USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 842 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 6 SER OG : rot 180:sc=-0.000989 USER MOD Set 1.2: A 26 GLN : amide:sc= 0 K(o=-0.00099,f=-0.67) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 42:sc= 0.787 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -127:sc= 0 (180deg=-0.0737) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= -0.987 USER MOD Single : A 14 LYS NZ :NH3+ -164:sc= 0.0136 (180deg=9.54e-05) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 164:sc= -0.872 (180deg=-1.94!) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 163:sc= -0.0527 (180deg=-0.274) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.553 X(o=-0.55,f=-0.55) USER MOD Single : A 40 TYR OH : rot 130:sc= -0.541 USER MOD Single : A 42 GLN : amide:sc= -0.168 K(o=-0.17,f=-2.5!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -5.29! C(o=-5.3!,f=-6.7!) USER MOD Single : A 52 GLN : amide:sc= -0.011 K(o=-0.011,f=-1.3) USER MOD Single : A 53 HIS : no HD1:sc= -0.365 X(o=-0.36,f=-0.02) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -7:sc= 0.506 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HE2:sc= -1.47 K(o=-1.5,f=-2.7!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.389 USER MOD Single : A 67 SER OG : rot 130:sc= -0.222 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.00509 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot -25:sc= 1.2 USER MOD Single : A 86 ASN : amide:sc= 0.017 K(o=0.017,f=-1.2) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= -0.0952 K(o=-0.095,f=-1.2!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.760 -18.487 0.588 1.00 0.00 N ATOM 2 CA GLY A 1 4.679 -19.369 1.739 1.00 0.00 C ATOM 3 C GLY A 1 3.236 -19.811 1.991 1.00 0.00 C ATOM 4 O GLY A 1 2.686 -20.609 1.234 1.00 0.00 O ATOM 0 H1 GLY A 1 5.749 -18.201 0.438 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.412 -18.985 -0.256 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.177 -17.642 0.756 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.308 -20.244 1.576 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.066 -18.858 2.621 1.00 0.00 H new ATOM 8 N SER A 2 2.664 -19.273 3.059 1.00 0.00 N ATOM 9 CA SER A 2 1.296 -19.602 3.420 1.00 0.00 C ATOM 10 C SER A 2 0.634 -18.406 4.107 1.00 0.00 C ATOM 11 O SER A 2 0.751 -18.240 5.321 1.00 0.00 O ATOM 12 CB SER A 2 1.247 -20.831 4.330 1.00 0.00 C ATOM 13 OG SER A 2 1.976 -20.630 5.538 1.00 0.00 O ATOM 0 H SER A 2 3.123 -18.612 3.685 1.00 0.00 H new ATOM 0 HA SER A 2 0.749 -19.837 2.507 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.209 -21.065 4.567 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.655 -21.692 3.799 1.00 0.00 H new ATOM 0 HG SER A 2 1.802 -19.728 5.879 1.00 0.00 H new ATOM 19 N SER A 3 -0.046 -17.603 3.302 1.00 0.00 N ATOM 20 CA SER A 3 -0.726 -16.427 3.817 1.00 0.00 C ATOM 21 C SER A 3 -2.220 -16.504 3.496 1.00 0.00 C ATOM 22 O SER A 3 -2.657 -16.039 2.445 1.00 0.00 O ATOM 23 CB SER A 3 -0.124 -15.145 3.239 1.00 0.00 C ATOM 24 OG SER A 3 0.498 -14.347 4.243 1.00 0.00 O ATOM 0 H SER A 3 -0.141 -17.744 2.296 1.00 0.00 H new ATOM 0 HA SER A 3 -0.594 -16.402 4.899 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.609 -15.402 2.474 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.907 -14.566 2.749 1.00 0.00 H new ATOM 0 HG SER A 3 0.871 -13.539 3.834 1.00 0.00 H new ATOM 30 N GLY A 4 -2.962 -17.095 4.421 1.00 0.00 N ATOM 31 CA GLY A 4 -4.398 -17.239 4.249 1.00 0.00 C ATOM 32 C GLY A 4 -4.727 -17.887 2.903 1.00 0.00 C ATOM 33 O GLY A 4 -3.827 -18.294 2.170 1.00 0.00 O ATOM 0 H GLY A 4 -2.596 -17.480 5.292 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.806 -17.845 5.058 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.875 -16.261 4.312 1.00 0.00 H new ATOM 37 N SER A 5 -6.019 -17.963 2.619 1.00 0.00 N ATOM 38 CA SER A 5 -6.478 -18.555 1.374 1.00 0.00 C ATOM 39 C SER A 5 -6.891 -17.456 0.394 1.00 0.00 C ATOM 40 O SER A 5 -7.302 -16.373 0.807 1.00 0.00 O ATOM 41 CB SER A 5 -7.644 -19.515 1.618 1.00 0.00 C ATOM 42 OG SER A 5 -7.605 -20.636 0.738 1.00 0.00 O ATOM 0 H SER A 5 -6.762 -17.624 3.230 1.00 0.00 H new ATOM 0 HA SER A 5 -5.656 -19.127 0.943 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.617 -19.863 2.650 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.586 -18.983 1.486 1.00 0.00 H new ATOM 0 HG SER A 5 -8.364 -21.226 0.926 1.00 0.00 H new ATOM 48 N SER A 6 -6.769 -17.773 -0.887 1.00 0.00 N ATOM 49 CA SER A 6 -7.125 -16.826 -1.930 1.00 0.00 C ATOM 50 C SER A 6 -6.350 -15.521 -1.738 1.00 0.00 C ATOM 51 O SER A 6 -5.759 -15.295 -0.683 1.00 0.00 O ATOM 52 CB SER A 6 -8.630 -16.554 -1.936 1.00 0.00 C ATOM 53 OG SER A 6 -9.300 -17.284 -2.960 1.00 0.00 O ATOM 0 H SER A 6 -6.428 -18.673 -1.226 1.00 0.00 H new ATOM 0 HA SER A 6 -6.858 -17.261 -2.893 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.050 -16.821 -0.966 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.805 -15.487 -2.077 1.00 0.00 H new ATOM 0 HG SER A 6 -10.259 -17.084 -2.930 1.00 0.00 H new ATOM 59 N GLY A 7 -6.378 -14.696 -2.774 1.00 0.00 N ATOM 60 CA GLY A 7 -5.686 -13.419 -2.733 1.00 0.00 C ATOM 61 C GLY A 7 -5.799 -12.691 -4.074 1.00 0.00 C ATOM 62 O GLY A 7 -6.497 -13.150 -4.977 1.00 0.00 O ATOM 0 H GLY A 7 -6.869 -14.887 -3.647 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.107 -12.799 -1.942 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.636 -13.578 -2.489 1.00 0.00 H new ATOM 66 N MET A 8 -5.102 -11.567 -4.161 1.00 0.00 N ATOM 67 CA MET A 8 -5.115 -10.771 -5.377 1.00 0.00 C ATOM 68 C MET A 8 -3.889 -9.858 -5.447 1.00 0.00 C ATOM 69 O MET A 8 -3.320 -9.496 -4.418 1.00 0.00 O ATOM 70 CB MET A 8 -6.387 -9.923 -5.418 1.00 0.00 C ATOM 71 CG MET A 8 -6.589 -9.173 -4.099 1.00 0.00 C ATOM 72 SD MET A 8 -8.320 -9.155 -3.666 1.00 0.00 S ATOM 73 CE MET A 8 -8.898 -7.860 -4.750 1.00 0.00 C ATOM 0 H MET A 8 -4.525 -11.189 -3.410 1.00 0.00 H new ATOM 0 HA MET A 8 -5.091 -11.446 -6.232 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.327 -9.210 -6.240 1.00 0.00 H new ATOM 0 HB3 MET A 8 -7.248 -10.562 -5.613 1.00 0.00 H new ATOM 0 HG2 MET A 8 -6.013 -9.651 -3.307 1.00 0.00 H new ATOM 0 HG3 MET A 8 -6.218 -8.152 -4.191 1.00 0.00 H new ATOM 0 HE1 MET A 8 -9.438 -7.113 -4.168 1.00 0.00 H new ATOM 0 HE2 MET A 8 -8.046 -7.391 -5.243 1.00 0.00 H new ATOM 0 HE3 MET A 8 -9.563 -8.285 -5.502 1.00 0.00 H new ATOM 83 N THR A 9 -3.519 -9.510 -6.671 1.00 0.00 N ATOM 84 CA THR A 9 -2.372 -8.646 -6.889 1.00 0.00 C ATOM 85 C THR A 9 -2.829 -7.212 -7.166 1.00 0.00 C ATOM 86 O THR A 9 -3.353 -6.921 -8.240 1.00 0.00 O ATOM 87 CB THR A 9 -1.536 -9.246 -8.020 1.00 0.00 C ATOM 88 OG1 THR A 9 -0.732 -10.230 -7.374 1.00 0.00 O ATOM 89 CG2 THR A 9 -0.521 -8.253 -8.590 1.00 0.00 C ATOM 0 H THR A 9 -3.994 -9.811 -7.522 1.00 0.00 H new ATOM 0 HA THR A 9 -1.746 -8.588 -5.998 1.00 0.00 H new ATOM 0 HB THR A 9 -2.197 -9.587 -8.817 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.159 -10.670 -8.036 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.046 -8.730 -9.389 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.046 -7.384 -8.986 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.161 -7.937 -7.801 1.00 0.00 H new ATOM 97 N VAL A 10 -2.614 -6.355 -6.178 1.00 0.00 N ATOM 98 CA VAL A 10 -2.997 -4.959 -6.302 1.00 0.00 C ATOM 99 C VAL A 10 -1.744 -4.107 -6.508 1.00 0.00 C ATOM 100 O VAL A 10 -0.797 -4.190 -5.727 1.00 0.00 O ATOM 101 CB VAL A 10 -3.818 -4.532 -5.083 1.00 0.00 C ATOM 102 CG1 VAL A 10 -4.122 -3.033 -5.126 1.00 0.00 C ATOM 103 CG2 VAL A 10 -5.105 -5.351 -4.974 1.00 0.00 C ATOM 0 H VAL A 10 -2.180 -6.601 -5.288 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.635 -4.814 -7.174 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.222 -4.727 -4.192 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.706 -2.755 -4.249 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.187 -2.472 -5.132 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.689 -2.803 -6.028 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.669 -5.027 -4.099 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.708 -5.203 -5.870 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.857 -6.408 -4.875 1.00 0.00 H new ATOM 113 N ARG A 11 -1.778 -3.306 -7.563 1.00 0.00 N ATOM 114 CA ARG A 11 -0.656 -2.439 -7.882 1.00 0.00 C ATOM 115 C ARG A 11 -0.824 -1.081 -7.198 1.00 0.00 C ATOM 116 O ARG A 11 -1.946 -0.623 -6.987 1.00 0.00 O ATOM 117 CB ARG A 11 -0.534 -2.230 -9.392 1.00 0.00 C ATOM 118 CG ARG A 11 -0.042 -3.503 -10.084 1.00 0.00 C ATOM 119 CD ARG A 11 -0.781 -3.730 -11.405 1.00 0.00 C ATOM 120 NE ARG A 11 -0.660 -5.146 -11.816 1.00 0.00 N ATOM 121 CZ ARG A 11 0.425 -5.667 -12.406 1.00 0.00 C ATOM 122 NH1 ARG A 11 1.488 -4.891 -12.657 1.00 0.00 N ATOM 123 NH2 ARG A 11 0.446 -6.963 -12.744 1.00 0.00 N ATOM 0 H ARG A 11 -2.565 -3.239 -8.208 1.00 0.00 H new ATOM 0 HA ARG A 11 0.251 -2.923 -7.519 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.501 -1.940 -9.802 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.157 -1.411 -9.595 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.029 -3.429 -10.271 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.193 -4.360 -9.427 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.832 -3.464 -11.294 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.368 -3.082 -12.178 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.452 -5.764 -11.639 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.471 -3.904 -12.399 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.314 -5.287 -13.106 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.364 -7.553 -12.552 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.272 -7.360 -13.193 1.00 0.00 H new ATOM 137 N VAL A 12 0.308 -0.476 -6.869 1.00 0.00 N ATOM 138 CA VAL A 12 0.300 0.820 -6.213 1.00 0.00 C ATOM 139 C VAL A 12 1.259 1.763 -6.944 1.00 0.00 C ATOM 140 O VAL A 12 2.427 1.433 -7.142 1.00 0.00 O ATOM 141 CB VAL A 12 0.636 0.658 -4.729 1.00 0.00 C ATOM 142 CG1 VAL A 12 0.685 2.016 -4.026 1.00 0.00 C ATOM 143 CG2 VAL A 12 -0.358 -0.280 -4.041 1.00 0.00 C ATOM 0 H VAL A 12 1.237 -0.860 -7.045 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.694 1.266 -6.260 1.00 0.00 H new ATOM 0 HB VAL A 12 1.626 0.208 -4.657 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.926 1.872 -2.973 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.449 2.639 -4.491 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.285 2.506 -4.113 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.096 -0.378 -2.987 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.365 0.129 -4.129 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.322 -1.260 -4.516 1.00 0.00 H new ATOM 153 N CYS A 13 0.729 2.916 -7.324 1.00 0.00 N ATOM 154 CA CYS A 13 1.523 3.908 -8.029 1.00 0.00 C ATOM 155 C CYS A 13 2.159 4.838 -6.993 1.00 0.00 C ATOM 156 O CYS A 13 1.609 5.894 -6.682 1.00 0.00 O ATOM 157 CB CYS A 13 0.687 4.679 -9.052 1.00 0.00 C ATOM 158 SG CYS A 13 1.783 5.629 -10.168 1.00 0.00 S ATOM 0 H CYS A 13 -0.240 3.186 -7.157 1.00 0.00 H new ATOM 0 HA CYS A 13 2.307 3.411 -8.600 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.077 3.986 -9.631 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.002 5.355 -8.539 1.00 0.00 H new ATOM 0 HG CYS A 13 1.063 6.278 -11.034 1.00 0.00 H new ATOM 164 N LYS A 14 3.307 4.412 -6.488 1.00 0.00 N ATOM 165 CA LYS A 14 4.023 5.194 -5.495 1.00 0.00 C ATOM 166 C LYS A 14 4.173 6.632 -5.994 1.00 0.00 C ATOM 167 O LYS A 14 3.908 6.918 -7.161 1.00 0.00 O ATOM 168 CB LYS A 14 5.353 4.523 -5.142 1.00 0.00 C ATOM 169 CG LYS A 14 5.149 3.408 -4.115 1.00 0.00 C ATOM 170 CD LYS A 14 6.334 3.326 -3.151 1.00 0.00 C ATOM 171 CE LYS A 14 7.621 2.965 -3.894 1.00 0.00 C ATOM 172 NZ LYS A 14 8.621 2.406 -2.956 1.00 0.00 N ATOM 0 H LYS A 14 3.759 3.535 -6.748 1.00 0.00 H new ATOM 0 HA LYS A 14 3.457 5.238 -4.564 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.808 4.113 -6.044 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.045 5.266 -4.745 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.232 3.589 -3.555 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.027 2.454 -4.628 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.460 4.281 -2.642 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.132 2.579 -2.383 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.404 2.240 -4.678 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.027 3.851 -4.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.560 2.419 -3.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.642 2.979 -2.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.364 1.427 -2.718 1.00 0.00 H new ATOM 186 N MET A 15 4.598 7.499 -5.087 1.00 0.00 N ATOM 187 CA MET A 15 4.786 8.900 -5.421 1.00 0.00 C ATOM 188 C MET A 15 5.948 9.079 -6.400 1.00 0.00 C ATOM 189 O MET A 15 6.957 9.697 -6.066 1.00 0.00 O ATOM 190 CB MET A 15 5.067 9.696 -4.144 1.00 0.00 C ATOM 191 CG MET A 15 6.202 9.058 -3.339 1.00 0.00 C ATOM 192 SD MET A 15 7.577 10.190 -3.220 1.00 0.00 S ATOM 193 CE MET A 15 7.235 10.926 -1.630 1.00 0.00 C ATOM 0 H MET A 15 4.818 7.258 -4.121 1.00 0.00 H new ATOM 0 HA MET A 15 3.876 9.266 -5.896 1.00 0.00 H new ATOM 0 HB2 MET A 15 5.331 10.722 -4.401 1.00 0.00 H new ATOM 0 HB3 MET A 15 4.165 9.742 -3.534 1.00 0.00 H new ATOM 0 HG2 MET A 15 5.849 8.796 -2.342 1.00 0.00 H new ATOM 0 HG3 MET A 15 6.523 8.132 -3.817 1.00 0.00 H new ATOM 0 HE1 MET A 15 8.004 11.663 -1.397 1.00 0.00 H new ATOM 0 HE2 MET A 15 6.261 11.414 -1.657 1.00 0.00 H new ATOM 0 HE3 MET A 15 7.232 10.151 -0.863 1.00 0.00 H new ATOM 203 N ASP A 16 5.766 8.527 -7.591 1.00 0.00 N ATOM 204 CA ASP A 16 6.786 8.618 -8.622 1.00 0.00 C ATOM 205 C ASP A 16 6.264 7.975 -9.908 1.00 0.00 C ATOM 206 O ASP A 16 6.285 8.596 -10.969 1.00 0.00 O ATOM 207 CB ASP A 16 8.058 7.876 -8.205 1.00 0.00 C ATOM 208 CG ASP A 16 9.254 8.066 -9.140 1.00 0.00 C ATOM 209 OD1 ASP A 16 9.450 9.218 -9.583 1.00 0.00 O ATOM 210 OD2 ASP A 16 9.944 7.054 -9.391 1.00 0.00 O ATOM 0 H ASP A 16 4.927 8.015 -7.865 1.00 0.00 H new ATOM 0 HA ASP A 16 7.017 9.672 -8.776 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.342 8.206 -7.205 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.834 6.811 -8.138 1.00 0.00 H new ATOM 215 N GLY A 17 5.808 6.739 -9.771 1.00 0.00 N ATOM 216 CA GLY A 17 5.281 6.005 -10.909 1.00 0.00 C ATOM 217 C GLY A 17 5.483 4.499 -10.732 1.00 0.00 C ATOM 218 O GLY A 17 4.737 3.698 -11.294 1.00 0.00 O ATOM 0 H GLY A 17 5.792 6.227 -8.889 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.219 6.222 -11.026 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.776 6.337 -11.821 1.00 0.00 H new ATOM 222 N GLU A 18 6.495 4.158 -9.947 1.00 0.00 N ATOM 223 CA GLU A 18 6.804 2.762 -9.688 1.00 0.00 C ATOM 224 C GLU A 18 5.544 2.011 -9.253 1.00 0.00 C ATOM 225 O GLU A 18 4.688 2.571 -8.570 1.00 0.00 O ATOM 226 CB GLU A 18 7.910 2.631 -8.640 1.00 0.00 C ATOM 227 CG GLU A 18 8.664 1.309 -8.800 1.00 0.00 C ATOM 228 CD GLU A 18 9.225 0.831 -7.460 1.00 0.00 C ATOM 229 OE1 GLU A 18 8.940 1.512 -6.451 1.00 0.00 O ATOM 230 OE2 GLU A 18 9.926 -0.204 -7.474 1.00 0.00 O ATOM 0 H GLU A 18 7.111 4.825 -9.482 1.00 0.00 H new ATOM 0 HA GLU A 18 7.169 2.313 -10.612 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.606 3.464 -8.735 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.478 2.689 -7.641 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.995 0.552 -9.209 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.477 1.435 -9.515 1.00 0.00 H new ATOM 237 N VAL A 19 5.470 0.754 -9.666 1.00 0.00 N ATOM 238 CA VAL A 19 4.329 -0.079 -9.327 1.00 0.00 C ATOM 239 C VAL A 19 4.788 -1.217 -8.414 1.00 0.00 C ATOM 240 O VAL A 19 5.761 -1.906 -8.715 1.00 0.00 O ATOM 241 CB VAL A 19 3.646 -0.575 -10.604 1.00 0.00 C ATOM 242 CG1 VAL A 19 2.496 -1.529 -10.274 1.00 0.00 C ATOM 243 CG2 VAL A 19 3.159 0.598 -11.456 1.00 0.00 C ATOM 0 H VAL A 19 6.182 0.292 -10.232 1.00 0.00 H new ATOM 0 HA VAL A 19 3.584 0.497 -8.779 1.00 0.00 H new ATOM 0 HB VAL A 19 4.383 -1.128 -11.186 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.027 -1.867 -11.198 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.882 -2.389 -9.727 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.758 -1.011 -9.661 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.678 0.218 -12.357 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.444 1.190 -10.885 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.008 1.223 -11.734 1.00 0.00 H new ATOM 253 N MET A 20 4.065 -1.380 -7.316 1.00 0.00 N ATOM 254 CA MET A 20 4.385 -2.423 -6.356 1.00 0.00 C ATOM 255 C MET A 20 3.238 -3.428 -6.235 1.00 0.00 C ATOM 256 O MET A 20 2.111 -3.054 -5.916 1.00 0.00 O ATOM 257 CB MET A 20 4.657 -1.792 -4.989 1.00 0.00 C ATOM 258 CG MET A 20 6.124 -1.377 -4.859 1.00 0.00 C ATOM 259 SD MET A 20 6.304 -0.171 -3.556 1.00 0.00 S ATOM 260 CE MET A 20 5.010 -0.711 -2.452 1.00 0.00 C ATOM 0 H MET A 20 3.258 -0.807 -7.070 1.00 0.00 H new ATOM 0 HA MET A 20 5.271 -2.953 -6.705 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.016 -0.921 -4.852 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.405 -2.501 -4.200 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.740 -2.250 -4.645 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.478 -0.961 -5.802 1.00 0.00 H new ATOM 0 HE1 MET A 20 5.158 -0.261 -1.470 1.00 0.00 H new ATOM 0 HE2 MET A 20 4.042 -0.406 -2.849 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.039 -1.797 -2.361 1.00 0.00 H new ATOM 270 N PRO A 21 3.574 -4.718 -6.504 1.00 0.00 N ATOM 271 CA PRO A 21 2.586 -5.780 -6.429 1.00 0.00 C ATOM 272 C PRO A 21 2.266 -6.130 -4.975 1.00 0.00 C ATOM 273 O PRO A 21 3.089 -6.727 -4.281 1.00 0.00 O ATOM 274 CB PRO A 21 3.195 -6.940 -7.200 1.00 0.00 C ATOM 275 CG PRO A 21 4.685 -6.650 -7.279 1.00 0.00 C ATOM 276 CD PRO A 21 4.899 -5.198 -6.886 1.00 0.00 C ATOM 0 HA PRO A 21 1.627 -5.493 -6.860 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.008 -7.887 -6.694 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.759 -7.019 -8.196 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.238 -7.311 -6.612 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.056 -6.831 -8.288 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.605 -5.111 -6.060 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.306 -4.619 -7.715 1.00 0.00 H new ATOM 284 N VAL A 22 1.070 -5.745 -4.555 1.00 0.00 N ATOM 285 CA VAL A 22 0.632 -6.011 -3.196 1.00 0.00 C ATOM 286 C VAL A 22 -0.343 -7.190 -3.200 1.00 0.00 C ATOM 287 O VAL A 22 -1.033 -7.426 -4.190 1.00 0.00 O ATOM 288 CB VAL A 22 0.035 -4.744 -2.581 1.00 0.00 C ATOM 289 CG1 VAL A 22 -0.539 -5.026 -1.191 1.00 0.00 C ATOM 290 CG2 VAL A 22 1.071 -3.619 -2.528 1.00 0.00 C ATOM 0 H VAL A 22 0.390 -5.250 -5.133 1.00 0.00 H new ATOM 0 HA VAL A 22 1.479 -6.292 -2.570 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.784 -4.416 -3.221 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.957 -4.108 -0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.323 -5.780 -1.267 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.253 -5.391 -0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.620 -2.730 -2.087 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.920 -3.935 -1.922 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.411 -3.390 -3.538 1.00 0.00 H new ATOM 300 N VAL A 23 -0.368 -7.900 -2.081 1.00 0.00 N ATOM 301 CA VAL A 23 -1.246 -9.049 -1.944 1.00 0.00 C ATOM 302 C VAL A 23 -2.278 -8.768 -0.849 1.00 0.00 C ATOM 303 O VAL A 23 -1.937 -8.240 0.209 1.00 0.00 O ATOM 304 CB VAL A 23 -0.421 -10.310 -1.679 1.00 0.00 C ATOM 305 CG1 VAL A 23 -1.314 -11.459 -1.206 1.00 0.00 C ATOM 306 CG2 VAL A 23 0.379 -10.712 -2.920 1.00 0.00 C ATOM 0 H VAL A 23 0.206 -7.701 -1.261 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.793 -9.224 -2.870 1.00 0.00 H new ATOM 0 HB VAL A 23 0.288 -10.086 -0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.703 -12.343 -1.025 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.819 -11.171 -0.284 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.057 -11.682 -1.972 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.957 -11.611 -2.705 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.305 -10.909 -3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.056 -9.903 -3.194 1.00 0.00 H new ATOM 316 N VAL A 24 -3.517 -9.135 -1.140 1.00 0.00 N ATOM 317 CA VAL A 24 -4.600 -8.929 -0.193 1.00 0.00 C ATOM 318 C VAL A 24 -5.648 -10.029 -0.376 1.00 0.00 C ATOM 319 O VAL A 24 -5.665 -10.710 -1.400 1.00 0.00 O ATOM 320 CB VAL A 24 -5.177 -7.521 -0.355 1.00 0.00 C ATOM 321 CG1 VAL A 24 -4.162 -6.460 0.075 1.00 0.00 C ATOM 322 CG2 VAL A 24 -5.644 -7.283 -1.792 1.00 0.00 C ATOM 0 H VAL A 24 -3.795 -9.574 -2.018 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.231 -8.998 0.830 1.00 0.00 H new ATOM 0 HB VAL A 24 -6.046 -7.437 0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.597 -5.468 -0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.899 -6.611 1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.266 -6.543 -0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.050 -6.275 -1.881 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.800 -7.395 -2.472 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.416 -8.009 -2.049 1.00 0.00 H new ATOM 332 N VAL A 25 -6.496 -10.168 0.632 1.00 0.00 N ATOM 333 CA VAL A 25 -7.544 -11.174 0.595 1.00 0.00 C ATOM 334 C VAL A 25 -8.494 -10.872 -0.566 1.00 0.00 C ATOM 335 O VAL A 25 -8.679 -9.713 -0.936 1.00 0.00 O ATOM 336 CB VAL A 25 -8.256 -11.238 1.948 1.00 0.00 C ATOM 337 CG1 VAL A 25 -7.265 -11.542 3.074 1.00 0.00 C ATOM 338 CG2 VAL A 25 -9.022 -9.944 2.226 1.00 0.00 C ATOM 0 H VAL A 25 -6.479 -9.601 1.480 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.119 -12.162 0.419 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.979 -12.053 1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.796 -11.582 4.025 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.784 -12.502 2.886 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.508 -10.759 3.114 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.519 -10.016 3.194 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.327 -9.105 2.237 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.767 -9.788 1.446 1.00 0.00 H new ATOM 348 N GLN A 26 -9.069 -11.934 -1.109 1.00 0.00 N ATOM 349 CA GLN A 26 -9.995 -11.797 -2.221 1.00 0.00 C ATOM 350 C GLN A 26 -11.047 -10.731 -1.908 1.00 0.00 C ATOM 351 O GLN A 26 -11.651 -10.165 -2.817 1.00 0.00 O ATOM 352 CB GLN A 26 -10.655 -13.137 -2.553 1.00 0.00 C ATOM 353 CG GLN A 26 -10.259 -13.611 -3.953 1.00 0.00 C ATOM 354 CD GLN A 26 -11.053 -14.856 -4.355 1.00 0.00 C ATOM 355 OE1 GLN A 26 -12.186 -15.058 -3.952 1.00 0.00 O ATOM 356 NE2 GLN A 26 -10.395 -15.677 -5.169 1.00 0.00 N ATOM 0 H GLN A 26 -8.912 -12.893 -0.800 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.433 -11.478 -3.099 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.361 -13.884 -1.816 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -11.739 -13.038 -2.492 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.436 -12.814 -4.675 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.192 -13.832 -3.978 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.447 -15.447 -5.468 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.838 -16.536 -5.494 1.00 0.00 H new ATOM 365 N ASN A 27 -11.232 -10.489 -0.618 1.00 0.00 N ATOM 366 CA ASN A 27 -12.200 -9.501 -0.174 1.00 0.00 C ATOM 367 C ASN A 27 -11.551 -8.593 0.872 1.00 0.00 C ATOM 368 O ASN A 27 -12.010 -8.527 2.012 1.00 0.00 O ATOM 369 CB ASN A 27 -13.416 -10.171 0.470 1.00 0.00 C ATOM 370 CG ASN A 27 -14.449 -10.564 -0.588 1.00 0.00 C ATOM 371 OD1 ASN A 27 -14.599 -11.721 -0.947 1.00 0.00 O ATOM 372 ND2 ASN A 27 -15.152 -9.541 -1.065 1.00 0.00 N ATOM 0 H ASN A 27 -10.728 -10.960 0.133 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.523 -8.930 -1.044 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -13.099 -11.057 1.020 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.870 -9.492 1.192 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -15.867 -9.700 -1.775 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -14.976 -8.597 -0.721 1.00 0.00 H new ATOM 379 N ALA A 28 -10.495 -7.915 0.448 1.00 0.00 N ATOM 380 CA ALA A 28 -9.779 -7.013 1.334 1.00 0.00 C ATOM 381 C ALA A 28 -10.471 -5.649 1.335 1.00 0.00 C ATOM 382 O ALA A 28 -11.458 -5.449 0.629 1.00 0.00 O ATOM 383 CB ALA A 28 -8.315 -6.924 0.898 1.00 0.00 C ATOM 0 H ALA A 28 -10.118 -7.972 -0.498 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.792 -7.390 2.357 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.778 -6.247 1.563 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.861 -7.914 0.944 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.262 -6.547 -0.123 1.00 0.00 H new ATOM 389 N THR A 29 -9.927 -4.746 2.137 1.00 0.00 N ATOM 390 CA THR A 29 -10.480 -3.406 2.239 1.00 0.00 C ATOM 391 C THR A 29 -9.380 -2.359 2.052 1.00 0.00 C ATOM 392 O THR A 29 -8.232 -2.702 1.775 1.00 0.00 O ATOM 393 CB THR A 29 -11.203 -3.294 3.583 1.00 0.00 C ATOM 394 OG1 THR A 29 -10.151 -3.286 4.544 1.00 0.00 O ATOM 395 CG2 THR A 29 -12.007 -4.551 3.922 1.00 0.00 C ATOM 0 H THR A 29 -9.109 -4.916 2.722 1.00 0.00 H new ATOM 0 HA THR A 29 -11.204 -3.216 1.447 1.00 0.00 H new ATOM 0 HB THR A 29 -11.868 -2.431 3.566 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.531 -3.214 5.444 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.500 -4.419 4.885 1.00 0.00 H new ATOM 0 HG22 THR A 29 -12.758 -4.722 3.150 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.337 -5.409 3.972 1.00 0.00 H new ATOM 403 N VAL A 30 -9.770 -1.103 2.212 1.00 0.00 N ATOM 404 CA VAL A 30 -8.831 -0.004 2.065 1.00 0.00 C ATOM 405 C VAL A 30 -7.670 -0.195 3.042 1.00 0.00 C ATOM 406 O VAL A 30 -6.511 -0.245 2.633 1.00 0.00 O ATOM 407 CB VAL A 30 -9.555 1.331 2.251 1.00 0.00 C ATOM 408 CG1 VAL A 30 -8.563 2.496 2.260 1.00 0.00 C ATOM 409 CG2 VAL A 30 -10.625 1.530 1.175 1.00 0.00 C ATOM 0 H VAL A 30 -10.723 -0.822 2.442 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.410 0.006 1.059 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.055 1.309 3.220 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.103 3.433 2.394 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.856 2.365 3.079 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.022 2.521 1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.124 2.486 1.331 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.157 1.521 0.191 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.357 0.725 1.236 1.00 0.00 H new ATOM 419 N LEU A 31 -8.021 -0.299 4.316 1.00 0.00 N ATOM 420 CA LEU A 31 -7.022 -0.484 5.355 1.00 0.00 C ATOM 421 C LEU A 31 -6.100 -1.642 4.969 1.00 0.00 C ATOM 422 O LEU A 31 -4.883 -1.477 4.908 1.00 0.00 O ATOM 423 CB LEU A 31 -7.694 -0.661 6.718 1.00 0.00 C ATOM 424 CG LEU A 31 -6.841 -1.316 7.806 1.00 0.00 C ATOM 425 CD1 LEU A 31 -6.046 -0.267 8.586 1.00 0.00 C ATOM 426 CD2 LEU A 31 -7.700 -2.185 8.727 1.00 0.00 C ATOM 0 H LEU A 31 -8.983 -0.259 4.652 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.397 0.405 5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.012 0.319 7.074 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.595 -1.259 6.582 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.119 -1.974 7.323 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.448 -0.760 9.353 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.388 0.272 7.904 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.734 0.435 9.057 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.069 -2.639 9.491 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.461 -1.568 9.204 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.182 -2.968 8.142 1.00 0.00 H new ATOM 438 N ASP A 32 -6.715 -2.788 4.718 1.00 0.00 N ATOM 439 CA ASP A 32 -5.965 -3.973 4.340 1.00 0.00 C ATOM 440 C ASP A 32 -4.878 -3.585 3.335 1.00 0.00 C ATOM 441 O ASP A 32 -3.692 -3.797 3.584 1.00 0.00 O ATOM 442 CB ASP A 32 -6.872 -5.012 3.677 1.00 0.00 C ATOM 443 CG ASP A 32 -6.277 -6.418 3.573 1.00 0.00 C ATOM 444 OD1 ASP A 32 -5.078 -6.503 3.230 1.00 0.00 O ATOM 445 OD2 ASP A 32 -7.035 -7.375 3.838 1.00 0.00 O ATOM 0 H ASP A 32 -7.725 -2.921 4.769 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.530 -4.399 5.244 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.805 -5.069 4.238 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.124 -4.665 2.675 1.00 0.00 H new ATOM 450 N LEU A 33 -5.322 -3.021 2.221 1.00 0.00 N ATOM 451 CA LEU A 33 -4.402 -2.601 1.177 1.00 0.00 C ATOM 452 C LEU A 33 -3.164 -1.970 1.818 1.00 0.00 C ATOM 453 O LEU A 33 -2.036 -2.334 1.489 1.00 0.00 O ATOM 454 CB LEU A 33 -5.110 -1.686 0.176 1.00 0.00 C ATOM 455 CG LEU A 33 -4.661 -1.811 -1.281 1.00 0.00 C ATOM 456 CD1 LEU A 33 -3.302 -1.142 -1.496 1.00 0.00 C ATOM 457 CD2 LEU A 33 -4.657 -3.274 -1.729 1.00 0.00 C ATOM 0 H LEU A 33 -6.306 -2.845 2.019 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.060 -3.461 0.601 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.180 -1.887 0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.965 -0.653 0.493 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.381 -1.284 -1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.007 -1.246 -2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.373 -0.084 -1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.557 -1.619 -0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.334 -3.335 -2.768 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.972 -3.845 -1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.662 -3.686 -1.636 1.00 0.00 H new ATOM 469 N LYS A 34 -3.416 -1.036 2.723 1.00 0.00 N ATOM 470 CA LYS A 34 -2.337 -0.351 3.413 1.00 0.00 C ATOM 471 C LYS A 34 -1.494 -1.376 4.176 1.00 0.00 C ATOM 472 O LYS A 34 -0.286 -1.471 3.967 1.00 0.00 O ATOM 473 CB LYS A 34 -2.890 0.769 4.296 1.00 0.00 C ATOM 474 CG LYS A 34 -3.328 1.967 3.451 1.00 0.00 C ATOM 475 CD LYS A 34 -4.787 2.332 3.732 1.00 0.00 C ATOM 476 CE LYS A 34 -4.942 3.838 3.957 1.00 0.00 C ATOM 477 NZ LYS A 34 -4.839 4.566 2.672 1.00 0.00 N ATOM 0 H LYS A 34 -4.353 -0.737 2.994 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.676 0.137 2.696 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.737 0.398 4.873 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.129 1.082 5.011 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.687 2.822 3.667 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.205 1.735 2.393 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.411 2.020 2.895 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.138 1.791 4.611 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.905 4.045 4.423 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.173 4.190 4.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.224 5.526 2.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.841 4.625 2.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.380 4.060 1.942 1.00 0.00 H new ATOM 491 N LYS A 35 -2.166 -2.117 5.045 1.00 0.00 N ATOM 492 CA LYS A 35 -1.494 -3.131 5.841 1.00 0.00 C ATOM 493 C LYS A 35 -0.553 -3.936 4.943 1.00 0.00 C ATOM 494 O LYS A 35 0.611 -4.142 5.284 1.00 0.00 O ATOM 495 CB LYS A 35 -2.516 -3.990 6.587 1.00 0.00 C ATOM 496 CG LYS A 35 -3.288 -3.157 7.612 1.00 0.00 C ATOM 497 CD LYS A 35 -4.037 -4.056 8.598 1.00 0.00 C ATOM 498 CE LYS A 35 -3.634 -3.743 10.041 1.00 0.00 C ATOM 499 NZ LYS A 35 -3.980 -4.873 10.932 1.00 0.00 N ATOM 0 H LYS A 35 -3.168 -2.036 5.215 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.880 -2.666 6.612 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.212 -4.434 5.875 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.007 -4.812 7.090 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.598 -2.512 8.155 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.996 -2.506 7.098 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.111 -3.917 8.478 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.824 -5.102 8.376 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.563 -3.547 10.091 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.140 -2.838 10.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.700 -4.644 11.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.006 -5.041 10.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.478 -5.728 10.619 1.00 0.00 H new ATOM 513 N ALA A 36 -1.091 -4.369 3.812 1.00 0.00 N ATOM 514 CA ALA A 36 -0.314 -5.148 2.863 1.00 0.00 C ATOM 515 C ALA A 36 0.900 -4.332 2.415 1.00 0.00 C ATOM 516 O ALA A 36 2.037 -4.684 2.724 1.00 0.00 O ATOM 517 CB ALA A 36 -1.205 -5.560 1.689 1.00 0.00 C ATOM 0 H ALA A 36 -2.056 -4.195 3.532 1.00 0.00 H new ATOM 0 HA ALA A 36 0.055 -6.062 3.328 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.622 -6.144 0.977 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.037 -6.161 2.057 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.592 -4.668 1.196 1.00 0.00 H new ATOM 523 N ILE A 37 0.617 -3.257 1.693 1.00 0.00 N ATOM 524 CA ILE A 37 1.672 -2.389 1.199 1.00 0.00 C ATOM 525 C ILE A 37 2.737 -2.219 2.284 1.00 0.00 C ATOM 526 O ILE A 37 3.914 -2.029 1.980 1.00 0.00 O ATOM 527 CB ILE A 37 1.087 -1.066 0.699 1.00 0.00 C ATOM 528 CG1 ILE A 37 0.153 -1.295 -0.492 1.00 0.00 C ATOM 529 CG2 ILE A 37 2.196 -0.064 0.373 1.00 0.00 C ATOM 530 CD1 ILE A 37 -0.726 -0.068 -0.742 1.00 0.00 C ATOM 0 H ILE A 37 -0.328 -2.968 1.439 1.00 0.00 H new ATOM 0 HA ILE A 37 2.164 -2.840 0.337 1.00 0.00 H new ATOM 0 HB ILE A 37 0.488 -0.633 1.500 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.741 -1.513 -1.383 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.476 -2.165 -0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.753 0.867 0.020 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.785 0.131 1.269 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.842 -0.476 -0.403 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.380 -0.256 -1.593 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.330 0.133 0.143 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.095 0.795 -0.954 1.00 0.00 H new ATOM 542 N GLN A 38 2.286 -2.293 3.528 1.00 0.00 N ATOM 543 CA GLN A 38 3.186 -2.150 4.660 1.00 0.00 C ATOM 544 C GLN A 38 4.026 -3.417 4.833 1.00 0.00 C ATOM 545 O GLN A 38 5.248 -3.343 4.951 1.00 0.00 O ATOM 546 CB GLN A 38 2.410 -1.827 5.938 1.00 0.00 C ATOM 547 CG GLN A 38 2.541 -0.346 6.299 1.00 0.00 C ATOM 548 CD GLN A 38 1.790 -0.029 7.594 1.00 0.00 C ATOM 549 OE1 GLN A 38 2.374 0.234 8.633 1.00 0.00 O ATOM 550 NE2 GLN A 38 0.466 -0.067 7.475 1.00 0.00 N ATOM 0 H GLN A 38 1.309 -2.450 3.777 1.00 0.00 H new ATOM 0 HA GLN A 38 3.859 -1.316 4.462 1.00 0.00 H new ATOM 0 HB2 GLN A 38 1.359 -2.081 5.803 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.783 -2.440 6.759 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.594 -0.087 6.412 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.148 0.266 5.487 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.041 -0.294 6.576 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.125 0.131 8.283 1.00 0.00 H new ATOM 559 N ARG A 39 3.338 -4.548 4.843 1.00 0.00 N ATOM 560 CA ARG A 39 4.005 -5.829 5.000 1.00 0.00 C ATOM 561 C ARG A 39 4.917 -6.103 3.803 1.00 0.00 C ATOM 562 O ARG A 39 5.716 -7.038 3.827 1.00 0.00 O ATOM 563 CB ARG A 39 2.991 -6.967 5.131 1.00 0.00 C ATOM 564 CG ARG A 39 2.871 -7.431 6.584 1.00 0.00 C ATOM 565 CD ARG A 39 3.204 -8.919 6.714 1.00 0.00 C ATOM 566 NE ARG A 39 3.107 -9.337 8.130 1.00 0.00 N ATOM 567 CZ ARG A 39 4.096 -9.199 9.024 1.00 0.00 C ATOM 568 NH1 ARG A 39 5.263 -8.653 8.654 1.00 0.00 N ATOM 569 NH2 ARG A 39 3.919 -9.607 10.288 1.00 0.00 N ATOM 0 H ARG A 39 2.324 -4.604 4.745 1.00 0.00 H new ATOM 0 HA ARG A 39 4.600 -5.782 5.912 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.018 -6.635 4.770 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.295 -7.804 4.502 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.544 -6.848 7.212 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.859 -7.248 6.945 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.519 -9.508 6.105 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.209 -9.109 6.338 1.00 0.00 H new ATOM 0 HE ARG A 39 2.233 -9.757 8.446 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.398 -8.342 7.692 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.015 -8.548 9.335 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.031 -10.023 10.570 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.672 -9.502 10.968 1.00 0.00 H new ATOM 583 N TYR A 40 4.767 -5.271 2.783 1.00 0.00 N ATOM 584 CA TYR A 40 5.567 -5.411 1.578 1.00 0.00 C ATOM 585 C TYR A 40 6.905 -4.682 1.720 1.00 0.00 C ATOM 586 O TYR A 40 7.937 -5.180 1.274 1.00 0.00 O ATOM 587 CB TYR A 40 4.759 -4.756 0.456 1.00 0.00 C ATOM 588 CG TYR A 40 5.462 -4.761 -0.902 1.00 0.00 C ATOM 589 CD1 TYR A 40 6.581 -3.978 -1.103 1.00 0.00 C ATOM 590 CD2 TYR A 40 4.977 -5.547 -1.927 1.00 0.00 C ATOM 591 CE1 TYR A 40 7.243 -3.983 -2.381 1.00 0.00 C ATOM 592 CE2 TYR A 40 5.639 -5.552 -3.206 1.00 0.00 C ATOM 593 CZ TYR A 40 6.740 -4.770 -3.370 1.00 0.00 C ATOM 594 OH TYR A 40 7.365 -4.774 -4.578 1.00 0.00 O ATOM 0 H TYR A 40 4.103 -4.497 2.766 1.00 0.00 H new ATOM 0 HA TYR A 40 5.781 -6.461 1.380 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.804 -5.273 0.361 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.538 -3.726 0.735 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.960 -3.362 -0.301 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.101 -6.159 -1.770 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.120 -3.375 -2.551 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.270 -6.163 -4.017 1.00 0.00 H new ATOM 0 HH TYR A 40 7.530 -5.699 -4.858 1.00 0.00 H new ATOM 604 N VAL A 41 6.842 -3.514 2.342 1.00 0.00 N ATOM 605 CA VAL A 41 8.036 -2.711 2.548 1.00 0.00 C ATOM 606 C VAL A 41 8.662 -3.073 3.896 1.00 0.00 C ATOM 607 O VAL A 41 9.884 -3.117 4.026 1.00 0.00 O ATOM 608 CB VAL A 41 7.694 -1.225 2.427 1.00 0.00 C ATOM 609 CG1 VAL A 41 8.864 -0.354 2.889 1.00 0.00 C ATOM 610 CG2 VAL A 41 7.279 -0.872 0.997 1.00 0.00 C ATOM 0 H VAL A 41 5.983 -3.104 2.710 1.00 0.00 H new ATOM 0 HA VAL A 41 8.777 -2.924 1.778 1.00 0.00 H new ATOM 0 HB VAL A 41 6.846 -1.022 3.081 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.595 0.698 2.793 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.094 -0.576 3.931 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.738 -0.563 2.273 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.041 0.190 0.939 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.098 -1.099 0.314 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.402 -1.456 0.718 1.00 0.00 H new ATOM 620 N GLN A 42 7.795 -3.323 4.867 1.00 0.00 N ATOM 621 CA GLN A 42 8.248 -3.680 6.201 1.00 0.00 C ATOM 622 C GLN A 42 9.009 -5.007 6.166 1.00 0.00 C ATOM 623 O GLN A 42 10.223 -5.036 6.363 1.00 0.00 O ATOM 624 CB GLN A 42 7.073 -3.746 7.179 1.00 0.00 C ATOM 625 CG GLN A 42 7.524 -3.403 8.601 1.00 0.00 C ATOM 626 CD GLN A 42 7.852 -4.671 9.392 1.00 0.00 C ATOM 627 OE1 GLN A 42 7.530 -5.780 9.000 1.00 0.00 O ATOM 628 NE2 GLN A 42 8.510 -4.445 10.526 1.00 0.00 N ATOM 0 H GLN A 42 6.782 -3.285 4.756 1.00 0.00 H new ATOM 0 HA GLN A 42 8.928 -2.904 6.553 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.293 -3.053 6.864 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.637 -4.745 7.163 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.401 -2.757 8.562 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.739 -2.845 9.111 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.749 -3.491 10.795 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.776 -5.226 11.126 1.00 0.00 H new ATOM 637 N LEU A 43 8.263 -6.073 5.915 1.00 0.00 N ATOM 638 CA LEU A 43 8.852 -7.400 5.852 1.00 0.00 C ATOM 639 C LEU A 43 10.182 -7.328 5.099 1.00 0.00 C ATOM 640 O LEU A 43 11.146 -7.995 5.470 1.00 0.00 O ATOM 641 CB LEU A 43 7.860 -8.399 5.254 1.00 0.00 C ATOM 642 CG LEU A 43 7.953 -8.612 3.742 1.00 0.00 C ATOM 643 CD1 LEU A 43 9.255 -9.322 3.367 1.00 0.00 C ATOM 644 CD2 LEU A 43 6.723 -9.356 3.216 1.00 0.00 C ATOM 0 H LEU A 43 7.256 -6.045 5.753 1.00 0.00 H new ATOM 0 HA LEU A 43 9.072 -7.767 6.855 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.002 -9.361 5.746 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.850 -8.065 5.493 1.00 0.00 H new ATOM 0 HG LEU A 43 7.969 -7.634 3.260 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.296 -9.461 2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.104 -8.718 3.687 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.294 -10.294 3.859 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.815 -9.494 2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.651 -10.329 3.702 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.826 -8.775 3.432 1.00 0.00 H new ATOM 656 N LYS A 44 10.191 -6.511 4.056 1.00 0.00 N ATOM 657 CA LYS A 44 11.386 -6.343 3.247 1.00 0.00 C ATOM 658 C LYS A 44 12.563 -5.978 4.154 1.00 0.00 C ATOM 659 O LYS A 44 13.452 -6.797 4.384 1.00 0.00 O ATOM 660 CB LYS A 44 11.138 -5.333 2.126 1.00 0.00 C ATOM 661 CG LYS A 44 11.645 -5.866 0.785 1.00 0.00 C ATOM 662 CD LYS A 44 10.680 -5.509 -0.348 1.00 0.00 C ATOM 663 CE LYS A 44 11.387 -5.549 -1.704 1.00 0.00 C ATOM 664 NZ LYS A 44 10.537 -6.222 -2.712 1.00 0.00 N ATOM 0 H LYS A 44 9.389 -5.958 3.753 1.00 0.00 H new ATOM 0 HA LYS A 44 11.643 -7.278 2.750 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.072 -5.117 2.056 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.639 -4.394 2.361 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.630 -5.450 0.573 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.762 -6.948 0.841 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.842 -6.206 -0.350 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.267 -4.515 -0.179 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.616 -4.535 -2.031 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.337 -6.076 -1.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.032 -6.241 -3.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.340 -7.196 -2.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.642 -5.703 -2.813 1.00 0.00 H new ATOM 678 N GLN A 45 12.531 -4.748 4.646 1.00 0.00 N ATOM 679 CA GLN A 45 13.583 -4.264 5.523 1.00 0.00 C ATOM 680 C GLN A 45 13.883 -5.297 6.611 1.00 0.00 C ATOM 681 O GLN A 45 15.038 -5.487 6.989 1.00 0.00 O ATOM 682 CB GLN A 45 13.209 -2.914 6.136 1.00 0.00 C ATOM 683 CG GLN A 45 13.368 -1.785 5.115 1.00 0.00 C ATOM 684 CD GLN A 45 13.048 -2.275 3.701 1.00 0.00 C ATOM 685 OE1 GLN A 45 13.812 -2.995 3.079 1.00 0.00 O ATOM 686 NE2 GLN A 45 11.881 -1.846 3.231 1.00 0.00 N ATOM 0 H GLN A 45 11.792 -4.072 4.453 1.00 0.00 H new ATOM 0 HA GLN A 45 14.485 -4.117 4.929 1.00 0.00 H new ATOM 0 HB2 GLN A 45 12.179 -2.945 6.492 1.00 0.00 H new ATOM 0 HB3 GLN A 45 13.840 -2.717 7.003 1.00 0.00 H new ATOM 0 HG2 GLN A 45 12.707 -0.958 5.376 1.00 0.00 H new ATOM 0 HG3 GLN A 45 14.387 -1.401 5.148 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.290 -1.245 3.805 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.577 -2.118 2.296 1.00 0.00 H new ATOM 695 N GLU A 46 12.824 -5.935 7.085 1.00 0.00 N ATOM 696 CA GLU A 46 12.959 -6.943 8.122 1.00 0.00 C ATOM 697 C GLU A 46 13.979 -8.004 7.702 1.00 0.00 C ATOM 698 O GLU A 46 14.860 -8.365 8.481 1.00 0.00 O ATOM 699 CB GLU A 46 11.607 -7.581 8.447 1.00 0.00 C ATOM 700 CG GLU A 46 11.259 -7.406 9.926 1.00 0.00 C ATOM 701 CD GLU A 46 11.577 -8.676 10.719 1.00 0.00 C ATOM 702 OE1 GLU A 46 12.781 -8.912 10.952 1.00 0.00 O ATOM 703 OE2 GLU A 46 10.607 -9.381 11.073 1.00 0.00 O ATOM 0 H GLU A 46 11.868 -5.773 6.770 1.00 0.00 H new ATOM 0 HA GLU A 46 13.321 -6.457 9.028 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.830 -7.128 7.831 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.633 -8.642 8.199 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.819 -6.566 10.338 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.201 -7.165 10.028 1.00 0.00 H new ATOM 710 N ARG A 47 13.825 -8.473 6.473 1.00 0.00 N ATOM 711 CA ARG A 47 14.722 -9.484 5.940 1.00 0.00 C ATOM 712 C ARG A 47 16.074 -8.862 5.587 1.00 0.00 C ATOM 713 O ARG A 47 17.045 -9.577 5.341 1.00 0.00 O ATOM 714 CB ARG A 47 14.130 -10.143 4.692 1.00 0.00 C ATOM 715 CG ARG A 47 12.771 -10.775 4.998 1.00 0.00 C ATOM 716 CD ARG A 47 12.901 -12.287 5.197 1.00 0.00 C ATOM 717 NE ARG A 47 12.965 -12.604 6.641 1.00 0.00 N ATOM 718 CZ ARG A 47 13.245 -13.819 7.131 1.00 0.00 C ATOM 719 NH1 ARG A 47 13.488 -14.839 6.297 1.00 0.00 N ATOM 720 NH2 ARG A 47 13.282 -14.014 8.457 1.00 0.00 N ATOM 0 H ARG A 47 13.092 -8.172 5.831 1.00 0.00 H new ATOM 0 HA ARG A 47 14.858 -10.244 6.709 1.00 0.00 H new ATOM 0 HB2 ARG A 47 14.020 -9.400 3.902 1.00 0.00 H new ATOM 0 HB3 ARG A 47 14.814 -10.906 4.320 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.349 -10.322 5.895 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.079 -10.570 4.181 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.052 -12.796 4.742 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.798 -12.652 4.696 1.00 0.00 H new ATOM 0 HE ARG A 47 12.785 -11.851 7.305 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.460 -14.691 5.288 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.701 -15.764 6.671 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.097 -13.238 9.092 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.495 -14.939 8.831 1.00 0.00 H new ATOM 734 N GLU A 48 16.095 -7.538 5.574 1.00 0.00 N ATOM 735 CA GLU A 48 17.313 -6.811 5.256 1.00 0.00 C ATOM 736 C GLU A 48 17.959 -6.273 6.534 1.00 0.00 C ATOM 737 O GLU A 48 19.026 -5.662 6.484 1.00 0.00 O ATOM 738 CB GLU A 48 17.033 -5.680 4.264 1.00 0.00 C ATOM 739 CG GLU A 48 17.219 -6.157 2.822 1.00 0.00 C ATOM 740 CD GLU A 48 17.393 -4.972 1.871 1.00 0.00 C ATOM 741 OE1 GLU A 48 16.352 -4.402 1.478 1.00 0.00 O ATOM 742 OE2 GLU A 48 18.563 -4.661 1.558 1.00 0.00 O ATOM 0 H GLU A 48 15.288 -6.949 5.779 1.00 0.00 H new ATOM 0 HA GLU A 48 18.012 -7.501 4.782 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.015 -5.314 4.402 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.702 -4.843 4.463 1.00 0.00 H new ATOM 0 HG2 GLU A 48 18.091 -6.808 2.760 1.00 0.00 H new ATOM 0 HG3 GLU A 48 16.356 -6.749 2.517 1.00 0.00 H new ATOM 749 N GLY A 49 17.286 -6.518 7.648 1.00 0.00 N ATOM 750 CA GLY A 49 17.781 -6.065 8.937 1.00 0.00 C ATOM 751 C GLY A 49 16.980 -4.863 9.441 1.00 0.00 C ATOM 752 O GLY A 49 16.346 -4.932 10.493 1.00 0.00 O ATOM 0 H GLY A 49 16.401 -7.025 7.685 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.718 -6.878 9.661 1.00 0.00 H new ATOM 0 HA3 GLY A 49 18.834 -5.795 8.852 1.00 0.00 H new ATOM 756 N GLY A 50 17.034 -3.789 8.666 1.00 0.00 N ATOM 757 CA GLY A 50 16.321 -2.574 9.021 1.00 0.00 C ATOM 758 C GLY A 50 16.951 -1.353 8.348 1.00 0.00 C ATOM 759 O GLY A 50 18.156 -1.327 8.102 1.00 0.00 O ATOM 0 H GLY A 50 17.560 -3.735 7.794 1.00 0.00 H new ATOM 0 HA2 GLY A 50 15.276 -2.660 8.722 1.00 0.00 H new ATOM 0 HA3 GLY A 50 16.333 -2.444 10.103 1.00 0.00 H new ATOM 763 N VAL A 51 16.107 -0.370 8.069 1.00 0.00 N ATOM 764 CA VAL A 51 16.566 0.851 7.429 1.00 0.00 C ATOM 765 C VAL A 51 16.717 1.949 8.484 1.00 0.00 C ATOM 766 O VAL A 51 16.531 1.701 9.674 1.00 0.00 O ATOM 767 CB VAL A 51 15.614 1.238 6.295 1.00 0.00 C ATOM 768 CG1 VAL A 51 14.470 2.111 6.815 1.00 0.00 C ATOM 769 CG2 VAL A 51 16.366 1.937 5.162 1.00 0.00 C ATOM 0 H VAL A 51 15.108 -0.394 8.274 1.00 0.00 H new ATOM 0 HA VAL A 51 17.545 0.699 6.975 1.00 0.00 H new ATOM 0 HB VAL A 51 15.181 0.322 5.893 1.00 0.00 H new ATOM 0 HG11 VAL A 51 13.808 2.372 5.990 1.00 0.00 H new ATOM 0 HG12 VAL A 51 13.908 1.562 7.571 1.00 0.00 H new ATOM 0 HG13 VAL A 51 14.878 3.021 7.255 1.00 0.00 H new ATOM 0 HG21 VAL A 51 15.666 2.201 4.369 1.00 0.00 H new ATOM 0 HG22 VAL A 51 16.840 2.841 5.544 1.00 0.00 H new ATOM 0 HG23 VAL A 51 17.129 1.268 4.764 1.00 0.00 H new ATOM 779 N GLN A 52 17.052 3.140 8.009 1.00 0.00 N ATOM 780 CA GLN A 52 17.230 4.276 8.897 1.00 0.00 C ATOM 781 C GLN A 52 15.993 4.459 9.779 1.00 0.00 C ATOM 782 O GLN A 52 16.053 4.251 10.989 1.00 0.00 O ATOM 783 CB GLN A 52 17.531 5.549 8.104 1.00 0.00 C ATOM 784 CG GLN A 52 18.693 5.329 7.133 1.00 0.00 C ATOM 785 CD GLN A 52 18.362 5.882 5.746 1.00 0.00 C ATOM 786 OE1 GLN A 52 17.496 5.387 5.043 1.00 0.00 O ATOM 787 NE2 GLN A 52 19.097 6.932 5.392 1.00 0.00 N ATOM 0 H GLN A 52 17.205 3.343 7.021 1.00 0.00 H new ATOM 0 HA GLN A 52 18.086 4.078 9.542 1.00 0.00 H new ATOM 0 HB2 GLN A 52 16.643 5.855 7.551 1.00 0.00 H new ATOM 0 HB3 GLN A 52 17.775 6.360 8.790 1.00 0.00 H new ATOM 0 HG2 GLN A 52 19.590 5.815 7.518 1.00 0.00 H new ATOM 0 HG3 GLN A 52 18.914 4.264 7.060 1.00 0.00 H new ATOM 0 HE21 GLN A 52 19.806 7.296 6.029 1.00 0.00 H new ATOM 0 HE22 GLN A 52 18.952 7.373 4.484 1.00 0.00 H new ATOM 796 N HIS A 53 14.901 4.848 9.137 1.00 0.00 N ATOM 797 CA HIS A 53 13.652 5.062 9.848 1.00 0.00 C ATOM 798 C HIS A 53 12.546 5.413 8.850 1.00 0.00 C ATOM 799 O HIS A 53 12.720 6.295 8.011 1.00 0.00 O ATOM 800 CB HIS A 53 13.822 6.119 10.941 1.00 0.00 C ATOM 801 CG HIS A 53 14.134 7.500 10.415 1.00 0.00 C ATOM 802 ND1 HIS A 53 15.417 8.017 10.381 1.00 0.00 N ATOM 803 CD2 HIS A 53 13.317 8.464 9.902 1.00 0.00 C ATOM 804 CE1 HIS A 53 15.363 9.238 9.870 1.00 0.00 C ATOM 805 NE2 HIS A 53 14.060 9.514 9.574 1.00 0.00 N ATOM 0 H HIS A 53 14.855 5.020 8.133 1.00 0.00 H new ATOM 0 HA HIS A 53 13.357 4.143 10.355 1.00 0.00 H new ATOM 0 HB2 HIS A 53 12.908 6.165 11.534 1.00 0.00 H new ATOM 0 HB3 HIS A 53 14.622 5.807 11.612 1.00 0.00 H new ATOM 0 HD2 HIS A 53 12.246 8.386 9.783 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.203 9.899 9.715 1.00 0.00 H new ATOM 0 HE2 HIS A 53 13.714 10.383 9.168 1.00 0.00 H new ATOM 813 N ILE A 54 11.434 4.704 8.974 1.00 0.00 N ATOM 814 CA ILE A 54 10.301 4.930 8.094 1.00 0.00 C ATOM 815 C ILE A 54 9.150 5.541 8.896 1.00 0.00 C ATOM 816 O ILE A 54 8.733 4.985 9.911 1.00 0.00 O ATOM 817 CB ILE A 54 9.924 3.639 7.364 1.00 0.00 C ATOM 818 CG1 ILE A 54 11.142 3.025 6.671 1.00 0.00 C ATOM 819 CG2 ILE A 54 8.769 3.877 6.388 1.00 0.00 C ATOM 820 CD1 ILE A 54 10.778 1.702 5.993 1.00 0.00 C ATOM 0 H ILE A 54 11.294 3.973 9.671 1.00 0.00 H new ATOM 0 HA ILE A 54 10.562 5.646 7.315 1.00 0.00 H new ATOM 0 HB ILE A 54 9.577 2.918 8.104 1.00 0.00 H new ATOM 0 HG12 ILE A 54 11.533 3.722 5.930 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.934 2.858 7.401 1.00 0.00 H new ATOM 0 HG21 ILE A 54 8.521 2.943 5.883 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.898 4.235 6.936 1.00 0.00 H new ATOM 0 HG23 ILE A 54 9.065 4.622 5.649 1.00 0.00 H new ATOM 0 HD11 ILE A 54 11.661 1.287 5.508 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.410 0.999 6.741 1.00 0.00 H new ATOM 0 HD13 ILE A 54 10.003 1.877 5.247 1.00 0.00 H new ATOM 832 N SER A 55 8.670 6.677 8.411 1.00 0.00 N ATOM 833 CA SER A 55 7.577 7.369 9.071 1.00 0.00 C ATOM 834 C SER A 55 6.250 7.015 8.396 1.00 0.00 C ATOM 835 O SER A 55 5.587 7.882 7.828 1.00 0.00 O ATOM 836 CB SER A 55 7.793 8.884 9.053 1.00 0.00 C ATOM 837 OG SER A 55 7.388 9.495 10.275 1.00 0.00 O ATOM 0 H SER A 55 9.018 7.135 7.569 1.00 0.00 H new ATOM 0 HA SER A 55 7.546 7.046 10.111 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.846 9.098 8.872 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.233 9.320 8.226 1.00 0.00 H new ATOM 0 HG SER A 55 7.543 10.461 10.225 1.00 0.00 H new ATOM 843 N TRP A 56 5.902 5.739 8.479 1.00 0.00 N ATOM 844 CA TRP A 56 4.667 5.260 7.883 1.00 0.00 C ATOM 845 C TRP A 56 3.517 6.106 8.433 1.00 0.00 C ATOM 846 O TRP A 56 2.648 6.543 7.680 1.00 0.00 O ATOM 847 CB TRP A 56 4.481 3.762 8.136 1.00 0.00 C ATOM 848 CG TRP A 56 5.119 2.867 7.072 1.00 0.00 C ATOM 849 CD1 TRP A 56 6.035 1.905 7.244 1.00 0.00 C ATOM 850 CD2 TRP A 56 4.850 2.891 5.654 1.00 0.00 C ATOM 851 NE1 TRP A 56 6.375 1.309 6.047 1.00 0.00 N ATOM 852 CE2 TRP A 56 5.631 1.928 5.049 1.00 0.00 C ATOM 853 CE3 TRP A 56 3.975 3.701 4.908 1.00 0.00 C ATOM 854 CZ2 TRP A 56 5.616 1.683 3.671 1.00 0.00 C ATOM 855 CZ3 TRP A 56 3.972 3.444 3.532 1.00 0.00 C ATOM 856 CH2 TRP A 56 4.752 2.477 2.907 1.00 0.00 C ATOM 0 H TRP A 56 6.454 5.022 8.950 1.00 0.00 H new ATOM 0 HA TRP A 56 4.694 5.371 6.799 1.00 0.00 H new ATOM 0 HB2 TRP A 56 4.906 3.513 9.108 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.415 3.543 8.189 1.00 0.00 H new ATOM 0 HD1 TRP A 56 6.455 1.630 8.200 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.048 0.554 5.918 1.00 0.00 H new ATOM 0 HE3 TRP A 56 3.355 4.461 5.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.237 0.923 3.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 3.318 4.039 2.912 1.00 0.00 H new ATOM 0 HH2 TRP A 56 4.692 2.339 1.838 1.00 0.00 H new ATOM 867 N SER A 57 3.550 6.313 9.741 1.00 0.00 N ATOM 868 CA SER A 57 2.521 7.099 10.401 1.00 0.00 C ATOM 869 C SER A 57 2.155 8.309 9.539 1.00 0.00 C ATOM 870 O SER A 57 1.009 8.449 9.114 1.00 0.00 O ATOM 871 CB SER A 57 2.980 7.554 11.787 1.00 0.00 C ATOM 872 OG SER A 57 2.659 6.599 12.796 1.00 0.00 O ATOM 0 H SER A 57 4.273 5.950 10.362 1.00 0.00 H new ATOM 0 HA SER A 57 1.639 6.471 10.529 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.057 7.721 11.775 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.512 8.508 12.029 1.00 0.00 H new ATOM 0 HG SER A 57 2.970 6.925 13.666 1.00 0.00 H new ATOM 878 N TYR A 58 3.150 9.153 9.307 1.00 0.00 N ATOM 879 CA TYR A 58 2.947 10.347 8.504 1.00 0.00 C ATOM 880 C TYR A 58 2.508 9.984 7.084 1.00 0.00 C ATOM 881 O TYR A 58 1.515 10.510 6.583 1.00 0.00 O ATOM 882 CB TYR A 58 4.304 11.049 8.442 1.00 0.00 C ATOM 883 CG TYR A 58 4.372 12.183 7.417 1.00 0.00 C ATOM 884 CD1 TYR A 58 3.896 13.437 7.743 1.00 0.00 C ATOM 885 CD2 TYR A 58 4.908 11.952 6.167 1.00 0.00 C ATOM 886 CE1 TYR A 58 3.960 14.504 6.778 1.00 0.00 C ATOM 887 CE2 TYR A 58 4.972 13.019 5.202 1.00 0.00 C ATOM 888 CZ TYR A 58 4.495 14.243 5.555 1.00 0.00 C ATOM 889 OH TYR A 58 4.555 15.251 4.644 1.00 0.00 O ATOM 0 H TYR A 58 4.099 9.034 9.661 1.00 0.00 H new ATOM 0 HA TYR A 58 2.171 10.976 8.940 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.540 11.450 9.428 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.072 10.313 8.205 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.476 13.618 8.721 1.00 0.00 H new ATOM 0 HD2 TYR A 58 5.280 10.971 5.912 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.591 15.490 7.020 1.00 0.00 H new ATOM 0 HE2 TYR A 58 5.389 12.851 4.220 1.00 0.00 H new ATOM 0 HH TYR A 58 4.962 14.920 3.816 1.00 0.00 H new ATOM 899 N VAL A 59 3.269 9.087 6.474 1.00 0.00 N ATOM 900 CA VAL A 59 2.972 8.648 5.122 1.00 0.00 C ATOM 901 C VAL A 59 1.468 8.400 4.990 1.00 0.00 C ATOM 902 O VAL A 59 0.794 9.058 4.199 1.00 0.00 O ATOM 903 CB VAL A 59 3.813 7.418 4.774 1.00 0.00 C ATOM 904 CG1 VAL A 59 3.314 6.759 3.486 1.00 0.00 C ATOM 905 CG2 VAL A 59 5.295 7.780 4.666 1.00 0.00 C ATOM 0 H VAL A 59 4.091 8.652 6.892 1.00 0.00 H new ATOM 0 HA VAL A 59 3.239 9.422 4.402 1.00 0.00 H new ATOM 0 HB VAL A 59 3.703 6.697 5.584 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.929 5.887 3.261 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.277 6.448 3.614 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.380 7.471 2.664 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.870 6.888 4.418 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.431 8.528 3.885 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.642 8.182 5.618 1.00 0.00 H new ATOM 915 N TRP A 60 0.986 7.449 5.777 1.00 0.00 N ATOM 916 CA TRP A 60 -0.426 7.107 5.758 1.00 0.00 C ATOM 917 C TRP A 60 -1.217 8.335 6.211 1.00 0.00 C ATOM 918 O TRP A 60 -2.307 8.598 5.705 1.00 0.00 O ATOM 919 CB TRP A 60 -0.702 5.869 6.615 1.00 0.00 C ATOM 920 CG TRP A 60 0.018 4.607 6.135 1.00 0.00 C ATOM 921 CD1 TRP A 60 0.874 3.835 6.818 1.00 0.00 C ATOM 922 CD2 TRP A 60 -0.091 3.999 4.831 1.00 0.00 C ATOM 923 NE1 TRP A 60 1.322 2.778 6.053 1.00 0.00 N ATOM 924 CE2 TRP A 60 0.717 2.880 4.806 1.00 0.00 C ATOM 925 CE3 TRP A 60 -0.848 4.380 3.709 1.00 0.00 C ATOM 926 CZ2 TRP A 60 0.846 2.052 3.685 1.00 0.00 C ATOM 927 CZ3 TRP A 60 -0.708 3.542 2.596 1.00 0.00 C ATOM 928 CH2 TRP A 60 0.101 2.413 2.556 1.00 0.00 C ATOM 0 H TRP A 60 1.548 6.905 6.432 1.00 0.00 H new ATOM 0 HA TRP A 60 -0.744 6.841 4.750 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -0.403 6.077 7.642 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -1.775 5.680 6.627 1.00 0.00 H new ATOM 0 HD1 TRP A 60 1.175 4.017 7.839 1.00 0.00 H new ATOM 0 HE1 TRP A 60 1.977 2.054 6.348 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.487 5.251 3.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 1.486 1.182 3.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.268 3.791 1.707 1.00 0.00 H new ATOM 0 HH2 TRP A 60 0.155 1.816 1.657 1.00 0.00 H new ATOM 939 N ARG A 61 -0.637 9.056 7.159 1.00 0.00 N ATOM 940 CA ARG A 61 -1.274 10.251 7.686 1.00 0.00 C ATOM 941 C ARG A 61 -0.896 11.470 6.842 1.00 0.00 C ATOM 942 O ARG A 61 -0.551 12.520 7.382 1.00 0.00 O ATOM 943 CB ARG A 61 -0.865 10.499 9.139 1.00 0.00 C ATOM 944 CG ARG A 61 -1.830 11.468 9.824 1.00 0.00 C ATOM 945 CD ARG A 61 -1.183 12.841 10.019 1.00 0.00 C ATOM 946 NE ARG A 61 -1.401 13.311 11.405 1.00 0.00 N ATOM 947 CZ ARG A 61 -0.861 12.734 12.487 1.00 0.00 C ATOM 948 NH1 ARG A 61 -0.068 11.662 12.350 1.00 0.00 N ATOM 949 NH2 ARG A 61 -1.114 13.228 13.707 1.00 0.00 N ATOM 0 H ARG A 61 0.267 8.836 7.576 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.352 10.097 7.646 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.847 9.554 9.682 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.146 10.904 9.171 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.735 11.570 9.225 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.132 11.064 10.790 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.115 12.782 9.810 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.607 13.555 9.313 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.000 14.125 11.545 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.125 11.285 11.422 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.343 11.223 13.174 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.718 14.043 13.812 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.703 12.789 14.531 1.00 0.00 H new ATOM 963 N THR A 62 -0.975 11.290 5.532 1.00 0.00 N ATOM 964 CA THR A 62 -0.645 12.362 4.608 1.00 0.00 C ATOM 965 C THR A 62 -1.213 12.063 3.219 1.00 0.00 C ATOM 966 O THR A 62 -1.900 12.898 2.632 1.00 0.00 O ATOM 967 CB THR A 62 0.874 12.544 4.617 1.00 0.00 C ATOM 968 OG1 THR A 62 1.133 13.242 5.832 1.00 0.00 O ATOM 969 CG2 THR A 62 1.355 13.503 3.526 1.00 0.00 C ATOM 0 H THR A 62 -1.263 10.418 5.088 1.00 0.00 H new ATOM 0 HA THR A 62 -1.101 13.303 4.916 1.00 0.00 H new ATOM 0 HB THR A 62 1.356 11.575 4.487 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.284 13.497 6.250 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.440 13.597 3.576 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.069 13.115 2.548 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.899 14.482 3.675 1.00 0.00 H new ATOM 977 N TYR A 63 -0.905 10.869 2.734 1.00 0.00 N ATOM 978 CA TYR A 63 -1.376 10.449 1.425 1.00 0.00 C ATOM 979 C TYR A 63 -2.341 9.267 1.543 1.00 0.00 C ATOM 980 O TYR A 63 -2.177 8.411 2.411 1.00 0.00 O ATOM 981 CB TYR A 63 -0.134 10.003 0.653 1.00 0.00 C ATOM 982 CG TYR A 63 0.866 11.129 0.378 1.00 0.00 C ATOM 983 CD1 TYR A 63 0.692 11.955 -0.714 1.00 0.00 C ATOM 984 CD2 TYR A 63 1.941 11.318 1.223 1.00 0.00 C ATOM 985 CE1 TYR A 63 1.633 13.014 -0.972 1.00 0.00 C ATOM 986 CE2 TYR A 63 2.881 12.377 0.965 1.00 0.00 C ATOM 987 CZ TYR A 63 2.681 13.173 -0.120 1.00 0.00 C ATOM 988 OH TYR A 63 3.569 14.174 -0.364 1.00 0.00 O ATOM 0 H TYR A 63 -0.335 10.179 3.224 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.907 11.262 0.929 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.367 9.215 1.215 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.446 9.568 -0.297 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.149 11.807 -1.375 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.077 10.671 2.077 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.509 13.667 -1.823 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.726 12.536 1.618 1.00 0.00 H new ATOM 0 HH TYR A 63 4.265 14.170 0.326 1.00 0.00 H new ATOM 998 N HIS A 64 -3.325 9.257 0.656 1.00 0.00 N ATOM 999 CA HIS A 64 -4.316 8.194 0.650 1.00 0.00 C ATOM 1000 C HIS A 64 -4.188 7.381 -0.640 1.00 0.00 C ATOM 1001 O HIS A 64 -3.347 7.681 -1.486 1.00 0.00 O ATOM 1002 CB HIS A 64 -5.722 8.760 0.856 1.00 0.00 C ATOM 1003 CG HIS A 64 -6.003 9.205 2.272 1.00 0.00 C ATOM 1004 ND1 HIS A 64 -6.252 8.316 3.302 1.00 0.00 N ATOM 1005 CD2 HIS A 64 -6.071 10.454 2.816 1.00 0.00 C ATOM 1006 CE1 HIS A 64 -6.460 9.009 4.412 1.00 0.00 C ATOM 1007 NE2 HIS A 64 -6.347 10.334 4.109 1.00 0.00 N ATOM 0 H HIS A 64 -3.457 9.968 -0.063 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.134 7.518 1.485 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.864 9.607 0.185 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.453 8.003 0.572 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -6.272 7.299 3.221 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -5.925 11.383 2.285 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.680 8.597 5.386 1.00 0.00 H new ATOM 1015 N LEU A 65 -5.035 6.368 -0.750 1.00 0.00 N ATOM 1016 CA LEU A 65 -5.027 5.509 -1.922 1.00 0.00 C ATOM 1017 C LEU A 65 -6.209 5.873 -2.823 1.00 0.00 C ATOM 1018 O LEU A 65 -7.338 5.997 -2.351 1.00 0.00 O ATOM 1019 CB LEU A 65 -4.999 4.037 -1.508 1.00 0.00 C ATOM 1020 CG LEU A 65 -3.826 3.611 -0.622 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -4.012 2.179 -0.118 1.00 0.00 C ATOM 1022 CD2 LEU A 65 -2.494 3.793 -1.352 1.00 0.00 C ATOM 0 H LEU A 65 -5.732 6.123 -0.046 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.120 5.668 -2.505 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.927 3.810 -0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.987 3.426 -2.411 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.805 4.260 0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.165 1.901 0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.931 2.115 0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.073 1.499 -0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.677 3.483 -0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.488 3.184 -2.256 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.366 4.842 -1.620 1.00 0.00 H new ATOM 1034 N THR A 66 -5.908 6.034 -4.103 1.00 0.00 N ATOM 1035 CA THR A 66 -6.932 6.381 -5.074 1.00 0.00 C ATOM 1036 C THR A 66 -7.159 5.221 -6.046 1.00 0.00 C ATOM 1037 O THR A 66 -6.333 4.315 -6.142 1.00 0.00 O ATOM 1038 CB THR A 66 -6.508 7.678 -5.765 1.00 0.00 C ATOM 1039 OG1 THR A 66 -7.230 7.670 -6.994 1.00 0.00 O ATOM 1040 CG2 THR A 66 -5.040 7.660 -6.196 1.00 0.00 C ATOM 0 H THR A 66 -4.970 5.931 -4.490 1.00 0.00 H new ATOM 0 HA THR A 66 -7.894 6.553 -4.591 1.00 0.00 H new ATOM 0 HB THR A 66 -6.679 8.519 -5.093 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.015 8.478 -7.505 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.792 8.604 -6.681 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.405 7.524 -5.320 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.876 6.839 -6.894 1.00 0.00 H new ATOM 1048 N SER A 67 -8.285 5.288 -6.743 1.00 0.00 N ATOM 1049 CA SER A 67 -8.631 4.255 -7.704 1.00 0.00 C ATOM 1050 C SER A 67 -10.006 4.544 -8.310 1.00 0.00 C ATOM 1051 O SER A 67 -10.892 5.061 -7.631 1.00 0.00 O ATOM 1052 CB SER A 67 -8.619 2.870 -7.054 1.00 0.00 C ATOM 1053 OG SER A 67 -9.333 1.910 -7.827 1.00 0.00 O ATOM 0 H SER A 67 -8.968 6.041 -6.661 1.00 0.00 H new ATOM 0 HA SER A 67 -7.882 4.261 -8.496 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.588 2.539 -6.927 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.059 2.933 -6.059 1.00 0.00 H new ATOM 0 HG SER A 67 -8.777 1.113 -7.954 1.00 0.00 H new ATOM 1059 N ALA A 68 -10.142 4.197 -9.582 1.00 0.00 N ATOM 1060 CA ALA A 68 -11.394 4.413 -10.287 1.00 0.00 C ATOM 1061 C ALA A 68 -11.867 5.849 -10.049 1.00 0.00 C ATOM 1062 O ALA A 68 -13.066 6.124 -10.075 1.00 0.00 O ATOM 1063 CB ALA A 68 -12.423 3.377 -9.829 1.00 0.00 C ATOM 0 H ALA A 68 -9.406 3.768 -10.142 1.00 0.00 H new ATOM 0 HA ALA A 68 -11.257 4.284 -11.361 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -13.362 3.539 -10.358 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -12.052 2.375 -10.046 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -12.588 3.478 -8.756 1.00 0.00 H new ATOM 1069 N GLY A 69 -10.901 6.727 -9.822 1.00 0.00 N ATOM 1070 CA GLY A 69 -11.203 8.127 -9.580 1.00 0.00 C ATOM 1071 C GLY A 69 -11.976 8.303 -8.272 1.00 0.00 C ATOM 1072 O GLY A 69 -12.794 9.213 -8.147 1.00 0.00 O ATOM 0 H GLY A 69 -9.908 6.495 -9.801 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.277 8.701 -9.539 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.788 8.525 -10.409 1.00 0.00 H new ATOM 1076 N GLU A 70 -11.690 7.416 -7.329 1.00 0.00 N ATOM 1077 CA GLU A 70 -12.348 7.462 -6.035 1.00 0.00 C ATOM 1078 C GLU A 70 -11.311 7.440 -4.911 1.00 0.00 C ATOM 1079 O GLU A 70 -10.306 6.736 -5.002 1.00 0.00 O ATOM 1080 CB GLU A 70 -13.344 6.310 -5.885 1.00 0.00 C ATOM 1081 CG GLU A 70 -14.721 6.700 -6.425 1.00 0.00 C ATOM 1082 CD GLU A 70 -15.779 6.645 -5.322 1.00 0.00 C ATOM 1083 OE1 GLU A 70 -16.037 5.521 -4.839 1.00 0.00 O ATOM 1084 OE2 GLU A 70 -16.306 7.728 -4.986 1.00 0.00 O ATOM 0 H GLU A 70 -11.012 6.662 -7.436 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.908 8.394 -5.967 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.975 5.434 -6.419 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.427 6.031 -4.835 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.680 7.705 -6.844 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -15.001 6.028 -7.236 1.00 0.00 H new ATOM 1091 N LYS A 71 -11.589 8.219 -3.876 1.00 0.00 N ATOM 1092 CA LYS A 71 -10.692 8.298 -2.736 1.00 0.00 C ATOM 1093 C LYS A 71 -10.927 7.093 -1.823 1.00 0.00 C ATOM 1094 O LYS A 71 -12.012 6.936 -1.264 1.00 0.00 O ATOM 1095 CB LYS A 71 -10.844 9.645 -2.026 1.00 0.00 C ATOM 1096 CG LYS A 71 -10.662 10.805 -3.008 1.00 0.00 C ATOM 1097 CD LYS A 71 -10.390 12.115 -2.265 1.00 0.00 C ATOM 1098 CE LYS A 71 -9.278 12.913 -2.948 1.00 0.00 C ATOM 1099 NZ LYS A 71 -9.500 14.365 -2.774 1.00 0.00 N ATOM 0 H LYS A 71 -12.423 8.801 -3.803 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.654 8.252 -3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.829 9.707 -1.563 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.109 9.723 -1.225 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.835 10.588 -3.684 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.556 10.910 -3.622 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.301 12.712 -2.229 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.108 11.901 -1.234 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.312 12.634 -2.528 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.247 12.669 -4.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.736 14.892 -3.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.413 14.630 -3.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.507 14.596 -1.760 1.00 0.00 H new ATOM 1113 N LEU A 72 -9.894 6.273 -1.701 1.00 0.00 N ATOM 1114 CA LEU A 72 -9.975 5.087 -0.865 1.00 0.00 C ATOM 1115 C LEU A 72 -9.728 5.477 0.593 1.00 0.00 C ATOM 1116 O LEU A 72 -8.598 5.410 1.075 1.00 0.00 O ATOM 1117 CB LEU A 72 -9.026 4.003 -1.381 1.00 0.00 C ATOM 1118 CG LEU A 72 -9.094 3.710 -2.881 1.00 0.00 C ATOM 1119 CD1 LEU A 72 -7.836 2.978 -3.354 1.00 0.00 C ATOM 1120 CD2 LEU A 72 -10.370 2.943 -3.233 1.00 0.00 C ATOM 0 H LEU A 72 -8.996 6.406 -2.167 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.974 4.654 -0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.005 4.294 -1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.234 3.079 -0.841 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.133 4.660 -3.413 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.910 2.782 -4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.960 3.596 -3.158 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.741 2.034 -2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.393 2.748 -4.305 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.387 1.997 -2.691 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.240 3.537 -2.954 1.00 0.00 H new ATOM 1132 N THR A 73 -10.803 5.878 1.255 1.00 0.00 N ATOM 1133 CA THR A 73 -10.717 6.280 2.649 1.00 0.00 C ATOM 1134 C THR A 73 -11.353 5.219 3.550 1.00 0.00 C ATOM 1135 O THR A 73 -10.673 4.616 4.379 1.00 0.00 O ATOM 1136 CB THR A 73 -11.365 7.659 2.785 1.00 0.00 C ATOM 1137 OG1 THR A 73 -12.690 7.470 2.294 1.00 0.00 O ATOM 1138 CG2 THR A 73 -10.757 8.688 1.829 1.00 0.00 C ATOM 0 H THR A 73 -11.738 5.933 0.852 1.00 0.00 H new ATOM 0 HA THR A 73 -9.680 6.359 2.974 1.00 0.00 H new ATOM 0 HB THR A 73 -11.260 8.010 3.812 1.00 0.00 H new ATOM 0 HG1 THR A 73 -13.182 8.316 2.348 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.252 9.649 1.966 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.693 8.795 2.039 1.00 0.00 H new ATOM 0 HG23 THR A 73 -10.892 8.354 0.800 1.00 0.00 H new ATOM 1146 N GLU A 74 -12.649 5.023 3.356 1.00 0.00 N ATOM 1147 CA GLU A 74 -13.383 4.046 4.141 1.00 0.00 C ATOM 1148 C GLU A 74 -12.575 2.753 4.270 1.00 0.00 C ATOM 1149 O GLU A 74 -12.111 2.205 3.271 1.00 0.00 O ATOM 1150 CB GLU A 74 -14.759 3.774 3.529 1.00 0.00 C ATOM 1151 CG GLU A 74 -15.874 4.055 4.539 1.00 0.00 C ATOM 1152 CD GLU A 74 -17.065 4.737 3.865 1.00 0.00 C ATOM 1153 OE1 GLU A 74 -16.855 5.846 3.328 1.00 0.00 O ATOM 1154 OE2 GLU A 74 -18.160 4.135 3.902 1.00 0.00 O ATOM 0 H GLU A 74 -13.209 5.524 2.667 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.540 4.454 5.139 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.898 4.398 2.646 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -14.815 2.737 3.199 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.197 3.121 4.998 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.493 4.689 5.340 1.00 0.00 H new ATOM 1161 N ASP A 75 -12.432 2.303 5.508 1.00 0.00 N ATOM 1162 CA ASP A 75 -11.688 1.085 5.780 1.00 0.00 C ATOM 1163 C ASP A 75 -12.661 -0.093 5.869 1.00 0.00 C ATOM 1164 O ASP A 75 -12.386 -1.171 5.346 1.00 0.00 O ATOM 1165 CB ASP A 75 -10.941 1.182 7.111 1.00 0.00 C ATOM 1166 CG ASP A 75 -10.910 2.578 7.735 1.00 0.00 C ATOM 1167 OD1 ASP A 75 -11.869 2.890 8.475 1.00 0.00 O ATOM 1168 OD2 ASP A 75 -9.930 3.302 7.459 1.00 0.00 O ATOM 0 H ASP A 75 -12.819 2.760 6.334 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.970 0.941 4.973 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.402 0.494 7.820 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -9.915 0.845 6.960 1.00 0.00 H new ATOM 1173 N ARG A 76 -13.780 0.154 6.535 1.00 0.00 N ATOM 1174 CA ARG A 76 -14.795 -0.872 6.699 1.00 0.00 C ATOM 1175 C ARG A 76 -15.332 -1.310 5.336 1.00 0.00 C ATOM 1176 O ARG A 76 -15.936 -2.375 5.215 1.00 0.00 O ATOM 1177 CB ARG A 76 -15.955 -0.366 7.559 1.00 0.00 C ATOM 1178 CG ARG A 76 -15.708 -0.658 9.040 1.00 0.00 C ATOM 1179 CD ARG A 76 -16.336 -1.992 9.449 1.00 0.00 C ATOM 1180 NE ARG A 76 -15.729 -2.472 10.710 1.00 0.00 N ATOM 1181 CZ ARG A 76 -16.233 -3.464 11.457 1.00 0.00 C ATOM 1182 NH1 ARG A 76 -17.355 -4.088 11.073 1.00 0.00 N ATOM 1183 NH2 ARG A 76 -15.614 -3.833 12.587 1.00 0.00 N ATOM 0 H ARG A 76 -14.006 1.050 6.967 1.00 0.00 H new ATOM 0 HA ARG A 76 -14.330 -1.722 7.200 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -16.080 0.707 7.412 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -16.883 -0.842 7.241 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -14.636 -0.682 9.236 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -16.125 0.145 9.647 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -17.412 -1.873 9.576 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -16.188 -2.730 8.661 1.00 0.00 H new ATOM 0 HE ARG A 76 -14.873 -2.019 11.031 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -17.825 -3.808 10.212 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -17.739 -4.843 11.641 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -14.759 -3.359 12.879 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -15.998 -4.588 13.155 1.00 0.00 H new ATOM 1197 N LYS A 77 -15.093 -0.467 4.342 1.00 0.00 N ATOM 1198 CA LYS A 77 -15.546 -0.754 2.992 1.00 0.00 C ATOM 1199 C LYS A 77 -14.500 -1.615 2.280 1.00 0.00 C ATOM 1200 O LYS A 77 -13.306 -1.324 2.341 1.00 0.00 O ATOM 1201 CB LYS A 77 -15.881 0.543 2.252 1.00 0.00 C ATOM 1202 CG LYS A 77 -16.587 0.252 0.926 1.00 0.00 C ATOM 1203 CD LYS A 77 -17.161 1.533 0.318 1.00 0.00 C ATOM 1204 CE LYS A 77 -18.397 1.230 -0.532 1.00 0.00 C ATOM 1205 NZ LYS A 77 -19.130 2.477 -0.844 1.00 0.00 N ATOM 0 H LYS A 77 -14.591 0.415 4.445 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.472 -1.329 3.015 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -16.518 1.168 2.877 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.966 1.106 2.065 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.884 -0.203 0.228 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -17.388 -0.469 1.087 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -17.424 2.231 1.113 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.403 2.020 -0.296 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -18.098 0.736 -1.456 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -19.052 0.540 0.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -19.966 2.253 -1.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -19.432 2.933 0.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -18.508 3.123 -1.371 1.00 0.00 H new ATOM 1219 N LYS A 78 -14.987 -2.657 1.622 1.00 0.00 N ATOM 1220 CA LYS A 78 -14.109 -3.562 0.900 1.00 0.00 C ATOM 1221 C LYS A 78 -13.785 -2.965 -0.471 1.00 0.00 C ATOM 1222 O LYS A 78 -14.588 -2.224 -1.035 1.00 0.00 O ATOM 1223 CB LYS A 78 -14.722 -4.962 0.832 1.00 0.00 C ATOM 1224 CG LYS A 78 -15.104 -5.462 2.227 1.00 0.00 C ATOM 1225 CD LYS A 78 -16.543 -5.980 2.248 1.00 0.00 C ATOM 1226 CE LYS A 78 -16.701 -7.117 3.260 1.00 0.00 C ATOM 1227 NZ LYS A 78 -17.069 -6.581 4.589 1.00 0.00 N ATOM 0 H LYS A 78 -15.978 -2.895 1.574 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.163 -3.679 1.429 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -15.605 -4.946 0.193 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -14.012 -5.652 0.376 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.423 -6.257 2.532 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.994 -4.654 2.950 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -17.223 -5.166 2.501 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -16.822 -6.331 1.254 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -17.467 -7.813 2.917 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -15.770 -7.679 3.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -17.172 -7.366 5.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -16.325 -5.935 4.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -17.969 -6.065 4.518 1.00 0.00 H new ATOM 1241 N LEU A 79 -12.606 -3.311 -0.968 1.00 0.00 N ATOM 1242 CA LEU A 79 -12.166 -2.819 -2.262 1.00 0.00 C ATOM 1243 C LEU A 79 -13.183 -3.225 -3.330 1.00 0.00 C ATOM 1244 O LEU A 79 -13.441 -2.470 -4.266 1.00 0.00 O ATOM 1245 CB LEU A 79 -10.741 -3.291 -2.558 1.00 0.00 C ATOM 1246 CG LEU A 79 -9.719 -3.082 -1.439 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -8.327 -3.543 -1.875 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -9.718 -1.629 -0.961 1.00 0.00 C ATOM 0 H LEU A 79 -11.942 -3.926 -0.497 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.123 -1.730 -2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.774 -4.354 -2.799 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.386 -2.773 -3.449 1.00 0.00 H new ATOM 0 HG LEU A 79 -10.012 -3.700 -0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.619 -3.383 -1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.357 -4.603 -2.127 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.011 -2.971 -2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.983 -1.508 -0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.464 -0.972 -1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.707 -1.370 -0.583 1.00 0.00 H new ATOM 1260 N ARG A 80 -13.733 -4.418 -3.155 1.00 0.00 N ATOM 1261 CA ARG A 80 -14.716 -4.934 -4.092 1.00 0.00 C ATOM 1262 C ARG A 80 -15.918 -3.991 -4.174 1.00 0.00 C ATOM 1263 O ARG A 80 -16.356 -3.631 -5.265 1.00 0.00 O ATOM 1264 CB ARG A 80 -15.196 -6.326 -3.677 1.00 0.00 C ATOM 1265 CG ARG A 80 -15.535 -7.178 -4.902 1.00 0.00 C ATOM 1266 CD ARG A 80 -16.855 -7.925 -4.702 1.00 0.00 C ATOM 1267 NE ARG A 80 -17.194 -8.690 -5.922 1.00 0.00 N ATOM 1268 CZ ARG A 80 -18.083 -9.692 -5.959 1.00 0.00 C ATOM 1269 NH1 ARG A 80 -18.728 -10.056 -4.842 1.00 0.00 N ATOM 1270 NH2 ARG A 80 -18.327 -10.330 -7.111 1.00 0.00 N ATOM 0 H ARG A 80 -13.516 -5.042 -2.378 1.00 0.00 H new ATOM 0 HA ARG A 80 -14.237 -5.004 -5.069 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -14.423 -6.820 -3.089 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -16.074 -6.236 -3.038 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.603 -6.542 -5.784 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.733 -7.893 -5.086 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -16.775 -8.600 -3.850 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -17.652 -7.217 -4.474 1.00 0.00 H new ATOM 0 HE ARG A 80 -16.721 -8.439 -6.790 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -18.542 -9.570 -3.964 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -19.405 -10.819 -4.869 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -17.836 -10.053 -7.961 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -19.004 -11.093 -7.138 1.00 0.00 H new ATOM 1284 N ASP A 81 -16.417 -3.618 -3.004 1.00 0.00 N ATOM 1285 CA ASP A 81 -17.560 -2.724 -2.930 1.00 0.00 C ATOM 1286 C ASP A 81 -17.183 -1.370 -3.535 1.00 0.00 C ATOM 1287 O ASP A 81 -18.055 -0.553 -3.829 1.00 0.00 O ATOM 1288 CB ASP A 81 -17.982 -2.491 -1.478 1.00 0.00 C ATOM 1289 CG ASP A 81 -19.041 -3.460 -0.949 1.00 0.00 C ATOM 1290 OD1 ASP A 81 -20.115 -3.530 -1.586 1.00 0.00 O ATOM 1291 OD2 ASP A 81 -18.754 -4.109 0.080 1.00 0.00 O ATOM 0 H ASP A 81 -16.051 -3.918 -2.101 1.00 0.00 H new ATOM 0 HA ASP A 81 -18.384 -3.183 -3.477 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -17.099 -2.560 -0.843 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -18.363 -1.474 -1.385 1.00 0.00 H new ATOM 1296 N TYR A 82 -15.884 -1.175 -3.705 1.00 0.00 N ATOM 1297 CA TYR A 82 -15.381 0.066 -4.271 1.00 0.00 C ATOM 1298 C TYR A 82 -15.269 -0.032 -5.794 1.00 0.00 C ATOM 1299 O TYR A 82 -15.014 0.966 -6.466 1.00 0.00 O ATOM 1300 CB TYR A 82 -13.984 0.263 -3.680 1.00 0.00 C ATOM 1301 CG TYR A 82 -13.858 1.493 -2.779 1.00 0.00 C ATOM 1302 CD1 TYR A 82 -13.658 2.740 -3.336 1.00 0.00 C ATOM 1303 CD2 TYR A 82 -13.944 1.356 -1.408 1.00 0.00 C ATOM 1304 CE1 TYR A 82 -13.539 3.897 -2.488 1.00 0.00 C ATOM 1305 CE2 TYR A 82 -13.825 2.514 -0.560 1.00 0.00 C ATOM 1306 CZ TYR A 82 -13.628 3.727 -1.142 1.00 0.00 C ATOM 1307 OH TYR A 82 -13.516 4.821 -0.341 1.00 0.00 O ATOM 0 H TYR A 82 -15.164 -1.855 -3.461 1.00 0.00 H new ATOM 0 HA TYR A 82 -16.053 0.893 -4.041 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -13.715 -0.624 -3.107 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -13.264 0.347 -4.494 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -13.591 2.848 -4.409 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -14.100 0.381 -0.971 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -13.383 4.878 -2.911 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -13.891 2.421 0.514 1.00 0.00 H new ATOM 0 HH TYR A 82 -12.999 5.513 -0.803 1.00 0.00 H new ATOM 1317 N GLY A 83 -15.465 -1.243 -6.293 1.00 0.00 N ATOM 1318 CA GLY A 83 -15.389 -1.484 -7.724 1.00 0.00 C ATOM 1319 C GLY A 83 -14.011 -2.021 -8.117 1.00 0.00 C ATOM 1320 O GLY A 83 -13.761 -2.303 -9.288 1.00 0.00 O ATOM 0 H GLY A 83 -15.676 -2.068 -5.732 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -16.159 -2.198 -8.018 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -15.590 -0.558 -8.264 1.00 0.00 H new ATOM 1324 N ILE A 84 -13.152 -2.146 -7.116 1.00 0.00 N ATOM 1325 CA ILE A 84 -11.806 -2.643 -7.342 1.00 0.00 C ATOM 1326 C ILE A 84 -11.834 -4.172 -7.395 1.00 0.00 C ATOM 1327 O ILE A 84 -12.783 -4.796 -6.922 1.00 0.00 O ATOM 1328 CB ILE A 84 -10.844 -2.082 -6.293 1.00 0.00 C ATOM 1329 CG1 ILE A 84 -10.847 -0.552 -6.310 1.00 0.00 C ATOM 1330 CG2 ILE A 84 -9.437 -2.654 -6.478 1.00 0.00 C ATOM 1331 CD1 ILE A 84 -10.134 0.011 -5.079 1.00 0.00 C ATOM 0 H ILE A 84 -13.363 -1.911 -6.146 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.429 -2.297 -8.304 1.00 0.00 H new ATOM 0 HB ILE A 84 -11.192 -2.394 -5.308 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -10.356 -0.194 -7.215 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -11.874 -0.187 -6.339 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -8.773 -2.239 -5.720 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.469 -3.739 -6.378 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -9.065 -2.392 -7.469 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -10.150 1.100 -5.116 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.642 -0.329 -4.177 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -9.101 -0.336 -5.066 1.00 0.00 H new ATOM 1343 N ARG A 85 -10.782 -4.732 -7.974 1.00 0.00 N ATOM 1344 CA ARG A 85 -10.674 -6.176 -8.095 1.00 0.00 C ATOM 1345 C ARG A 85 -9.205 -6.593 -8.174 1.00 0.00 C ATOM 1346 O ARG A 85 -8.311 -5.759 -8.041 1.00 0.00 O ATOM 1347 CB ARG A 85 -11.409 -6.681 -9.338 1.00 0.00 C ATOM 1348 CG ARG A 85 -11.231 -5.715 -10.511 1.00 0.00 C ATOM 1349 CD ARG A 85 -9.761 -5.619 -10.924 1.00 0.00 C ATOM 1350 NE ARG A 85 -9.650 -5.603 -12.400 1.00 0.00 N ATOM 1351 CZ ARG A 85 -9.741 -6.694 -13.172 1.00 0.00 C ATOM 1352 NH1 ARG A 85 -9.944 -7.895 -12.614 1.00 0.00 N ATOM 1353 NH2 ARG A 85 -9.628 -6.584 -14.503 1.00 0.00 N ATOM 0 H ARG A 85 -9.997 -4.212 -8.365 1.00 0.00 H new ATOM 0 HA ARG A 85 -11.133 -6.618 -7.211 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -11.031 -7.666 -9.613 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -12.470 -6.797 -9.116 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -11.829 -6.052 -11.358 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -11.600 -4.728 -10.233 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -9.316 -4.715 -10.508 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.205 -6.464 -10.518 1.00 0.00 H new ATOM 0 HE ARG A 85 -9.494 -4.705 -12.858 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -10.029 -7.979 -11.601 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -10.013 -8.725 -13.202 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -9.473 -5.670 -14.928 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -9.697 -7.415 -15.091 1.00 0.00 H new ATOM 1367 N ASN A 86 -9.000 -7.884 -8.392 1.00 0.00 N ATOM 1368 CA ASN A 86 -7.655 -8.423 -8.490 1.00 0.00 C ATOM 1369 C ASN A 86 -7.034 -7.993 -9.821 1.00 0.00 C ATOM 1370 O ASN A 86 -7.696 -8.023 -10.857 1.00 0.00 O ATOM 1371 CB ASN A 86 -7.669 -9.952 -8.448 1.00 0.00 C ATOM 1372 CG ASN A 86 -8.604 -10.522 -9.516 1.00 0.00 C ATOM 1373 OD1 ASN A 86 -9.812 -10.580 -9.353 1.00 0.00 O ATOM 1374 ND2 ASN A 86 -7.981 -10.938 -10.615 1.00 0.00 N ATOM 0 H ASN A 86 -9.744 -8.573 -8.504 1.00 0.00 H new ATOM 0 HA ASN A 86 -7.078 -8.045 -7.646 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -6.659 -10.333 -8.603 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -7.989 -10.289 -7.462 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -8.518 -11.334 -11.386 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -6.966 -10.860 -10.686 1.00 0.00 H new ATOM 1381 N ARG A 87 -5.770 -7.602 -9.749 1.00 0.00 N ATOM 1382 CA ARG A 87 -5.053 -7.166 -10.935 1.00 0.00 C ATOM 1383 C ARG A 87 -5.483 -5.750 -11.325 1.00 0.00 C ATOM 1384 O ARG A 87 -5.618 -5.442 -12.508 1.00 0.00 O ATOM 1385 CB ARG A 87 -5.308 -8.111 -12.112 1.00 0.00 C ATOM 1386 CG ARG A 87 -3.991 -8.603 -12.715 1.00 0.00 C ATOM 1387 CD ARG A 87 -4.011 -8.489 -14.241 1.00 0.00 C ATOM 1388 NE ARG A 87 -3.431 -9.709 -14.846 1.00 0.00 N ATOM 1389 CZ ARG A 87 -3.551 -10.035 -16.140 1.00 0.00 C ATOM 1390 NH1 ARG A 87 -4.231 -9.235 -16.973 1.00 0.00 N ATOM 1391 NH2 ARG A 87 -2.992 -11.162 -16.602 1.00 0.00 N ATOM 0 H ARG A 87 -5.224 -7.578 -8.888 1.00 0.00 H new ATOM 0 HA ARG A 87 -3.989 -7.175 -10.700 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.900 -8.963 -11.777 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.892 -7.597 -12.875 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.163 -8.019 -12.314 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.819 -9.640 -12.426 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.034 -8.351 -14.590 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.445 -7.612 -14.556 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.907 -10.341 -14.240 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.657 -8.378 -16.622 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.322 -9.484 -17.958 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.475 -11.772 -15.968 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.084 -11.410 -17.587 1.00 0.00 H new ATOM 1405 N ASP A 88 -5.686 -4.927 -10.308 1.00 0.00 N ATOM 1406 CA ASP A 88 -6.098 -3.551 -10.529 1.00 0.00 C ATOM 1407 C ASP A 88 -4.890 -2.628 -10.361 1.00 0.00 C ATOM 1408 O ASP A 88 -3.772 -3.095 -10.146 1.00 0.00 O ATOM 1409 CB ASP A 88 -7.163 -3.125 -9.516 1.00 0.00 C ATOM 1410 CG ASP A 88 -6.618 -2.650 -8.167 1.00 0.00 C ATOM 1411 OD1 ASP A 88 -6.420 -3.524 -7.296 1.00 0.00 O ATOM 1412 OD2 ASP A 88 -6.412 -1.424 -8.038 1.00 0.00 O ATOM 0 H ASP A 88 -5.573 -5.186 -9.328 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.509 -3.480 -11.536 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.759 -2.324 -9.953 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.836 -3.965 -9.344 1.00 0.00 H new ATOM 1417 N GLU A 89 -5.154 -1.334 -10.467 1.00 0.00 N ATOM 1418 CA GLU A 89 -4.102 -0.341 -10.330 1.00 0.00 C ATOM 1419 C GLU A 89 -4.543 0.772 -9.377 1.00 0.00 C ATOM 1420 O GLU A 89 -5.571 1.410 -9.596 1.00 0.00 O ATOM 1421 CB GLU A 89 -3.705 0.229 -11.693 1.00 0.00 C ATOM 1422 CG GLU A 89 -2.517 -0.533 -12.281 1.00 0.00 C ATOM 1423 CD GLU A 89 -2.022 0.131 -13.568 1.00 0.00 C ATOM 1424 OE1 GLU A 89 -2.138 1.373 -13.646 1.00 0.00 O ATOM 1425 OE2 GLU A 89 -1.539 -0.618 -14.444 1.00 0.00 O ATOM 0 H GLU A 89 -6.082 -0.950 -10.646 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.223 -0.827 -9.907 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.553 0.171 -12.376 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.450 1.284 -11.590 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.707 -0.570 -11.552 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.807 -1.563 -12.487 1.00 0.00 H new ATOM 1432 N VAL A 90 -3.744 0.970 -8.339 1.00 0.00 N ATOM 1433 CA VAL A 90 -4.039 1.994 -7.352 1.00 0.00 C ATOM 1434 C VAL A 90 -2.913 3.031 -7.347 1.00 0.00 C ATOM 1435 O VAL A 90 -1.809 2.755 -7.813 1.00 0.00 O ATOM 1436 CB VAL A 90 -4.266 1.351 -5.982 1.00 0.00 C ATOM 1437 CG1 VAL A 90 -3.941 2.334 -4.855 1.00 0.00 C ATOM 1438 CG2 VAL A 90 -5.696 0.824 -5.854 1.00 0.00 C ATOM 0 H VAL A 90 -2.892 0.438 -8.160 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.961 2.516 -7.607 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.587 0.503 -5.893 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.111 1.852 -3.892 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.897 2.640 -4.929 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -4.583 3.211 -4.940 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.831 0.372 -4.871 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.399 1.648 -5.974 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.878 0.076 -6.625 1.00 0.00 H new ATOM 1448 N SER A 91 -3.233 4.201 -6.815 1.00 0.00 N ATOM 1449 CA SER A 91 -2.262 5.280 -6.743 1.00 0.00 C ATOM 1450 C SER A 91 -2.366 5.988 -5.391 1.00 0.00 C ATOM 1451 O SER A 91 -3.336 5.798 -4.659 1.00 0.00 O ATOM 1452 CB SER A 91 -2.465 6.280 -7.883 1.00 0.00 C ATOM 1453 OG SER A 91 -3.165 5.703 -8.981 1.00 0.00 O ATOM 0 H SER A 91 -4.150 4.426 -6.430 1.00 0.00 H new ATOM 0 HA SER A 91 -1.265 4.851 -6.845 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.019 7.143 -7.514 1.00 0.00 H new ATOM 0 HB3 SER A 91 -1.495 6.644 -8.222 1.00 0.00 H new ATOM 0 HG SER A 91 -3.276 6.374 -9.687 1.00 0.00 H new ATOM 1459 N PHE A 92 -1.353 6.791 -5.099 1.00 0.00 N ATOM 1460 CA PHE A 92 -1.318 7.528 -3.848 1.00 0.00 C ATOM 1461 C PHE A 92 -1.615 9.011 -4.077 1.00 0.00 C ATOM 1462 O PHE A 92 -0.930 9.673 -4.855 1.00 0.00 O ATOM 1463 CB PHE A 92 0.097 7.385 -3.284 1.00 0.00 C ATOM 1464 CG PHE A 92 0.226 6.327 -2.187 1.00 0.00 C ATOM 1465 CD1 PHE A 92 -0.453 6.474 -1.017 1.00 0.00 C ATOM 1466 CD2 PHE A 92 1.019 5.239 -2.381 1.00 0.00 C ATOM 1467 CE1 PHE A 92 -0.334 5.491 0.001 1.00 0.00 C ATOM 1468 CE2 PHE A 92 1.138 4.257 -1.362 1.00 0.00 C ATOM 1469 CZ PHE A 92 0.460 4.404 -0.193 1.00 0.00 C ATOM 0 H PHE A 92 -0.550 6.947 -5.708 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.070 7.136 -3.164 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.778 7.135 -4.098 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.417 8.348 -2.885 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.082 7.338 -0.863 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.558 5.122 -3.310 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.874 5.607 0.929 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.767 3.393 -1.516 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.552 3.657 0.582 1.00 0.00 H new ATOM 1479 N ILE A 93 -2.638 9.491 -3.385 1.00 0.00 N ATOM 1480 CA ILE A 93 -3.035 10.883 -3.503 1.00 0.00 C ATOM 1481 C ILE A 93 -2.602 11.641 -2.247 1.00 0.00 C ATOM 1482 O ILE A 93 -2.207 11.031 -1.255 1.00 0.00 O ATOM 1483 CB ILE A 93 -4.532 10.991 -3.800 1.00 0.00 C ATOM 1484 CG1 ILE A 93 -4.857 12.305 -4.514 1.00 0.00 C ATOM 1485 CG2 ILE A 93 -5.359 10.811 -2.525 1.00 0.00 C ATOM 1486 CD1 ILE A 93 -5.805 12.070 -5.691 1.00 0.00 C ATOM 0 H ILE A 93 -3.204 8.940 -2.740 1.00 0.00 H new ATOM 0 HA ILE A 93 -2.531 11.351 -4.349 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.805 10.181 -4.477 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.311 13.003 -3.810 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -3.936 12.766 -4.871 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.419 10.892 -2.765 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -5.158 9.829 -2.097 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.090 11.583 -1.804 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -6.020 13.020 -6.181 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -5.338 11.391 -6.405 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -6.734 11.631 -5.328 1.00 0.00 H new ATOM 1498 N LYS A 94 -2.690 12.961 -2.330 1.00 0.00 N ATOM 1499 CA LYS A 94 -2.312 13.808 -1.212 1.00 0.00 C ATOM 1500 C LYS A 94 -3.547 14.552 -0.701 1.00 0.00 C ATOM 1501 O LYS A 94 -4.375 15.003 -1.491 1.00 0.00 O ATOM 1502 CB LYS A 94 -1.157 14.731 -1.606 1.00 0.00 C ATOM 1503 CG LYS A 94 -0.514 15.363 -0.370 1.00 0.00 C ATOM 1504 CD LYS A 94 -0.236 16.850 -0.595 1.00 0.00 C ATOM 1505 CE LYS A 94 1.010 17.298 0.172 1.00 0.00 C ATOM 1506 NZ LYS A 94 1.255 18.742 -0.036 1.00 0.00 N ATOM 0 H LYS A 94 -3.018 13.464 -3.155 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.939 13.204 -0.385 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.408 14.166 -2.161 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.523 15.514 -2.271 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.172 15.239 0.490 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.417 14.847 -0.136 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.100 17.041 -1.659 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.096 17.437 -0.273 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.883 17.094 1.235 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.875 16.725 -0.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.104 19.030 0.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.397 18.928 -1.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.436 19.286 0.304 1.00 0.00 H new ATOM 1520 N LYS A 95 -3.632 14.657 0.617 1.00 0.00 N ATOM 1521 CA LYS A 95 -4.753 15.338 1.243 1.00 0.00 C ATOM 1522 C LYS A 95 -4.755 16.807 0.814 1.00 0.00 C ATOM 1523 O LYS A 95 -3.897 17.233 0.042 1.00 0.00 O ATOM 1524 CB LYS A 95 -4.721 15.141 2.760 1.00 0.00 C ATOM 1525 CG LYS A 95 -5.235 13.751 3.142 1.00 0.00 C ATOM 1526 CD LYS A 95 -5.487 13.656 4.648 1.00 0.00 C ATOM 1527 CE LYS A 95 -4.481 12.715 5.314 1.00 0.00 C ATOM 1528 NZ LYS A 95 -4.528 12.864 6.786 1.00 0.00 N ATOM 0 H LYS A 95 -2.943 14.282 1.269 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.696 14.906 0.909 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.702 15.269 3.126 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.332 15.904 3.243 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.157 13.539 2.601 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.509 12.995 2.843 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.415 14.647 5.096 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -6.500 13.298 4.829 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -4.702 11.684 5.040 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.476 12.933 4.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -3.839 12.218 7.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -4.295 13.844 7.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -5.483 12.634 7.128 1.00 0.00 H new ATOM 1542 N LEU A 96 -5.728 17.541 1.334 1.00 0.00 N ATOM 1543 CA LEU A 96 -5.853 18.953 1.014 1.00 0.00 C ATOM 1544 C LEU A 96 -5.682 19.777 2.292 1.00 0.00 C ATOM 1545 O LEU A 96 -6.526 19.726 3.185 1.00 0.00 O ATOM 1546 CB LEU A 96 -7.167 19.222 0.279 1.00 0.00 C ATOM 1547 CG LEU A 96 -7.072 20.114 -0.960 1.00 0.00 C ATOM 1548 CD1 LEU A 96 -6.812 19.281 -2.217 1.00 0.00 C ATOM 1549 CD2 LEU A 96 -8.318 20.990 -1.101 1.00 0.00 C ATOM 0 H LEU A 96 -6.437 17.184 1.975 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.064 19.260 0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.596 18.265 -0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -7.865 19.680 0.980 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.220 20.783 -0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.749 19.940 -3.083 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.874 18.737 -2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -7.628 18.572 -2.359 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.225 21.614 -1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -9.200 20.356 -1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -8.418 21.625 -0.220 1.00 0.00 H new ATOM 1561 N GLY A 97 -4.585 20.518 2.338 1.00 0.00 N ATOM 1562 CA GLY A 97 -4.293 21.353 3.492 1.00 0.00 C ATOM 1563 C GLY A 97 -2.801 21.683 3.566 1.00 0.00 C ATOM 1564 O GLY A 97 -2.272 22.379 2.700 1.00 0.00 O ATOM 0 H GLY A 97 -3.887 20.558 1.595 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.871 22.275 3.433 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.602 20.841 4.403 1.00 0.00 H new ATOM 1568 N GLN A 98 -2.165 21.170 4.608 1.00 0.00 N ATOM 1569 CA GLN A 98 -0.745 21.402 4.807 1.00 0.00 C ATOM 1570 C GLN A 98 -0.007 21.355 3.467 1.00 0.00 C ATOM 1571 O GLN A 98 -0.440 20.674 2.539 1.00 0.00 O ATOM 1572 CB GLN A 98 -0.156 20.390 5.792 1.00 0.00 C ATOM 1573 CG GLN A 98 1.119 20.933 6.440 1.00 0.00 C ATOM 1574 CD GLN A 98 1.174 20.576 7.927 1.00 0.00 C ATOM 1575 OE1 GLN A 98 0.473 19.701 8.408 1.00 0.00 O ATOM 1576 NE2 GLN A 98 2.042 21.302 8.626 1.00 0.00 N ATOM 0 H GLN A 98 -2.607 20.594 5.324 1.00 0.00 H new ATOM 0 HA GLN A 98 -0.616 22.395 5.237 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.890 20.159 6.564 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.065 19.458 5.272 1.00 0.00 H new ATOM 0 HG2 GLN A 98 1.992 20.524 5.932 1.00 0.00 H new ATOM 0 HG3 GLN A 98 1.159 22.016 6.321 1.00 0.00 H new ATOM 0 HE21 GLN A 98 2.598 22.019 8.161 1.00 0.00 H new ATOM 0 HE22 GLN A 98 2.151 21.141 9.627 1.00 0.00 H new ATOM 1585 N LYS A 99 1.095 22.089 3.409 1.00 0.00 N ATOM 1586 CA LYS A 99 1.897 22.140 2.199 1.00 0.00 C ATOM 1587 C LYS A 99 3.369 22.318 2.575 1.00 0.00 C ATOM 1588 O LYS A 99 3.682 22.829 3.649 1.00 0.00 O ATOM 1589 CB LYS A 99 1.369 23.219 1.252 1.00 0.00 C ATOM 1590 CG LYS A 99 0.582 22.598 0.096 1.00 0.00 C ATOM 1591 CD LYS A 99 -0.212 23.663 -0.662 1.00 0.00 C ATOM 1592 CE LYS A 99 0.076 23.596 -2.164 1.00 0.00 C ATOM 1593 NZ LYS A 99 -0.825 24.507 -2.905 1.00 0.00 N ATOM 0 H LYS A 99 1.451 22.653 4.181 1.00 0.00 H new ATOM 0 HA LYS A 99 1.819 21.201 1.650 1.00 0.00 H new ATOM 0 HB2 LYS A 99 0.730 23.909 1.802 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.202 23.801 0.858 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.267 22.096 -0.587 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -0.098 21.838 0.481 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -1.278 23.521 -0.486 1.00 0.00 H new ATOM 0 HD3 LYS A 99 0.045 24.652 -0.283 1.00 0.00 H new ATOM 0 HE2 LYS A 99 1.114 23.868 -2.354 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -0.056 22.575 -2.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -0.617 24.450 -3.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.813 24.230 -2.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -0.679 25.483 -2.576 1.00 0.00 H new ATOM 1607 N SER A 100 4.235 21.887 1.669 1.00 0.00 N ATOM 1608 CA SER A 100 5.667 21.993 1.892 1.00 0.00 C ATOM 1609 C SER A 100 6.092 21.050 3.019 1.00 0.00 C ATOM 1610 O SER A 100 5.370 20.887 4.002 1.00 0.00 O ATOM 1611 CB SER A 100 6.068 23.432 2.224 1.00 0.00 C ATOM 1612 OG SER A 100 6.732 24.066 1.134 1.00 0.00 O ATOM 0 H SER A 100 3.972 21.464 0.779 1.00 0.00 H new ATOM 0 HA SER A 100 6.178 21.705 0.974 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.179 24.004 2.489 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.721 23.434 3.097 1.00 0.00 H new ATOM 0 HG SER A 100 6.970 24.983 1.385 1.00 0.00 H new ATOM 1618 N GLY A 101 7.261 20.453 2.840 1.00 0.00 N ATOM 1619 CA GLY A 101 7.790 19.531 3.830 1.00 0.00 C ATOM 1620 C GLY A 101 9.307 19.682 3.964 1.00 0.00 C ATOM 1621 O GLY A 101 9.970 20.169 3.050 1.00 0.00 O ATOM 0 H GLY A 101 7.857 20.590 2.024 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.316 19.715 4.794 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.546 18.507 3.546 1.00 0.00 H new ATOM 1625 N PRO A 102 9.826 19.245 5.143 1.00 0.00 N ATOM 1626 CA PRO A 102 11.252 19.327 5.409 1.00 0.00 C ATOM 1627 C PRO A 102 12.017 18.253 4.633 1.00 0.00 C ATOM 1628 O PRO A 102 13.050 18.536 4.028 1.00 0.00 O ATOM 1629 CB PRO A 102 11.380 19.176 6.916 1.00 0.00 C ATOM 1630 CG PRO A 102 10.075 18.553 7.385 1.00 0.00 C ATOM 1631 CD PRO A 102 9.072 18.662 6.249 1.00 0.00 C ATOM 0 HA PRO A 102 11.688 20.269 5.078 1.00 0.00 H new ATOM 0 HB2 PRO A 102 12.230 18.544 7.174 1.00 0.00 H new ATOM 0 HB3 PRO A 102 11.545 20.142 7.393 1.00 0.00 H new ATOM 0 HG2 PRO A 102 10.228 17.510 7.661 1.00 0.00 H new ATOM 0 HG3 PRO A 102 9.704 19.066 8.272 1.00 0.00 H new ATOM 0 HD2 PRO A 102 8.669 17.685 5.982 1.00 0.00 H new ATOM 0 HD3 PRO A 102 8.226 19.291 6.527 1.00 0.00 H new ATOM 1639 N SER A 103 11.481 17.042 4.677 1.00 0.00 N ATOM 1640 CA SER A 103 12.101 15.924 3.986 1.00 0.00 C ATOM 1641 C SER A 103 13.392 15.519 4.699 1.00 0.00 C ATOM 1642 O SER A 103 13.525 14.383 5.153 1.00 0.00 O ATOM 1643 CB SER A 103 12.389 16.272 2.524 1.00 0.00 C ATOM 1644 OG SER A 103 11.266 16.878 1.888 1.00 0.00 O ATOM 0 H SER A 103 10.625 16.811 5.180 1.00 0.00 H new ATOM 0 HA SER A 103 11.406 15.084 4.002 1.00 0.00 H new ATOM 0 HB2 SER A 103 13.243 16.948 2.474 1.00 0.00 H new ATOM 0 HB3 SER A 103 12.667 15.367 1.984 1.00 0.00 H new ATOM 0 HG SER A 103 11.490 17.087 0.957 1.00 0.00 H new ATOM 1650 N SER A 104 14.312 16.470 4.775 1.00 0.00 N ATOM 1651 CA SER A 104 15.588 16.226 5.425 1.00 0.00 C ATOM 1652 C SER A 104 15.548 16.739 6.866 1.00 0.00 C ATOM 1653 O SER A 104 15.721 15.968 7.809 1.00 0.00 O ATOM 1654 CB SER A 104 16.733 16.889 4.658 1.00 0.00 C ATOM 1655 OG SER A 104 17.621 15.930 4.090 1.00 0.00 O ATOM 0 H SER A 104 14.199 17.411 4.397 1.00 0.00 H new ATOM 0 HA SER A 104 15.767 15.151 5.433 1.00 0.00 H new ATOM 0 HB2 SER A 104 16.324 17.517 3.867 1.00 0.00 H new ATOM 0 HB3 SER A 104 17.288 17.544 5.330 1.00 0.00 H new ATOM 0 HG SER A 104 18.337 16.393 3.607 1.00 0.00 H new ATOM 1661 N GLY A 105 15.319 18.038 6.992 1.00 0.00 N ATOM 1662 CA GLY A 105 15.253 18.663 8.302 1.00 0.00 C ATOM 1663 C GLY A 105 16.029 19.982 8.319 1.00 0.00 C ATOM 1664 O GLY A 105 16.779 20.277 7.390 1.00 0.00 O ATOM 0 H GLY A 105 15.177 18.675 6.208 1.00 0.00 H new ATOM 0 HA2 GLY A 105 14.212 18.846 8.570 1.00 0.00 H new ATOM 0 HA3 GLY A 105 15.662 17.987 9.053 1.00 0.00 H new TER 1668 GLY A 105