 C HIS A 3 8.352 -16.197 -9.002 1.00 75.00 C ATOM 42 O HIS A 3 7.223 -15.711 -8.900 1.00 75.00 O ATOM 43 CB HIS A 3 8.388 -15.803 -11.544 1.00 75.00 C ATOM 44 CG HIS A 3 9.141 -15.298 -12.763 1.00 75.00 C ATOM 45 ND1 HIS A 3 8.869 -14.093 -13.381 1.00 75.00 N ATOM 46 CD2 HIS A 3 10.139 -15.861 -13.497 1.00 75.00 C ATOM 47 CE1 HIS A 3 9.655 -13.945 -14.428 1.00 75.00 C ATOM 48 NE2 HIS A 3 10.435 -14.997 -14.518 1.00 75.00 N ATOM 0 H HIS A 3 11.278 -16.385 -10.228 1.00 75.00 H new ATOM 0 HA HIS A 3 9.663 -14.887 -10.064 1.00 75.00 H new ATOM 0 HB2 HIS A 3 7.997 -16.797 -11.762 1.00 75.00 H new ATOM 0 HB3 HIS A 3 7.529 -15.154 -11.371 1.00 75.00 H new ATOM 0 HD2 HIS A 3 10.611 -16.814 -13.309 1.00 75.00 H new ATOM 0 HE1 HIS A 3 9.657 -13.099 -15.100 1.00 75.00 H new ATOM 0 HE2 HIS A 3 11.147 -15.147 -15.233 1.00 75.00 H new ATOM 57 N HIS A 4 8.896 -16.995 -8.057 1.00 75.00 N ATOM 58 CA HIS A 4 8.181 -17.423 -6.833 1.00 75.00 C ATOM 59 C HIS A 4 9.150 -17.446 -5.639 1.00 75.00 C ATOM 60 O HIS A 4 9.031 -18.294 -4.745 1.00 75.00 O ATOM 61 CB HIS A 4 7.533 -18.826 -7.048 1.00 75.00 C ATOM 62 CG HIS A 4 6.381 -18.842 -8.015 1.00 75.00 C ATOM 63 ND1 HIS A 4 6.534 -19.056 -9.369 1.00 75.00 N ATOM 64 CD2 HIS A 4 5.053 -18.654 -7.821 1.00 75.00 C ATOM 65 CE1 HIS A 4 5.359 -18.998 -9.957 1.00 75.00 C ATOM 66 NE2 HIS A 4 4.443 -18.752 -9.047 1.00 75.00 N ATOM 0 H HIS A 4 9.846 -17.362 -8.121 1.00 75.00 H new ATOM 0 HA HIS A 4 7.385 -16.710 -6.618 1.00 75.00 H new ATOM 0 HB2 HIS A 4 8.299 -19.515 -7.404 1.00 75.00 H new ATOM 0 HB3 HIS A 4 7.188 -19.204 -6.086 1.00 75.00 H new ATOM 0 HD2 HIS A 4 4.565 -18.463 -6.877 1.00 75.00 H new ATOM 0 HE1 HIS A 4 5.177 -19.131 -11.013 1.00 75.00 H new ATOM 0 HE2 HIS A 4 3.443 -18.651 -9.223 1.00 75.00 H new ATOM 75 N HIS A 5 10.083 -16.478 -5.614 1.00 75.00 N ATOM 76 CA HIS A 5 11.154 -16.415 -4.596 1.00 75.00 C ATOM 77 C HIS A 5 10.585 -16.083 -3.194 1.00 75.00 C ATOM 78 O HIS A 5 10.658 -16.914 -2.281 1.00 75.00 O ATOM 79 CB HIS A 5 12.230 -15.387 -5.031 1.00 75.00 C ATOM 80 CG HIS A 5 13.423 -15.245 -4.100 1.00 75.00 C ATOM 81 ND1 HIS A 5 14.582 -15.986 -4.238 1.00 75.00 N ATOM 82 CD2 HIS A 5 13.647 -14.422 -3.037 1.00 75.00 C ATOM 83 CE1 HIS A 5 15.448 -15.627 -3.311 1.00 75.00 C ATOM 84 NE2 HIS A 5 14.908 -14.686 -2.572 1.00 75.00 N ATOM 0 H HIS A 5 10.119 -15.719 -6.294 1.00 75.00 H new ATOM 0 HA HIS A 5 11.621 -17.397 -4.521 1.00 75.00 H new ATOM 0 HB2 HIS A 5 12.595 -15.668 -6.019 1.00 75.00 H new ATOM 0 HB3 HIS A 5 11.754 -14.412 -5.132 1.00 75.00 H new ATOM 0 HD2 HIS A 5 12.957 -13.695 -2.635 1.00 75.00 H new ATOM 0 HE1 HIS A 5 16.438 -16.039 -3.181 1.00 75.00 H new ATOM 0 HE2 HIS A 5 15.355 -14.226 -1.779 1.00 75.00 H new ATOM 93 N HIS A 6 10.011 -14.876 -3.033 1.00 75.00 N ATOM 94 CA HIS A 6 9.531 -14.395 -1.719 1.00 75.00 C ATOM 95 C HIS A 6 8.535 -13.230 -1.874 1.00 75.00 C ATOM 96 O HIS A 6 8.861 -12.206 -2.486 1.00 75.00 O ATOM 97 CB HIS A 6 10.741 -13.955 -0.854 1.00 75.00 C ATOM 98 CG HIS A 6 10.396 -13.474 0.533 1.00 75.00 C ATOM 99 ND1 HIS A 6 10.714 -12.215 0.997 1.00 75.00 N ATOM 100 CD2 HIS A 6 9.788 -14.104 1.567 1.00 75.00 C ATOM 101 CE1 HIS A 6 10.325 -12.096 2.247 1.00 75.00 C ATOM 102 NE2 HIS A 6 9.761 -13.224 2.617 1.00 75.00 N ATOM 0 H HIS A 6 9.867 -14.214 -3.796 1.00 75.00 H new ATOM 0 HA HIS A 6 9.007 -15.213 -1.225 1.00 75.00 H new ATOM 0 HB2 HIS A 6 11.431 -14.794 -0.769 1.00 75.00 H new ATOM 0 HB3 HIS A 6 11.271 -13.158 -1.377 1.00 75.00 H new ATOM 0 HD2 HIS A 6 9.398 -15.111 1.564 1.00 75.00 H new ATOM 0 HE1 HIS A 6 10.448 -11.219 2.866 1.00 75.00 H new ATOM 0 HE2 HIS A 6 9.366 -13.414 3.538 1.00 75.00 H new ATOM 111 N SER A 7 7.329 -13.407 -1.308 1.00 75.00 N ATOM 112 CA SER A 7 6.294 -12.356 -1.220 1.00 75.00 C ATOM 113 C SER A 7 6.573 -11.416 -0.019 1.00 75.00 C ATOM 114 O SER A 7 7.543 -11.624 0.715 1.00 75.00 O ATOM 115 CB SER A 7 4.906 -13.027 -1.076 1.00 75.00 C ATOM 116 OG SER A 7 4.692 -13.982 -2.104 1.00 75.00 O ATOM 0 H SER A 7 7.040 -14.293 -0.893 1.00 75.00 H new ATOM 0 HA SER A 7 6.312 -11.752 -2.127 1.00 75.00 H new ATOM 0 HB2 SER A 7 4.832 -13.513 -0.103 1.00 75.00 H new ATOM 0 HB3 SER A 7 4.125 -12.267 -1.113 1.00 75.00 H new ATOM 0 HG SER A 7 3.810 -14.393 -1.990 1.00 75.00 H new ATOM 122 N HIS A 8 5.722 -10.384 0.171 1.00 50.00 N ATOM 123 CA HIS A 8 5.863 -9.425 1.299 1.00 50.00 C ATOM 124 C HIS A 8 5.238 -10.034 2.568 1.00 50.00 C ATOM 125 O HIS A 8 4.275 -10.806 2.479 1.00 50.00 O ATOM 126 CB HIS A 8 5.172 -8.061 0.989 1.00 50.00 C ATOM 127 CG HIS A 8 5.580 -7.386 -0.300 1.00 50.00 C ATOM 128 ND1 HIS A 8 5.740 -6.027 -0.410 1.00 75.00 N ATOM 129 CD2 HIS A 8 5.778 -7.877 -1.552 1.00 75.00 C ATOM 130 CE1 HIS A 8 6.010 -5.712 -1.656 1.00 75.00 C ATOM 131 NE2 HIS A 8 6.044 -6.814 -2.370 1.00 75.00 N ATOM 0 H HIS A 8 4.929 -10.190 -0.440 1.00 50.00 H new ATOM 0 HA HIS A 8 6.926 -9.238 1.449 1.00 50.00 H new ATOM 0 HB2 HIS A 8 4.094 -8.220 0.966 1.00 50.00 H new ATOM 0 HB3 HIS A 8 5.376 -7.378 1.813 1.00 50.00 H new ATOM 0 HD1 HIS A 8 5.661 -5.362 0.360 1.00 75.00 H new ATOM 0 HD2 HIS A 8 5.733 -8.915 -1.846 1.00 75.00 H new ATOM 0 HE1 HIS A 8 6.176 -4.713 -2.031 1.00 75.00 H new ATOM 140 N MET A 9 5.783 -9.693 3.744 1.00 10.00 N ATOM 141 CA MET A 9 5.268 -10.193 5.037 1.00 10.00 C ATOM 142 C MET A 9 4.225 -9.225 5.632 1.00 10.00 C ATOM 143 O MET A 9 3.965 -8.148 5.073 1.00 50.00 O ATOM 144 CB MET A 9 6.433 -10.407 6.033 1.00 50.00 C ATOM 145 CG MET A 9 7.174 -9.127 6.457 1.00 50.00 C ATOM 146 SD MET A 9 8.306 -9.407 7.827 1.00 50.00 S ATOM 147 CE MET A 9 7.176 -9.873 9.150 1.00 75.00 C ATOM 0 H MET A 9 6.585 -9.069 3.832 1.00 10.00 H new ATOM 0 HA MET A 9 4.777 -11.149 4.858 1.00 10.00 H new ATOM 0 HB2 MET A 9 6.042 -10.894 6.926 1.00 50.00 H new ATOM 0 HB3 MET A 9 7.152 -11.093 5.585 1.00 50.00 H new ATOM 0 HG2 MET A 9 7.730 -8.734 5.606 1.00 50.00 H new ATOM 0 HG3 MET A 9 6.446 -8.367 6.741 1.00 50.00 H new ATOM 0 HE1 MET A 9 7.404 -9.293 10.044 1.00 75.00 H new ATOM 0 HE2 MET A 9 6.150 -9.673 8.840 1.00 75.00 H new ATOM 0 HE3 MET A 9 7.289 -10.935 9.368 1.00 75.00 H new ATOM 157 N VAL A 10 3.618 -9.639 6.766 1.00 10.00 N ATOM 158 CA VAL A 10 2.694 -8.786 7.532 1.00 10.00 C ATOM 159 C VAL A 10 3.443 -7.566 8.129 1.00 10.00 C ATOM 160 O VAL A 10 4.576 -7.703 8.617 1.00 50.00 O ATOM 161 CB VAL A 10 1.962 -9.593 8.674 1.00 50.00 C ATOM 162 CG1 VAL A 10 1.169 -10.783 8.098 1.00 50.00 C ATOM 163 CG2 VAL A 10 2.945 -10.075 9.771 1.00 50.00 C ATOM 0 H VAL A 10 3.755 -10.566 7.170 1.00 10.00 H new ATOM 0 HA VAL A 10 1.932 -8.428 6.839 1.00 10.00 H new ATOM 0 HB VAL A 10 1.259 -8.905 9.143 1.00 50.00 H new ATOM 0 HG11 VAL A 10 0.676 -11.319 8.909 1.00 50.00 H new ATOM 0 HG12 VAL A 10 0.419 -10.416 7.398 1.00 50.00 H new ATOM 0 HG13 VAL A 10 1.850 -11.457 7.579 1.00 50.00 H new ATOM 0 HG21 VAL A 10 2.396 -10.625 10.535 1.00 50.00 H new ATOM 0 HG22 VAL A 10 3.697 -10.726 9.325 1.00 50.00 H new ATOM 0 HG23 VAL A 10 3.434 -9.213 10.225 1.00 50.00 H new ATOM 173 N GLY A 11 2.827 -6.377 8.037 1.00 10.00 N ATOM 174 CA GLY A 11 3.400 -5.170 8.644 1.00 10.00 C ATOM 175 C GLY A 11 4.439 -4.476 7.770 1.00 10.00 C ATOM 176 O GLY A 11 5.126 -3.561 8.247 1.00 50.00 O ATOM 0 H GLY A 11 1.942 -6.228 7.553 1.00 10.00 H new ATOM 0 HA2 GLY A 11 2.596 -4.468 8.863 1.00 10.00 H new ATOM 0 HA3 GLY A 11 3.859 -5.436 9.596 1.00 10.00 H new ATOM 180 N ASP A 12 4.576 -4.916 6.501 1.00 10.00 N ATOM 181 CA ASP A 12 5.545 -4.327 5.553 1.00 10.00 C ATOM 182 C ASP A 12 5.134 -2.869 5.245 1.00 10.00 C ATOM 183 O ASP A 12 4.184 -2.644 4.494 1.00 50.00 O ATOM 184 CB ASP A 12 5.603 -5.176 4.243 1.00 50.00 C ATOM 185 CG ASP A 12 6.727 -4.782 3.251 1.00 50.00 C ATOM 186 OD1 ASP A 12 7.542 -3.865 3.534 1.00 50.00 O ATOM 187 OD2 ASP A 12 6.792 -5.393 2.160 1.00 50.00 O ATOM 0 H ASP A 12 4.025 -5.680 6.109 1.00 10.00 H new ATOM 0 HA ASP A 12 6.540 -4.328 5.999 1.00 10.00 H new ATOM 0 HB2 ASP A 12 5.730 -6.224 4.514 1.00 50.00 H new ATOM 0 HB3 ASP A 12 4.644 -5.093 3.732 1.00 50.00 H new ATOM 192 N THR A 13 5.875 -1.891 5.799 1.00 10.00 N ATOM 193 CA THR A 13 5.458 -0.478 5.798 1.00 10.00 C ATOM 194 C THR A 13 5.574 0.131 4.392 1.00 10.00 C ATOM 195 O THR A 13 6.630 0.084 3.753 1.00 50.00 O ATOM 196 CB THR A 13 6.289 0.364 6.815 1.00 50.00 C ATOM 197 OG1 THR A 13 6.189 -0.233 8.125 1.00 50.00 O ATOM 198 CG2 THR A 13 5.807 1.839 6.877 1.00 50.00 C ATOM 0 H THR A 13 6.772 -2.057 6.256 1.00 10.00 H new ATOM 0 HA THR A 13 4.413 -0.451 6.106 1.00 10.00 H new ATOM 0 HB THR A 13 7.326 0.368 6.479 1.00 50.00 H new ATOM 0 HG1 THR A 13 6.107 0.472 8.800 1.00 50.00 H new ATOM 0 HG21 THR A 13 6.412 2.390 7.597 1.00 50.00 H new ATOM 0 HG22 THR A 13 5.908 2.296 5.893 1.00 50.00 H new ATOM 0 HG23 THR A 13 4.762 1.868 7.185 1.00 50.00 H new ATOM 206 N VAL A 14 4.445 0.661 3.909 1.00 10.00 N ATOM 207 CA VAL A 14 4.304 1.247 2.576 1.00 10.00 C ATOM 208 C VAL A 14 3.451 2.532 2.647 1.00 10.00 C ATOM 209 O VAL A 14 3.040 2.969 3.727 1.00 50.00 O ATOM 210 CB VAL A 14 3.633 0.224 1.581 1.00 50.00 C ATOM 211 CG1 VAL A 14 4.522 -1.023 1.340 1.00 50.00 C ATOM 212 CG2 VAL A 14 2.216 -0.179 2.062 1.00 50.00 C ATOM 0 H VAL A 14 3.582 0.694 4.451 1.00 10.00 H new ATOM 0 HA VAL A 14 5.300 1.492 2.207 1.00 10.00 H new ATOM 0 HB VAL A 14 3.530 0.731 0.622 1.00 50.00 H new ATOM 0 HG11 VAL A 14 4.020 -1.700 0.649 1.00 50.00 H new ATOM 0 HG12 VAL A 14 5.477 -0.713 0.915 1.00 50.00 H new ATOM 0 HG13 VAL A 14 4.696 -1.535 2.287 1.00 50.00 H new ATOM 0 HG21 VAL A 14 1.779 -0.885 1.356 1.00 50.00 H new ATOM 0 HG22 VAL A 14 2.284 -0.645 3.045 1.00 50.00 H new ATOM 0 HG23 VAL A 14 1.587 0.709 2.124 1.00 50.00 H new ATOM 222 N TRP A 15 3.213 3.130 1.479 1.00 10.00 N ATOM 223 CA TRP A 15 2.252 4.223 1.286 1.00 10.00 C ATOM 224 C TRP A 15 1.252 3.795 0.214 1.00 10.00 C ATOM 225 O TRP A 15 1.561 2.910 -0.604 1.00 50.00 O ATOM 226 CB TRP A 15 2.967 5.518 0.813 1.00 50.00 C ATOM 227 CG TRP A 15 3.900 6.151 1.819 1.00 50.00 C ATOM 228 CD1 TRP A 15 3.804 6.125 3.184 1.00 50.00 C ATOM 229 CD2 TRP A 15 5.061 6.934 1.521 1.00 50.00 C ATOM 230 NE1 TRP A 15 4.834 6.838 3.742 1.00 50.00 N ATOM 231 CE2 TRP A 15 5.621 7.340 2.744 1.00 50.00 C ATOM 232 CE3 TRP A 15 5.687 7.318 0.336 1.00 50.00 C ATOM 233 CZ2 TRP A 15 6.765 8.128 2.811 1.00 50.00 C ATOM 234 CZ3 TRP A 15 6.820 8.100 0.404 1.00 50.00 C ATOM 235 CH2 TRP A 15 7.353 8.492 1.633 1.00 50.00 C ATOM 0 H TRP A 15 3.693 2.864 0.619 1.00 10.00 H new ATOM 0 HA TRP A 15 1.754 4.430 2.233 1.00 10.00 H new ATOM 0 HB2 TRP A 15 3.534 5.290 -0.089 1.00 50.00 H new ATOM 0 HB3 TRP A 15 2.209 6.250 0.536 1.00 50.00 H new ATOM 0 HD1 TRP A 15 3.030 5.617 3.740 1.00 50.00 H new ATOM 0 HE1 TRP A 15 4.988 6.972 4.741 1.00 50.00 H new ATOM 0 HE3 TRP A 15 5.291 7.008 -0.620 1.00 50.00 H new ATOM 0 HZ2 TRP A 15 7.174 8.441 3.760 1.00 50.00 H new ATOM 0 HZ3 TRP A 15 7.303 8.415 -0.509 1.00 50.00 H new ATOM 0 HH2 TRP A 15 8.249 9.095 1.653 1.00 50.00 H new ATOM 246 N VAL A 16 0.071 4.428 0.197 1.00 10.00 N ATOM 247 CA VAL A 16 -0.872 4.258 -0.916 1.00 10.00 C ATOM 248 C VAL A 16 -0.918 5.565 -1.721 1.00 10.00 C ATOM 249 O VAL A 16 -1.512 6.566 -1.299 1.00 50.00 O ATOM 250 CB VAL A 16 -2.321 3.828 -0.455 1.00 50.00 C ATOM 251 CG1 VAL A 16 -3.242 3.597 -1.686 1.00 50.00 C ATOM 252 CG2 VAL A 16 -2.267 2.560 0.428 1.00 50.00 C ATOM 0 H VAL A 16 -0.252 5.056 0.933 1.00 10.00 H new ATOM 0 HA VAL A 16 -0.512 3.437 -1.537 1.00 10.00 H new ATOM 0 HB VAL A 16 -2.739 4.639 0.141 1.00 50.00 H new ATOM 0 HG11 VAL A 16 -4.235 3.302 -1.347 1.00 50.00 H new ATOM 0 HG12 VAL A 16 -3.315 4.518 -2.264 1.00 50.00 H new ATOM 0 HG13 VAL A 16 -2.823 2.809 -2.311 1.00 50.00 H new ATOM 0 HG21 VAL A 16 -3.277 2.285 0.732 1.00 50.00 H new ATOM 0 HG22 VAL A 16 -1.823 1.741 -0.138 1.00 50.00 H new ATOM 0 HG23 VAL A 16 -1.663 2.759 1.313 1.00 50.00 H new ATOM 262 N ARG A 17 -0.226 5.533 -2.862 1.00 10.00 N ATOM 263 CA ARG A 17 -0.233 6.584 -3.874 1.00 10.00 C ATOM 264 C ARG A 17 -1.566 6.553 -4.650 1.00 10.00 C ATOM 265 O ARG A 17 -1.743 5.784 -5.602 1.00 50.00 O ATOM 266 CB ARG A 17 0.999 6.382 -4.806 1.00 50.00 C ATOM 267 CG ARG A 17 1.126 7.383 -5.969 1.00 50.00 C ATOM 268 CD ARG A 17 2.403 7.156 -6.802 1.00 50.00 C ATOM 269 NE ARG A 17 2.490 5.798 -7.388 1.00 50.00 N ATOM 270 CZ ARG A 17 3.524 5.342 -8.126 1.00 50.00 C ATOM 271 NH1 ARG A 17 4.579 6.121 -8.392 1.00 75.00 N ATOM 272 NH2 ARG A 17 3.489 4.100 -8.603 1.00 75.00 N ATOM 0 H ARG A 17 0.374 4.747 -3.112 1.00 10.00 H new ATOM 0 HA ARG A 17 -0.156 7.569 -3.413 1.00 10.00 H new ATOM 0 HB2 ARG A 17 1.903 6.440 -4.200 1.00 50.00 H new ATOM 0 HB3 ARG A 17 0.957 5.375 -5.220 1.00 50.00 H new ATOM 0 HG2 ARG A 17 0.253 7.297 -6.616 1.00 50.00 H new ATOM 0 HG3 ARG A 17 1.130 8.398 -5.572 1.00 50.00 H new ATOM 0 HD2 ARG A 17 2.440 7.893 -7.604 1.00 50.00 H new ATOM 0 HD3 ARG A 17 3.275 7.328 -6.171 1.00 50.00 H new ATOM 0 HE ARG A 17 1.711 5.161 -7.221 1.00 50.00 H new ATOM 0 HH11 ARG A 17 4.611 7.076 -8.035 1.00 75.00 H new ATOM 0 HH12 ARG A 17 5.352 5.760 -8.951 1.00 75.00 H new ATOM 0 HH21 ARG A 17 2.686 3.502 -8.410 1.00 75.00 H new ATOM 0 HH22 ARG A 17 4.266 3.746 -9.162 1.00 75.00 H new ATOM 286 N ARG A 18 -2.515 7.358 -4.173 1.00 10.00 N ATOM 287 CA ARG A 18 -3.836 7.538 -4.790 1.00 10.00 C ATOM 288 C ARG A 18 -3.796 8.784 -5.725 1.00 10.00 C ATOM 289 O ARG A 18 -2.796 9.515 -5.739 1.00 50.00 O ATOM 290 CB ARG A 18 -4.899 7.648 -3.651 1.00 50.00 C ATOM 291 CG ARG A 18 -6.359 7.856 -4.111 1.00 50.00 C ATOM 292 CD ARG A 18 -7.390 7.681 -2.979 1.00 50.00 C ATOM 293 NE ARG A 18 -7.554 6.269 -2.572 1.00 75.00 N ATOM 294 CZ ARG A 18 -8.308 5.360 -3.221 1.00 75.00 C ATOM 295 NH1 ARG A 18 -8.976 5.676 -4.330 1.00 75.00 N ATOM 296 NH2 ARG A 18 -8.388 4.125 -2.756 1.00 75.00 N ATOM 0 H ARG A 18 -2.388 7.917 -3.329 1.00 10.00 H new ATOM 0 HA ARG A 18 -4.114 6.689 -5.414 1.00 10.00 H new ATOM 0 HB2 ARG A 18 -4.854 6.741 -3.049 1.00 50.00 H new ATOM 0 HB3 ARG A 18 -4.622 8.477 -3.000 1.00 50.00 H new ATOM 0 HG2 ARG A 18 -6.460 8.856 -4.532 1.00 50.00 H new ATOM 0 HG3 ARG A 18 -6.584 7.149 -4.910 1.00 50.00 H new ATOM 0 HD2 ARG A 18 -7.080 8.270 -2.116 1.00 50.00 H new ATOM 0 HD3 ARG A 18 -8.352 8.075 -3.305 1.00 50.00 H new ATOM 0 HE ARG A 18 -7.058 5.959 -1.736 1.00 75.00 H new ATOM 0 HH11 ARG A 18 -8.923 6.623 -4.705 1.00 75.00 H new ATOM 0 HH12 ARG A 18 -9.540 4.971 -4.804 1.00 75.00 H new ATOM 0 HH21 ARG A 18 -7.881 3.865 -1.910 1.00 75.00 H new ATOM 0 HH22 ARG A 18 -8.957 3.433 -3.243 1.00 75.00 H new ATOM 310 N HIS A 19 -4.878 8.967 -6.526 1.00 50.00 N ATOM 311 CA HIS A 19 -5.071 10.082 -7.485 1.00 50.00 C ATOM 312 C HIS A 19 -4.302 9.812 -8.786 1.00 50.00 C ATOM 313 O HIS A 19 -3.066 9.788 -8.796 1.00 75.00 O ATOM 314 CB HIS A 19 -4.709 11.475 -6.876 1.00 75.00 C ATOM 315 CG HIS A 19 -5.020 12.674 -7.749 1.00 75.00 C ATOM 316 ND1 HIS A 19 -4.083 13.635 -8.081 1.00 75.00 N ATOM 317 CD2 HIS A 19 -6.177 13.089 -8.319 1.00 75.00 C ATOM 318 CE1 HIS A 19 -4.648 14.576 -8.809 1.00 75.00 C ATOM 319 NE2 HIS A 19 -5.917 14.270 -8.969 1.00 75.00 N ATOM 0 H HIS A 19 -5.666 8.319 -6.520 1.00 50.00 H new ATOM 0 HA HIS A 19 -6.135 10.127 -7.718 1.00 50.00 H new ATOM 0 HB2 HIS A 19 -5.242 11.588 -5.932 1.00 75.00 H new ATOM 0 HB3 HIS A 19 -3.644 11.484 -6.644 1.00 75.00 H new ATOM 0 HD1 HIS A 19 -3.102 13.618 -7.804 1.00 75.00 H new ATOM 0 HD2 HIS A 19 -7.130 12.583 -8.271 1.00 75.00 H new ATOM 0 HE1 HIS A 19 -4.154 15.450 -9.207 1.00 75.00 H new ATOM 328 N GLN A 20 -5.060 9.624 -9.883 1.00 75.00 N ATOM 329 CA GLN A 20 -4.513 9.173 -11.167 1.00 75.00 C ATOM 330 C GLN A 20 -3.743 10.313 -11.862 1.00 75.00 C ATOM 331 O GLN A 20 -4.331 11.335 -12.247 1.00 75.00 O ATOM 332 CB GLN A 20 -5.638 8.614 -12.078 1.00 75.00 C ATOM 333 CG GLN A 20 -6.499 7.503 -11.429 1.00 75.00 C ATOM 334 CD GLN A 20 -5.681 6.322 -10.897 1.00 75.00 C ATOM 335 OE1 GLN A 20 -5.236 6.330 -9.752 1.00 75.00 O ATOM 336 NE2 GLN A 20 -5.484 5.297 -11.706 1.00 75.00 N ATOM 0 H GLN A 20 -6.068 9.782 -9.899 1.00 75.00 H new ATOM 0 HA GLN A 20 -3.808 8.364 -10.976 1.00 75.00 H new ATOM 0 HB2 GLN A 20 -6.291 9.436 -12.373 1.00 75.00 H new ATOM 0 HB3 GLN A 20 -5.188 8.221 -12.990 1.00 75.00 H new ATOM 0 HG2 GLN A 20 -7.074 7.934 -10.609 1.00 75.00 H new ATOM 0 HG3 GLN A 20 -7.216 7.136 -12.163 1.00 75.00 H new ATOM 0 HE21 GLN A 20 -5.864 5.314 -12.653 1.00 75.00 H new ATOM 0 HE22 GLN A 20 -4.952 4.488 -11.384 1.00 75.00 H new ATOM 345 N THR A 21 -2.420 10.129 -11.985 1.00 75.00 N ATOM 346 CA THR A 21 -1.509 11.123 -12.561 1.00 75.00 C ATOM 347 C THR A 21 -1.606 11.132 -14.110 1.00 75.00 C ATOM 348 O THR A 21 -1.007 10.302 -14.804 1.00 75.00 O ATOM 349 CB THR A 21 -0.039 10.892 -12.056 1.00 75.00 C ATOM 350 OG1 THR A 21 0.858 11.818 -12.687 1.00 75.00 O ATOM 351 CG2 THR A 21 0.463 9.452 -12.271 1.00 75.00 C ATOM 0 H THR A 21 -1.950 9.276 -11.683 1.00 75.00 H new ATOM 0 HA THR A 21 -1.813 12.112 -12.218 1.00 75.00 H new ATOM 0 HB THR A 21 -0.057 11.063 -10.980 1.00 75.00 H new ATOM 0 HG1 THR A 21 0.548 12.734 -12.528 1.00 75.00 H new ATOM 0 HG21 THR A 21 1.484 9.363 -11.900 1.00 75.00 H new ATOM 0 HG22 THR A 21 -0.181 8.758 -11.731 1.00 75.00 H new ATOM 0 HG23 THR A 21 0.442 9.214 -13.335 1.00 75.00 H new ATOM 359 N LYS A 22 -2.455 12.029 -14.639 1.00 75.00 N ATOM 360 CA LYS A 22 -2.639 12.212 -16.097 1.00 75.00 C ATOM 361 C LYS A 22 -2.033 13.552 -16.552 1.00 75.00 C ATOM 362 O LYS A 22 -1.233 13.604 -17.489 1.00 75.00 O ATOM 363 CB LYS A 22 -4.148 12.164 -16.449 1.00 75.00 C ATOM 364 CG LYS A 22 -4.844 10.843 -16.056 1.00 75.00 C ATOM 365 CD LYS A 22 -6.321 10.798 -16.508 1.00 75.00 C ATOM 366 CE LYS A 22 -7.008 9.471 -16.155 1.00 75.00 C ATOM 367 NZ LYS A 22 -8.390 9.407 -16.702 1.00 75.00 N ATOM 0 H LYS A 22 -3.034 12.649 -14.073 1.00 75.00 H new ATOM 0 HA LYS A 22 -2.125 11.404 -16.618 1.00 75.00 H new ATOM 0 HB2 LYS A 22 -4.653 12.991 -15.950 1.00 75.00 H new ATOM 0 HB3 LYS A 22 -4.265 12.319 -17.521 1.00 75.00 H new ATOM 0 HG2 LYS A 22 -4.305 10.006 -16.500 1.00 75.00 H new ATOM 0 HG3 LYS A 22 -4.794 10.717 -14.974 1.00 75.00 H new ATOM 0 HD2 LYS A 22 -6.865 11.619 -16.041 1.00 75.00 H new ATOM 0 HD3 LYS A 22 -6.372 10.953 -17.586 1.00 75.00 H new ATOM 0 HE2 LYS A 22 -6.421 8.641 -16.549 1.00 75.00 H new ATOM 0 HE3 LYS A 22 -7.039 9.354 -15.072 1.00 75.00 H new ATOM 0 HZ1 LYS A 22 -8.824 8.497 -16.444 1.00 75.00 H new ATOM 0 HZ2 LYS A 22 -8.956 10.185 -16.307 1.00 75.00 H new ATOM 0 HZ3 LYS A 22 -8.358 9.494 -17.738 1.00 75.00 H new ATOM 381 N ASN A 23 -2.440 14.633 -15.867 1.00 75.00 N ATOM 382 CA ASN A 23 -1.917 16.008 -16.082 1.00 75.00 C ATOM 383 C ASN A 23 -1.542 16.633 -14.725 1.00 50.00 C ATOM 384 O ASN A 23 -1.037 17.759 -14.662 1.00 50.00 O ATOM 385 CB ASN A 23 -2.982 16.901 -16.793 1.00 50.00 C ATOM 386 CG ASN A 23 -3.378 16.395 -18.182 1.00 75.00 C ATOM 387 OD1 ASN A 23 -4.326 15.618 -18.327 1.00 75.00 O ATOM 388 ND2 ASN A 23 -2.649 16.822 -19.212 1.00 75.00 N ATOM 0 H ASN A 23 -3.151 14.584 -15.137 1.00 75.00 H new ATOM 0 HA ASN A 23 -1.034 15.949 -16.719 1.00 75.00 H new ATOM 0 HB2 ASN A 23 -3.873 16.956 -16.168 1.00 50.00 H new ATOM 0 HB3 ASN A 23 -2.592 17.915 -16.882 1.00 50.00 H new ATOM 0 HD21 ASN A 23 -2.868 16.507 -20.157 1.00 75.00 H new ATOM 0 HD22 ASN A 23 -1.872 17.464 -19.056 1.00 75.00 H new ATOM 395 N LEU A 24 -1.809 15.878 -13.644 1.00 10.00 N ATOM 396 CA LEU A 24 -1.663 16.335 -12.249 1.00 50.00 C ATOM 397 C LEU A 24 -0.789 15.339 -11.463 1.00 50.00 C ATOM 398 O LEU A 24 -0.616 14.196 -11.893 1.00 50.00 O ATOM 399 CB LEU A 24 -3.068 16.464 -11.589 1.00 50.00 C ATOM 400 CG LEU A 24 -4.087 17.414 -12.302 1.00 75.00 C ATOM 401 CD1 LEU A 24 -5.457 17.404 -11.591 1.00 75.00 C ATOM 402 CD2 LEU A 24 -3.527 18.852 -12.424 1.00 75.00 C ATOM 0 H LEU A 24 -2.138 14.915 -13.716 1.00 10.00 H new ATOM 0 HA LEU A 24 -1.178 17.311 -12.236 1.00 50.00 H new ATOM 0 HB2 LEU A 24 -3.511 15.470 -11.531 1.00 50.00 H new ATOM 0 HB3 LEU A 24 -2.934 16.813 -10.565 1.00 50.00 H new ATOM 0 HG LEU A 24 -4.238 17.033 -13.312 1.00 75.00 H new ATOM 0 HD11 LEU A 24 -6.142 18.074 -12.111 1.00 75.00 H new ATOM 0 HD12 LEU A 24 -5.863 16.393 -11.598 1.00 75.00 H new ATOM 0 HD13 LEU A 24 -5.335 17.738 -10.561 1.00 75.00 H new ATOM 0 HD21 LEU A 24 -4.259 19.486 -12.924 1.00 75.00 H new ATOM 0 HD22 LEU A 24 -3.322 19.248 -11.429 1.00 75.00 H new ATOM 0 HD23 LEU A 24 -2.605 18.835 -13.005 1.00 75.00 H new ATOM 414 N GLU A 25 -0.278 15.776 -10.301 1.00 50.00 N ATOM 415 CA GLU A 25 0.608 14.963 -9.440 1.00 10.00 C ATOM 416 C GLU A 25 -0.208 13.930 -8.626 1.00 10.00 C ATOM 417 O GLU A 25 -1.303 14.256 -8.172 1.00 50.00 O ATOM 418 CB GLU A 25 1.380 15.892 -8.463 1.00 50.00 C ATOM 419 CG GLU A 25 2.238 16.970 -9.144 1.00 50.00 C ATOM 420 CD GLU A 25 2.898 17.912 -8.130 1.00 75.00 C ATOM 421 OE1 GLU A 25 4.028 17.624 -7.678 1.00 75.00 O ATOM 422 OE2 GLU A 25 2.283 18.932 -7.761 1.00 75.00 O ATOM 0 H GLU A 25 -0.466 16.706 -9.927 1.00 50.00 H new ATOM 0 HA GLU A 25 1.310 14.427 -10.079 1.00 10.00 H new ATOM 0 HB2 GLU A 25 0.662 16.381 -7.805 1.00 50.00 H new ATOM 0 HB3 GLU A 25 2.024 15.279 -7.833 1.00 50.00 H new ATOM 0 HG2 GLU A 25 3.009 16.491 -9.747 1.00 50.00 H new ATOM 0 HG3 GLU A 25 1.616 17.551 -9.825 1.00 50.00 H new ATOM 429 N PRO A 26 0.318 12.681 -8.409 1.00 10.00 N ATOM 430 CA PRO A 26 -0.352 11.658 -7.570 1.00 50.00 C ATOM 431 C PRO A 26 -0.019 11.842 -6.069 1.00 10.00 C ATOM 432 O PRO A 26 1.137 12.101 -5.701 1.00 50.00 O ATOM 433 CB PRO A 26 0.228 10.344 -8.143 1.00 50.00 C ATOM 434 CG PRO A 26 1.636 10.691 -8.541 1.00 50.00 C ATOM 435 CD PRO A 26 1.613 12.163 -8.955 1.00 50.00 C ATOM 0 HA PRO A 26 -1.441 11.701 -7.605 1.00 50.00 H new ATOM 0 HB2 PRO A 26 0.211 9.547 -7.400 1.00 50.00 H new ATOM 0 HB3 PRO A 26 -0.351 9.995 -8.998 1.00 50.00 H new ATOM 0 HG2 PRO A 26 2.325 10.531 -7.712 1.00 50.00 H new ATOM 0 HG3 PRO A 26 1.974 10.061 -9.363 1.00 50.00 H new ATOM 0 HD2 PRO A 26 2.464 12.705 -8.543 1.00 50.00 H new ATOM 0 HD3 PRO A 26 1.660 12.272 -10.038 1.00 50.00 H new ATOM 443 N ARG A 27 -1.029 11.708 -5.204 1.00 10.00 N ATOM 444 CA ARG A 27 -0.868 11.935 -3.756 1.00 10.00 C ATOM 445 C ARG A 27 -0.657 10.605 -3.021 1.00 10.00 C ATOM 446 O ARG A 27 -1.587 9.794 -2.908 1.00 50.00 O ATOM 447 CB ARG A 27 -2.097 12.685 -3.175 1.00 50.00 C ATOM 448 CG ARG A 27 -1.962 13.071 -1.677 1.00 50.00 C ATOM 449 CD ARG A 27 -3.170 13.861 -1.128 1.00 50.00 C ATOM 450 NE ARG A 27 -2.950 14.292 0.271 1.00 50.00 N ATOM 451 CZ ARG A 27 -2.974 15.564 0.713 1.00 75.00 C ATOM 452 NH1 ARG A 27 -3.209 16.575 -0.120 1.00 75.00 N ATOM 453 NH2 ARG A 27 -2.754 15.810 1.996 1.00 75.00 N ATOM 0 H ARG A 27 -1.974 11.442 -5.479 1.00 10.00 H new ATOM 0 HA ARG A 27 0.015 12.557 -3.607 1.00 10.00 H new ATOM 0 HB2 ARG A 27 -2.264 13.591 -3.758 1.00 50.00 H new ATOM 0 HB3 ARG A 27 -2.981 12.060 -3.298 1.00 50.00 H new ATOM 0 HG2 ARG A 27 -1.834 12.163 -1.087 1.00 50.00 H new ATOM 0 HG3 ARG A 27 -1.059 13.667 -1.544 1.00 50.00 H new ATOM 0 HD2 ARG A 27 -3.349 14.735 -1.754 1.00 50.00 H new ATOM 0 HD3 ARG A 27 -4.065 13.242 -1.182 1.00 50.00 H new ATOM 0 HE ARG A 27 -2.764 13.563 0.960 1.00 50.00 H new ATOM 0 HH11 ARG A 27 -3.374 16.392 -1.110 1.00 75.00 H new ATOM 0 HH12 ARG A 27 -3.224 17.532 0.231 1.00 75.00 H new ATOM 0 HH21 ARG A 27 -2.569 15.040 2.639 1.00 75.00 H new ATOM 0 HH22 ARG A 27 -2.770 16.770 2.341 1.00 75.00 H new ATOM 467 N TRP A 28 0.578 10.375 -2.555 1.00 10.00 N ATOM 468 CA TRP A 28 0.869 9.283 -1.616 1.00 10.00 C ATOM 469 C TRP A 28 0.331 9.651 -0.226 1.00 10.00 C ATOM 470 O TRP A 28 0.411 10.813 0.189 1.00 50.00 O ATOM 471 CB TRP A 28 2.389 8.950 -1.560 1.00 50.00 C ATOM 472 CG TRP A 28 3.300 10.109 -1.186 1.00 50.00 C ATOM 473 CD1 TRP A 28 3.910 10.976 -2.046 1.00 50.00 C ATOM 474 CD2 TRP A 28 3.708 10.517 0.136 1.00 50.00 C ATOM 475 NE1 TRP A 28 4.659 11.886 -1.353 1.00 50.00 N ATOM 476 CE2 TRP A 28 4.556 11.626 -0.015 1.00 50.00 C ATOM 477 CE3 TRP A 28 3.439 10.050 1.431 1.00 50.00 C ATOM 478 CZ2 TRP A 28 5.135 12.276 1.069 1.00 50.00 C ATOM 479 CZ3 TRP A 28 4.017 10.695 2.508 1.00 50.00 C ATOM 480 CH2 TRP A 28 4.858 11.798 2.321 1.00 50.00 C ATOM 0 H TRP A 28 1.393 10.932 -2.813 1.00 10.00 H new ATOM 0 HA TRP A 28 0.368 8.382 -1.970 1.00 10.00 H new ATOM 0 HB2 TRP A 28 2.540 8.145 -0.841 1.00 50.00 H new ATOM 0 HB3 TRP A 28 2.696 8.569 -2.534 1.00 50.00 H new ATOM 0 HD1 TRP A 28 3.815 10.947 -3.121 1.00 50.00 H new ATOM 0 HE1 TRP A 28 5.207 12.639 -1.768 1.00 50.00 H new ATOM 0 HE3 TRP A 28 2.791 9.200 1.584 1.00 50.00 H new ATOM 0 HZ2 TRP A 28 5.782 13.129 0.928 1.00 50.00 H new ATOM 0 HZ3 TRP A 28 3.817 10.343 3.509 1.00 50.00 H new ATOM 0 HH2 TRP A 28 5.297 12.281 3.181 1.00 50.00 H new ATOM 491 N LYS A 29 -0.248 8.671 0.461 1.00 10.00 N ATOM 492 CA LYS A 29 -0.710 8.808 1.856 1.00 10.00 C ATOM 493 C LYS A 29 0.011 7.775 2.715 1.00 10.00 C ATOM 494 O LYS A 29 0.314 6.682 2.224 1.00 50.00 O ATOM 495 CB LYS A 29 -2.246 8.608 1.942 1.00 50.00 C ATOM 496 CG LYS A 29 -3.080 9.726 1.268 1.00 50.00 C ATOM 497 CD LYS A 29 -4.604 9.457 1.330 1.00 50.00 C ATOM 498 CE LYS A 29 -5.131 9.326 2.773 1.00 50.00 C ATOM 499 NZ LYS A 29 -6.585 9.017 2.816 1.00 75.00 N ATOM 0 H LYS A 29 -0.416 7.745 0.068 1.00 10.00 H new ATOM 0 HA LYS A 29 -0.482 9.810 2.220 1.00 10.00 H new ATOM 0 HB2 LYS A 29 -2.501 7.654 1.481 1.00 50.00 H new ATOM 0 HB3 LYS A 29 -2.532 8.542 2.992 1.00 50.00 H new ATOM 0 HG2 LYS A 29 -2.863 10.678 1.754 1.00 50.00 H new ATOM 0 HG3 LYS A 29 -2.775 9.823 0.226 1.00 50.00 H new ATOM 0 HD2 LYS A 29 -5.132 10.268 0.828 1.00 50.00 H new ATOM 0 HD3 LYS A 29 -4.829 8.542 0.782 1.00 50.00 H new ATOM 0 HE2 LYS A 29 -4.579 8.540 3.289 1.00 50.00 H new ATOM 0 HE3 LYS A 29 -4.943 10.255 3.312 1.00 50.00 H new ATOM 0 HZ1 LYS A 29 -6.894 8.938 3.806 1.00 75.00 H new ATOM 0 HZ2 LYS A 29 -7.116 9.779 2.347 1.00 75.00 H new ATOM 0 HZ3 LYS A 29 -6.763 8.118 2.325 1.00 75.00 H new ATOM 513 N GLY A 30 0.263 8.117 3.989 1.00 10.00 N ATOM 514 CA GLY A 30 0.929 7.211 4.915 1.00 10.00 C ATOM 515 C GLY A 30 0.670 7.577 6.383 1.00 10.00 C ATOM 516 O GLY A 30 0.038 8.604 6.652 1.00 50.00 O ATOM 0 H GLY A 30 0.011 9.019 4.394 1.00 10.00 H new ATOM 0 HA2 GLY A 30 0.586 6.193 4.732 1.00 10.00 H new ATOM 0 HA3 GLY A 30 2.002 7.225 4.724 1.00 10.00 H new ATOM 520 N PRO A 31 1.156 6.755 7.371 1.00 10.00 N ATOM 521 CA PRO A 31 1.842 5.461 7.114 1.00 10.00 C ATOM 522 C PRO A 31 0.854 4.276 6.950 1.00 10.00 C ATOM 523 O PRO A 31 -0.171 4.196 7.636 1.00 50.00 O ATOM 524 CB PRO A 31 2.724 5.299 8.374 1.00 50.00 C ATOM 525 CG PRO A 31 1.929 5.940 9.477 1.00 50.00 C ATOM 526 CD PRO A 31 1.122 7.064 8.835 1.00 50.00 C ATOM 0 HA PRO A 31 2.402 5.459 6.179 1.00 10.00 H new ATOM 0 HB2 PRO A 31 2.922 4.249 8.587 1.00 50.00 H new ATOM 0 HB3 PRO A 31 3.691 5.786 8.247 1.00 50.00 H new ATOM 0 HG2 PRO A 31 1.271 5.213 9.953 1.00 50.00 H new ATOM 0 HG3 PRO A 31 2.587 6.330 10.253 1.00 50.00 H new ATOM 0 HD2 PRO A 31 0.100 7.086 9.213 1.00 50.00 H new ATOM 0 HD3 PRO A 31 1.561 8.039 9.046 1.00 50.00 H new ATOM 534 N TYR A 32 1.172 3.381 6.015 1.00 10.00 N ATOM 535 CA TYR A 32 0.426 2.129 5.775 1.00 10.00 C ATOM 536 C TYR A 32 1.363 0.931 5.955 1.00 10.00 C ATOM 537 O TYR A 32 2.572 1.116 6.102 1.00 50.00 O ATOM 538 CB TYR A 32 -0.187 2.142 4.351 1.00 50.00 C ATOM 539 CG TYR A 32 -1.376 3.095 4.174 1.00 50.00 C ATOM 540 CD1 TYR A 32 -1.197 4.430 3.838 1.00 50.00 C ATOM 541 CD2 TYR A 32 -2.685 2.649 4.365 1.00 50.00 C ATOM 542 CE1 TYR A 32 -2.277 5.280 3.691 1.00 50.00 C ATOM 543 CE2 TYR A 32 -3.764 3.496 4.223 1.00 50.00 C ATOM 544 CZ TYR A 32 -3.554 4.813 3.891 1.00 50.00 C ATOM 545 OH TYR A 32 -4.625 5.669 3.757 1.00 50.00 O ATOM 0 H TYR A 32 1.968 3.500 5.388 1.00 10.00 H new ATOM 0 HA TYR A 32 -0.388 2.046 6.495 1.00 10.00 H new ATOM 0 HB2 TYR A 32 0.590 2.416 3.638 1.00 50.00 H new ATOM 0 HB3 TYR A 32 -0.508 1.131 4.099 1.00 50.00 H new ATOM 0 HD1 TYR A 32 -0.197 4.811 3.689 1.00 50.00 H new ATOM 0 HD2 TYR A 32 -2.857 1.616 4.630 1.00 50.00 H new ATOM 0 HE1 TYR A 32 -2.117 6.313 3.419 1.00 50.00 H new ATOM 0 HE2 TYR A 32 -4.768 3.127 4.372 1.00 50.00 H new ATOM 0 HH TYR A 32 -5.457 5.181 3.930 1.00 50.00 H new ATOM 555 N THR A 33 0.799 -0.289 5.952 1.00 10.00 N ATOM 556 CA THR A 33 1.563 -1.542 6.134 1.00 10.00 C ATOM 557 C THR A 33 0.857 -2.707 5.412 1.00 10.00 C ATOM 558 O THR A 33 -0.249 -3.077 5.803 1.00 50.00 O ATOM 559 CB THR A 33 1.715 -1.910 7.668 1.00 50.00 C ATOM 560 OG1 THR A 33 0.463 -1.716 8.338 1.00 50.00 O ATOM 561 CG2 THR A 33 2.801 -1.100 8.403 1.00 50.00 C ATOM 0 H THR A 33 -0.202 -0.438 5.823 1.00 10.00 H new ATOM 0 HA THR A 33 2.554 -1.383 5.709 1.00 10.00 H new ATOM 0 HB THR A 33 2.025 -2.955 7.696 1.00 50.00 H new ATOM 0 HG1 THR A 33 0.604 -1.179 9.146 1.00 50.00 H new ATOM 0 HG21 THR A 33 2.843 -1.411 9.447 1.00 50.00 H new ATOM 0 HG22 THR A 33 3.768 -1.278 7.933 1.00 50.00 H new ATOM 0 HG23 THR A 33 2.561 -0.038 8.350 1.00 50.00 H new ATOM 569 N VAL A 34 1.487 -3.275 4.355 1.00 10.00 N ATOM 570 CA VAL A 34 1.004 -4.515 3.714 1.00 10.00 C ATOM 571 C VAL A 34 0.970 -5.655 4.755 1.00 10.00 C ATOM 572 O VAL A 34 1.985 -5.958 5.400 1.00 50.00 O ATOM 573 CB VAL A 34 1.894 -4.944 2.482 1.00 50.00 C ATOM 574 CG1 VAL A 34 1.366 -6.239 1.813 1.00 50.00 C ATOM 575 CG2 VAL A 34 1.999 -3.808 1.448 1.00 50.00 C ATOM 0 H VAL A 34 2.331 -2.891 3.931 1.00 10.00 H new ATOM 0 HA VAL A 34 0.001 -4.318 3.335 1.00 10.00 H new ATOM 0 HB VAL A 34 2.892 -5.152 2.868 1.00 50.00 H new ATOM 0 HG11 VAL A 34 2.006 -6.500 0.970 1.00 50.00 H new ATOM 0 HG12 VAL A 34 1.372 -7.052 2.539 1.00 50.00 H new ATOM 0 HG13 VAL A 34 0.348 -6.077 1.459 1.00 50.00 H new ATOM 0 HG21 VAL A 34 2.618 -4.133 0.612 1.00 50.00 H new ATOM 0 HG22 VAL A 34 1.003 -3.553 1.085 1.00 50.00 H new ATOM 0 HG23 VAL A 34 2.450 -2.932 1.914 1.00 50.00 H new ATOM 585 N LEU A 35 -0.227 -6.223 4.951 1.00 10.00 N ATOM 586 CA LEU A 35 -0.449 -7.372 5.846 1.00 10.00 C ATOM 587 C LEU A 35 -0.489 -8.672 5.022 1.00 10.00 C ATOM 588 O LEU A 35 0.082 -9.688 5.411 1.00 50.00 O ATOM 589 CB LEU A 35 -1.772 -7.176 6.632 1.00 50.00 C ATOM 590 CG LEU A 35 -1.836 -5.903 7.531 1.00 50.00 C ATOM 591 CD1 LEU A 35 -3.232 -5.735 8.159 1.00 50.00 C ATOM 592 CD2 LEU A 35 -0.737 -5.922 8.617 1.00 50.00 C ATOM 0 H LEU A 35 -1.077 -5.897 4.490 1.00 10.00 H new ATOM 0 HA LEU A 35 0.370 -7.442 6.562 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -2.596 -7.138 5.919 1.00 50.00 H new ATOM 0 HB3 LEU A 35 -1.934 -8.052 7.260 1.00 50.00 H new ATOM 0 HG LEU A 35 -1.651 -5.041 6.891 1.00 50.00 H new ATOM 0 HD11 LEU A 35 -3.246 -4.839 8.780 1.00 50.00 H new ATOM 0 HD12 LEU A 35 -3.977 -5.641 7.369 1.00 50.00 H new ATOM 0 HD13 LEU A 35 -3.462 -6.606 8.773 1.00 50.00 H new ATOM 0 HD21 LEU A 35 -0.811 -5.020 9.225 1.00 50.00 H new ATOM 0 HD22 LEU A 35 -0.867 -6.799 9.251 1.00 50.00 H new ATOM 0 HD23 LEU A 35 0.243 -5.960 8.142 1.00 50.00 H new ATOM 604 N LEU A 36 -1.149 -8.608 3.862 1.00 10.00 N ATOM 605 CA LEU A 36 -1.359 -9.773 2.982 1.00 10.00 C ATOM 606 C LEU A 36 -0.988 -9.419 1.533 1.00 10.00 C ATOM 607 O LEU A 36 -1.193 -8.287 1.084 1.00 50.00 O ATOM 608 CB LEU A 36 -2.837 -10.248 3.070 1.00 50.00 C ATOM 609 CG LEU A 36 -3.306 -11.316 2.023 1.00 50.00 C ATOM 610 CD1 LEU A 36 -2.550 -12.640 2.204 1.00 50.00 C ATOM 611 CD2 LEU A 36 -4.835 -11.514 2.078 1.00 50.00 C ATOM 0 H LEU A 36 -1.556 -7.745 3.501 1.00 10.00 H new ATOM 0 HA LEU A 36 -0.713 -10.587 3.312 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -3.003 -10.656 4.067 1.00 50.00 H new ATOM 0 HB3 LEU A 36 -3.480 -9.373 2.973 1.00 50.00 H new ATOM 0 HG LEU A 36 -3.064 -10.941 1.028 1.00 50.00 H new ATOM 0 HD11 LEU A 36 -2.897 -13.361 1.464 1.00 50.00 H new ATOM 0 HD12 LEU A 36 -1.481 -12.470 2.072 1.00 50.00 H new ATOM 0 HD13 LEU A 36 -2.734 -13.030 3.205 1.00 50.00 H new ATOM 0 HD21 LEU A 36 -5.132 -12.260 1.341 1.00 50.00 H new ATOM 0 HD22 LEU A 36 -5.122 -11.853 3.073 1.00 50.00 H new ATOM 0 HD23 LEU A 36 -5.332 -10.569 1.858 1.00 50.00 H new ATOM 623 N THR A 37 -0.442 -10.408 0.824 1.00 10.00 N ATOM 624 CA THR A 37 -0.123 -10.320 -0.599 1.00 10.00 C ATOM 625 C THR A 37 -0.982 -11.313 -1.394 1.00 10.00 C ATOM 626 O THR A 37 -1.230 -12.431 -0.933 1.00 50.00 O ATOM 627 CB THR A 37 1.391 -10.641 -0.843 1.00 50.00 C ATOM 628 OG1 THR A 37 1.729 -11.916 -0.275 1.00 50.00 O ATOM 629 CG2 THR A 37 2.295 -9.577 -0.231 1.00 50.00 C ATOM 0 H THR A 37 -0.205 -11.312 1.233 1.00 10.00 H new ATOM 0 HA THR A 37 -0.333 -9.304 -0.934 1.00 10.00 H new ATOM 0 HB THR A 37 1.547 -10.658 -1.922 1.00 50.00 H new ATOM 0 HG1 THR A 37 2.533 -11.825 0.278 1.00 50.00 H new ATOM 0 HG21 THR A 37 3.338 -9.833 -0.420 1.00 50.00 H new ATOM 0 HG22 THR A 37 2.072 -8.609 -0.679 1.00 50.00 H new ATOM 0 HG23 THR A 37 2.123 -9.528 0.844 1.00 50.00 H new ATOM 637 N THR A 38 -1.439 -10.879 -2.567 1.00 10.00 N ATOM 638 CA THR A 38 -2.015 -11.743 -3.618 1.00 10.00 C ATOM 639 C THR A 38 -1.475 -11.222 -4.979 1.00 10.00 C ATOM 640 O THR A 38 -1.022 -10.068 -5.040 1.00 50.00 O ATOM 641 CB THR A 38 -3.596 -11.758 -3.598 1.00 50.00 C ATOM 642 OG1 THR A 38 -4.109 -10.425 -3.645 1.00 50.00 O ATOM 643 CG2 THR A 38 -4.180 -12.474 -2.365 1.00 50.00 C ATOM 0 H THR A 38 -1.422 -9.893 -2.828 1.00 10.00 H new ATOM 0 HA THR A 38 -1.717 -12.777 -3.446 1.00 10.00 H new ATOM 0 HB THR A 38 -3.903 -12.317 -4.482 1.00 50.00 H new ATOM 0 HG1 THR A 38 -3.364 -9.788 -3.646 1.00 50.00 H new ATOM 0 HG21 THR A 38 -5.269 -12.449 -2.412 1.00 50.00 H new ATOM 0 HG22 THR A 38 -3.841 -13.510 -2.351 1.00 50.00 H new ATOM 0 HG23 THR A 38 -3.844 -11.970 -1.459 1.00 50.00 H new ATOM 651 N PRO A 39 -1.456 -12.060 -6.073 1.00 10.00 N ATOM 652 CA PRO A 39 -0.953 -11.626 -7.412 1.00 10.00 C ATOM 653 C PRO A 39 -1.570 -10.286 -7.910 1.00 10.00 C ATOM 654 O PRO A 39 -2.772 -10.222 -8.194 1.00 50.00 O ATOM 655 CB PRO A 39 -1.341 -12.817 -8.327 1.00 50.00 C ATOM 656 CG PRO A 39 -1.312 -14.009 -7.412 1.00 50.00 C ATOM 657 CD PRO A 39 -1.866 -13.502 -6.092 1.00 50.00 C ATOM 0 HA PRO A 39 0.116 -11.411 -7.397 1.00 10.00 H new ATOM 0 HB2 PRO A 39 -2.328 -12.676 -8.767 1.00 50.00 H new ATOM 0 HB3 PRO A 39 -0.638 -12.931 -9.152 1.00 50.00 H new ATOM 0 HG2 PRO A 39 -1.917 -14.825 -7.807 1.00 50.00 H new ATOM 0 HG3 PRO A 39 -0.298 -14.392 -7.294 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -2.949 -13.612 -6.042 1.00 50.00 H new ATOM 0 HD3 PRO A 39 -1.451 -14.049 -5.246 1.00 50.00 H new ATOM 665 N THR A 40 -0.716 -9.223 -7.926 1.00 10.00 N ATOM 666 CA THR A 40 -1.025 -7.867 -8.461 1.00 10.00 C ATOM 667 C THR A 40 -1.967 -7.036 -7.525 1.00 10.00 C ATOM 668 O THR A 40 -2.357 -5.894 -7.846 1.00 50.00 O ATOM 669 CB THR A 40 -1.580 -7.946 -9.935 1.00 50.00 C ATOM 670 OG1 THR A 40 -0.827 -8.924 -10.677 1.00 50.00 O ATOM 671 CG2 THR A 40 -1.478 -6.602 -10.685 1.00 50.00 C ATOM 0 H THR A 40 0.232 -9.289 -7.556 1.00 10.00 H new ATOM 0 HA THR A 40 -0.081 -7.323 -8.489 1.00 10.00 H new ATOM 0 HB THR A 40 -2.633 -8.217 -9.860 1.00 50.00 H new ATOM 0 HG1 THR A 40 -1.171 -8.976 -11.593 1.00 50.00 H new ATOM 0 HG21 THR A 40 -1.875 -6.717 -11.694 1.00 50.00 H new ATOM 0 HG22 THR A 40 -2.053 -5.844 -10.153 1.00 50.00 H new ATOM 0 HG23 THR A 40 -0.434 -6.294 -10.739 1.00 50.00 H new ATOM 679 N ALA A 41 -2.281 -7.586 -6.335 1.00 10.00 N ATOM 680 CA ALA A 41 -3.166 -6.923 -5.356 1.00 10.00 C ATOM 681 C ALA A 41 -2.635 -7.147 -3.928 1.00 10.00 C ATOM 682 O ALA A 41 -2.436 -8.283 -3.507 1.00 50.00 O ATOM 683 CB ALA A 41 -4.604 -7.454 -5.500 1.00 50.00 C ATOM 0 H ALA A 41 -1.932 -8.494 -6.027 1.00 10.00 H new ATOM 0 HA ALA A 41 -3.178 -5.851 -5.551 1.00 10.00 H new ATOM 0 HB1 ALA A 41 -5.249 -6.959 -4.774 1.00 50.00 H new ATOM 0 HB2 ALA A 41 -4.968 -7.250 -6.507 1.00 50.00 H new ATOM 0 HB3 ALA A 41 -4.614 -8.529 -5.321 1.00 50.00 H new ATOM 689 N LEU A 42 -2.396 -6.060 -3.180 1.00 10.00 N ATOM 690 CA LEU A 42 -1.849 -6.130 -1.815 1.00 10.00 C ATOM 691 C LEU A 42 -2.916 -5.656 -0.820 1.00 10.00 C ATOM 692 O LEU A 42 -3.452 -4.554 -0.967 1.00 50.00 O ATOM 693 CB LEU A 42 -0.553 -5.261 -1.696 1.00 50.00 C ATOM 694 CG LEU A 42 0.595 -5.598 -2.708 1.00 50.00 C ATOM 695 CD1 LEU A 42 1.846 -4.733 -2.454 1.00 50.00 C ATOM 696 CD2 LEU A 42 0.955 -7.101 -2.691 1.00 50.00 C ATOM 0 H LEU A 42 -2.576 -5.109 -3.502 1.00 10.00 H new ATOM 0 HA LEU A 42 -1.579 -7.161 -1.586 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -0.828 -4.214 -1.825 1.00 50.00 H new ATOM 0 HB3 LEU A 42 -0.161 -5.365 -0.684 1.00 50.00 H new ATOM 0 HG LEU A 42 0.218 -5.360 -3.703 1.00 50.00 H new ATOM 0 HD11 LEU A 42 2.621 -4.994 -3.174 1.00 50.00 H new ATOM 0 HD12 LEU A 42 1.588 -3.680 -2.564 1.00 50.00 H new ATOM 0 HD13 LEU A 42 2.214 -4.913 -1.444 1.00 50.00 H new ATOM 0 HD21 LEU A 42 1.755 -7.292 -3.407 1.00 50.00 H new ATOM 0 HD22 LEU A 42 1.287 -7.384 -1.692 1.00 50.00 H new ATOM 0 HD23 LEU A 42 0.078 -7.688 -2.962 1.00 50.00 H new ATOM 708 N LYS A 43 -3.221 -6.493 0.180 1.00 10.00 N ATOM 709 CA LYS A 43 -4.131 -6.127 1.267 1.00 10.00 C ATOM 710 C LYS A 43 -3.315 -5.367 2.316 1.00 10.00 C ATOM 711 O LYS A 43 -2.472 -5.948 3.013 1.00 50.00 O ATOM 712 CB LYS A 43 -4.775 -7.392 1.885 1.00 50.00 C ATOM 713 CG LYS A 43 -5.679 -7.131 3.124 1.00 50.00 C ATOM 714 CD LYS A 43 -6.345 -8.415 3.662 1.00 50.00 C ATOM 715 CE LYS A 43 -7.312 -8.130 4.819 1.00 50.00 C ATOM 716 NZ LYS A 43 -6.650 -7.490 5.995 1.00 75.00 N ATOM 0 H LYS A 43 -2.845 -7.438 0.256 1.00 10.00 H new ATOM 0 HA LYS A 43 -4.941 -5.501 0.892 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -5.369 -7.890 1.119 1.00 50.00 H new ATOM 0 HB3 LYS A 43 -3.982 -8.082 2.172 1.00 50.00 H new ATOM 0 HG2 LYS A 43 -5.081 -6.679 3.915 1.00 50.00 H new ATOM 0 HG3 LYS A 43 -6.452 -6.411 2.858 1.00 50.00 H new ATOM 0 HD2 LYS A 43 -6.885 -8.907 2.853 1.00 50.00 H new ATOM 0 HD3 LYS A 43 -5.574 -9.108 3.999 1.00 50.00 H new ATOM 0 HE2 LYS A 43 -8.113 -7.481 4.463 1.00 50.00 H new ATOM 0 HE3 LYS A 43 -7.776 -9.064 5.135 1.00 50.00 H new ATOM 0 HZ1 LYS A 43 -7.343 -7.370 6.761 1.00 75.00 H new ATOM 0 HZ2 LYS A 43 -5.870 -8.094 6.326 1.00 75.00 H new ATOM 0 HZ3 LYS A 43 -6.275 -6.560 5.719 1.00 75.00 H new ATOM 730 N VAL A 44 -3.567 -4.063 2.391 1.00 10.00 N ATOM 731 CA VAL A 44 -2.809 -3.129 3.221 1.00 10.00 C ATOM 732 C VAL A 44 -3.675 -2.699 4.422 1.00 10.00 C ATOM 733 O VAL A 44 -4.900 -2.620 4.298 1.00 50.00 O ATOM 734 CB VAL A 44 -2.380 -1.880 2.355 1.00 50.00 C ATOM 735 CG1 VAL A 44 -1.484 -0.925 3.150 1.00 50.00 C ATOM 736 CG2 VAL A 44 -1.682 -2.313 1.034 1.00 50.00 C ATOM 0 H VAL A 44 -4.319 -3.616 1.866 1.00 10.00 H new ATOM 0 HA VAL A 44 -1.906 -3.610 3.598 1.00 10.00 H new ATOM 0 HB VAL A 44 -3.293 -1.346 2.094 1.00 50.00 H new ATOM 0 HG11 VAL A 44 -1.208 -0.077 2.522 1.00 50.00 H new ATOM 0 HG12 VAL A 44 -2.022 -0.567 4.028 1.00 50.00 H new ATOM 0 HG13 VAL A 44 -0.583 -1.450 3.466 1.00 50.00 H new ATOM 0 HG21 VAL A 44 -1.401 -1.428 0.464 1.00 50.00 H new ATOM 0 HG22 VAL A 44 -0.789 -2.893 1.267 1.00 50.00 H new ATOM 0 HG23 VAL A 44 -2.366 -2.922 0.444 1.00 50.00 H new ATOM 746 N ASP A 45 -3.043 -2.451 5.582 1.00 10.00 N ATOM 747 CA ASP A 45 -3.740 -1.996 6.799 1.00 10.00 C ATOM 748 C ASP A 45 -4.282 -0.570 6.610 1.00 10.00 C ATOM 749 O ASP A 45 -3.598 0.281 6.053 1.00 50.00 O ATOM 750 CB ASP A 45 -2.793 -2.053 8.014 1.00 50.00 C ATOM 751 CG ASP A 45 -3.457 -1.587 9.316 1.00 50.00 C ATOM 752 OD1 ASP A 45 -4.509 -2.158 9.683 1.00 50.00 O ATOM 753 OD2 ASP A 45 -2.946 -0.663 9.984 1.00 50.00 O ATOM 0 H ASP A 45 -2.036 -2.560 5.703 1.00 10.00 H new ATOM 0 HA ASP A 45 -4.582 -2.663 6.983 1.00 10.00 H new ATOM 0 HB2 ASP A 45 -2.435 -3.075 8.141 1.00 50.00 H new ATOM 0 HB3 ASP A 45 -1.919 -1.432 7.816 1.00 50.00 H new ATOM 758 N GLY A 46 -5.510 -0.336 7.089 1.00 10.00 N ATOM 759 CA GLY A 46 -6.252 0.893 6.802 1.00 10.00 C ATOM 760 C GLY A 46 -7.245 0.676 5.673 1.00 10.00 C ATOM 761 O GLY A 46 -8.374 1.173 5.719 1.00 50.00 O ATOM 0 H GLY A 46 -6.014 -0.993 7.685 1.00 10.00 H new ATOM 0 HA2 GLY A 46 -6.780 1.221 7.697 1.00 10.00 H new ATOM 0 HA3 GLY A 46 -5.557 1.688 6.532 1.00 10.00 H new ATOM 765 N ILE A 47 -6.819 -0.109 4.671 1.00 10.00 N ATOM 766 CA ILE A 47 -7.630 -0.445 3.492 1.00 10.00 C ATOM 767 C ILE A 47 -8.613 -1.585 3.834 1.00 10.00 C ATOM 768 O ILE A 47 -8.325 -2.417 4.707 1.00 50.00 O ATOM 769 CB ILE A 47 -6.699 -0.866 2.295 1.00 50.00 C ATOM 770 CG1 ILE A 47 -5.594 0.214 2.042 1.00 50.00 C ATOM 771 CG2 ILE A 47 -7.503 -1.156 1.008 1.00 50.00 C ATOM 772 CD1 ILE A 47 -6.102 1.617 1.741 1.00 50.00 C ATOM 0 H ILE A 47 -5.891 -0.533 4.657 1.00 10.00 H new ATOM 0 HA ILE A 47 -8.202 0.434 3.195 1.00 10.00 H new ATOM 0 HB ILE A 47 -6.208 -1.797 2.578 1.00 50.00 H new ATOM 0 HG12 ILE A 47 -4.949 0.261 2.920 1.00 50.00 H new ATOM 0 HG13 ILE A 47 -4.974 -0.115 1.208 1.00 50.00 H new ATOM 0 HG21 ILE A 47 -6.819 -1.443 0.209 1.00 50.00 H new ATOM 0 HG22 ILE A 47 -8.206 -1.968 1.193 1.00 50.00 H new ATOM 0 HG23 ILE A 47 -8.052 -0.262 0.713 1.00 50.00 H new ATOM 0 HD11 ILE A 47 -5.255 2.284 1.582 1.00 50.00 H new ATOM 0 HD12 ILE A 47 -6.720 1.595 0.843 1.00 50.00 H new ATOM 0 HD13 ILE A 47 -6.695 1.977 2.581 1.00 50.00 H new ATOM 784 N ALA A 48 -9.758 -1.606 3.132 1.00 10.00 N ATOM 785 CA ALA A 48 -10.839 -2.565 3.383 1.00 10.00 C ATOM 786 C ALA A 48 -10.427 -4.017 3.071 1.00 10.00 C ATOM 787 O ALA A 48 -10.585 -4.895 3.926 1.00 50.00 O ATOM 788 CB ALA A 48 -12.084 -2.162 2.581 1.00 50.00 C ATOM 0 H ALA A 48 -9.958 -0.955 2.373 1.00 10.00 H new ATOM 0 HA ALA A 48 -11.069 -2.534 4.448 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -12.885 -2.876 2.770 1.00 50.00 H new ATOM 0 HB2 ALA A 48 -12.406 -1.166 2.886 1.00 50.00 H new ATOM 0 HB3 ALA A 48 -11.846 -2.157 1.517 1.00 50.00 H new ATOM 794 N ALA A 49 -9.873 -4.260 1.863 1.00 10.00 N ATOM 795 CA ALA A 49 -9.540 -5.631 1.414 1.00 10.00 C ATOM 796 C ALA A 49 -8.328 -5.681 0.452 1.00 10.00 C ATOM 797 O ALA A 49 -7.452 -6.508 0.644 1.00 50.00 O ATOM 798 CB ALA A 49 -10.772 -6.298 0.785 1.00 50.00 C ATOM 0 H ALA A 49 -9.648 -3.531 1.186 1.00 10.00 H new ATOM 0 HA ALA A 49 -9.242 -6.191 2.301 1.00 10.00 H new ATOM 0 HB1 ALA A 49 -10.514 -7.306 0.459 1.00 50.00 H new ATOM 0 HB2 ALA A 49 -11.574 -6.349 1.522 1.00 50.00 H new ATOM 0 HB3 ALA A 49 -11.104 -5.713 -0.073 1.00 50.00 H new ATOM 804 N TRP A 50 -8.306 -4.862 -0.625 1.00 10.00 N ATOM 805 CA TRP A 50 -7.154 -4.856 -1.592 1.00 10.00 C ATOM 806 C TRP A 50 -6.845 -3.449 -2.133 1.00 10.00 C ATOM 807 O TRP A 50 -7.714 -2.575 -2.179 1.00 50.00 O ATOM 808 CB TRP A 50 -7.395 -5.806 -2.811 1.00 50.00 C ATOM 809 CG TRP A 50 -7.451 -7.287 -2.491 1.00 50.00 C ATOM 810 CD1 TRP A 50 -6.390 -8.129 -2.284 1.00 50.00 C ATOM 811 CD2 TRP A 50 -8.631 -8.096 -2.358 1.00 50.00 C ATOM 812 NE1 TRP A 50 -6.840 -9.402 -2.040 1.00 50.00 N ATOM 813 CE2 TRP A 50 -8.208 -9.408 -2.075 1.00 50.00 C ATOM 814 CE3 TRP A 50 -10.001 -7.830 -2.451 1.00 50.00 C ATOM 815 CZ2 TRP A 50 -9.108 -10.452 -1.887 1.00 50.00 C ATOM 816 CZ3 TRP A 50 -10.894 -8.866 -2.263 1.00 50.00 C ATOM 817 CH2 TRP A 50 -10.446 -10.162 -1.982 1.00 50.00 C ATOM 0 H TRP A 50 -9.051 -4.204 -0.855 1.00 10.00 H new ATOM 0 HA TRP A 50 -6.302 -5.215 -1.014 1.00 10.00 H new ATOM 0 HB2 TRP A 50 -8.332 -5.521 -3.290 1.00 50.00 H new ATOM 0 HB3 TRP A 50 -6.601 -5.640 -3.539 1.00 50.00 H new ATOM 0 HD1 TRP A 50 -5.351 -7.834 -2.309 1.00 50.00 H new ATOM 0 HE1 TRP A 50 -6.249 -10.214 -1.861 1.00 50.00 H new ATOM 0 HE3 TRP A 50 -10.354 -6.832 -2.666 1.00 50.00 H new ATOM 0 HZ2 TRP A 50 -8.766 -11.454 -1.674 1.00 50.00 H new ATOM 0 HZ3 TRP A 50 -11.954 -8.674 -2.334 1.00 50.00 H new ATOM 0 HH2 TRP A 50 -11.169 -10.951 -1.837 1.00 50.00 H new ATOM 828 N ILE A 51 -5.573 -3.265 -2.544 1.00 10.00 N ATOM 829 CA ILE A 51 -5.098 -2.159 -3.398 1.00 10.00 C ATOM 830 C ILE A 51 -4.294 -2.778 -4.553 1.00 10.00 C ATOM 831 O ILE A 51 -3.454 -3.636 -4.302 1.00 50.00 O ATOM 832 CB ILE A 51 -4.181 -1.143 -2.591 1.00 50.00 C ATOM 833 CG1 ILE A 51 -5.004 -0.340 -1.542 1.00 50.00 C ATOM 834 CG2 ILE A 51 -3.404 -0.179 -3.524 1.00 50.00 C ATOM 835 CD1 ILE A 51 -6.073 0.584 -2.118 1.00 50.00 C ATOM 0 H ILE A 51 -4.824 -3.905 -2.281 1.00 10.00 H new ATOM 0 HA ILE A 51 -5.955 -1.595 -3.767 1.00 10.00 H new ATOM 0 HB ILE A 51 -3.446 -1.749 -2.061 1.00 50.00 H new ATOM 0 HG12 ILE A 51 -5.484 -1.046 -0.864 1.00 50.00 H new ATOM 0 HG13 ILE A 51 -4.315 0.257 -0.944 1.00 50.00 H new ATOM 0 HG21 ILE A 51 -2.793 0.495 -2.923 1.00 50.00 H new ATOM 0 HG22 ILE A 51 -2.762 -0.756 -4.190 1.00 50.00 H new ATOM 0 HG23 ILE A 51 -4.111 0.403 -4.116 1.00 50.00 H new ATOM 0 HD11 ILE A 51 -6.588 1.096 -1.305 1.00 50.00 H new ATOM 0 HD12 ILE A 51 -5.604 1.320 -2.771 1.00 50.00 H new ATOM 0 HD13 ILE A 51 -6.792 -0.003 -2.690 1.00 50.00 H new ATOM 847 N HIS A 52 -4.541 -2.350 -5.804 1.00 10.00 N ATOM 848 CA HIS A 52 -3.714 -2.764 -6.961 1.00 10.00 C ATOM 849 C HIS A 52 -2.270 -2.263 -6.722 1.00 10.00 C ATOM 850 O HIS A 52 -2.077 -1.061 -6.521 1.00 50.00 O ATOM 851 CB HIS A 52 -4.305 -2.157 -8.259 1.00 50.00 C ATOM 852 CG HIS A 52 -3.745 -2.704 -9.546 1.00 50.00 C ATOM 853 ND1 HIS A 52 -2.533 -2.324 -10.078 1.00 50.00 N ATOM 854 CD2 HIS A 52 -4.266 -3.598 -10.425 1.00 50.00 C ATOM 855 CE1 HIS A 52 -2.337 -2.954 -11.219 1.00 50.00 C ATOM 856 NE2 HIS A 52 -3.371 -3.730 -11.452 1.00 50.00 N ATOM 0 H HIS A 52 -5.305 -1.718 -6.044 1.00 10.00 H new ATOM 0 HA HIS A 52 -3.707 -3.849 -7.068 1.00 10.00 H new ATOM 0 HB2 HIS A 52 -5.383 -2.317 -8.256 1.00 50.00 H new ATOM 0 HB3 HIS A 52 -4.143 -1.079 -8.242 1.00 50.00 H new ATOM 0 HD2 HIS A 52 -5.212 -4.110 -10.331 1.00 50.00 H new ATOM 0 HE1 HIS A 52 -1.471 -2.850 -11.856 1.00 50.00 H new ATOM 0 HE2 HIS A 52 -3.488 -4.333 -12.266 1.00 50.00 H new ATOM 865 N ALA A 53 -1.290 -3.191 -6.765 1.00 10.00 N ATOM 866 CA ALA A 53 0.093 -2.985 -6.243 1.00 10.00 C ATOM 867 C ALA A 53 0.840 -1.766 -6.841 1.00 10.00 C ATOM 868 O ALA A 53 1.800 -1.279 -6.239 1.00 50.00 O ATOM 869 CB ALA A 53 0.917 -4.285 -6.407 1.00 50.00 C ATOM 0 H ALA A 53 -1.431 -4.118 -7.167 1.00 10.00 H new ATOM 0 HA ALA A 53 -0.017 -2.745 -5.186 1.00 10.00 H new ATOM 0 HB1 ALA A 53 1.925 -4.127 -6.024 1.00 50.00 H new ATOM 0 HB2 ALA A 53 0.439 -5.091 -5.850 1.00 50.00 H new ATOM 0 HB3 ALA A 53 0.968 -4.553 -7.462 1.00 50.00 H new ATOM 875 N ALA A 54 0.388 -1.268 -8.001 1.00 10.00 N ATOM 876 CA ALA A 54 0.983 -0.081 -8.663 1.00 10.00 C ATOM 877 C ALA A 54 0.691 1.239 -7.899 1.00 10.00 C ATOM 878 O ALA A 54 1.295 2.276 -8.184 1.00 50.00 O ATOM 879 CB ALA A 54 0.492 -0.007 -10.110 1.00 50.00 C ATOM 0 H ALA A 54 -0.398 -1.670 -8.512 1.00 10.00 H new ATOM 0 HA ALA A 54 2.067 -0.198 -8.654 1.00 10.00 H new ATOM 0 HB1 ALA A 54 0.928 0.865 -10.598 1.00 50.00 H new ATOM 0 HB2 ALA A 54 0.792 -0.909 -10.643 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -0.595 0.077 -10.122 1.00 50.00 H new ATOM 885 N HIS A 55 -0.251 1.184 -6.944 1.00 10.00 N ATOM 886 CA HIS A 55 -0.550 2.306 -6.021 1.00 10.00 C ATOM 887 C HIS A 55 0.220 2.154 -4.705 1.00 10.00 C ATOM 888 O HIS A 55 0.138 3.013 -3.843 1.00 50.00 O ATOM 889 CB HIS A 55 -2.063 2.370 -5.708 1.00 50.00 C ATOM 890 CG HIS A 55 -2.930 2.630 -6.899 1.00 50.00 C ATOM 891 ND1 HIS A 55 -3.143 3.889 -7.401 1.00 50.00 N ATOM 892 CD2 HIS A 55 -3.629 1.790 -7.693 1.00 50.00 C ATOM 893 CE1 HIS A 55 -3.923 3.813 -8.451 1.00 50.00 C ATOM 894 NE2 HIS A 55 -4.236 2.552 -8.651 1.00 50.00 N ATOM 0 H HIS A 55 -0.832 0.361 -6.785 1.00 10.00 H new ATOM 0 HA HIS A 55 -0.240 3.226 -6.517 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -2.367 1.428 -5.251 1.00 50.00 H new ATOM 0 HB3 HIS A 55 -2.236 3.153 -4.970 1.00 50.00 H new ATOM 0 HD1 HIS A 55 -2.755 4.750 -7.017 1.00 50.00 H new ATOM 0 HD2 HIS A 55 -3.696 0.717 -7.590 1.00 50.00 H new ATOM 0 HE1 HIS A 55 -4.254 4.647 -9.052 1.00 50.00 H new ATOM 903 N VAL A 56 0.952 1.050 -4.552 1.00 10.00 N ATOM 904 CA VAL A 56 1.707 0.765 -3.328 1.00 10.00 C ATOM 905 C VAL A 56 3.175 1.164 -3.540 1.00 10.00 C ATOM 906 O VAL A 56 3.783 0.786 -4.544 1.00 50.00 O ATOM 907 CB VAL A 56 1.598 -0.759 -2.950 1.00 50.00 C ATOM 908 CG1 VAL A 56 2.443 -1.096 -1.706 1.00 50.00 C ATOM 909 CG2 VAL A 56 0.120 -1.180 -2.746 1.00 50.00 C ATOM 0 H VAL A 56 1.039 0.330 -5.269 1.00 10.00 H new ATOM 0 HA VAL A 56 1.289 1.343 -2.504 1.00 10.00 H new ATOM 0 HB VAL A 56 2.000 -1.331 -3.786 1.00 50.00 H new ATOM 0 HG11 VAL A 56 2.343 -2.157 -1.475 1.00 50.00 H new ATOM 0 HG12 VAL A 56 3.490 -0.865 -1.903 1.00 50.00 H new ATOM 0 HG13 VAL A 56 2.095 -0.506 -0.859 1.00 50.00 H new ATOM 0 HG21 VAL A 56 0.076 -2.238 -2.486 1.00 50.00 H new ATOM 0 HG22 VAL A 56 -0.319 -0.590 -1.942 1.00 50.00 H new ATOM 0 HG23 VAL A 56 -0.437 -1.009 -3.667 1.00 50.00 H new ATOM 919 N LYS A 57 3.721 1.953 -2.605 1.00 10.00 N ATOM 920 CA LYS A 57 5.123 2.400 -2.640 1.00 10.00 C ATOM 921 C LYS A 57 5.813 2.013 -1.323 1.00 10.00 C ATOM 922 O LYS A 57 5.361 2.427 -0.258 1.00 50.00 O ATOM 923 CB LYS A 57 5.192 3.941 -2.850 1.00 50.00 C ATOM 924 CG LYS A 57 6.636 4.500 -2.898 1.00 50.00 C ATOM 925 CD LYS A 57 6.700 6.045 -2.940 1.00 50.00 C ATOM 926 CE LYS A 57 8.148 6.574 -2.919 1.00 50.00 C ATOM 927 NZ LYS A 57 8.208 8.051 -2.730 1.00 75.00 N ATOM 0 H LYS A 57 3.202 2.301 -1.799 1.00 10.00 H new ATOM 0 HA LYS A 57 5.635 1.916 -3.472 1.00 10.00 H new ATOM 0 HB2 LYS A 57 4.683 4.195 -3.780 1.00 50.00 H new ATOM 0 HB3 LYS A 57 4.648 4.433 -2.044 1.00 50.00 H new ATOM 0 HG2 LYS A 57 7.183 4.145 -2.025 1.00 50.00 H new ATOM 0 HG3 LYS A 57 7.143 4.100 -3.776 1.00 50.00 H new ATOM 0 HD2 LYS A 57 6.199 6.402 -3.839 1.00 50.00 H new ATOM 0 HD3 LYS A 57 6.155 6.452 -2.088 1.00 50.00 H new ATOM 0 HE2 LYS A 57 8.700 6.085 -2.116 1.00 50.00 H new ATOM 0 HE3 LYS A 57 8.643 6.309 -3.853 1.00 50.00 H new ATOM 0 HZ1 LYS A 57 8.653 8.490 -3.561 1.00 75.00 H new ATOM 0 HZ2 LYS A 57 7.245 8.426 -2.615 1.00 75.00 H new ATOM 0 HZ3 LYS A 57 8.768 8.270 -1.881 1.00 75.00 H new ATOM 941 N ALA A 58 6.905 1.229 -1.416 1.00 10.00 N ATOM 942 CA ALA A 58 7.695 0.788 -0.245 1.00 10.00 C ATOM 943 C ALA A 58 8.258 1.998 0.534 1.00 10.00 C ATOM 944 O ALA A 58 8.953 2.841 -0.044 1.00 50.00 O ATOM 945 CB ALA A 58 8.827 -0.156 -0.695 1.00 50.00 C ATOM 0 H ALA A 58 7.266 0.882 -2.305 1.00 10.00 H new ATOM 0 HA ALA A 58 7.036 0.242 0.430 1.00 10.00 H new ATOM 0 HB1 ALA A 58 9.402 -0.475 0.174 1.00 50.00 H new ATOM 0 HB2 ALA A 58 8.399 -1.029 -1.187 1.00 50.00 H new ATOM 0 HB3 ALA A 58 9.482 0.367 -1.391 1.00 50.00 H new ATOM 951 N ALA A 59 7.938 2.077 1.839 1.00 10.00 N ATOM 952 CA ALA A 59 8.284 3.229 2.697 1.00 10.00 C ATOM 953 C ALA A 59 8.992 2.767 3.981 1.00 10.00 C ATOM 954 O ALA A 59 8.609 1.767 4.586 1.00 50.00 O ATOM 955 CB ALA A 59 7.013 4.012 3.042 1.00 50.00 C ATOM 0 H ALA A 59 7.430 1.342 2.331 1.00 10.00 H new ATOM 0 HA ALA A 59 8.970 3.877 2.151 1.00 10.00 H new ATOM 0 HB1 ALA A 59 7.270 4.862 3.675 1.00 50.00 H new ATOM 0 HB2 ALA A 59 6.546 4.371 2.125 1.00 50.00 H new ATOM 0 HB3 ALA A 59 6.318 3.361 3.572 1.00 50.00 H new ATOM 961 N ASP A 60 10.039 3.505 4.375 1.00 10.00 N ATOM 962 CA ASP A 60 10.835 3.218 5.578 1.00 10.00 C ATOM 963 C ASP A 60 10.255 4.012 6.778 1.00 50.00 C ATOM 964 O ASP A 60 10.215 5.248 6.726 1.00 50.00 O ATOM 965 CB ASP A 60 12.328 3.577 5.291 1.00 50.00 C ATOM 966 CG ASP A 60 13.349 3.198 6.387 1.00 50.00 C ATOM 967 OD1 ASP A 60 12.984 2.631 7.442 1.00 50.00 O ATOM 968 OD2 ASP A 60 14.550 3.475 6.189 1.00 75.00 O ATOM 0 H ASP A 60 10.361 4.326 3.863 1.00 10.00 H new ATOM 0 HA ASP A 60 10.789 2.160 5.836 1.00 10.00 H new ATOM 0 HB2 ASP A 60 12.625 3.087 4.364 1.00 50.00 H new ATOM 0 HB3 ASP A 60 12.394 4.651 5.119 1.00 50.00 H new ATOM 973 N PRO A 61 9.785 3.312 7.870 1.00 50.00 N ATOM 974 CA PRO A 61 9.226 3.975 9.074 1.00 50.00 C ATOM 975 C PRO A 61 10.290 4.353 10.130 1.00 50.00 C ATOM 976 O PRO A 61 9.963 4.987 11.145 1.00 75.00 O ATOM 977 CB PRO A 61 8.270 2.891 9.617 1.00 75.00 C ATOM 978 CG PRO A 61 8.955 1.595 9.301 1.00 75.00 C ATOM 979 CD PRO A 61 9.724 1.820 8.006 1.00 50.00 C ATOM 0 HA PRO A 61 8.756 4.930 8.838 1.00 50.00 H new ATOM 0 HB2 PRO A 61 8.109 3.004 10.689 1.00 75.00 H new ATOM 0 HB3 PRO A 61 7.292 2.950 9.140 1.00 75.00 H new ATOM 0 HG2 PRO A 61 9.629 1.305 10.107 1.00 75.00 H new ATOM 0 HG3 PRO A 61 8.229 0.790 9.187 1.00 75.00 H new ATOM 0 HD2 PRO A 61 10.722 1.383 8.054 1.00 50.00 H new ATOM 0 HD3 PRO A 61 9.216 1.363 7.157 1.00 50.00 H new ATOM 987 N GLY A 62 11.552 3.949 9.884 1.00 50.00 N ATOM 988 CA GLY A 62 12.633 4.098 10.861 1.00 50.00 C ATOM 989 C GLY A 62 12.592 3.022 11.943 1.00 75.00 C ATOM 990 O GLY A 62 13.221 3.165 12.994 1.00 75.00 O ATOM 0 H GLY A 62 11.843 3.515 9.008 1.00 50.00 H new ATOM 0 HA2 GLY A 62 13.593 4.055 10.346 1.00 50.00 H new ATOM 0 HA3 GLY A 62 12.565 5.081 11.327 1.00 50.00 H new ATOM 994 N GLY A 63 11.827 1.949 11.678 1.00 75.00 N ATOM 995 CA GLY A 63 11.674 0.846 12.619 1.00 75.00 C ATOM 996 C GLY A 63 10.705 -0.206 12.095 1.00 75.00 C ATOM 997 O GLY A 63 11.125 -1.157 11.433 1.00 75.00 O ATOM 0 H GLY A 63 11.304 1.830 10.810 1.00 75.00 H new ATOM 0 HA2 GLY A 63 12.645 0.387 12.804 1.00 75.00 H new ATOM 0 HA3 GLY A 63 11.315 1.229 13.574 1.00 75.00 H new ATOM 1001 N GLY A 64 9.403 -0.014 12.366 1.00 75.00 N ATOM 1002 CA GLY A 64 8.367 -0.959 11.944 1.00 75.00 C ATOM 1003 C GLY A 64 6.983 -0.574 12.470 1.00 75.00 C ATOM 1004 O GLY A 64 6.797 0.571 12.913 1.00 75.00 O ATOM 0 H GLY A 64 9.046 0.793 12.878 1.00 75.00 H new ATOM 0 HA2 GLY A 64 8.340 -1.004 10.855 1.00 75.00 H new ATOM 0 HA3 GLY A 64 8.623 -1.958 12.298 1.00 75.00 H new ATOM 1008 N PRO A 65 5.976 -1.506 12.417 1.00 75.00 N ATOM 1009 CA PRO A 65 4.620 -1.268 12.973 1.00 75.00 C ATOM 1010 C PRO A 65 4.669 -1.001 14.493 1.00 75.00 C ATOM 1011 O PRO A 65 4.929 -1.913 15.289 1.00 75.00 O ATOM 1012 CB PRO A 65 3.850 -2.580 12.648 1.00 75.00 C ATOM 1013 CG PRO A 65 4.637 -3.228 11.546 1.00 75.00 C ATOM 1014 CD PRO A 65 6.080 -2.855 11.800 1.00 75.00 C ATOM 0 HA PRO A 65 4.142 -0.386 12.547 1.00 75.00 H new ATOM 0 HB2 PRO A 65 3.787 -3.228 13.522 1.00 75.00 H new ATOM 0 HB3 PRO A 65 2.828 -2.370 12.333 1.00 75.00 H new ATOM 0 HG2 PRO A 65 4.505 -4.310 11.555 1.00 75.00 H new ATOM 0 HG3 PRO A 65 4.307 -2.874 10.569 1.00 75.00 H new ATOM 0 HD2 PRO A 65 6.569 -3.566 12.466 1.00 75.00 H new ATOM 0 HD3 PRO A 65 6.659 -2.833 10.877 1.00 75.00 H new ATOM 1022 N SER A 66 4.440 0.256 14.873 1.00 75.00 N ATOM 1023 CA SER A 66 4.472 0.699 16.278 1.00 75.00 C ATOM 1024 C SER A 66 3.150 0.386 17.008 1.00 75.00 C ATOM 1025 O SER A 66 3.008 0.701 18.195 1.00 75.00 O ATOM 1026 CB SER A 66 4.801 2.211 16.318 1.00 75.00 C ATOM 1027 OG SER A 66 6.007 2.489 15.613 1.00 75.00 O ATOM 0 H SER A 66 4.225 1.005 14.215 1.00 75.00 H new ATOM 0 HA SER A 66 5.249 0.147 16.808 1.00 75.00 H new ATOM 0 HB2 SER A 66 3.980 2.777 15.879 1.00 75.00 H new ATOM 0 HB3 SER A 66 4.897 2.539 17.353 1.00 75.00 H new ATOM 0 HG SER A 66 6.194 3.450 15.650 1.00 75.00 H new ATOM 1033 N SER A 67 2.191 -0.245 16.298 1.00 75.00 N ATOM 1034 CA SER A 67 0.902 -0.658 16.875 1.00 75.00 C ATOM 1035 C SER A 67 0.677 -2.166 16.668 1.00 75.00 C ATOM 1036 O SER A 67 1.325 -2.795 15.818 1.00 75.00 O ATOM 1037 CB SER A 67 -0.243 0.158 16.239 1.00 75.00 C ATOM 1038 OG SER A 67 -1.476 -0.076 16.894 1.00 75.00 O ATOM 0 H SER A 67 2.292 -0.480 15.311 1.00 75.00 H new ATOM 0 HA SER A 67 0.916 -0.463 17.947 1.00 75.00 H new ATOM 0 HB2 SER A 67 -0.002 1.220 16.284 1.00 75.00 H new ATOM 0 HB3 SER A 67 -0.335 -0.104 15.185 1.00 75.00 H new ATOM 0 HG SER A 67 -2.179 0.457 16.468 1.00 75.00 H new ATOM 1044 N ARG A 68 -0.273 -2.726 17.441 1.00 75.00 N ATOM 1045 CA ARG A 68 -0.600 -4.157 17.417 1.00 75.00 C ATOM 1046 C ARG A 68 -1.644 -4.394 16.307 1.00 75.00 C ATOM 1047 O ARG A 68 -2.851 -4.264 16.544 1.00 75.00 O ATOM 1048 CB ARG A 68 -1.137 -4.644 18.814 1.00 75.00 C ATOM 1049 CG ARG A 68 -0.145 -4.548 20.011 1.00 75.00 C ATOM 1050 CD ARG A 68 0.195 -3.099 20.420 1.00 75.00 C ATOM 1051 NE ARG A 68 1.085 -3.026 21.590 1.00 75.00 N ATOM 1052 CZ ARG A 68 1.543 -1.888 22.138 1.00 75.00 C ATOM 1053 NH1 ARG A 68 1.212 -0.699 21.629 1.00 75.00 N ATOM 1054 NH2 ARG A 68 2.324 -1.941 23.209 1.00 75.00 N ATOM 0 H ARG A 68 -0.836 -2.191 18.102 1.00 75.00 H new ATOM 0 HA ARG A 68 0.300 -4.736 17.209 1.00 75.00 H new ATOM 0 HB2 ARG A 68 -2.026 -4.062 19.060 1.00 75.00 H new ATOM 0 HB3 ARG A 68 -1.453 -5.682 18.715 1.00 75.00 H new ATOM 0 HG2 ARG A 68 -0.573 -5.067 20.869 1.00 75.00 H new ATOM 0 HG3 ARG A 68 0.777 -5.068 19.750 1.00 75.00 H new ATOM 0 HD2 ARG A 68 0.667 -2.591 19.579 1.00 75.00 H new ATOM 0 HD3 ARG A 68 -0.728 -2.563 20.639 1.00 75.00 H new ATOM 0 HE ARG A 68 1.376 -3.905 22.017 1.00 75.00 H new ATOM 0 HH11 ARG A 68 0.603 -0.645 20.812 1.00 75.00 H new ATOM 0 HH12 ARG A 68 1.568 0.156 22.057 1.00 75.00 H new ATOM 0 HH21 ARG A 68 2.575 -2.843 23.613 1.00 75.00 H new ATOM 0 HH22 ARG A 68 2.674 -1.079 23.628 1.00 75.00 H new ATOM 1068 N LEU A 69 -1.165 -4.691 15.090 1.00 75.00 N ATOM 1069 CA LEU A 69 -2.023 -4.842 13.895 1.00 75.00 C ATOM 1070 C LEU A 69 -2.642 -6.256 13.838 1.00 75.00 C ATOM 1071 O LEU A 69 -2.467 -7.060 14.762 1.00 75.00 O ATOM 1072 CB LEU A 69 -1.196 -4.566 12.603 1.00 75.00 C ATOM 1073 CG LEU A 69 -0.425 -3.207 12.546 1.00 75.00 C ATOM 1074 CD1 LEU A 69 0.357 -3.069 11.226 1.00 75.00 C ATOM 1075 CD2 LEU A 69 -1.367 -2.005 12.766 1.00 75.00 C ATOM 0 H LEU A 69 -0.173 -4.834 14.902 1.00 75.00 H new ATOM 0 HA LEU A 69 -2.833 -4.116 13.961 1.00 75.00 H new ATOM 0 HB2 LEU A 69 -0.474 -5.373 12.481 1.00 75.00 H new ATOM 0 HB3 LEU A 69 -1.872 -4.611 11.749 1.00 75.00 H new ATOM 0 HG LEU A 69 0.295 -3.206 13.365 1.00 75.00 H new ATOM 0 HD11 LEU A 69 0.884 -2.115 11.213 1.00 75.00 H new ATOM 0 HD12 LEU A 69 1.078 -3.883 11.143 1.00 75.00 H new ATOM 0 HD13 LEU A 69 -0.336 -3.112 10.386 1.00 75.00 H new ATOM 0 HD21 LEU A 69 -0.793 -1.080 12.719 1.00 75.00 H new ATOM 0 HD22 LEU A 69 -2.133 -1.997 11.991 1.00 75.00 H new ATOM 0 HD23 LEU A 69 -1.841 -2.089 13.744 1.00 75.00 H new ATOM 1087 N THR A 70 -3.370 -6.554 12.743 1.00 75.00 N ATOM 1088 CA THR A 70 -3.913 -7.893 12.490 1.00 75.00 C ATOM 1089 C THR A 70 -2.810 -8.765 11.835 1.00 75.00 C ATOM 1090 O THR A 70 -2.862 -9.093 10.645 1.00 75.00 O ATOM 1091 CB THR A 70 -5.220 -7.807 11.618 1.00 75.00 C ATOM 1092 OG1 THR A 70 -4.943 -7.192 10.354 1.00 75.00 O ATOM 1093 CG2 THR A 70 -6.327 -7.003 12.333 1.00 75.00 C ATOM 0 H THR A 70 -3.594 -5.874 12.016 1.00 75.00 H new ATOM 0 HA THR A 70 -4.205 -8.366 13.428 1.00 75.00 H new ATOM 0 HB THR A 70 -5.570 -8.828 11.464 1.00 75.00 H new ATOM 0 HG1 THR A 70 -5.766 -7.148 9.824 1.00 75.00 H new ATOM 0 HG21 THR A 70 -7.214 -6.965 11.701 1.00 75.00 H new ATOM 0 HG22 THR A 70 -6.575 -7.486 13.278 1.00 75.00 H new ATOM 0 HG23 THR A 70 -5.974 -5.990 12.525 1.00 75.00 H new ATOM 1101 N TRP A 71 -1.778 -9.075 12.652 1.00 75.00 N ATOM 1102 CA TRP A 71 -0.543 -9.770 12.220 1.00 75.00 C ATOM 1103 C TRP A 71 -0.806 -11.210 11.741 1.00 75.00 C ATOM 1104 O TRP A 71 0.000 -11.772 11.001 1.00 75.00 O ATOM 1105 CB TRP A 71 0.504 -9.775 13.381 1.00 75.00 C ATOM 1106 CG TRP A 71 -0.021 -10.310 14.706 1.00 75.00 C ATOM 1107 CD1 TRP A 71 -0.444 -11.583 14.982 1.00 75.00 C ATOM 1108 CD2 TRP A 71 -0.167 -9.581 15.931 1.00 75.00 C ATOM 1109 NE1 TRP A 71 -0.874 -11.674 16.273 1.00 75.00 N ATOM 1110 CE2 TRP A 71 -0.709 -10.466 16.882 1.00 75.00 C ATOM 1111 CE3 TRP A 71 0.098 -8.265 16.312 1.00 75.00 C ATOM 1112 CZ2 TRP A 71 -0.987 -10.078 18.187 1.00 75.00 C ATOM 1113 CZ3 TRP A 71 -0.173 -7.885 17.607 1.00 75.00 C ATOM 1114 CH2 TRP A 71 -0.713 -8.785 18.533 1.00 75.00 C ATOM 0 H TRP A 71 -1.779 -8.846 13.646 1.00 75.00 H new ATOM 0 HA TRP A 71 -0.149 -9.217 11.367 1.00 75.00 H new ATOM 0 HB2 TRP A 71 1.362 -10.375 13.076 1.00 75.00 H new ATOM 0 HB3 TRP A 71 0.864 -8.757 13.532 1.00 75.00 H new ATOM 0 HD1 TRP A 71 -0.438 -12.400 14.276 1.00 75.00 H new ATOM 0 HE1 TRP A 71 -1.257 -12.511 16.712 1.00 75.00 H new ATOM 0 HE3 TRP A 71 0.508 -7.559 15.605 1.00 75.00 H new ATOM 0 HZ2 TRP A 71 -1.404 -10.773 18.901 1.00 75.00 H new ATOM 0 HZ3 TRP A 71 0.035 -6.871 17.915 1.00 75.00 H new ATOM 0 HH2 TRP A 71 -0.917 -8.451 19.540 1.00 75.00 H new ATOM 1125 N ARG A 72 -1.918 -11.803 12.204 1.00 75.00 N ATOM 1126 CA ARG A 72 -2.240 -13.210 11.939 1.00 75.00 C ATOM 1127 C ARG A 72 -2.609 -13.419 10.460 1.00 75.00 C ATOM 1128 O ARG A 72 -1.979 -14.249 9.807 1.00 75.00 O ATOM 1129 CB ARG A 72 -3.346 -13.718 12.908 1.00 75.00 C ATOM 1130 CG ARG A 72 -4.674 -12.926 12.893 1.00 75.00 C ATOM 1131 CD ARG A 72 -5.694 -13.461 13.908 1.00 75.00 C ATOM 1132 NE ARG A 72 -7.012 -12.813 13.777 1.00 75.00 N ATOM 1133 CZ ARG A 72 -8.066 -13.013 14.592 1.00 75.00 C ATOM 1134 NH1 ARG A 72 -7.984 -13.849 15.629 1.00 75.00 N ATOM 1135 NH2 ARG A 72 -9.200 -12.362 14.355 1.00 75.00 N ATOM 0 H ARG A 72 -2.616 -11.320 12.771 1.00 75.00 H new ATOM 0 HA ARG A 72 -1.352 -13.813 12.131 1.00 75.00 H new ATOM 0 HB2 ARG A 72 -3.563 -14.758 12.667 1.00 75.00 H new ATOM 0 HB3 ARG A 72 -2.948 -13.703 13.923 1.00 75.00 H new ATOM 0 HG2 ARG A 72 -4.469 -11.877 13.108 1.00 75.00 H new ATOM 0 HG3 ARG A 72 -5.106 -12.968 11.893 1.00 75.00 H new ATOM 0 HD2 ARG A 72 -5.806 -14.537 13.773 1.00 75.00 H new ATOM 0 HD3 ARG A 72 -5.314 -13.304 14.918 1.00 75.00 H new ATOM 0 HE ARG A 72 -7.136 -12.158 13.005 1.00 75.00 H new ATOM 0 HH11 ARG A 72 -7.114 -14.348 15.814 1.00 75.00 H new ATOM 0 HH12 ARG A 72 -8.791 -13.989 16.236 1.00 75.00 H new ATOM 0 HH21 ARG A 72 -9.264 -11.721 13.564 1.00 75.00 H new ATOM 0 HH22 ARG A 72 -10.006 -12.504 14.964 1.00 75.00 H new ATOM 1149 N VAL A 73 -3.587 -12.623 9.951 1.00 75.00 N ATOM 1150 CA VAL A 73 -4.078 -12.663 8.551 1.00 75.00 C ATOM 1151 C VAL A 73 -4.744 -14.014 8.154 1.00 75.00 C ATOM 1152 O VAL A 73 -5.899 -14.021 7.715 1.00 75.00 O ATOM 1153 CB VAL A 73 -2.980 -12.235 7.504 1.00 75.00 C ATOM 1154 CG1 VAL A 73 -3.499 -12.332 6.047 1.00 75.00 C ATOM 1155 CG2 VAL A 73 -2.463 -10.810 7.811 1.00 50.00 C ATOM 0 H VAL A 73 -4.065 -11.921 10.517 1.00 75.00 H new ATOM 0 HA VAL A 73 -4.869 -11.913 8.519 1.00 75.00 H new ATOM 0 HB VAL A 73 -2.149 -12.935 7.596 1.00 75.00 H new ATOM 0 HG11 VAL A 73 -2.710 -12.028 5.359 1.00 75.00 H new ATOM 0 HG12 VAL A 73 -3.791 -13.360 5.833 1.00 75.00 H new ATOM 0 HG13 VAL A 73 -4.361 -11.676 5.923 1.00 75.00 H new ATOM 0 HG21 VAL A 73 -1.706 -10.532 7.078 1.00 50.00 H new ATOM 0 HG22 VAL A 73 -3.292 -10.104 7.762 1.00 50.00 H new ATOM 0 HG23 VAL A 73 -2.026 -10.789 8.810 1.00 50.00 H new ATOM 1165 N GLN A 74 -3.983 -15.123 8.243 1.00 75.00 N ATOM 1166 CA GLN A 74 -4.468 -16.510 8.059 1.00 75.00 C ATOM 1167 C GLN A 74 -5.728 -16.798 8.920 1.00 75.00 C ATOM 1168 O GLN A 74 -5.644 -17.269 10.057 1.00 75.00 O ATOM 1169 CB GLN A 74 -3.291 -17.489 8.375 1.00 75.00 C ATOM 1170 CG GLN A 74 -3.587 -19.006 8.249 1.00 75.00 C ATOM 1171 CD GLN A 74 -4.211 -19.412 6.914 1.00 75.00 C ATOM 1172 OE1 GLN A 74 -3.513 -19.644 5.932 1.00 75.00 O ATOM 1173 NE2 GLN A 74 -5.534 -19.532 6.876 1.00 75.00 N ATOM 0 H GLN A 74 -2.985 -15.080 8.451 1.00 75.00 H new ATOM 0 HA GLN A 74 -4.784 -16.656 7.026 1.00 75.00 H new ATOM 0 HB2 GLN A 74 -2.462 -17.249 7.709 1.00 75.00 H new ATOM 0 HB3 GLN A 74 -2.951 -17.293 9.392 1.00 75.00 H new ATOM 0 HG2 GLN A 74 -2.658 -19.559 8.386 1.00 75.00 H new ATOM 0 HG3 GLN A 74 -4.257 -19.303 9.056 1.00 75.00 H new ATOM 0 HE21 GLN A 74 -6.088 -19.332 7.709 1.00 75.00 H new ATOM 0 HE22 GLN A 74 -5.995 -19.824 6.014 1.00 75.00 H new ATOM 1182 N ARG A 75 -6.897 -16.450 8.351 1.00 75.00 N ATOM 1183 CA ARG A 75 -8.214 -16.521 9.031 1.00 75.00 C ATOM 1184 C ARG A 75 -9.353 -16.790 8.031 1.00 75.00 C ATOM 1185 O ARG A 75 -10.504 -16.947 8.449 1.00 75.00 O ATOM 1186 CB ARG A 75 -8.502 -15.182 9.804 1.00 75.00 C ATOM 1187 CG ARG A 75 -7.716 -14.973 11.125 1.00 75.00 C ATOM 1188 CD ARG A 75 -8.202 -15.880 12.277 1.00 75.00 C ATOM 1189 NE ARG A 75 -7.958 -17.315 12.037 1.00 75.00 N ATOM 1190 CZ ARG A 75 -8.619 -18.328 12.630 1.00 75.00 C ATOM 1191 NH1 ARG A 75 -9.576 -18.089 13.529 1.00 75.00 N ATOM 1192 NH2 ARG A 75 -8.313 -19.582 12.308 1.00 75.00 N ATOM 0 H ARG A 75 -6.960 -16.106 7.393 1.00 75.00 H new ATOM 0 HA ARG A 75 -8.173 -17.351 9.737 1.00 75.00 H new ATOM 0 HB2 ARG A 75 -8.282 -14.348 9.138 1.00 75.00 H new ATOM 0 HB3 ARG A 75 -9.568 -15.138 10.028 1.00 75.00 H new ATOM 0 HG2 ARG A 75 -6.658 -15.163 10.944 1.00 75.00 H new ATOM 0 HG3 ARG A 75 -7.804 -13.931 11.431 1.00 75.00 H new ATOM 0 HD2 ARG A 75 -7.701 -15.583 13.199 1.00 75.00 H new ATOM 0 HD3 ARG A 75 -9.270 -15.721 12.429 1.00 75.00 H new ATOM 0 HE ARG A 75 -7.229 -17.560 11.367 1.00 75.00 H new ATOM 0 HH11 ARG A 75 -9.816 -17.129 13.776 1.00 75.00 H new ATOM 0 HH12 ARG A 75 -10.068 -18.867 13.969 1.00 75.00 H new ATOM 0 HH21 ARG A 75 -7.585 -19.768 11.619 1.00 75.00 H new ATOM 0 HH22 ARG A 75 -8.807 -20.357 12.750 1.00 75.00 H new ATOM 1206 N SER A 76 -9.041 -16.832 6.717 1.00 75.00 N ATOM 1207 CA SER A 76 -10.074 -16.919 5.671 1.00 75.00 C ATOM 1208 C SER A 76 -9.525 -17.547 4.375 1.00 75.00 C ATOM 1209 O SER A 76 -8.827 -16.875 3.599 1.00 75.00 O ATOM 1210 CB SER A 76 -10.663 -15.509 5.390 1.00 75.00 C ATOM 1211 OG SER A 76 -11.719 -15.570 4.451 1.00 75.00 O ATOM 0 H SER A 76 -8.086 -16.807 6.360 1.00 75.00 H new ATOM 0 HA SER A 76 -10.867 -17.572 6.035 1.00 75.00 H new ATOM 0 HB2 SER A 76 -11.026 -15.072 6.320 1.00 75.00 H new ATOM 0 HB3 SER A 76 -9.878 -14.853 5.015 1.00 75.00 H new ATOM 0 HG SER A 76 -12.071 -14.669 4.295 1.00 75.00 H new ATOM 1217 N GLN A 77 -9.810 -18.858 4.195 1.00 75.00 N ATOM 1218 CA GLN A 77 -9.615 -19.593 2.925 1.00 75.00 C ATOM 1219 C GLN A 77 -8.131 -19.669 2.513 1.00 75.00 C ATOM 1220 O GLN A 77 -7.814 -19.739 1.320 1.00 75.00 O ATOM 1221 CB GLN A 77 -10.510 -18.987 1.795 1.00 75.00 C ATOM 1222 CG GLN A 77 -12.020 -19.017 2.108 1.00 75.00 C ATOM 1223 CD GLN A 77 -12.892 -18.579 0.931 1.00 75.00 C ATOM 1224 OE1 GLN A 77 -13.202 -17.397 0.767 1.00 75.00 O ATOM 1225 NE2 GLN A 77 -13.276 -19.525 0.095 1.00 75.00 N ATOM 0 H GLN A 77 -10.188 -19.443 4.940 1.00 75.00 H new ATOM 0 HA GLN A 77 -9.934 -20.623 3.088 1.00 75.00 H new ATOM 0 HB2 GLN A 77 -10.206 -17.955 1.619 1.00 75.00 H new ATOM 0 HB3 GLN A 77 -10.330 -19.535 0.870 1.00 75.00 H new ATOM 0 HG2 GLN A 77 -12.302 -20.027 2.404 1.00 75.00 H new ATOM 0 HG3 GLN A 77 -12.220 -18.368 2.960 1.00 75.00 H new ATOM 0 HE21 GLN A 77 -13.002 -20.494 0.260 1.00 75.00 H new ATOM 0 HE22 GLN A 77 -13.847 -19.288 -0.716 1.00 75.00 H new ATOM 1234 N ASN A 78 -7.248 -19.703 3.532 1.00 75.00 N ATOM 1235 CA ASN A 78 -5.780 -19.790 3.373 1.00 75.00 C ATOM 1236 C ASN A 78 -5.226 -18.607 2.549 1.00 75.00 C ATOM 1237 O ASN A 78 -4.864 -18.780 1.385 1.00 75.00 O ATOM 1238 CB ASN A 78 -5.350 -21.163 2.774 1.00 75.00 C ATOM 1239 CG ASN A 78 -5.764 -22.364 3.637 1.00 75.00 C ATOM 1240 OD1 ASN A 78 -5.913 -22.249 4.856 1.00 75.00 O ATOM 1241 ND2 ASN A 78 -5.917 -23.531 3.025 1.00 75.00 N ATOM 0 H ASN A 78 -7.540 -19.670 4.509 1.00 75.00 H new ATOM 0 HA ASN A 78 -5.341 -19.721 4.368 1.00 75.00 H new ATOM 0 HB2 ASN A 78 -5.788 -21.271 1.782 1.00 75.00 H new ATOM 0 HB3 ASN A 78 -4.267 -21.172 2.648 1.00 75.00 H new ATOM 0 HD21 ASN A 78 -6.164 -24.361 3.564 1.00 75.00 H new ATOM 0 HD22 ASN A 78 -5.788 -23.598 2.015 1.00 75.00 H new ATOM 1248 N PRO A 79 -5.216 -17.364 3.126 1.00 75.00 N ATOM 1249 CA PRO A 79 -4.698 -16.169 2.427 1.00 75.00 C ATOM 1250 C PRO A 79 -3.151 -16.127 2.421 1.00 75.00 C ATOM 1251 O PRO A 79 -2.549 -15.684 1.448 1.00 75.00 O ATOM 1252 CB PRO A 79 -5.321 -15.001 3.227 1.00 75.00 C ATOM 1253 CG PRO A 79 -5.472 -15.529 4.621 1.00 75.00 C ATOM 1254 CD PRO A 79 -5.723 -17.020 4.484 1.00 75.00 C ATOM 0 HA PRO A 79 -4.962 -16.141 1.370 1.00 75.00 H new ATOM 0 HB2 PRO A 79 -4.679 -14.120 3.205 1.00 75.00 H new ATOM 0 HB3 PRO A 79 -6.283 -14.705 2.810 1.00 75.00 H new ATOM 0 HG2 PRO A 79 -4.574 -15.338 5.209 1.00 75.00 H new ATOM 0 HG3 PRO A 79 -6.300 -15.040 5.135 1.00 75.00 H new ATOM 0 HD2 PRO A 79 -5.199 -17.583 5.257 1.00 75.00 H new ATOM 0 HD3 PRO A 79 -6.783 -17.254 4.582 1.00 75.00 H new ATOM 1262 N LEU A 80 -2.522 -16.589 3.520 1.00 75.00 N ATOM 1263 CA LEU A 80 -1.050 -16.659 3.641 1.00 75.00 C ATOM 1264 C LEU A 80 -0.503 -17.957 3.020 1.00 75.00 C ATOM 1265 O LEU A 80 -1.275 -18.811 2.564 1.00 75.00 O ATOM 1266 CB LEU A 80 -0.623 -16.557 5.133 1.00 75.00 C ATOM 1267 CG LEU A 80 -0.841 -15.175 5.827 1.00 75.00 C ATOM 1268 CD1 LEU A 80 -0.296 -15.192 7.272 1.00 75.00 C ATOM 1269 CD2 LEU A 80 -0.205 -14.023 5.015 1.00 75.00 C ATOM 0 H LEU A 80 -3.017 -16.923 4.347 1.00 75.00 H new ATOM 0 HA LEU A 80 -0.628 -15.816 3.094 1.00 75.00 H new ATOM 0 HB2 LEU A 80 -1.170 -17.312 5.697 1.00 75.00 H new ATOM 0 HB3 LEU A 80 0.435 -16.811 5.203 1.00 75.00 H new ATOM 0 HG LEU A 80 -1.915 -14.996 5.867 1.00 75.00 H new ATOM 0 HD11 LEU A 80 -0.460 -14.218 7.734 1.00 75.00 H new ATOM 0 HD12 LEU A 80 -0.815 -15.959 7.848 1.00 75.00 H new ATOM 0 HD13 LEU A 80 0.772 -15.411 7.256 1.00 75.00 H new ATOM 0 HD21 LEU A 80 -0.377 -13.077 5.529 1.00 75.00 H new ATOM 0 HD22 LEU A 80 0.867 -14.194 4.919 1.00 75.00 H new ATOM 0 HD23 LEU A 80 -0.656 -13.984 4.023 1.00 75.00 H new ATOM 1281 N LYS A 81 0.847 -18.065 3.013 1.00 75.00 N ATOM 1282 CA LYS A 81 1.591 -19.267 2.562 1.00 75.00 C ATOM 1283 C LYS A 81 1.375 -19.506 1.033 1.00 75.00 C ATOM 1284 O LYS A 81 1.428 -20.635 0.534 1.00 75.00 O ATOM 1285 CB LYS A 81 1.199 -20.496 3.464 1.00 75.00 C ATOM 1286 CG LYS A 81 2.128 -21.737 3.370 1.00 75.00 C ATOM 1287 CD LYS A 81 1.833 -22.820 4.442 1.00 75.00 C ATOM 1288 CE LYS A 81 0.388 -23.347 4.398 1.00 75.00 C ATOM 1289 NZ LYS A 81 0.007 -23.882 3.058 1.00 75.00 N ATOM 0 H LYS A 81 1.458 -17.310 3.324 1.00 75.00 H new ATOM 0 HA LYS A 81 2.664 -19.118 2.685 1.00 75.00 H new ATOM 0 HB2 LYS A 81 1.173 -20.165 4.502 1.00 75.00 H new ATOM 0 HB3 LYS A 81 0.187 -20.805 3.202 1.00 75.00 H new ATOM 0 HG2 LYS A 81 2.027 -22.181 2.380 1.00 75.00 H new ATOM 0 HG3 LYS A 81 3.164 -21.413 3.469 1.00 75.00 H new ATOM 0 HD2 LYS A 81 2.520 -23.654 4.303 1.00 75.00 H new ATOM 0 HD3 LYS A 81 2.031 -22.405 5.430 1.00 75.00 H new ATOM 0 HE2 LYS A 81 0.270 -24.132 5.144 1.00 75.00 H new ATOM 0 HE3 LYS A 81 -0.295 -22.543 4.671 1.00 75.00 H new ATOM 0 HZ1 LYS A 81 -0.964 -24.254 3.096 1.00 75.00 H new ATOM 0 HZ2 LYS A 81 0.059 -23.120 2.352 1.00 75.00 H new ATOM 0 HZ3 LYS A 81 0.660 -24.646 2.791 1.00 75.00 H new ATOM 1303 N ILE A 82 1.204 -18.385 0.282 1.00 75.00 N ATOM 1304 CA ILE A 82 0.974 -18.405 -1.189 1.00 75.00 C ATOM 1305 C ILE A 82 2.284 -18.594 -1.987 1.00 75.00 C ATOM 1306 O ILE A 82 2.275 -18.502 -3.223 1.00 75.00 O ATOM 1307 CB ILE A 82 0.264 -17.090 -1.695 1.00 75.00 C ATOM 1308 CG1 ILE A 82 1.150 -15.823 -1.420 1.00 75.00 C ATOM 1309 CG2 ILE A 82 -1.139 -16.946 -1.066 1.00 75.00 C ATOM 1310 CD1 ILE A 82 0.727 -14.575 -2.180 1.00 75.00 C ATOM 0 H ILE A 82 1.222 -17.445 0.677 1.00 75.00 H new ATOM 0 HA ILE A 82 0.322 -19.260 -1.367 1.00 75.00 H new ATOM 0 HB ILE A 82 0.138 -17.170 -2.775 1.00 75.00 H new ATOM 0 HG12 ILE A 82 1.129 -15.606 -0.352 1.00 75.00 H new ATOM 0 HG13 ILE A 82 2.183 -16.056 -1.677 1.00 75.00 H new ATOM 0 HG21 ILE A 82 -1.609 -16.032 -1.430 1.00 75.00 H new ATOM 0 HG22 ILE A 82 -1.752 -17.804 -1.343 1.00 75.00 H new ATOM 0 HG23 ILE A 82 -1.048 -16.900 0.019 1.00 75.00 H new ATOM 0 HD11 ILE A 82 1.395 -13.752 -1.928 1.00 75.00 H new ATOM 0 HD12 ILE A 82 0.777 -14.767 -3.252 1.00 75.00 H new ATOM 0 HD13 ILE A 82 -0.294 -14.311 -1.906 1.00 75.00 H new ATOM 1322 N ARG A 83 3.401 -18.835 -1.272 1.00 75.00 N ATOM 1323 CA ARG A 83 4.714 -19.140 -1.859 1.00 75.00 C ATOM 1324 C ARG A 83 4.703 -20.574 -2.448 1.00 75.00 C ATOM 1325 O ARG A 83 5.368 -21.492 -1.945 1.00 75.00 O ATOM 1326 CB ARG A 83 5.795 -18.954 -0.752 1.00 75.00 C ATOM 1327 CG ARG A 83 6.035 -17.480 -0.329 1.00 75.00 C ATOM 1328 CD ARG A 83 6.850 -17.345 0.983 1.00 75.00 C ATOM 1329 NE ARG A 83 5.997 -17.561 2.178 1.00 75.00 N ATOM 1330 CZ ARG A 83 6.233 -18.423 3.191 1.00 75.00 C ATOM 1331 NH1 ARG A 83 7.318 -19.197 3.214 1.00 75.00 N ATOM 1332 NH2 ARG A 83 5.358 -18.501 4.187 1.00 75.00 N ATOM 0 H ARG A 83 3.412 -18.822 -0.252 1.00 75.00 H new ATOM 0 HA ARG A 83 4.947 -18.465 -2.682 1.00 75.00 H new ATOM 0 HB2 ARG A 83 5.500 -19.528 0.127 1.00 75.00 H new ATOM 0 HB3 ARG A 83 6.736 -19.375 -1.106 1.00 75.00 H new ATOM 0 HG2 ARG A 83 6.560 -16.960 -1.130 1.00 75.00 H new ATOM 0 HG3 ARG A 83 5.073 -16.984 -0.204 1.00 75.00 H new ATOM 0 HD2 ARG A 83 7.666 -18.068 0.982 1.00 75.00 H new ATOM 0 HD3 ARG A 83 7.302 -16.354 1.032 1.00 75.00 H new ATOM 0 HE ARG A 83 5.146 -17.002 2.241 1.00 75.00 H new ATOM 0 HH11 ARG A 83 7.996 -19.147 2.454 1.00 75.00 H new ATOM 0 HH12 ARG A 83 7.470 -19.839 3.992 1.00 75.00 H new ATOM 0 HH21 ARG A 83 4.523 -17.915 4.179 1.00 75.00 H new ATOM 0 HH22 ARG A 83 5.521 -19.147 4.960 1.00 75.00 H new ATOM 1346 N LEU A 84 3.912 -20.737 -3.521 1.00 75.00 N ATOM 1347 CA LEU A 84 3.728 -22.004 -4.224 1.00 75.00 C ATOM 1348 C LEU A 84 4.854 -22.165 -5.236 1.00 75.00 C ATOM 1349 O LEU A 84 4.969 -21.362 -6.173 1.00 75.00 O ATOM 1350 CB LEU A 84 2.336 -22.037 -4.931 1.00 75.00 C ATOM 1351 CG LEU A 84 1.084 -22.038 -3.991 1.00 75.00 C ATOM 1352 CD1 LEU A 84 -0.228 -22.065 -4.809 1.00 75.00 C ATOM 1353 CD2 LEU A 84 1.137 -23.212 -2.991 1.00 75.00 C ATOM 0 H LEU A 84 3.374 -19.972 -3.928 1.00 75.00 H new ATOM 0 HA LEU A 84 3.757 -22.831 -3.514 1.00 75.00 H new ATOM 0 HB2 LEU A 84 2.267 -21.174 -5.593 1.00 75.00 H new ATOM 0 HB3 LEU A 84 2.292 -22.926 -5.561 1.00 75.00 H new ATOM 0 HG LEU A 84 1.101 -21.111 -3.417 1.00 75.00 H new ATOM 0 HD11 LEU A 84 -1.080 -22.065 -4.130 1.00 75.00 H new ATOM 0 HD12 LEU A 84 -0.275 -21.185 -5.450 1.00 75.00 H new ATOM 0 HD13 LEU A 84 -0.255 -22.964 -5.425 1.00 75.00 H new ATOM 0 HD21 LEU A 84 0.254 -23.186 -2.352 1.00 75.00 H new ATOM 0 HD22 LEU A 84 1.161 -24.155 -3.538 1.00 75.00 H new ATOM 0 HD23 LEU A 84 2.033 -23.126 -2.376 1.00 75.00 H new ATOM 1365 N THR A 85 5.689 -23.185 -5.022 1.00 75.00 N ATOM 1366 CA THR A 85 6.831 -23.457 -5.882 1.00 75.00 C ATOM 1367 C THR A 85 6.331 -23.936 -7.261 1.00 75.00 C ATOM 1368 O THR A 85 6.473 -23.208 -8.242 1.00 75.00 O ATOM 1369 CB THR A 85 7.800 -24.502 -5.228 1.00 75.00 C ATOM 1370 OG1 THR A 85 7.110 -25.734 -4.980 1.00 75.00 O ATOM 1371 CG2 THR A 85 8.386 -23.982 -3.900 1.00 75.00 C ATOM 0 H THR A 85 5.588 -23.841 -4.248 1.00 75.00 H new ATOM 0 HA THR A 85 7.402 -22.538 -6.015 1.00 75.00 H new ATOM 0 HB THR A 85 8.618 -24.666 -5.930 1.00 75.00 H new ATOM 0 HG1 THR A 85 7.727 -26.378 -4.573 1.00 75.00 H new ATOM 0 HG21 THR A 85 9.052 -24.734 -3.477 1.00 75.00 H new ATOM 0 HG22 THR A 85 8.945 -23.064 -4.083 1.00 75.00 H new ATOM 0 HG23 THR A 85 7.576 -23.780 -3.199 1.00 75.00 H new ATOM 1379 N ARG A 86 5.652 -25.110 -7.274 1.00 75.00 N ATOM 1380 CA ARG A 86 5.203 -25.824 -8.499 1.00 75.00 C ATOM 1381 C ARG A 86 6.401 -26.442 -9.258 1.00 75.00 C ATOM 1382 O ARG A 86 7.574 -26.142 -8.974 1.00 75.00 O ATOM 1383 CB ARG A 86 4.380 -24.923 -9.477 1.00 75.00 C ATOM 1384 CG ARG A 86 3.054 -24.343 -8.927 1.00 75.00 C ATOM 1385 CD ARG A 86 2.370 -23.413 -9.954 1.00 75.00 C ATOM 1386 NE ARG A 86 1.036 -22.934 -9.521 1.00 75.00 N ATOM 1387 CZ ARG A 86 0.159 -22.288 -10.315 1.00 75.00 C ATOM 1388 NH1 ARG A 86 0.460 -22.014 -11.595 1.00 75.00 N ATOM 1389 NH2 ARG A 86 -1.011 -21.907 -9.819 1.00 75.00 N ATOM 0 H ARG A 86 5.395 -25.598 -6.416 1.00 75.00 H new ATOM 0 HA ARG A 86 4.541 -26.615 -8.147 1.00 75.00 H new ATOM 0 HB2 ARG A 86 5.012 -24.092 -9.790 1.00 75.00 H new ATOM 0 HB3 ARG A 86 4.154 -25.506 -10.370 1.00 75.00 H new ATOM 0 HG2 ARG A 86 2.379 -25.159 -8.668 1.00 75.00 H new ATOM 0 HG3 ARG A 86 3.252 -23.789 -8.009 1.00 75.00 H new ATOM 0 HD2 ARG A 86 3.014 -22.553 -10.139 1.00 75.00 H new ATOM 0 HD3 ARG A 86 2.267 -23.943 -10.901 1.00 75.00 H new ATOM 0 HE ARG A 86 0.762 -23.105 -8.554 1.00 75.00 H new ATOM 0 HH11 ARG A 86 1.362 -22.296 -11.978 1.00 75.00 H new ATOM 0 HH12 ARG A 86 -0.214 -21.524 -12.184 1.00 75.00 H new ATOM 0 HH21 ARG A 86 -1.240 -22.103 -8.845 1.00 75.00 H new ATOM 0 HH22 ARG A 86 -1.681 -21.418 -10.412 1.00 75.00 H new ATOM 1403 N GLU A 87 6.086 -27.300 -10.241 1.00 75.00 N ATOM 1404 CA GLU A 87 7.079 -27.888 -11.161 1.00 75.00 C ATOM 1405 C GLU A 87 6.604 -27.731 -12.612 1.00 75.00 C ATOM 1406 O GLU A 87 5.400 -27.586 -12.864 1.00 75.00 O ATOM 1407 CB GLU A 87 7.311 -29.389 -10.832 1.00 75.00 C ATOM 1408 CG GLU A 87 6.060 -30.291 -10.985 1.00 75.00 C ATOM 1409 CD GLU A 87 6.363 -31.787 -10.834 1.00 75.00 C ATOM 1410 OE1 GLU A 87 6.747 -32.430 -11.841 1.00 75.00 O ATOM 1411 OE2 GLU A 87 6.212 -32.330 -9.716 1.00 75.00 O ATOM 0 H GLU A 87 5.131 -27.608 -10.423 1.00 75.00 H new ATOM 0 HA GLU A 87 8.024 -27.360 -11.036 1.00 75.00 H new ATOM 0 HB2 GLU A 87 8.098 -29.771 -11.482 1.00 75.00 H new ATOM 0 HB3 GLU A 87 7.676 -29.469 -9.808 1.00 75.00 H new ATOM 0 HG2 GLU A 87 5.319 -30.001 -10.240 1.00 75.00 H new ATOM 0 HG3 GLU A 87 5.613 -30.116 -11.963 1.00 75.00 H new ATOM 1418 N ALA A 88 7.550 -27.776 -13.556 1.00 75.00 N ATOM 1419 CA ALA A 88 7.253 -27.705 -14.995 1.00 75.00 C ATOM 1420 C ALA A 88 8.433 -28.253 -15.836 1.00 75.00 C ATOM 1421 O ALA A 88 8.194 -29.101 -16.706 1.00 75.00 O ATOM 1422 CB ALA A 88 6.818 -26.279 -15.415 1.00 75.00 C ATOM 0 H ALA A 88 8.544 -27.863 -13.346 1.00 75.00 H new ATOM 0 HA ALA A 88 6.401 -28.353 -15.200 1.00 75.00 H new ATOM 0 HB1 ALA A 88 6.607 -26.263 -16.484 1.00 75.00 H new ATOM 0 HB2 ALA A 88 5.922 -25.995 -14.864 1.00 75.00 H new ATOM 0 HB3 ALA A 88 7.619 -25.574 -15.193 1.00 75.00 H new ATOM 1428 N PRO A 89 9.722 -27.791 -15.636 1.00 75.00 N ATOM 1429 CA PRO A 89 10.884 -28.489 -16.230 1.00 75.00 C ATOM 1430 C PRO A 89 11.301 -29.730 -15.382 1.00 75.00 C ATOM 1431 O PRO A 89 12.266 -29.648 -14.583 1.00 75.00 O ATOM 1432 CB PRO A 89 11.973 -27.385 -16.278 1.00 75.00 C ATOM 1433 CG PRO A 89 11.654 -26.467 -15.132 1.00 75.00 C ATOM 1434 CD PRO A 89 10.153 -26.564 -14.890 1.00 75.00 C ATOM 1435 OXT PRO A 89 10.629 -30.778 -15.486 1.00 75.00 O ATOM 0 HA PRO A 89 10.685 -28.907 -17.217 1.00 75.00 H new ATOM 0 HB2 PRO A 89 12.971 -27.811 -16.175 1.00 75.00 H new ATOM 0 HB3 PRO A 89 11.951 -26.851 -17.228 1.00 75.00 H new ATOM 0 HG2 PRO A 89 12.208 -26.757 -14.239 1.00 75.00 H new ATOM 0 HG3 PRO A 89 11.942 -25.442 -15.367 1.00 75.00 H new ATOM 0 HD2 PRO A 89 9.929 -26.649 -13.827 1.00 75.00 H new ATOM 0 HD3 PRO A 89 9.635 -25.677 -15.255 1.00 75.00 H new TER 1443 PRO A 89