USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 796 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 84 HIS : no HD1:sc= 0.666 K(o=1.9,f=-1.6) USER MOD Set 1.2: A 86 THR OG1 : rot -87:sc= 1.24 USER MOD Set 2.1: A 55 SER OG : rot -109:sc= 1.57 USER MOD Set 2.2: A 63 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 10 TYR OH : rot 15:sc= 0.34 USER MOD Set 3.2: A 24 ASN : amide:sc= 0.307 K(o=0.65,f=-1.7) USER MOD Set 4.1: A 8 GLN : amide:sc= 0 X(o=0,f=0.019) USER MOD Set 4.2: A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 136:sc= 0.0328 (180deg=-0.0273) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0151 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 33:sc= 0.261 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.813 X(o=-0.81,f=-0.4) USER MOD Single : A 19 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0811) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.01 K(o=-1,f=-2) USER MOD Single : A 26 TYR OH : rot -43:sc= 0.367 USER MOD Single : A 31 HIS : no HE2:sc= -0.559 K(o=-0.56,f=-3.1!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.264 K(o=0.26,f=-1.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 52 SER OG : rot 170:sc= 0 USER MOD Single : A 57 SER OG : rot -9:sc= 1.33 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -130:sc= 0.639 USER MOD Single : A 66 TYR OH : rot 30:sc= -0.0314 USER MOD Single : A 67 TYR OH : rot -51:sc= 0.213 USER MOD Single : A 68 THR OG1 : rot -120:sc= -0.0576 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 68:sc= 0.65 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot -104:sc= 1.14 USER MOD Single : A 83 ASN : amide:sc= -0.0181 K(o=-0.018,f=-2.5!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -1.540 -2.156 0.739 1.00 21.22 N ATOM 2 CA MET A 0 -1.081 -2.773 -0.518 1.00 14.50 C ATOM 3 C MET A 0 0.249 -3.499 -0.330 1.00 72.31 C ATOM 4 O MET A 0 1.083 -3.060 0.462 1.00 11.52 O ATOM 5 CB MET A 0 -0.994 -1.744 -1.654 1.00 25.55 C ATOM 6 CG MET A 0 0.096 -0.684 -1.443 1.00 73.11 C ATOM 7 SD MET A 0 0.068 0.632 -2.688 1.00 33.52 S ATOM 8 CE MET A 0 1.459 1.634 -2.099 1.00 4.05 C ATOM 0 H1 MET A 0 -1.887 -1.195 0.547 1.00 21.22 H new ATOM 0 H2 MET A 0 -2.308 -2.727 1.146 1.00 21.22 H new ATOM 0 H3 MET A 0 -0.749 -2.110 1.412 1.00 21.22 H new ATOM 0 HA MET A 0 -1.826 -3.515 -0.804 1.00 14.50 H new ATOM 0 HB2 MET A 0 -0.804 -2.266 -2.592 1.00 25.55 H new ATOM 0 HB3 MET A 0 -1.958 -1.246 -1.756 1.00 25.55 H new ATOM 0 HG2 MET A 0 -0.024 -0.241 -0.454 1.00 73.11 H new ATOM 0 HG3 MET A 0 1.072 -1.169 -1.459 1.00 73.11 H new ATOM 0 HE1 MET A 0 1.589 2.496 -2.753 1.00 4.05 H new ATOM 0 HE2 MET A 0 1.257 1.976 -1.084 1.00 4.05 H new ATOM 0 HE3 MET A 0 2.369 1.033 -2.105 1.00 4.05 H new ATOM 20 N ILE A 1 0.445 -4.600 -1.065 1.00 15.24 N ATOM 21 CA ILE A 1 1.680 -5.365 -1.047 1.00 4.21 C ATOM 22 C ILE A 1 1.764 -6.205 -2.325 1.00 62.32 C ATOM 23 O ILE A 1 0.865 -6.994 -2.606 1.00 21.51 O ATOM 24 CB ILE A 1 1.789 -6.196 0.250 1.00 23.23 C ATOM 25 CG1 ILE A 1 3.198 -6.807 0.341 1.00 15.45 C ATOM 26 CG2 ILE A 1 0.669 -7.240 0.401 1.00 62.12 C ATOM 27 CD1 ILE A 1 3.449 -7.524 1.670 1.00 74.34 C ATOM 0 H ILE A 1 -0.262 -4.982 -1.693 1.00 15.24 H new ATOM 0 HA ILE A 1 2.542 -4.698 -1.039 1.00 4.21 H new ATOM 0 HB ILE A 1 1.643 -5.528 1.099 1.00 23.23 H new ATOM 0 HG12 ILE A 1 3.337 -7.512 -0.479 1.00 15.45 H new ATOM 0 HG13 ILE A 1 3.940 -6.019 0.213 1.00 15.45 H new ATOM 0 HG21 ILE A 1 0.806 -7.788 1.333 1.00 62.12 H new ATOM 0 HG22 ILE A 1 -0.298 -6.737 0.415 1.00 62.12 H new ATOM 0 HG23 ILE A 1 0.704 -7.935 -0.438 1.00 62.12 H new ATOM 0 HD11 ILE A 1 4.459 -7.935 1.677 1.00 74.34 H new ATOM 0 HD12 ILE A 1 3.340 -6.816 2.492 1.00 74.34 H new ATOM 0 HD13 ILE A 1 2.728 -8.332 1.789 1.00 74.34 H new ATOM 39 N GLN A 2 2.831 -6.008 -3.109 1.00 31.13 N ATOM 40 CA GLN A 2 3.061 -6.685 -4.379 1.00 21.40 C ATOM 41 C GLN A 2 3.922 -7.930 -4.151 1.00 71.42 C ATOM 42 O GLN A 2 5.083 -7.970 -4.559 1.00 72.31 O ATOM 43 CB GLN A 2 3.734 -5.710 -5.356 1.00 1.41 C ATOM 44 CG GLN A 2 2.795 -4.570 -5.770 1.00 42.03 C ATOM 45 CD GLN A 2 3.449 -3.676 -6.822 1.00 32.23 C ATOM 46 OE1 GLN A 2 3.878 -2.566 -6.516 1.00 53.05 O ATOM 47 NE2 GLN A 2 3.524 -4.159 -8.065 1.00 24.34 N ATOM 0 H GLN A 2 3.575 -5.354 -2.866 1.00 31.13 H new ATOM 0 HA GLN A 2 2.113 -7.007 -4.811 1.00 21.40 H new ATOM 0 HB2 GLN A 2 4.628 -5.293 -4.893 1.00 1.41 H new ATOM 0 HB3 GLN A 2 4.058 -6.253 -6.244 1.00 1.41 H new ATOM 0 HG2 GLN A 2 1.867 -4.984 -6.165 1.00 42.03 H new ATOM 0 HG3 GLN A 2 2.532 -3.975 -4.895 1.00 42.03 H new ATOM 0 HE21 GLN A 2 3.155 -5.086 -8.275 1.00 24.34 H new ATOM 0 HE22 GLN A 2 3.950 -3.600 -8.804 1.00 24.34 H new ATOM 56 N ARG A 3 3.355 -8.950 -3.496 1.00 72.14 N ATOM 57 CA ARG A 3 4.067 -10.184 -3.187 1.00 24.13 C ATOM 58 C ARG A 3 4.307 -11.007 -4.451 1.00 20.34 C ATOM 59 O ARG A 3 3.433 -11.090 -5.312 1.00 40.31 O ATOM 60 CB ARG A 3 3.280 -11.036 -2.187 1.00 62.22 C ATOM 61 CG ARG A 3 3.020 -10.316 -0.862 1.00 0.30 C ATOM 62 CD ARG A 3 2.270 -11.215 0.126 1.00 54.45 C ATOM 63 NE ARG A 3 3.046 -12.412 0.469 1.00 12.51 N ATOM 64 CZ ARG A 3 2.595 -13.427 1.224 1.00 34.50 C ATOM 65 NH1 ARG A 3 1.387 -13.370 1.804 1.00 24.45 N ATOM 66 NH2 ARG A 3 3.365 -14.509 1.398 1.00 13.15 N ATOM 0 H ARG A 3 2.389 -8.938 -3.168 1.00 72.14 H new ATOM 0 HA ARG A 3 5.025 -9.902 -2.749 1.00 24.13 H new ATOM 0 HB2 ARG A 3 2.327 -11.321 -2.632 1.00 62.22 H new ATOM 0 HB3 ARG A 3 3.829 -11.957 -1.992 1.00 62.22 H new ATOM 0 HG2 ARG A 3 3.968 -10.003 -0.424 1.00 0.30 H new ATOM 0 HG3 ARG A 3 2.440 -9.412 -1.046 1.00 0.30 H new ATOM 0 HD2 ARG A 3 2.048 -10.653 1.033 1.00 54.45 H new ATOM 0 HD3 ARG A 3 1.314 -11.512 -0.306 1.00 54.45 H new ATOM 0 HE ARG A 3 3.998 -12.478 0.108 1.00 12.51 H new ATOM 0 HH11 ARG A 3 0.797 -12.548 1.674 1.00 24.45 H new ATOM 0 HH12 ARG A 3 1.058 -14.149 2.375 1.00 24.45 H new ATOM 0 HH21 ARG A 3 4.284 -14.557 0.959 1.00 13.15 H new ATOM 0 HH22 ARG A 3 3.032 -15.285 1.970 1.00 13.15 H new ATOM 80 N THR A 4 5.483 -11.639 -4.528 1.00 51.14 N ATOM 81 CA THR A 4 5.869 -12.544 -5.600 1.00 41.41 C ATOM 82 C THR A 4 5.467 -13.983 -5.239 1.00 1.02 C ATOM 83 O THR A 4 5.382 -14.314 -4.056 1.00 75.24 O ATOM 84 CB THR A 4 7.390 -12.455 -5.809 1.00 11.04 C ATOM 85 OG1 THR A 4 8.063 -12.690 -4.589 1.00 21.15 O ATOM 86 CG2 THR A 4 7.803 -11.087 -6.362 1.00 35.34 C ATOM 0 H THR A 4 6.210 -11.527 -3.821 1.00 51.14 H new ATOM 0 HA THR A 4 5.359 -12.261 -6.521 1.00 41.41 H new ATOM 0 HB THR A 4 7.667 -13.217 -6.537 1.00 11.04 H new ATOM 0 HG1 THR A 4 9.031 -12.633 -4.733 1.00 21.15 H new ATOM 0 HG21 THR A 4 8.884 -11.060 -6.497 1.00 35.34 H new ATOM 0 HG22 THR A 4 7.313 -10.919 -7.321 1.00 35.34 H new ATOM 0 HG23 THR A 4 7.506 -10.307 -5.662 1.00 35.34 H new ATOM 94 N PRO A 5 5.248 -14.856 -6.237 1.00 12.44 N ATOM 95 CA PRO A 5 4.958 -16.269 -6.025 1.00 21.10 C ATOM 96 C PRO A 5 6.189 -17.018 -5.508 1.00 73.23 C ATOM 97 O PRO A 5 7.271 -16.901 -6.082 1.00 24.54 O ATOM 98 CB PRO A 5 4.528 -16.803 -7.395 1.00 0.33 C ATOM 99 CG PRO A 5 5.205 -15.865 -8.391 1.00 24.52 C ATOM 100 CD PRO A 5 5.215 -14.529 -7.655 1.00 22.12 C ATOM 0 HA PRO A 5 4.183 -16.410 -5.272 1.00 21.10 H new ATOM 0 HB2 PRO A 5 4.848 -17.835 -7.539 1.00 0.33 H new ATOM 0 HB3 PRO A 5 3.444 -16.787 -7.506 1.00 0.33 H new ATOM 0 HG2 PRO A 5 6.214 -16.198 -8.637 1.00 24.52 H new ATOM 0 HG3 PRO A 5 4.652 -15.805 -9.328 1.00 24.52 H new ATOM 0 HD2 PRO A 5 6.082 -13.933 -7.939 1.00 22.12 H new ATOM 0 HD3 PRO A 5 4.330 -13.941 -7.900 1.00 22.12 H new ATOM 108 N LYS A 6 6.011 -17.811 -4.440 1.00 22.13 N ATOM 109 CA LYS A 6 7.036 -18.709 -3.925 1.00 13.03 C ATOM 110 C LYS A 6 6.976 -20.012 -4.724 1.00 74.44 C ATOM 111 O LYS A 6 5.987 -20.742 -4.656 1.00 13.35 O ATOM 112 CB LYS A 6 6.849 -18.938 -2.418 1.00 61.21 C ATOM 113 CG LYS A 6 7.907 -19.911 -1.872 1.00 42.43 C ATOM 114 CD LYS A 6 7.835 -20.074 -0.348 1.00 20.22 C ATOM 115 CE LYS A 6 8.512 -18.911 0.387 1.00 54.53 C ATOM 116 NZ LYS A 6 8.502 -19.122 1.845 1.00 73.15 N ATOM 0 H LYS A 6 5.140 -17.841 -3.910 1.00 22.13 H new ATOM 0 HA LYS A 6 8.026 -18.269 -4.046 1.00 13.03 H new ATOM 0 HB2 LYS A 6 6.919 -17.987 -1.891 1.00 61.21 H new ATOM 0 HB3 LYS A 6 5.852 -19.336 -2.228 1.00 61.21 H new ATOM 0 HG2 LYS A 6 7.776 -20.885 -2.344 1.00 42.43 H new ATOM 0 HG3 LYS A 6 8.899 -19.554 -2.148 1.00 42.43 H new ATOM 0 HD2 LYS A 6 6.792 -20.140 -0.039 1.00 20.22 H new ATOM 0 HD3 LYS A 6 8.312 -21.011 -0.061 1.00 20.22 H new ATOM 0 HE2 LYS A 6 9.540 -18.807 0.039 1.00 54.53 H new ATOM 0 HE3 LYS A 6 7.999 -17.979 0.149 1.00 54.53 H new ATOM 0 HZ1 LYS A 6 8.967 -18.319 2.315 1.00 73.15 H new ATOM 0 HZ2 LYS A 6 7.520 -19.197 2.178 1.00 73.15 H new ATOM 0 HZ3 LYS A 6 9.013 -19.999 2.072 1.00 73.15 H new ATOM 130 N ILE A 7 8.041 -20.279 -5.486 1.00 63.21 N ATOM 131 CA ILE A 7 8.155 -21.416 -6.389 1.00 20.22 C ATOM 132 C ILE A 7 8.415 -22.706 -5.602 1.00 11.23 C ATOM 133 O ILE A 7 9.360 -22.777 -4.819 1.00 42.31 O ATOM 134 CB ILE A 7 9.228 -21.135 -7.462 1.00 64.23 C ATOM 135 CG1 ILE A 7 10.602 -20.740 -6.877 1.00 45.25 C ATOM 136 CG2 ILE A 7 8.707 -20.043 -8.412 1.00 14.22 C ATOM 137 CD1 ILE A 7 11.715 -20.662 -7.926 1.00 54.34 C ATOM 0 H ILE A 7 8.872 -19.687 -5.487 1.00 63.21 H new ATOM 0 HA ILE A 7 7.211 -21.562 -6.915 1.00 20.22 H new ATOM 0 HB ILE A 7 9.400 -22.065 -8.004 1.00 64.23 H new ATOM 0 HG12 ILE A 7 10.512 -19.773 -6.382 1.00 45.25 H new ATOM 0 HG13 ILE A 7 10.884 -21.464 -6.113 1.00 45.25 H new ATOM 0 HG21 ILE A 7 9.458 -19.836 -9.175 1.00 14.22 H new ATOM 0 HG22 ILE A 7 7.789 -20.384 -8.890 1.00 14.22 H new ATOM 0 HG23 ILE A 7 8.505 -19.134 -7.846 1.00 14.22 H new ATOM 0 HD11 ILE A 7 12.651 -20.380 -7.443 1.00 54.34 H new ATOM 0 HD12 ILE A 7 11.833 -21.634 -8.405 1.00 54.34 H new ATOM 0 HD13 ILE A 7 11.455 -19.917 -8.678 1.00 54.34 H new ATOM 149 N GLN A 8 7.549 -23.711 -5.788 1.00 11.32 N ATOM 150 CA GLN A 8 7.609 -24.997 -5.101 1.00 41.51 C ATOM 151 C GLN A 8 7.111 -26.081 -6.065 1.00 0.11 C ATOM 152 O GLN A 8 5.976 -26.544 -5.954 1.00 4.33 O ATOM 153 CB GLN A 8 6.772 -24.948 -3.810 1.00 3.21 C ATOM 154 CG GLN A 8 7.334 -23.969 -2.773 1.00 1.15 C ATOM 155 CD GLN A 8 6.484 -23.928 -1.506 1.00 33.24 C ATOM 156 OE1 GLN A 8 6.560 -24.828 -0.673 1.00 23.41 O ATOM 157 NE2 GLN A 8 5.680 -22.872 -1.351 1.00 4.01 N ATOM 0 H GLN A 8 6.767 -23.645 -6.440 1.00 11.32 H new ATOM 0 HA GLN A 8 8.633 -25.229 -4.808 1.00 41.51 H new ATOM 0 HB2 GLN A 8 5.750 -24.662 -4.056 1.00 3.21 H new ATOM 0 HB3 GLN A 8 6.727 -25.946 -3.374 1.00 3.21 H new ATOM 0 HG2 GLN A 8 8.353 -24.258 -2.517 1.00 1.15 H new ATOM 0 HG3 GLN A 8 7.386 -22.971 -3.207 1.00 1.15 H new ATOM 0 HE21 GLN A 8 5.647 -22.147 -2.067 1.00 4.01 H new ATOM 0 HE22 GLN A 8 5.099 -22.791 -0.516 1.00 4.01 H new ATOM 166 N VAL A 9 7.961 -26.450 -7.033 1.00 74.22 N ATOM 167 CA VAL A 9 7.615 -27.331 -8.142 1.00 12.00 C ATOM 168 C VAL A 9 8.230 -28.712 -7.923 1.00 64.12 C ATOM 169 O VAL A 9 9.399 -28.930 -8.241 1.00 54.12 O ATOM 170 CB VAL A 9 8.099 -26.707 -9.457 1.00 32.23 C ATOM 171 CG1 VAL A 9 7.618 -27.525 -10.661 1.00 52.41 C ATOM 172 CG2 VAL A 9 7.604 -25.264 -9.601 1.00 11.53 C ATOM 0 H VAL A 9 8.930 -26.133 -7.062 1.00 74.22 H new ATOM 0 HA VAL A 9 6.533 -27.452 -8.195 1.00 12.00 H new ATOM 0 HB VAL A 9 9.189 -26.708 -9.432 1.00 32.23 H new ATOM 0 HG11 VAL A 9 7.974 -27.062 -11.581 1.00 52.41 H new ATOM 0 HG12 VAL A 9 8.009 -28.540 -10.591 1.00 52.41 H new ATOM 0 HG13 VAL A 9 6.528 -27.555 -10.668 1.00 52.41 H new ATOM 0 HG21 VAL A 9 7.963 -24.848 -10.543 1.00 11.53 H new ATOM 0 HG22 VAL A 9 6.514 -25.250 -9.591 1.00 11.53 H new ATOM 0 HG23 VAL A 9 7.982 -24.665 -8.772 1.00 11.53 H new ATOM 182 N TYR A 10 7.434 -29.629 -7.364 1.00 44.35 N ATOM 183 CA TYR A 10 7.891 -30.947 -6.932 1.00 33.30 C ATOM 184 C TYR A 10 7.213 -32.068 -7.719 1.00 33.32 C ATOM 185 O TYR A 10 6.095 -31.901 -8.203 1.00 0.00 O ATOM 186 CB TYR A 10 7.640 -31.114 -5.426 1.00 11.21 C ATOM 187 CG TYR A 10 6.188 -31.072 -4.981 1.00 34.44 C ATOM 188 CD1 TYR A 10 5.572 -29.838 -4.702 1.00 0.12 C ATOM 189 CD2 TYR A 10 5.492 -32.270 -4.729 1.00 24.12 C ATOM 190 CE1 TYR A 10 4.255 -29.800 -4.213 1.00 3.15 C ATOM 191 CE2 TYR A 10 4.178 -32.232 -4.234 1.00 60.25 C ATOM 192 CZ TYR A 10 3.554 -30.997 -3.988 1.00 11.03 C ATOM 193 OH TYR A 10 2.266 -30.960 -3.538 1.00 71.42 O ATOM 0 H TYR A 10 6.440 -29.471 -7.198 1.00 44.35 H new ATOM 0 HA TYR A 10 8.961 -31.017 -7.129 1.00 33.30 H new ATOM 0 HB2 TYR A 10 8.068 -32.065 -5.110 1.00 11.21 H new ATOM 0 HB3 TYR A 10 8.183 -30.330 -4.899 1.00 11.21 H new ATOM 0 HD1 TYR A 10 6.113 -28.917 -4.864 1.00 0.12 H new ATOM 0 HD2 TYR A 10 5.970 -33.220 -4.917 1.00 24.12 H new ATOM 0 HE1 TYR A 10 3.782 -28.851 -4.010 1.00 3.15 H new ATOM 0 HE2 TYR A 10 3.647 -33.153 -4.042 1.00 60.25 H new ATOM 0 HH TYR A 10 1.906 -30.055 -3.650 1.00 71.42 H new ATOM 203 N SER A 11 7.875 -33.229 -7.786 1.00 22.13 N ATOM 204 CA SER A 11 7.265 -34.474 -8.229 1.00 55.13 C ATOM 205 C SER A 11 6.505 -35.084 -7.050 1.00 24.33 C ATOM 206 O SER A 11 7.109 -35.445 -6.040 1.00 71.32 O ATOM 207 CB SER A 11 8.329 -35.436 -8.772 1.00 64.13 C ATOM 208 OG SER A 11 9.360 -35.667 -7.836 1.00 22.33 O ATOM 0 H SER A 11 8.858 -33.324 -7.530 1.00 22.13 H new ATOM 0 HA SER A 11 6.568 -34.281 -9.045 1.00 55.13 H new ATOM 0 HB2 SER A 11 7.860 -36.384 -9.036 1.00 64.13 H new ATOM 0 HB3 SER A 11 8.756 -35.026 -9.687 1.00 64.13 H new ATOM 0 HG SER A 11 8.990 -35.641 -6.929 1.00 22.33 H new ATOM 214 N ARG A 12 5.176 -35.178 -7.175 1.00 40.31 N ATOM 215 CA ARG A 12 4.299 -35.737 -6.158 1.00 2.01 C ATOM 216 C ARG A 12 4.678 -37.193 -5.893 1.00 11.43 C ATOM 217 O ARG A 12 5.146 -37.527 -4.806 1.00 11.02 O ATOM 218 CB ARG A 12 2.849 -35.612 -6.643 1.00 62.24 C ATOM 219 CG ARG A 12 1.812 -36.222 -5.691 1.00 32.21 C ATOM 220 CD ARG A 12 1.746 -35.460 -4.367 1.00 42.24 C ATOM 221 NE ARG A 12 0.637 -35.944 -3.536 1.00 42.13 N ATOM 222 CZ ARG A 12 0.061 -35.249 -2.541 1.00 0.30 C ATOM 223 NH1 ARG A 12 0.483 -34.015 -2.224 1.00 54.12 N ATOM 224 NH2 ARG A 12 -0.950 -35.796 -1.853 1.00 3.01 N ATOM 0 H ARG A 12 4.677 -34.859 -8.006 1.00 40.31 H new ATOM 0 HA ARG A 12 4.404 -35.193 -5.219 1.00 2.01 H new ATOM 0 HB2 ARG A 12 2.616 -34.557 -6.788 1.00 62.24 H new ATOM 0 HB3 ARG A 12 2.760 -36.095 -7.616 1.00 62.24 H new ATOM 0 HG2 ARG A 12 0.831 -36.212 -6.166 1.00 32.21 H new ATOM 0 HG3 ARG A 12 2.063 -37.265 -5.499 1.00 32.21 H new ATOM 0 HD2 ARG A 12 2.687 -35.577 -3.829 1.00 42.24 H new ATOM 0 HD3 ARG A 12 1.621 -34.395 -4.562 1.00 42.24 H new ATOM 0 HE ARG A 12 0.276 -36.879 -3.729 1.00 42.13 H new ATOM 0 HH11 ARG A 12 1.253 -33.591 -2.742 1.00 54.12 H new ATOM 0 HH12 ARG A 12 0.034 -33.502 -1.466 1.00 54.12 H new ATOM 0 HH21 ARG A 12 -1.277 -36.734 -2.086 1.00 3.01 H new ATOM 0 HH22 ARG A 12 -1.393 -35.275 -1.096 1.00 3.01 H new ATOM 238 N HIS A 13 4.476 -38.045 -6.902 1.00 22.43 N ATOM 239 CA HIS A 13 4.864 -39.444 -6.890 1.00 13.24 C ATOM 240 C HIS A 13 6.327 -39.531 -7.342 1.00 32.43 C ATOM 241 O HIS A 13 6.759 -38.695 -8.136 1.00 74.22 O ATOM 242 CB HIS A 13 3.919 -40.213 -7.822 1.00 4.51 C ATOM 243 CG HIS A 13 2.483 -40.153 -7.371 1.00 63.24 C ATOM 244 ND1 HIS A 13 1.905 -41.127 -6.573 1.00 74.21 N ATOM 245 CD2 HIS A 13 1.495 -39.220 -7.578 1.00 11.11 C ATOM 246 CE1 HIS A 13 0.635 -40.748 -6.340 1.00 22.33 C ATOM 247 NE2 HIS A 13 0.325 -39.588 -6.923 1.00 62.31 N ATOM 0 H HIS A 13 4.024 -37.764 -7.772 1.00 22.43 H new ATOM 0 HA HIS A 13 4.787 -39.886 -5.897 1.00 13.24 H new ATOM 0 HB2 HIS A 13 3.997 -39.804 -8.829 1.00 4.51 H new ATOM 0 HB3 HIS A 13 4.236 -41.255 -7.875 1.00 4.51 H new ATOM 0 HD2 HIS A 13 1.612 -38.323 -8.169 1.00 11.11 H new ATOM 0 HE1 HIS A 13 -0.060 -41.322 -5.744 1.00 22.33 H new ATOM 0 HE2 HIS A 13 -0.564 -39.088 -6.895 1.00 62.31 H new ATOM 255 N PRO A 14 7.108 -40.502 -6.838 1.00 25.45 N ATOM 256 CA PRO A 14 8.533 -40.604 -7.120 1.00 0.31 C ATOM 257 C PRO A 14 8.758 -40.854 -8.611 1.00 15.40 C ATOM 258 O PRO A 14 8.167 -41.768 -9.182 1.00 43.02 O ATOM 259 CB PRO A 14 9.049 -41.750 -6.246 1.00 20.52 C ATOM 260 CG PRO A 14 7.808 -42.612 -6.012 1.00 13.24 C ATOM 261 CD PRO A 14 6.683 -41.579 -5.959 1.00 20.23 C ATOM 0 HA PRO A 14 9.072 -39.685 -6.890 1.00 0.31 H new ATOM 0 HB2 PRO A 14 9.838 -42.311 -6.746 1.00 20.52 H new ATOM 0 HB3 PRO A 14 9.465 -41.383 -5.308 1.00 20.52 H new ATOM 0 HG2 PRO A 14 7.658 -43.332 -6.816 1.00 13.24 H new ATOM 0 HG3 PRO A 14 7.879 -43.180 -5.085 1.00 13.24 H new ATOM 0 HD2 PRO A 14 5.738 -42.009 -6.292 1.00 20.23 H new ATOM 0 HD3 PRO A 14 6.528 -41.218 -4.942 1.00 20.23 H new ATOM 269 N ALA A 15 9.575 -40.001 -9.240 1.00 12.20 N ATOM 270 CA ALA A 15 9.759 -39.965 -10.682 1.00 13.24 C ATOM 271 C ALA A 15 10.672 -41.098 -11.154 1.00 73.42 C ATOM 272 O ALA A 15 11.872 -40.896 -11.332 1.00 52.13 O ATOM 273 CB ALA A 15 10.303 -38.590 -11.084 1.00 14.44 C ATOM 0 H ALA A 15 10.134 -39.306 -8.745 1.00 12.20 H new ATOM 0 HA ALA A 15 8.798 -40.119 -11.172 1.00 13.24 H new ATOM 0 HB1 ALA A 15 10.443 -38.556 -12.164 1.00 14.44 H new ATOM 0 HB2 ALA A 15 9.595 -37.817 -10.786 1.00 14.44 H new ATOM 0 HB3 ALA A 15 11.258 -38.418 -10.588 1.00 14.44 H new ATOM 279 N GLU A 16 10.091 -42.280 -11.403 1.00 32.10 N ATOM 280 CA GLU A 16 10.780 -43.374 -12.077 1.00 31.30 C ATOM 281 C GLU A 16 11.036 -42.993 -13.539 1.00 12.20 C ATOM 282 O GLU A 16 10.340 -42.149 -14.105 1.00 43.54 O ATOM 283 CB GLU A 16 9.958 -44.669 -12.003 1.00 54.22 C ATOM 284 CG GLU A 16 10.042 -45.385 -10.650 1.00 64.21 C ATOM 285 CD GLU A 16 9.326 -44.638 -9.531 1.00 23.42 C ATOM 286 OE1 GLU A 16 8.080 -44.738 -9.488 1.00 64.34 O ATOM 287 OE2 GLU A 16 10.038 -43.993 -8.733 1.00 21.43 O ATOM 0 H GLU A 16 9.130 -42.498 -11.140 1.00 32.10 H new ATOM 0 HA GLU A 16 11.731 -43.550 -11.575 1.00 31.30 H new ATOM 0 HB2 GLU A 16 8.914 -44.437 -12.216 1.00 54.22 H new ATOM 0 HB3 GLU A 16 10.299 -45.349 -12.784 1.00 54.22 H new ATOM 0 HG2 GLU A 16 9.612 -46.382 -10.746 1.00 64.21 H new ATOM 0 HG3 GLU A 16 11.090 -45.515 -10.379 1.00 64.21 H new ATOM 294 N ASN A 17 12.051 -43.626 -14.139 1.00 21.13 N ATOM 295 CA ASN A 17 12.497 -43.361 -15.499 1.00 22.14 C ATOM 296 C ASN A 17 11.409 -43.774 -16.495 1.00 52.43 C ATOM 297 O ASN A 17 11.224 -44.964 -16.746 1.00 65.33 O ATOM 298 CB ASN A 17 13.811 -44.123 -15.741 1.00 15.51 C ATOM 299 CG ASN A 17 14.512 -43.717 -17.038 1.00 5.22 C ATOM 300 OD1 ASN A 17 15.599 -43.148 -16.997 1.00 4.21 O ATOM 301 ND2 ASN A 17 13.915 -44.030 -18.191 1.00 33.35 N ATOM 0 H ASN A 17 12.594 -44.354 -13.675 1.00 21.13 H new ATOM 0 HA ASN A 17 12.680 -42.296 -15.642 1.00 22.14 H new ATOM 0 HB2 ASN A 17 14.484 -43.949 -14.902 1.00 15.51 H new ATOM 0 HB3 ASN A 17 13.604 -45.193 -15.767 1.00 15.51 H new ATOM 0 HD21 ASN A 17 14.363 -43.796 -19.077 1.00 33.35 H new ATOM 0 HD22 ASN A 17 13.011 -44.503 -18.185 1.00 33.35 H new ATOM 308 N GLY A 18 10.702 -42.793 -17.069 1.00 41.31 N ATOM 309 CA GLY A 18 9.653 -43.036 -18.047 1.00 64.45 C ATOM 310 C GLY A 18 8.448 -43.707 -17.390 1.00 13.13 C ATOM 311 O GLY A 18 8.143 -44.861 -17.686 1.00 22.23 O ATOM 0 H GLY A 18 10.848 -41.805 -16.862 1.00 41.31 H new ATOM 0 HA2 GLY A 18 9.348 -42.094 -18.502 1.00 64.45 H new ATOM 0 HA3 GLY A 18 10.035 -43.668 -18.849 1.00 64.45 H new ATOM 315 N LYS A 19 7.771 -42.976 -16.496 1.00 42.31 N ATOM 316 CA LYS A 19 6.584 -43.427 -15.778 1.00 60.43 C ATOM 317 C LYS A 19 5.671 -42.221 -15.549 1.00 3.01 C ATOM 318 O LYS A 19 6.136 -41.090 -15.634 1.00 32.14 O ATOM 319 CB LYS A 19 7.016 -44.080 -14.455 1.00 23.12 C ATOM 320 CG LYS A 19 5.889 -44.900 -13.814 1.00 23.10 C ATOM 321 CD LYS A 19 6.395 -45.616 -12.556 1.00 24.13 C ATOM 322 CE LYS A 19 5.308 -46.473 -11.901 1.00 3.20 C ATOM 323 NZ LYS A 19 4.890 -47.591 -12.765 1.00 4.01 N ATOM 0 H LYS A 19 8.047 -42.026 -16.248 1.00 42.31 H new ATOM 0 HA LYS A 19 6.033 -44.172 -16.352 1.00 60.43 H new ATOM 0 HB2 LYS A 19 7.875 -44.726 -14.635 1.00 23.12 H new ATOM 0 HB3 LYS A 19 7.340 -43.306 -13.759 1.00 23.12 H new ATOM 0 HG2 LYS A 19 5.056 -44.246 -13.557 1.00 23.10 H new ATOM 0 HG3 LYS A 19 5.511 -45.631 -14.529 1.00 23.10 H new ATOM 0 HD2 LYS A 19 7.245 -46.247 -12.816 1.00 24.13 H new ATOM 0 HD3 LYS A 19 6.754 -44.877 -11.839 1.00 24.13 H new ATOM 0 HE2 LYS A 19 5.678 -46.866 -10.954 1.00 3.20 H new ATOM 0 HE3 LYS A 19 4.444 -45.849 -11.672 1.00 3.20 H new ATOM 0 HZ1 LYS A 19 4.283 -48.240 -12.224 1.00 4.01 H new ATOM 0 HZ2 LYS A 19 4.361 -47.221 -13.580 1.00 4.01 H new ATOM 0 HZ3 LYS A 19 5.731 -48.103 -13.101 1.00 4.01 H new ATOM 337 N SER A 20 4.378 -42.453 -15.284 1.00 14.40 N ATOM 338 CA SER A 20 3.392 -41.402 -15.043 1.00 44.43 C ATOM 339 C SER A 20 3.469 -40.910 -13.594 1.00 40.34 C ATOM 340 O SER A 20 3.500 -41.720 -12.668 1.00 72.41 O ATOM 341 CB SER A 20 1.989 -41.929 -15.361 1.00 20.11 C ATOM 342 OG SER A 20 1.904 -42.308 -16.719 1.00 74.34 O ATOM 0 H SER A 20 3.986 -43.393 -15.231 1.00 14.40 H new ATOM 0 HA SER A 20 3.609 -40.557 -15.696 1.00 44.43 H new ATOM 0 HB2 SER A 20 1.761 -42.783 -14.723 1.00 20.11 H new ATOM 0 HB3 SER A 20 1.247 -41.161 -15.144 1.00 20.11 H new ATOM 0 HG SER A 20 1.003 -42.645 -16.909 1.00 74.34 H new ATOM 348 N ASN A 21 3.508 -39.583 -13.410 1.00 13.24 N ATOM 349 CA ASN A 21 3.637 -38.902 -12.122 1.00 71.23 C ATOM 350 C ASN A 21 2.884 -37.567 -12.189 1.00 2.30 C ATOM 351 O ASN A 21 2.362 -37.219 -13.246 1.00 42.33 O ATOM 352 CB ASN A 21 5.127 -38.668 -11.824 1.00 23.12 C ATOM 353 CG ASN A 21 5.921 -39.972 -11.741 1.00 13.00 C ATOM 354 OD1 ASN A 21 6.433 -40.461 -12.746 1.00 14.12 O ATOM 355 ND2 ASN A 21 6.034 -40.542 -10.543 1.00 20.22 N ATOM 0 H ASN A 21 3.448 -38.930 -14.191 1.00 13.24 H new ATOM 0 HA ASN A 21 3.211 -39.510 -11.324 1.00 71.23 H new ATOM 0 HB2 ASN A 21 5.554 -38.035 -12.602 1.00 23.12 H new ATOM 0 HB3 ASN A 21 5.225 -38.127 -10.883 1.00 23.12 H new ATOM 0 HD21 ASN A 21 6.558 -41.411 -10.439 1.00 20.22 H new ATOM 0 HD22 ASN A 21 5.597 -40.110 -9.729 1.00 20.22 H new ATOM 362 N PHE A 22 2.810 -36.821 -11.073 1.00 12.03 N ATOM 363 CA PHE A 22 2.158 -35.511 -11.037 1.00 60.25 C ATOM 364 C PHE A 22 3.137 -34.381 -10.699 1.00 60.42 C ATOM 365 O PHE A 22 3.768 -34.400 -9.645 1.00 35.21 O ATOM 366 CB PHE A 22 0.965 -35.532 -10.075 1.00 5.40 C ATOM 367 CG PHE A 22 -0.273 -36.176 -10.670 1.00 0.33 C ATOM 368 CD1 PHE A 22 -0.416 -37.576 -10.674 1.00 34.30 C ATOM 369 CD2 PHE A 22 -1.245 -35.374 -11.297 1.00 74.31 C ATOM 370 CE1 PHE A 22 -1.534 -38.168 -11.286 1.00 2.13 C ATOM 371 CE2 PHE A 22 -2.378 -35.964 -11.881 1.00 73.33 C ATOM 372 CZ PHE A 22 -2.522 -37.362 -11.877 1.00 33.22 C ATOM 0 H PHE A 22 3.200 -37.112 -10.177 1.00 12.03 H new ATOM 0 HA PHE A 22 1.786 -35.302 -12.040 1.00 60.25 H new ATOM 0 HB2 PHE A 22 1.246 -36.070 -9.170 1.00 5.40 H new ATOM 0 HB3 PHE A 22 0.728 -34.510 -9.778 1.00 5.40 H new ATOM 0 HD1 PHE A 22 0.334 -38.196 -10.206 1.00 34.30 H new ATOM 0 HD2 PHE A 22 -1.119 -34.302 -11.329 1.00 74.31 H new ATOM 0 HE1 PHE A 22 -1.634 -39.243 -11.302 1.00 2.13 H new ATOM 0 HE2 PHE A 22 -3.138 -35.344 -12.333 1.00 73.33 H new ATOM 0 HZ PHE A 22 -3.392 -37.817 -12.328 1.00 33.22 H new ATOM 382 N LEU A 23 3.239 -33.389 -11.596 1.00 0.14 N ATOM 383 CA LEU A 23 4.079 -32.206 -11.448 1.00 40.23 C ATOM 384 C LEU A 23 3.272 -31.144 -10.713 1.00 31.20 C ATOM 385 O LEU A 23 2.399 -30.515 -11.308 1.00 74.41 O ATOM 386 CB LEU A 23 4.490 -31.707 -12.840 1.00 34.41 C ATOM 387 CG LEU A 23 5.340 -30.430 -12.849 1.00 1.50 C ATOM 388 CD1 LEU A 23 6.713 -30.679 -12.219 1.00 2.34 C ATOM 389 CD2 LEU A 23 5.514 -29.983 -14.304 1.00 72.22 C ATOM 0 H LEU A 23 2.718 -33.395 -12.473 1.00 0.14 H new ATOM 0 HA LEU A 23 4.982 -32.434 -10.881 1.00 40.23 H new ATOM 0 HB2 LEU A 23 5.046 -32.498 -13.343 1.00 34.41 H new ATOM 0 HB3 LEU A 23 3.588 -31.529 -13.426 1.00 34.41 H new ATOM 0 HG LEU A 23 4.839 -29.658 -12.265 1.00 1.50 H new ATOM 0 HD11 LEU A 23 7.295 -29.757 -12.238 1.00 2.34 H new ATOM 0 HD12 LEU A 23 6.586 -31.006 -11.187 1.00 2.34 H new ATOM 0 HD13 LEU A 23 7.237 -31.451 -12.782 1.00 2.34 H new ATOM 0 HD21 LEU A 23 6.116 -29.075 -14.336 1.00 72.22 H new ATOM 0 HD22 LEU A 23 6.014 -30.770 -14.869 1.00 72.22 H new ATOM 0 HD23 LEU A 23 4.536 -29.786 -14.743 1.00 72.22 H new ATOM 401 N ASN A 24 3.560 -30.955 -9.421 1.00 21.42 N ATOM 402 CA ASN A 24 2.789 -30.094 -8.543 1.00 53.35 C ATOM 403 C ASN A 24 3.486 -28.746 -8.443 1.00 62.23 C ATOM 404 O ASN A 24 4.335 -28.548 -7.574 1.00 14.14 O ATOM 405 CB ASN A 24 2.649 -30.761 -7.173 1.00 61.22 C ATOM 406 CG ASN A 24 1.648 -31.918 -7.188 1.00 43.11 C ATOM 407 OD1 ASN A 24 1.422 -32.546 -8.219 1.00 25.33 O ATOM 408 ND2 ASN A 24 1.039 -32.203 -6.035 1.00 45.52 N ATOM 0 H ASN A 24 4.348 -31.406 -8.957 1.00 21.42 H new ATOM 0 HA ASN A 24 1.787 -29.935 -8.941 1.00 53.35 H new ATOM 0 HB2 ASN A 24 3.622 -31.130 -6.850 1.00 61.22 H new ATOM 0 HB3 ASN A 24 2.331 -30.018 -6.441 1.00 61.22 H new ATOM 0 HD21 ASN A 24 0.361 -32.964 -5.991 1.00 45.52 H new ATOM 0 HD22 ASN A 24 1.252 -31.660 -5.198 1.00 45.52 H new ATOM 415 N CYS A 25 3.102 -27.822 -9.331 1.00 5.23 N ATOM 416 CA CYS A 25 3.596 -26.453 -9.311 1.00 3.32 C ATOM 417 C CYS A 25 2.765 -25.667 -8.299 1.00 40.31 C ATOM 418 O CYS A 25 1.694 -25.163 -8.630 1.00 25.10 O ATOM 419 CB CYS A 25 3.584 -25.843 -10.722 1.00 61.33 C ATOM 420 SG CYS A 25 4.164 -24.124 -10.791 1.00 2.25 S ATOM 0 H CYS A 25 2.438 -28.009 -10.083 1.00 5.23 H new ATOM 0 HA CYS A 25 4.639 -26.419 -8.996 1.00 3.32 H new ATOM 0 HB2 CYS A 25 4.209 -26.452 -11.375 1.00 61.33 H new ATOM 0 HB3 CYS A 25 2.569 -25.889 -11.118 1.00 61.33 H new ATOM 425 N TYR A 26 3.249 -25.608 -7.052 1.00 33.45 N ATOM 426 CA TYR A 26 2.540 -25.004 -5.934 1.00 1.12 C ATOM 427 C TYR A 26 2.917 -23.524 -5.828 1.00 51.45 C ATOM 428 O TYR A 26 3.976 -23.182 -5.303 1.00 11.32 O ATOM 429 CB TYR A 26 2.849 -25.795 -4.659 1.00 22.15 C ATOM 430 CG TYR A 26 2.145 -25.305 -3.410 1.00 32.33 C ATOM 431 CD1 TYR A 26 0.847 -25.756 -3.116 1.00 11.01 C ATOM 432 CD2 TYR A 26 2.834 -24.516 -2.471 1.00 54.31 C ATOM 433 CE1 TYR A 26 0.283 -25.509 -1.855 1.00 3.42 C ATOM 434 CE2 TYR A 26 2.250 -24.222 -1.227 1.00 20.22 C ATOM 435 CZ TYR A 26 0.973 -24.724 -0.916 1.00 23.52 C ATOM 436 OH TYR A 26 0.406 -24.454 0.296 1.00 42.53 O ATOM 0 H TYR A 26 4.160 -25.987 -6.795 1.00 33.45 H new ATOM 0 HA TYR A 26 1.462 -25.045 -6.088 1.00 1.12 H new ATOM 0 HB2 TYR A 26 2.579 -26.838 -4.823 1.00 22.15 H new ATOM 0 HB3 TYR A 26 3.925 -25.767 -4.485 1.00 22.15 H new ATOM 0 HD1 TYR A 26 0.282 -26.294 -3.863 1.00 11.01 H new ATOM 0 HD2 TYR A 26 3.816 -24.134 -2.707 1.00 54.31 H new ATOM 0 HE1 TYR A 26 -0.683 -25.923 -1.606 1.00 3.42 H new ATOM 0 HE2 TYR A 26 2.781 -23.612 -0.511 1.00 20.22 H new ATOM 0 HH TYR A 26 -0.539 -24.228 0.172 1.00 42.53 H new ATOM 446 N VAL A 27 2.050 -22.656 -6.361 1.00 52.24 N ATOM 447 CA VAL A 27 2.307 -21.234 -6.540 1.00 3.40 C ATOM 448 C VAL A 27 1.614 -20.462 -5.415 1.00 20.54 C ATOM 449 O VAL A 27 0.415 -20.207 -5.505 1.00 2.23 O ATOM 450 CB VAL A 27 1.805 -20.818 -7.937 1.00 1.53 C ATOM 451 CG1 VAL A 27 2.094 -19.343 -8.225 1.00 12.04 C ATOM 452 CG2 VAL A 27 2.507 -21.637 -9.028 1.00 53.53 C ATOM 0 H VAL A 27 1.125 -22.938 -6.687 1.00 52.24 H new ATOM 0 HA VAL A 27 3.372 -21.008 -6.486 1.00 3.40 H new ATOM 0 HB VAL A 27 0.730 -20.995 -7.945 1.00 1.53 H new ATOM 0 HG11 VAL A 27 1.726 -19.087 -9.219 1.00 12.04 H new ATOM 0 HG12 VAL A 27 1.594 -18.722 -7.482 1.00 12.04 H new ATOM 0 HG13 VAL A 27 3.169 -19.167 -8.180 1.00 12.04 H new ATOM 0 HG21 VAL A 27 2.140 -21.329 -10.007 1.00 53.53 H new ATOM 0 HG22 VAL A 27 3.583 -21.468 -8.974 1.00 53.53 H new ATOM 0 HG23 VAL A 27 2.298 -22.696 -8.879 1.00 53.53 H new ATOM 462 N SER A 28 2.355 -20.129 -4.346 1.00 33.30 N ATOM 463 CA SER A 28 1.781 -19.577 -3.121 1.00 24.33 C ATOM 464 C SER A 28 2.191 -18.132 -2.833 1.00 14.30 C ATOM 465 O SER A 28 3.342 -17.748 -3.040 1.00 35.13 O ATOM 466 CB SER A 28 2.131 -20.486 -1.937 1.00 43.12 C ATOM 467 OG SER A 28 3.528 -20.630 -1.811 1.00 25.42 O ATOM 0 H SER A 28 3.369 -20.237 -4.313 1.00 33.30 H new ATOM 0 HA SER A 28 0.702 -19.546 -3.269 1.00 24.33 H new ATOM 0 HB2 SER A 28 1.720 -20.068 -1.018 1.00 43.12 H new ATOM 0 HB3 SER A 28 1.671 -21.464 -2.076 1.00 43.12 H new ATOM 0 HG SER A 28 3.729 -21.212 -1.049 1.00 25.42 H new ATOM 473 N GLY A 29 1.243 -17.365 -2.275 1.00 52.35 N ATOM 474 CA GLY A 29 1.492 -16.112 -1.577 1.00 35.42 C ATOM 475 C GLY A 29 1.716 -14.907 -2.489 1.00 40.42 C ATOM 476 O GLY A 29 2.460 -14.008 -2.107 1.00 3.03 O ATOM 0 H GLY A 29 0.254 -17.614 -2.302 1.00 52.35 H new ATOM 0 HA2 GLY A 29 0.646 -15.902 -0.922 1.00 35.42 H new ATOM 0 HA3 GLY A 29 2.367 -16.235 -0.939 1.00 35.42 H new ATOM 480 N PHE A 30 1.083 -14.875 -3.669 1.00 60.23 N ATOM 481 CA PHE A 30 1.275 -13.824 -4.666 1.00 63.45 C ATOM 482 C PHE A 30 0.074 -12.874 -4.703 1.00 34.50 C ATOM 483 O PHE A 30 -1.068 -13.325 -4.654 1.00 22.53 O ATOM 484 CB PHE A 30 1.499 -14.462 -6.042 1.00 33.50 C ATOM 485 CG PHE A 30 0.335 -15.289 -6.549 1.00 24.13 C ATOM 486 CD1 PHE A 30 0.211 -16.644 -6.194 1.00 61.13 C ATOM 487 CD2 PHE A 30 -0.703 -14.656 -7.252 1.00 63.15 C ATOM 488 CE1 PHE A 30 -0.971 -17.340 -6.497 1.00 11.20 C ATOM 489 CE2 PHE A 30 -1.916 -15.326 -7.470 1.00 72.44 C ATOM 490 CZ PHE A 30 -2.053 -16.668 -7.089 1.00 52.44 C ATOM 0 H PHE A 30 0.415 -15.590 -3.958 1.00 60.23 H new ATOM 0 HA PHE A 30 2.152 -13.237 -4.393 1.00 63.45 H new ATOM 0 HB2 PHE A 30 1.709 -13.673 -6.764 1.00 33.50 H new ATOM 0 HB3 PHE A 30 2.385 -15.095 -5.995 1.00 33.50 H new ATOM 0 HD1 PHE A 30 1.022 -17.148 -5.690 1.00 61.13 H new ATOM 0 HD2 PHE A 30 -0.567 -13.652 -7.625 1.00 63.15 H new ATOM 0 HE1 PHE A 30 -1.048 -18.394 -6.274 1.00 11.20 H new ATOM 0 HE2 PHE A 30 -2.744 -14.808 -7.931 1.00 72.44 H new ATOM 0 HZ PHE A 30 -2.988 -17.184 -7.250 1.00 52.44 H new ATOM 500 N HIS A 31 0.335 -11.563 -4.782 1.00 2.15 N ATOM 501 CA HIS A 31 -0.699 -10.529 -4.843 1.00 43.22 C ATOM 502 C HIS A 31 -0.568 -9.733 -6.145 1.00 12.44 C ATOM 503 O HIS A 31 0.545 -9.329 -6.478 1.00 5.42 O ATOM 504 CB HIS A 31 -0.548 -9.583 -3.646 1.00 75.33 C ATOM 505 CG HIS A 31 -1.107 -10.153 -2.369 1.00 13.15 C ATOM 506 ND1 HIS A 31 -2.028 -9.469 -1.591 1.00 32.30 N ATOM 507 CD2 HIS A 31 -0.934 -11.363 -1.745 1.00 31.41 C ATOM 508 CE1 HIS A 31 -2.355 -10.270 -0.565 1.00 63.23 C ATOM 509 NE2 HIS A 31 -1.714 -11.439 -0.598 1.00 33.21 N ATOM 0 H HIS A 31 1.283 -11.189 -4.805 1.00 2.15 H new ATOM 0 HA HIS A 31 -1.680 -11.003 -4.813 1.00 43.22 H new ATOM 0 HB2 HIS A 31 0.508 -9.353 -3.503 1.00 75.33 H new ATOM 0 HB3 HIS A 31 -1.052 -8.642 -3.868 1.00 75.33 H new ATOM 0 HD1 HIS A 31 -2.390 -8.531 -1.766 1.00 32.30 H new ATOM 0 HD2 HIS A 31 -0.281 -12.148 -2.097 1.00 31.41 H new ATOM 0 HE1 HIS A 31 -3.062 -9.997 0.205 1.00 63.23 H new ATOM 517 N PRO A 32 -1.663 -9.456 -6.876 1.00 13.21 N ATOM 518 CA PRO A 32 -3.048 -9.808 -6.583 1.00 3.30 C ATOM 519 C PRO A 32 -3.344 -11.246 -7.029 1.00 53.51 C ATOM 520 O PRO A 32 -2.433 -11.998 -7.366 1.00 55.41 O ATOM 521 CB PRO A 32 -3.866 -8.793 -7.391 1.00 53.44 C ATOM 522 CG PRO A 32 -3.019 -8.621 -8.649 1.00 52.25 C ATOM 523 CD PRO A 32 -1.599 -8.660 -8.090 1.00 72.54 C ATOM 0 HA PRO A 32 -3.281 -9.772 -5.519 1.00 3.30 H new ATOM 0 HB2 PRO A 32 -4.864 -9.166 -7.621 1.00 53.44 H new ATOM 0 HB3 PRO A 32 -3.992 -7.853 -6.854 1.00 53.44 H new ATOM 0 HG2 PRO A 32 -3.195 -9.419 -9.370 1.00 52.25 H new ATOM 0 HG3 PRO A 32 -3.231 -7.680 -9.157 1.00 52.25 H new ATOM 0 HD2 PRO A 32 -0.909 -9.102 -8.809 1.00 72.54 H new ATOM 0 HD3 PRO A 32 -1.237 -7.654 -7.877 1.00 72.54 H new ATOM 531 N SER A 33 -4.631 -11.609 -7.054 1.00 45.32 N ATOM 532 CA SER A 33 -5.138 -12.886 -7.542 1.00 1.22 C ATOM 533 C SER A 33 -4.828 -13.143 -9.024 1.00 25.10 C ATOM 534 O SER A 33 -4.876 -14.292 -9.460 1.00 55.14 O ATOM 535 CB SER A 33 -6.654 -12.921 -7.312 1.00 15.02 C ATOM 536 OG SER A 33 -7.275 -11.823 -7.950 1.00 31.34 O ATOM 0 H SER A 33 -5.373 -10.994 -6.721 1.00 45.32 H new ATOM 0 HA SER A 33 -4.632 -13.677 -6.988 1.00 1.22 H new ATOM 0 HB2 SER A 33 -7.065 -13.854 -7.698 1.00 15.02 H new ATOM 0 HB3 SER A 33 -6.867 -12.897 -6.243 1.00 15.02 H new ATOM 0 HG SER A 33 -8.242 -11.859 -7.796 1.00 31.34 H new ATOM 542 N ASP A 34 -4.560 -12.085 -9.801 1.00 23.41 N ATOM 543 CA ASP A 34 -4.540 -12.109 -11.259 1.00 13.02 C ATOM 544 C ASP A 34 -3.208 -12.638 -11.810 1.00 72.21 C ATOM 545 O ASP A 34 -2.452 -11.891 -12.430 1.00 53.44 O ATOM 546 CB ASP A 34 -4.860 -10.694 -11.771 1.00 51.13 C ATOM 547 CG ASP A 34 -6.173 -10.164 -11.192 1.00 3.05 C ATOM 548 OD1 ASP A 34 -6.097 -9.466 -10.157 1.00 0.30 O ATOM 549 OD2 ASP A 34 -7.227 -10.477 -11.786 1.00 11.03 O ATOM 0 H ASP A 34 -4.346 -11.165 -9.416 1.00 23.41 H new ATOM 0 HA ASP A 34 -5.298 -12.804 -11.621 1.00 13.02 H new ATOM 0 HB2 ASP A 34 -4.047 -10.019 -11.505 1.00 51.13 H new ATOM 0 HB3 ASP A 34 -4.921 -10.706 -12.859 1.00 51.13 H new ATOM 554 N ILE A 35 -2.935 -13.933 -11.592 1.00 44.32 N ATOM 555 CA ILE A 35 -1.720 -14.615 -12.037 1.00 23.40 C ATOM 556 C ILE A 35 -1.964 -15.410 -13.325 1.00 25.20 C ATOM 557 O ILE A 35 -3.111 -15.670 -13.688 1.00 20.30 O ATOM 558 CB ILE A 35 -1.154 -15.484 -10.895 1.00 64.12 C ATOM 559 CG1 ILE A 35 0.293 -15.920 -11.184 1.00 20.10 C ATOM 560 CG2 ILE A 35 -2.046 -16.703 -10.608 1.00 65.43 C ATOM 561 CD1 ILE A 35 1.082 -16.224 -9.909 1.00 11.32 C ATOM 0 H ILE A 35 -3.573 -14.548 -11.087 1.00 44.32 H new ATOM 0 HA ILE A 35 -0.965 -13.869 -12.285 1.00 23.40 H new ATOM 0 HB ILE A 35 -1.146 -14.864 -9.999 1.00 64.12 H new ATOM 0 HG12 ILE A 35 0.282 -16.805 -11.820 1.00 20.10 H new ATOM 0 HG13 ILE A 35 0.801 -15.134 -11.742 1.00 20.10 H new ATOM 0 HG21 ILE A 35 -1.612 -17.289 -9.798 1.00 65.43 H new ATOM 0 HG22 ILE A 35 -3.041 -16.366 -10.319 1.00 65.43 H new ATOM 0 HG23 ILE A 35 -2.118 -17.320 -11.504 1.00 65.43 H new ATOM 0 HD11 ILE A 35 2.096 -16.527 -10.172 1.00 11.32 H new ATOM 0 HD12 ILE A 35 1.120 -15.332 -9.283 1.00 11.32 H new ATOM 0 HD13 ILE A 35 0.593 -17.030 -9.362 1.00 11.32 H new ATOM 573 N GLU A 36 -0.875 -15.787 -14.010 1.00 1.11 N ATOM 574 CA GLU A 36 -0.886 -16.495 -15.283 1.00 24.23 C ATOM 575 C GLU A 36 0.149 -17.624 -15.245 1.00 71.31 C ATOM 576 O GLU A 36 1.266 -17.482 -15.742 1.00 21.11 O ATOM 577 CB GLU A 36 -0.562 -15.508 -16.405 1.00 52.01 C ATOM 578 CG GLU A 36 -1.590 -14.382 -16.547 1.00 2.10 C ATOM 579 CD GLU A 36 -1.166 -13.411 -17.645 1.00 25.34 C ATOM 580 OE1 GLU A 36 -1.620 -13.607 -18.792 1.00 45.32 O ATOM 581 OE2 GLU A 36 -0.384 -12.491 -17.317 1.00 11.10 O ATOM 0 H GLU A 36 0.069 -15.597 -13.674 1.00 1.11 H new ATOM 0 HA GLU A 36 -1.869 -16.929 -15.464 1.00 24.23 H new ATOM 0 HB2 GLU A 36 0.420 -15.071 -16.221 1.00 52.01 H new ATOM 0 HB3 GLU A 36 -0.498 -16.051 -17.348 1.00 52.01 H new ATOM 0 HG2 GLU A 36 -2.568 -14.801 -16.781 1.00 2.10 H new ATOM 0 HG3 GLU A 36 -1.690 -13.850 -15.601 1.00 2.10 H new ATOM 588 N VAL A 37 -0.237 -18.756 -14.653 1.00 31.23 N ATOM 589 CA VAL A 37 0.584 -19.958 -14.602 1.00 51.15 C ATOM 590 C VAL A 37 0.324 -20.777 -15.866 1.00 53.04 C ATOM 591 O VAL A 37 -0.633 -21.547 -15.937 1.00 31.44 O ATOM 592 CB VAL A 37 0.301 -20.759 -13.326 1.00 61.14 C ATOM 593 CG1 VAL A 37 1.281 -21.933 -13.219 1.00 13.53 C ATOM 594 CG2 VAL A 37 0.444 -19.868 -12.085 1.00 4.03 C ATOM 0 H VAL A 37 -1.140 -18.861 -14.191 1.00 31.23 H new ATOM 0 HA VAL A 37 1.640 -19.690 -14.568 1.00 51.15 H new ATOM 0 HB VAL A 37 -0.721 -21.135 -13.377 1.00 61.14 H new ATOM 0 HG11 VAL A 37 1.074 -22.498 -12.310 1.00 13.53 H new ATOM 0 HG12 VAL A 37 1.165 -22.584 -14.085 1.00 13.53 H new ATOM 0 HG13 VAL A 37 2.302 -21.553 -13.186 1.00 13.53 H new ATOM 0 HG21 VAL A 37 0.239 -20.455 -11.190 1.00 4.03 H new ATOM 0 HG22 VAL A 37 1.459 -19.473 -12.036 1.00 4.03 H new ATOM 0 HG23 VAL A 37 -0.264 -19.042 -12.147 1.00 4.03 H new ATOM 604 N ASP A 38 1.184 -20.579 -16.867 1.00 11.45 N ATOM 605 CA ASP A 38 1.013 -21.079 -18.225 1.00 44.21 C ATOM 606 C ASP A 38 1.867 -22.332 -18.457 1.00 14.22 C ATOM 607 O ASP A 38 2.511 -22.453 -19.498 1.00 74.14 O ATOM 608 CB ASP A 38 1.407 -19.956 -19.197 1.00 52.33 C ATOM 609 CG ASP A 38 0.723 -18.627 -18.878 1.00 74.44 C ATOM 610 OD1 ASP A 38 -0.520 -18.638 -18.748 1.00 60.44 O ATOM 611 OD2 ASP A 38 1.460 -17.622 -18.771 1.00 0.33 O ATOM 0 H ASP A 38 2.046 -20.048 -16.746 1.00 11.45 H new ATOM 0 HA ASP A 38 -0.025 -21.366 -18.390 1.00 44.21 H new ATOM 0 HB2 ASP A 38 2.488 -19.819 -19.167 1.00 52.33 H new ATOM 0 HB3 ASP A 38 1.152 -20.256 -20.213 1.00 52.33 H new ATOM 616 N LEU A 39 1.892 -23.249 -17.479 1.00 23.42 N ATOM 617 CA LEU A 39 2.780 -24.409 -17.441 1.00 4.22 C ATOM 618 C LEU A 39 2.707 -25.295 -18.681 1.00 73.13 C ATOM 619 O LEU A 39 1.672 -25.363 -19.344 1.00 0.10 O ATOM 620 CB LEU A 39 2.551 -25.237 -16.173 1.00 14.13 C ATOM 621 CG LEU A 39 1.216 -26.003 -16.142 1.00 11.03 C ATOM 622 CD1 LEU A 39 1.260 -27.035 -15.008 1.00 1.12 C ATOM 623 CD2 LEU A 39 -0.005 -25.099 -15.938 1.00 40.03 C ATOM 0 H LEU A 39 1.273 -23.198 -16.670 1.00 23.42 H new ATOM 0 HA LEU A 39 3.790 -23.998 -17.427 1.00 4.22 H new ATOM 0 HB2 LEU A 39 3.368 -25.951 -16.069 1.00 14.13 H new ATOM 0 HB3 LEU A 39 2.595 -24.574 -15.309 1.00 14.13 H new ATOM 0 HG LEU A 39 1.102 -26.477 -17.117 1.00 11.03 H new ATOM 0 HD11 LEU A 39 0.318 -27.583 -14.978 1.00 1.12 H new ATOM 0 HD12 LEU A 39 2.080 -27.732 -15.182 1.00 1.12 H new ATOM 0 HD13 LEU A 39 1.413 -26.524 -14.057 1.00 1.12 H new ATOM 0 HD21 LEU A 39 -0.910 -25.707 -15.927 1.00 40.03 H new ATOM 0 HD22 LEU A 39 0.089 -24.570 -14.990 1.00 40.03 H new ATOM 0 HD23 LEU A 39 -0.063 -24.377 -16.752 1.00 40.03 H new ATOM 635 N LEU A 40 3.834 -25.959 -18.972 1.00 42.35 N ATOM 636 CA LEU A 40 4.092 -26.668 -20.221 1.00 40.13 C ATOM 637 C LEU A 40 4.691 -28.055 -19.963 1.00 71.33 C ATOM 638 O LEU A 40 5.184 -28.330 -18.869 1.00 32.20 O ATOM 639 CB LEU A 40 5.070 -25.856 -21.086 1.00 34.13 C ATOM 640 CG LEU A 40 4.665 -24.391 -21.319 1.00 0.05 C ATOM 641 CD1 LEU A 40 5.767 -23.693 -22.121 1.00 5.23 C ATOM 642 CD2 LEU A 40 3.339 -24.273 -22.077 1.00 11.00 C ATOM 0 H LEU A 40 4.615 -26.016 -18.318 1.00 42.35 H new ATOM 0 HA LEU A 40 3.140 -26.790 -20.738 1.00 40.13 H new ATOM 0 HB2 LEU A 40 6.052 -25.876 -20.614 1.00 34.13 H new ATOM 0 HB3 LEU A 40 5.171 -26.348 -22.053 1.00 34.13 H new ATOM 0 HG LEU A 40 4.533 -23.919 -20.345 1.00 0.05 H new ATOM 0 HD11 LEU A 40 5.489 -22.653 -22.292 1.00 5.23 H new ATOM 0 HD12 LEU A 40 6.703 -23.732 -21.564 1.00 5.23 H new ATOM 0 HD13 LEU A 40 5.894 -24.197 -23.079 1.00 5.23 H new ATOM 0 HD21 LEU A 40 3.093 -23.221 -22.219 1.00 11.00 H new ATOM 0 HD22 LEU A 40 3.431 -24.758 -23.049 1.00 11.00 H new ATOM 0 HD23 LEU A 40 2.548 -24.756 -21.504 1.00 11.00 H new ATOM 654 N LYS A 41 4.689 -28.898 -21.005 1.00 13.14 N ATOM 655 CA LYS A 41 5.471 -30.127 -21.086 1.00 74.55 C ATOM 656 C LYS A 41 6.360 -30.007 -22.322 1.00 33.42 C ATOM 657 O LYS A 41 5.949 -30.409 -23.408 1.00 14.22 O ATOM 658 CB LYS A 41 4.550 -31.359 -21.168 1.00 54.03 C ATOM 659 CG LYS A 41 3.774 -31.555 -19.861 1.00 43.23 C ATOM 660 CD LYS A 41 3.071 -32.913 -19.735 1.00 3.51 C ATOM 661 CE LYS A 41 1.943 -33.121 -20.751 1.00 13.12 C ATOM 662 NZ LYS A 41 1.339 -34.457 -20.597 1.00 53.14 N ATOM 0 H LYS A 41 4.124 -28.733 -21.838 1.00 13.14 H new ATOM 0 HA LYS A 41 6.082 -30.261 -20.193 1.00 74.55 H new ATOM 0 HB2 LYS A 41 3.851 -31.240 -21.996 1.00 54.03 H new ATOM 0 HB3 LYS A 41 5.144 -32.248 -21.379 1.00 54.03 H new ATOM 0 HG2 LYS A 41 4.462 -31.437 -19.024 1.00 43.23 H new ATOM 0 HG3 LYS A 41 3.028 -30.765 -19.774 1.00 43.23 H new ATOM 0 HD2 LYS A 41 3.808 -33.706 -19.857 1.00 3.51 H new ATOM 0 HD3 LYS A 41 2.663 -33.009 -18.729 1.00 3.51 H new ATOM 0 HE2 LYS A 41 1.180 -32.354 -20.616 1.00 13.12 H new ATOM 0 HE3 LYS A 41 2.333 -33.008 -21.762 1.00 13.12 H new ATOM 0 HZ1 LYS A 41 0.577 -34.576 -21.295 1.00 53.14 H new ATOM 0 HZ2 LYS A 41 2.065 -35.186 -20.749 1.00 53.14 H new ATOM 0 HZ3 LYS A 41 0.948 -34.553 -19.638 1.00 53.14 H new ATOM 676 N ASN A 42 7.557 -29.421 -22.160 1.00 14.02 N ATOM 677 CA ASN A 42 8.480 -29.112 -23.246 1.00 2.31 C ATOM 678 C ASN A 42 7.753 -28.429 -24.412 1.00 24.31 C ATOM 679 O ASN A 42 7.648 -28.986 -25.504 1.00 23.11 O ATOM 680 CB ASN A 42 9.216 -30.396 -23.651 1.00 15.40 C ATOM 681 CG ASN A 42 10.292 -30.209 -24.719 1.00 14.12 C ATOM 682 OD1 ASN A 42 10.633 -29.090 -25.098 1.00 24.24 O ATOM 683 ND2 ASN A 42 10.836 -31.329 -25.200 1.00 14.02 N ATOM 0 H ASN A 42 7.912 -29.145 -21.244 1.00 14.02 H new ATOM 0 HA ASN A 42 9.228 -28.392 -22.913 1.00 2.31 H new ATOM 0 HB2 ASN A 42 9.677 -30.829 -22.763 1.00 15.40 H new ATOM 0 HB3 ASN A 42 8.485 -31.118 -24.015 1.00 15.40 H new ATOM 0 HD21 ASN A 42 11.565 -31.277 -25.911 1.00 14.02 H new ATOM 0 HD22 ASN A 42 10.522 -32.237 -24.856 1.00 14.02 H new ATOM 690 N GLY A 43 7.230 -27.221 -24.167 1.00 1.33 N ATOM 691 CA GLY A 43 6.553 -26.425 -25.179 1.00 52.03 C ATOM 692 C GLY A 43 5.053 -26.721 -25.271 1.00 2.04 C ATOM 693 O GLY A 43 4.284 -25.803 -25.555 1.00 41.44 O ATOM 0 H GLY A 43 7.269 -26.772 -23.252 1.00 1.33 H new ATOM 0 HA2 GLY A 43 6.696 -25.368 -24.957 1.00 52.03 H new ATOM 0 HA3 GLY A 43 7.014 -26.612 -26.149 1.00 52.03 H new ATOM 697 N GLU A 44 4.625 -27.975 -25.053 1.00 20.41 N ATOM 698 CA GLU A 44 3.229 -28.367 -25.203 1.00 74.24 C ATOM 699 C GLU A 44 2.376 -27.672 -24.144 1.00 75.42 C ATOM 700 O GLU A 44 2.602 -27.875 -22.953 1.00 3.40 O ATOM 701 CB GLU A 44 3.069 -29.886 -25.061 1.00 1.43 C ATOM 702 CG GLU A 44 3.867 -30.689 -26.093 1.00 2.04 C ATOM 703 CD GLU A 44 3.608 -32.186 -25.930 1.00 34.33 C ATOM 704 OE1 GLU A 44 3.178 -32.803 -26.929 1.00 73.32 O ATOM 705 OE2 GLU A 44 3.836 -32.687 -24.808 1.00 44.24 O ATOM 0 H GLU A 44 5.240 -28.737 -24.769 1.00 20.41 H new ATOM 0 HA GLU A 44 2.899 -28.069 -26.198 1.00 74.24 H new ATOM 0 HB2 GLU A 44 3.383 -30.183 -24.061 1.00 1.43 H new ATOM 0 HB3 GLU A 44 2.013 -30.141 -25.153 1.00 1.43 H new ATOM 0 HG2 GLU A 44 3.590 -30.374 -27.099 1.00 2.04 H new ATOM 0 HG3 GLU A 44 4.931 -30.484 -25.977 1.00 2.04 H new ATOM 712 N ARG A 45 1.387 -26.877 -24.574 1.00 14.00 N ATOM 713 CA ARG A 45 0.426 -26.264 -23.669 1.00 4.43 C ATOM 714 C ARG A 45 -0.458 -27.350 -23.066 1.00 64.55 C ATOM 715 O ARG A 45 -1.151 -28.064 -23.791 1.00 31.21 O ATOM 716 CB ARG A 45 -0.402 -25.191 -24.387 1.00 32.43 C ATOM 717 CG ARG A 45 0.400 -23.889 -24.469 1.00 73.14 C ATOM 718 CD ARG A 45 -0.397 -22.802 -25.195 1.00 20.52 C ATOM 719 NE ARG A 45 0.252 -21.489 -25.073 1.00 52.31 N ATOM 720 CZ ARG A 45 1.355 -21.097 -25.732 1.00 71.41 C ATOM 721 NH1 ARG A 45 1.958 -21.905 -26.617 1.00 5.21 N ATOM 722 NH2 ARG A 45 1.860 -19.877 -25.500 1.00 34.42 N ATOM 0 H ARG A 45 1.237 -26.646 -25.556 1.00 14.00 H new ATOM 0 HA ARG A 45 0.959 -25.760 -22.863 1.00 4.43 H new ATOM 0 HB2 ARG A 45 -0.665 -25.531 -25.389 1.00 32.43 H new ATOM 0 HB3 ARG A 45 -1.336 -25.021 -23.852 1.00 32.43 H new ATOM 0 HG2 ARG A 45 0.654 -23.550 -23.465 1.00 73.14 H new ATOM 0 HG3 ARG A 45 1.339 -24.068 -24.992 1.00 73.14 H new ATOM 0 HD2 ARG A 45 -0.496 -23.064 -26.248 1.00 20.52 H new ATOM 0 HD3 ARG A 45 -1.405 -22.751 -24.783 1.00 20.52 H new ATOM 0 HE ARG A 45 -0.172 -20.817 -24.433 1.00 52.31 H new ATOM 0 HH11 ARG A 45 1.580 -22.835 -26.799 1.00 5.21 H new ATOM 0 HH12 ARG A 45 2.795 -21.590 -27.108 1.00 5.21 H new ATOM 0 HH21 ARG A 45 1.407 -19.257 -24.829 1.00 34.42 H new ATOM 0 HH22 ARG A 45 2.697 -19.569 -25.995 1.00 34.42 H new ATOM 736 N ILE A 46 -0.401 -27.483 -21.735 1.00 24.12 N ATOM 737 CA ILE A 46 -1.081 -28.538 -21.005 1.00 74.12 C ATOM 738 C ILE A 46 -2.587 -28.285 -21.037 1.00 23.33 C ATOM 739 O ILE A 46 -3.043 -27.180 -20.748 1.00 41.05 O ATOM 740 CB ILE A 46 -0.535 -28.634 -19.569 1.00 62.25 C ATOM 741 CG1 ILE A 46 0.990 -28.832 -19.623 1.00 11.01 C ATOM 742 CG2 ILE A 46 -1.218 -29.784 -18.814 1.00 33.54 C ATOM 743 CD1 ILE A 46 1.610 -29.283 -18.299 1.00 41.23 C ATOM 0 H ILE A 46 0.127 -26.849 -21.136 1.00 24.12 H new ATOM 0 HA ILE A 46 -0.892 -29.501 -21.480 1.00 74.12 H new ATOM 0 HB ILE A 46 -0.752 -27.712 -19.030 1.00 62.25 H new ATOM 0 HG12 ILE A 46 1.223 -29.570 -20.391 1.00 11.01 H new ATOM 0 HG13 ILE A 46 1.456 -27.896 -19.930 1.00 11.01 H new ATOM 0 HG21 ILE A 46 -0.822 -29.840 -17.800 1.00 33.54 H new ATOM 0 HG22 ILE A 46 -2.293 -29.606 -18.774 1.00 33.54 H new ATOM 0 HG23 ILE A 46 -1.025 -30.724 -19.331 1.00 33.54 H new ATOM 0 HD11 ILE A 46 2.687 -29.399 -18.422 1.00 41.23 H new ATOM 0 HD12 ILE A 46 1.411 -28.535 -17.531 1.00 41.23 H new ATOM 0 HD13 ILE A 46 1.174 -30.236 -17.999 1.00 41.23 H new ATOM 755 N GLU A 47 -3.345 -29.325 -21.399 1.00 51.52 N ATOM 756 CA GLU A 47 -4.793 -29.288 -21.483 1.00 5.11 C ATOM 757 C GLU A 47 -5.396 -29.446 -20.087 1.00 5.44 C ATOM 758 O GLU A 47 -6.103 -28.558 -19.611 1.00 11.01 O ATOM 759 CB GLU A 47 -5.258 -30.400 -22.433 1.00 4.14 C ATOM 760 CG GLU A 47 -6.774 -30.374 -22.644 1.00 20.13 C ATOM 761 CD GLU A 47 -7.208 -31.510 -23.563 1.00 52.52 C ATOM 762 OE1 GLU A 47 -7.673 -32.537 -23.021 1.00 44.43 O ATOM 763 OE2 GLU A 47 -7.054 -31.337 -24.792 1.00 22.34 O ATOM 0 H GLU A 47 -2.951 -30.233 -21.646 1.00 51.52 H new ATOM 0 HA GLU A 47 -5.130 -28.330 -21.878 1.00 5.11 H new ATOM 0 HB2 GLU A 47 -4.756 -30.290 -23.394 1.00 4.14 H new ATOM 0 HB3 GLU A 47 -4.964 -31.369 -22.029 1.00 4.14 H new ATOM 0 HG2 GLU A 47 -7.282 -30.462 -21.683 1.00 20.13 H new ATOM 0 HG3 GLU A 47 -7.070 -29.417 -23.075 1.00 20.13 H new ATOM 770 N LYS A 48 -5.130 -30.593 -19.450 1.00 31.21 N ATOM 771 CA LYS A 48 -5.785 -31.021 -18.222 1.00 33.11 C ATOM 772 C LYS A 48 -5.033 -30.481 -17.007 1.00 45.53 C ATOM 773 O LYS A 48 -4.423 -31.238 -16.253 1.00 4.51 O ATOM 774 CB LYS A 48 -5.888 -32.552 -18.208 1.00 11.40 C ATOM 775 CG LYS A 48 -6.716 -33.062 -19.394 1.00 20.10 C ATOM 776 CD LYS A 48 -6.803 -34.589 -19.360 1.00 5.41 C ATOM 777 CE LYS A 48 -7.588 -35.102 -20.570 1.00 60.55 C ATOM 778 NZ LYS A 48 -7.745 -36.564 -20.520 1.00 23.13 N ATOM 0 H LYS A 48 -4.436 -31.260 -19.787 1.00 31.21 H new ATOM 0 HA LYS A 48 -6.796 -30.616 -18.177 1.00 33.11 H new ATOM 0 HB2 LYS A 48 -4.889 -32.987 -18.244 1.00 11.40 H new ATOM 0 HB3 LYS A 48 -6.345 -32.880 -17.274 1.00 11.40 H new ATOM 0 HG2 LYS A 48 -7.717 -32.633 -19.359 1.00 20.10 H new ATOM 0 HG3 LYS A 48 -6.262 -32.737 -20.330 1.00 20.10 H new ATOM 0 HD2 LYS A 48 -5.801 -35.017 -19.360 1.00 5.41 H new ATOM 0 HD3 LYS A 48 -7.288 -34.912 -18.439 1.00 5.41 H new ATOM 0 HE2 LYS A 48 -8.570 -34.629 -20.598 1.00 60.55 H new ATOM 0 HE3 LYS A 48 -7.072 -34.820 -21.488 1.00 60.55 H new ATOM 0 HZ1 LYS A 48 -8.281 -36.884 -21.352 1.00 23.13 H new ATOM 0 HZ2 LYS A 48 -6.807 -37.014 -20.518 1.00 23.13 H new ATOM 0 HZ3 LYS A 48 -8.258 -36.829 -19.655 1.00 23.13 H new ATOM 792 N VAL A 49 -5.095 -29.158 -16.823 1.00 40.04 N ATOM 793 CA VAL A 49 -4.507 -28.469 -15.687 1.00 54.05 C ATOM 794 C VAL A 49 -5.555 -28.406 -14.578 1.00 73.25 C ATOM 795 O VAL A 49 -6.620 -27.819 -14.767 1.00 44.22 O ATOM 796 CB VAL A 49 -4.070 -27.056 -16.092 1.00 34.42 C ATOM 797 CG1 VAL A 49 -3.392 -26.353 -14.912 1.00 74.54 C ATOM 798 CG2 VAL A 49 -3.106 -27.077 -17.285 1.00 12.34 C ATOM 0 H VAL A 49 -5.566 -28.531 -17.476 1.00 40.04 H new ATOM 0 HA VAL A 49 -3.624 -29.004 -15.337 1.00 54.05 H new ATOM 0 HB VAL A 49 -4.968 -26.512 -16.385 1.00 34.42 H new ATOM 0 HG11 VAL A 49 -3.086 -25.351 -15.212 1.00 74.54 H new ATOM 0 HG12 VAL A 49 -4.091 -26.285 -14.079 1.00 74.54 H new ATOM 0 HG13 VAL A 49 -2.515 -26.923 -14.604 1.00 74.54 H new ATOM 0 HG21 VAL A 49 -2.821 -26.056 -17.540 1.00 12.34 H new ATOM 0 HG22 VAL A 49 -2.215 -27.648 -17.023 1.00 12.34 H new ATOM 0 HG23 VAL A 49 -3.596 -27.541 -18.141 1.00 12.34 H new ATOM 808 N GLU A 50 -5.234 -28.995 -13.423 1.00 4.44 N ATOM 809 CA GLU A 50 -6.095 -29.016 -12.251 1.00 13.43 C ATOM 810 C GLU A 50 -5.475 -28.123 -11.184 1.00 24.14 C ATOM 811 O GLU A 50 -4.293 -28.264 -10.876 1.00 65.12 O ATOM 812 CB GLU A 50 -6.246 -30.445 -11.733 1.00 13.14 C ATOM 813 CG GLU A 50 -6.892 -31.374 -12.766 1.00 14.31 C ATOM 814 CD GLU A 50 -6.956 -32.802 -12.236 1.00 12.32 C ATOM 815 OE1 GLU A 50 -7.948 -33.109 -11.539 1.00 42.51 O ATOM 816 OE2 GLU A 50 -6.005 -33.559 -12.526 1.00 33.11 O ATOM 0 H GLU A 50 -4.348 -29.479 -13.280 1.00 4.44 H new ATOM 0 HA GLU A 50 -7.088 -28.647 -12.509 1.00 13.43 H new ATOM 0 HB2 GLU A 50 -5.266 -30.835 -11.460 1.00 13.14 H new ATOM 0 HB3 GLU A 50 -6.850 -30.438 -10.826 1.00 13.14 H new ATOM 0 HG2 GLU A 50 -7.896 -31.022 -13.002 1.00 14.31 H new ATOM 0 HG3 GLU A 50 -6.320 -31.350 -13.693 1.00 14.31 H new ATOM 823 N HIS A 51 -6.271 -27.191 -10.650 1.00 33.34 N ATOM 824 CA HIS A 51 -5.797 -26.116 -9.795 1.00 25.24 C ATOM 825 C HIS A 51 -6.904 -25.664 -8.844 1.00 74.34 C ATOM 826 O HIS A 51 -8.084 -25.719 -9.188 1.00 33.24 O ATOM 827 CB HIS A 51 -5.285 -24.968 -10.667 1.00 24.43 C ATOM 828 CG HIS A 51 -6.301 -24.474 -11.665 1.00 51.02 C ATOM 829 ND1 HIS A 51 -6.431 -25.025 -12.932 1.00 14.00 N ATOM 830 CD2 HIS A 51 -7.288 -23.523 -11.582 1.00 23.34 C ATOM 831 CE1 HIS A 51 -7.443 -24.386 -13.543 1.00 40.44 C ATOM 832 NE2 HIS A 51 -8.010 -23.457 -12.771 1.00 32.34 N ATOM 0 H HIS A 51 -7.279 -27.169 -10.807 1.00 33.34 H new ATOM 0 HA HIS A 51 -4.971 -26.469 -9.177 1.00 25.24 H new ATOM 0 HB2 HIS A 51 -4.985 -24.140 -10.025 1.00 24.43 H new ATOM 0 HB3 HIS A 51 -4.393 -25.297 -11.200 1.00 24.43 H new ATOM 0 HD2 HIS A 51 -7.478 -22.910 -10.713 1.00 23.34 H new ATOM 0 HE1 HIS A 51 -7.763 -24.601 -14.552 1.00 40.44 H new ATOM 0 HE2 HIS A 51 -8.791 -22.842 -12.999 1.00 32.34 H new ATOM 840 N SER A 52 -6.512 -25.232 -7.639 1.00 61.42 N ATOM 841 CA SER A 52 -7.437 -24.842 -6.584 1.00 23.14 C ATOM 842 C SER A 52 -8.096 -23.497 -6.903 1.00 73.32 C ATOM 843 O SER A 52 -7.541 -22.688 -7.646 1.00 44.13 O ATOM 844 CB SER A 52 -6.690 -24.799 -5.247 1.00 12.33 C ATOM 845 OG SER A 52 -7.597 -24.669 -4.174 1.00 22.41 O ATOM 0 H SER A 52 -5.531 -25.145 -7.373 1.00 61.42 H new ATOM 0 HA SER A 52 -8.237 -25.579 -6.515 1.00 23.14 H new ATOM 0 HB2 SER A 52 -6.101 -25.708 -5.124 1.00 12.33 H new ATOM 0 HB3 SER A 52 -5.991 -23.963 -5.242 1.00 12.33 H new ATOM 0 HG SER A 52 -7.123 -24.805 -3.327 1.00 22.41 H new ATOM 851 N ASP A 53 -9.286 -23.272 -6.331 1.00 14.11 N ATOM 852 CA ASP A 53 -10.093 -22.078 -6.557 1.00 41.32 C ATOM 853 C ASP A 53 -9.665 -20.964 -5.596 1.00 60.13 C ATOM 854 O ASP A 53 -10.426 -20.566 -4.715 1.00 63.34 O ATOM 855 CB ASP A 53 -11.582 -22.438 -6.430 1.00 41.01 C ATOM 856 CG ASP A 53 -12.495 -21.265 -6.786 1.00 55.21 C ATOM 857 OD1 ASP A 53 -12.395 -20.793 -7.939 1.00 33.24 O ATOM 858 OD2 ASP A 53 -13.282 -20.863 -5.901 1.00 45.52 O ATOM 0 H ASP A 53 -9.719 -23.932 -5.685 1.00 14.11 H new ATOM 0 HA ASP A 53 -9.934 -21.698 -7.566 1.00 41.32 H new ATOM 0 HB2 ASP A 53 -11.807 -23.281 -7.083 1.00 41.01 H new ATOM 0 HB3 ASP A 53 -11.790 -22.761 -5.410 1.00 41.01 H new ATOM 863 N LEU A 54 -8.436 -20.463 -5.784 1.00 74.34 N ATOM 864 CA LEU A 54 -7.860 -19.342 -5.052 1.00 24.54 C ATOM 865 C LEU A 54 -7.985 -19.540 -3.535 1.00 12.21 C ATOM 866 O LEU A 54 -8.722 -18.821 -2.863 1.00 22.12 O ATOM 867 CB LEU A 54 -8.502 -18.029 -5.531 1.00 44.43 C ATOM 868 CG LEU A 54 -7.665 -16.820 -5.087 1.00 74.12 C ATOM 869 CD1 LEU A 54 -6.617 -16.467 -6.148 1.00 42.44 C ATOM 870 CD2 LEU A 54 -8.566 -15.605 -4.852 1.00 32.31 C ATOM 0 H LEU A 54 -7.796 -20.848 -6.479 1.00 74.34 H new ATOM 0 HA LEU A 54 -6.791 -19.289 -5.261 1.00 24.54 H new ATOM 0 HB2 LEU A 54 -8.590 -18.037 -6.617 1.00 44.43 H new ATOM 0 HB3 LEU A 54 -9.512 -17.945 -5.130 1.00 44.43 H new ATOM 0 HG LEU A 54 -7.160 -17.086 -4.158 1.00 74.12 H new ATOM 0 HD11 LEU A 54 -6.035 -15.608 -5.813 1.00 42.44 H new ATOM 0 HD12 LEU A 54 -5.953 -17.318 -6.301 1.00 42.44 H new ATOM 0 HD13 LEU A 54 -7.116 -16.224 -7.086 1.00 42.44 H new ATOM 0 HD21 LEU A 54 -7.958 -14.757 -4.538 1.00 32.31 H new ATOM 0 HD22 LEU A 54 -9.088 -15.355 -5.776 1.00 32.31 H new ATOM 0 HD23 LEU A 54 -9.294 -15.837 -4.075 1.00 32.31 H new ATOM 882 N SER A 55 -7.267 -20.534 -3.002 1.00 0.03 N ATOM 883 CA SER A 55 -7.380 -20.946 -1.608 1.00 12.43 C ATOM 884 C SER A 55 -6.476 -20.077 -0.734 1.00 53.55 C ATOM 885 O SER A 55 -5.343 -19.796 -1.111 1.00 20.50 O ATOM 886 CB SER A 55 -7.043 -22.432 -1.472 1.00 60.31 C ATOM 887 OG SER A 55 -7.287 -22.859 -0.150 1.00 41.53 O ATOM 0 H SER A 55 -6.587 -21.077 -3.534 1.00 0.03 H new ATOM 0 HA SER A 55 -8.406 -20.807 -1.267 1.00 12.43 H new ATOM 0 HB2 SER A 55 -7.644 -23.016 -2.169 1.00 60.31 H new ATOM 0 HB3 SER A 55 -5.998 -22.602 -1.732 1.00 60.31 H new ATOM 0 HG SER A 55 -6.434 -23.030 0.301 1.00 41.53 H new ATOM 893 N PHE A 56 -6.993 -19.635 0.417 1.00 52.42 N ATOM 894 CA PHE A 56 -6.375 -18.623 1.264 1.00 33.35 C ATOM 895 C PHE A 56 -5.650 -19.284 2.438 1.00 73.24 C ATOM 896 O PHE A 56 -6.291 -19.962 3.239 1.00 44.21 O ATOM 897 CB PHE A 56 -7.471 -17.685 1.784 1.00 4.10 C ATOM 898 CG PHE A 56 -8.329 -17.046 0.708 1.00 23.44 C ATOM 899 CD1 PHE A 56 -7.988 -15.785 0.187 1.00 42.14 C ATOM 900 CD2 PHE A 56 -9.482 -17.706 0.240 1.00 22.42 C ATOM 901 CE1 PHE A 56 -8.784 -15.197 -0.812 1.00 32.10 C ATOM 902 CE2 PHE A 56 -10.278 -17.116 -0.757 1.00 24.31 C ATOM 903 CZ PHE A 56 -9.928 -15.862 -1.283 1.00 31.12 C ATOM 0 H PHE A 56 -7.876 -19.983 0.790 1.00 52.42 H new ATOM 0 HA PHE A 56 -5.644 -18.057 0.687 1.00 33.35 H new ATOM 0 HB2 PHE A 56 -8.118 -18.245 2.459 1.00 4.10 H new ATOM 0 HB3 PHE A 56 -7.004 -16.895 2.372 1.00 4.10 H new ATOM 0 HD1 PHE A 56 -7.114 -15.268 0.554 1.00 42.14 H new ATOM 0 HD2 PHE A 56 -9.755 -18.668 0.648 1.00 22.42 H new ATOM 0 HE1 PHE A 56 -8.515 -14.233 -1.218 1.00 32.10 H new ATOM 0 HE2 PHE A 56 -11.158 -17.627 -1.118 1.00 24.31 H new ATOM 0 HZ PHE A 56 -10.539 -15.409 -2.050 1.00 31.12 H new ATOM 913 N SER A 57 -4.331 -19.074 2.565 1.00 52.02 N ATOM 914 CA SER A 57 -3.577 -19.569 3.715 1.00 54.13 C ATOM 915 C SER A 57 -3.994 -18.807 4.975 1.00 1.34 C ATOM 916 O SER A 57 -4.278 -19.423 6.000 1.00 65.32 O ATOM 917 CB SER A 57 -2.061 -19.473 3.490 1.00 4.44 C ATOM 918 OG SER A 57 -1.661 -20.199 2.348 1.00 72.13 O ATOM 0 H SER A 57 -3.769 -18.564 1.883 1.00 52.02 H new ATOM 0 HA SER A 57 -3.811 -20.626 3.844 1.00 54.13 H new ATOM 0 HB2 SER A 57 -1.774 -18.427 3.377 1.00 4.44 H new ATOM 0 HB3 SER A 57 -1.537 -19.854 4.367 1.00 4.44 H new ATOM 0 HG SER A 57 -2.414 -20.735 2.021 1.00 72.13 H new ATOM 924 N LYS A 58 -4.045 -17.471 4.888 1.00 23.23 N ATOM 925 CA LYS A 58 -4.499 -16.594 5.958 1.00 0.50 C ATOM 926 C LYS A 58 -5.078 -15.293 5.386 1.00 32.12 C ATOM 927 O LYS A 58 -4.657 -14.201 5.764 1.00 21.11 O ATOM 928 CB LYS A 58 -3.372 -16.356 6.978 1.00 24.20 C ATOM 929 CG LYS A 58 -2.062 -15.848 6.358 1.00 11.12 C ATOM 930 CD LYS A 58 -1.075 -15.488 7.474 1.00 74.15 C ATOM 931 CE LYS A 58 0.226 -14.930 6.892 1.00 15.25 C ATOM 932 NZ LYS A 58 1.181 -14.579 7.957 1.00 23.40 N ATOM 0 H LYS A 58 -3.763 -16.965 4.048 1.00 23.23 H new ATOM 0 HA LYS A 58 -5.310 -17.081 6.499 1.00 0.50 H new ATOM 0 HB2 LYS A 58 -3.714 -15.634 7.720 1.00 24.20 H new ATOM 0 HB3 LYS A 58 -3.173 -17.288 7.508 1.00 24.20 H new ATOM 0 HG2 LYS A 58 -1.633 -16.613 5.711 1.00 11.12 H new ATOM 0 HG3 LYS A 58 -2.257 -14.975 5.734 1.00 11.12 H new ATOM 0 HD2 LYS A 58 -1.525 -14.752 8.140 1.00 74.15 H new ATOM 0 HD3 LYS A 58 -0.860 -16.372 8.074 1.00 74.15 H new ATOM 0 HE2 LYS A 58 0.675 -15.667 6.226 1.00 15.25 H new ATOM 0 HE3 LYS A 58 0.009 -14.048 6.290 1.00 15.25 H new ATOM 0 HZ1 LYS A 58 2.053 -14.204 7.532 1.00 23.40 H new ATOM 0 HZ2 LYS A 58 0.760 -13.858 8.577 1.00 23.40 H new ATOM 0 HZ3 LYS A 58 1.406 -15.427 8.515 1.00 23.40 H new ATOM 946 N ASP A 59 -6.076 -15.422 4.499 1.00 34.13 N ATOM 947 CA ASP A 59 -6.899 -14.326 3.990 1.00 4.54 C ATOM 948 C ASP A 59 -6.044 -13.205 3.391 1.00 43.43 C ATOM 949 O ASP A 59 -6.025 -12.087 3.903 1.00 5.42 O ATOM 950 CB ASP A 59 -7.847 -13.824 5.090 1.00 14.14 C ATOM 951 CG ASP A 59 -8.723 -14.953 5.629 1.00 23.54 C ATOM 952 OD1 ASP A 59 -8.341 -15.518 6.678 1.00 15.43 O ATOM 953 OD2 ASP A 59 -9.751 -15.237 4.977 1.00 40.11 O ATOM 0 H ASP A 59 -6.338 -16.326 4.106 1.00 34.13 H new ATOM 0 HA ASP A 59 -7.512 -14.702 3.171 1.00 4.54 H new ATOM 0 HB2 ASP A 59 -7.265 -13.392 5.905 1.00 14.14 H new ATOM 0 HB3 ASP A 59 -8.479 -13.029 4.693 1.00 14.14 H new ATOM 958 N GLY A 60 -5.329 -13.525 2.305 1.00 14.33 N ATOM 959 CA GLY A 60 -4.390 -12.635 1.637 1.00 12.23 C ATOM 960 C GLY A 60 -3.071 -13.375 1.452 1.00 15.42 C ATOM 961 O GLY A 60 -2.043 -12.959 1.984 1.00 0.03 O ATOM 0 H GLY A 60 -5.395 -14.440 1.859 1.00 14.33 H new ATOM 0 HA2 GLY A 60 -4.787 -12.321 0.672 1.00 12.23 H new ATOM 0 HA3 GLY A 60 -4.238 -11.732 2.228 1.00 12.23 H new ATOM 965 N SER A 61 -3.129 -14.493 0.718 1.00 60.44 N ATOM 966 CA SER A 61 -2.043 -15.449 0.548 1.00 20.55 C ATOM 967 C SER A 61 -2.587 -16.626 -0.259 1.00 73.11 C ATOM 968 O SER A 61 -3.004 -17.635 0.308 1.00 40.35 O ATOM 969 CB SER A 61 -1.505 -15.921 1.907 1.00 32.11 C ATOM 970 OG SER A 61 -2.572 -16.135 2.806 1.00 23.22 O ATOM 0 H SER A 61 -3.971 -14.761 0.208 1.00 60.44 H new ATOM 0 HA SER A 61 -1.210 -14.981 0.023 1.00 20.55 H new ATOM 0 HB2 SER A 61 -0.936 -16.842 1.781 1.00 32.11 H new ATOM 0 HB3 SER A 61 -0.821 -15.176 2.314 1.00 32.11 H new ATOM 0 HG SER A 61 -2.385 -15.675 3.651 1.00 23.22 H new ATOM 976 N PHE A 62 -2.620 -16.472 -1.586 1.00 35.20 N ATOM 977 CA PHE A 62 -3.400 -17.342 -2.450 1.00 71.23 C ATOM 978 C PHE A 62 -2.555 -18.536 -2.891 1.00 1.21 C ATOM 979 O PHE A 62 -1.715 -18.397 -3.776 1.00 42.01 O ATOM 980 CB PHE A 62 -3.946 -16.543 -3.641 1.00 60.33 C ATOM 981 CG PHE A 62 -4.497 -15.170 -3.290 1.00 51.21 C ATOM 982 CD1 PHE A 62 -5.322 -14.997 -2.162 1.00 64.12 C ATOM 983 CD2 PHE A 62 -4.065 -14.042 -4.013 1.00 43.31 C ATOM 984 CE1 PHE A 62 -5.650 -13.702 -1.722 1.00 11.11 C ATOM 985 CE2 PHE A 62 -4.395 -12.749 -3.573 1.00 1.01 C ATOM 986 CZ PHE A 62 -5.176 -12.579 -2.418 1.00 71.15 C ATOM 0 H PHE A 62 -2.108 -15.743 -2.082 1.00 35.20 H new ATOM 0 HA PHE A 62 -4.256 -17.736 -1.902 1.00 71.23 H new ATOM 0 HB2 PHE A 62 -3.149 -16.422 -4.375 1.00 60.33 H new ATOM 0 HB3 PHE A 62 -4.735 -17.124 -4.119 1.00 60.33 H new ATOM 0 HD1 PHE A 62 -5.703 -15.859 -1.635 1.00 64.12 H new ATOM 0 HD2 PHE A 62 -3.477 -14.171 -4.910 1.00 43.31 H new ATOM 0 HE1 PHE A 62 -6.268 -13.571 -0.846 1.00 11.11 H new ATOM 0 HE2 PHE A 62 -4.048 -11.886 -4.123 1.00 1.01 H new ATOM 0 HZ PHE A 62 -5.411 -11.586 -2.066 1.00 71.15 H new ATOM 996 N TYR A 63 -2.762 -19.700 -2.260 1.00 33.55 N ATOM 997 CA TYR A 63 -2.019 -20.912 -2.563 1.00 4.13 C ATOM 998 C TYR A 63 -2.788 -21.827 -3.509 1.00 12.31 C ATOM 999 O TYR A 63 -3.776 -22.450 -3.126 1.00 33.53 O ATOM 1000 CB TYR A 63 -1.557 -21.618 -1.282 1.00 52.23 C ATOM 1001 CG TYR A 63 -2.613 -22.370 -0.491 1.00 74.41 C ATOM 1002 CD1 TYR A 63 -3.451 -21.695 0.413 1.00 13.12 C ATOM 1003 CD2 TYR A 63 -2.771 -23.755 -0.682 1.00 64.14 C ATOM 1004 CE1 TYR A 63 -4.385 -22.415 1.178 1.00 63.31 C ATOM 1005 CE2 TYR A 63 -3.728 -24.470 0.055 1.00 1.12 C ATOM 1006 CZ TYR A 63 -4.528 -23.801 0.996 1.00 1.21 C ATOM 1007 OH TYR A 63 -5.451 -24.493 1.726 1.00 32.22 O ATOM 0 H TYR A 63 -3.456 -19.819 -1.522 1.00 33.55 H new ATOM 0 HA TYR A 63 -1.114 -20.625 -3.099 1.00 4.13 H new ATOM 0 HB2 TYR A 63 -0.768 -22.321 -1.548 1.00 52.23 H new ATOM 0 HB3 TYR A 63 -1.110 -20.871 -0.626 1.00 52.23 H new ATOM 0 HD1 TYR A 63 -3.377 -20.623 0.520 1.00 13.12 H new ATOM 0 HD2 TYR A 63 -2.152 -24.271 -1.401 1.00 64.14 H new ATOM 0 HE1 TYR A 63 -4.994 -21.902 1.907 1.00 63.31 H new ATOM 0 HE2 TYR A 63 -3.849 -25.532 -0.101 1.00 1.12 H new ATOM 0 HH TYR A 63 -5.421 -25.440 1.477 1.00 32.22 H new ATOM 1017 N LEU A 64 -2.315 -21.906 -4.756 1.00 54.22 N ATOM 1018 CA LEU A 64 -2.826 -22.846 -5.740 1.00 3.00 C ATOM 1019 C LEU A 64 -1.870 -24.032 -5.852 1.00 63.53 C ATOM 1020 O LEU A 64 -0.722 -23.959 -5.417 1.00 4.25 O ATOM 1021 CB LEU A 64 -3.032 -22.156 -7.094 1.00 2.51 C ATOM 1022 CG LEU A 64 -4.264 -21.230 -7.091 1.00 20.32 C ATOM 1023 CD1 LEU A 64 -3.960 -19.873 -6.452 1.00 21.24 C ATOM 1024 CD2 LEU A 64 -4.734 -20.986 -8.526 1.00 21.33 C ATOM 0 H LEU A 64 -1.563 -21.313 -5.107 1.00 54.22 H new ATOM 0 HA LEU A 64 -3.799 -23.216 -5.418 1.00 3.00 H new ATOM 0 HB2 LEU A 64 -2.144 -21.576 -7.344 1.00 2.51 H new ATOM 0 HB3 LEU A 64 -3.148 -22.911 -7.871 1.00 2.51 H new ATOM 0 HG LEU A 64 -5.037 -21.728 -6.506 1.00 20.32 H new ATOM 0 HD11 LEU A 64 -4.856 -19.253 -6.471 1.00 21.24 H new ATOM 0 HD12 LEU A 64 -3.643 -20.020 -5.420 1.00 21.24 H new ATOM 0 HD13 LEU A 64 -3.164 -19.378 -7.009 1.00 21.24 H new ATOM 0 HD21 LEU A 64 -5.605 -20.331 -8.517 1.00 21.33 H new ATOM 0 HD22 LEU A 64 -3.933 -20.517 -9.096 1.00 21.33 H new ATOM 0 HD23 LEU A 64 -5.000 -21.937 -8.988 1.00 21.33 H new ATOM 1036 N LEU A 65 -2.373 -25.125 -6.432 1.00 15.02 N ATOM 1037 CA LEU A 65 -1.665 -26.378 -6.628 1.00 54.02 C ATOM 1038 C LEU A 65 -1.933 -26.806 -8.068 1.00 72.24 C ATOM 1039 O LEU A 65 -2.942 -27.449 -8.333 1.00 52.14 O ATOM 1040 CB LEU A 65 -2.202 -27.404 -5.615 1.00 11.11 C ATOM 1041 CG LEU A 65 -1.533 -28.787 -5.719 1.00 62.55 C ATOM 1042 CD1 LEU A 65 -0.145 -28.786 -5.073 1.00 31.50 C ATOM 1043 CD2 LEU A 65 -2.407 -29.847 -5.038 1.00 63.34 C ATOM 0 H LEU A 65 -3.327 -25.155 -6.791 1.00 15.02 H new ATOM 0 HA LEU A 65 -0.590 -26.288 -6.468 1.00 54.02 H new ATOM 0 HB2 LEU A 65 -2.058 -27.016 -4.607 1.00 11.11 H new ATOM 0 HB3 LEU A 65 -3.276 -27.518 -5.762 1.00 11.11 H new ATOM 0 HG LEU A 65 -1.422 -29.022 -6.778 1.00 62.55 H new ATOM 0 HD11 LEU A 65 0.299 -29.777 -5.164 1.00 31.50 H new ATOM 0 HD12 LEU A 65 0.490 -28.056 -5.576 1.00 31.50 H new ATOM 0 HD13 LEU A 65 -0.235 -28.524 -4.019 1.00 31.50 H new ATOM 0 HD21 LEU A 65 -1.925 -30.821 -5.117 1.00 63.34 H new ATOM 0 HD22 LEU A 65 -2.537 -29.591 -3.987 1.00 63.34 H new ATOM 0 HD23 LEU A 65 -3.381 -29.883 -5.526 1.00 63.34 H new ATOM 1055 N TYR A 66 -1.058 -26.430 -9.005 1.00 43.11 N ATOM 1056 CA TYR A 66 -1.239 -26.740 -10.416 1.00 71.51 C ATOM 1057 C TYR A 66 -0.659 -28.128 -10.710 1.00 3.42 C ATOM 1058 O TYR A 66 0.501 -28.235 -11.109 1.00 72.13 O ATOM 1059 CB TYR A 66 -0.588 -25.645 -11.269 1.00 25.32 C ATOM 1060 CG TYR A 66 -1.312 -24.312 -11.242 1.00 13.54 C ATOM 1061 CD1 TYR A 66 -2.289 -24.040 -12.215 1.00 42.25 C ATOM 1062 CD2 TYR A 66 -0.988 -23.327 -10.289 1.00 60.42 C ATOM 1063 CE1 TYR A 66 -2.917 -22.786 -12.261 1.00 40.21 C ATOM 1064 CE2 TYR A 66 -1.613 -22.068 -10.340 1.00 43.52 C ATOM 1065 CZ TYR A 66 -2.551 -21.784 -11.350 1.00 43.05 C ATOM 1066 OH TYR A 66 -3.093 -20.537 -11.464 1.00 1.11 O ATOM 0 H TYR A 66 -0.208 -25.904 -8.802 1.00 43.11 H new ATOM 0 HA TYR A 66 -2.299 -26.765 -10.669 1.00 71.51 H new ATOM 0 HB2 TYR A 66 0.436 -25.495 -10.926 1.00 25.32 H new ATOM 0 HB3 TYR A 66 -0.530 -25.992 -12.301 1.00 25.32 H new ATOM 0 HD1 TYR A 66 -2.558 -24.801 -12.932 1.00 42.25 H new ATOM 0 HD2 TYR A 66 -0.260 -23.538 -9.520 1.00 60.42 H new ATOM 0 HE1 TYR A 66 -3.682 -22.592 -12.998 1.00 40.21 H new ATOM 0 HE2 TYR A 66 -1.372 -21.317 -9.602 1.00 43.52 H new ATOM 0 HH TYR A 66 -3.991 -20.605 -11.851 1.00 1.11 H new ATOM 1076 N TYR A 67 -1.463 -29.182 -10.492 1.00 1.02 N ATOM 1077 CA TYR A 67 -1.024 -30.571 -10.587 1.00 33.35 C ATOM 1078 C TYR A 67 -1.441 -31.204 -11.918 1.00 0.30 C ATOM 1079 O TYR A 67 -2.582 -31.633 -12.078 1.00 45.22 O ATOM 1080 CB TYR A 67 -1.469 -31.374 -9.351 1.00 2.42 C ATOM 1081 CG TYR A 67 -2.961 -31.612 -9.154 1.00 72.54 C ATOM 1082 CD1 TYR A 67 -3.542 -32.833 -9.547 1.00 43.23 C ATOM 1083 CD2 TYR A 67 -3.751 -30.663 -8.482 1.00 60.33 C ATOM 1084 CE1 TYR A 67 -4.920 -33.050 -9.382 1.00 25.21 C ATOM 1085 CE2 TYR A 67 -5.130 -30.875 -8.317 1.00 24.34 C ATOM 1086 CZ TYR A 67 -5.721 -32.058 -8.790 1.00 52.14 C ATOM 1087 OH TYR A 67 -7.069 -32.241 -8.673 1.00 35.12 O ATOM 0 H TYR A 67 -2.447 -29.085 -10.242 1.00 1.02 H new ATOM 0 HA TYR A 67 0.066 -30.592 -10.586 1.00 33.35 H new ATOM 0 HB2 TYR A 67 -0.978 -32.346 -9.389 1.00 2.42 H new ATOM 0 HB3 TYR A 67 -1.093 -30.861 -8.466 1.00 2.42 H new ATOM 0 HD1 TYR A 67 -2.924 -33.607 -9.978 1.00 43.23 H new ATOM 0 HD2 TYR A 67 -3.295 -29.766 -8.090 1.00 60.33 H new ATOM 0 HE1 TYR A 67 -5.364 -33.978 -9.710 1.00 25.21 H new ATOM 0 HE2 TYR A 67 -5.736 -30.128 -7.826 1.00 24.34 H new ATOM 0 HH TYR A 67 -7.440 -32.503 -9.541 1.00 35.12 H new ATOM 1097 N THR A 68 -0.506 -31.269 -12.875 1.00 74.52 N ATOM 1098 CA THR A 68 -0.708 -31.942 -14.155 1.00 65.22 C ATOM 1099 C THR A 68 -0.163 -33.367 -14.080 1.00 63.41 C ATOM 1100 O THR A 68 0.819 -33.604 -13.381 1.00 24.32 O ATOM 1101 CB THR A 68 -0.021 -31.169 -15.290 1.00 21.10 C ATOM 1102 OG1 THR A 68 -0.237 -31.878 -16.494 1.00 43.44 O ATOM 1103 CG2 THR A 68 1.487 -30.998 -15.076 1.00 40.43 C ATOM 0 H THR A 68 0.419 -30.850 -12.777 1.00 74.52 H new ATOM 0 HA THR A 68 -1.777 -31.978 -14.366 1.00 65.22 H new ATOM 0 HB THR A 68 -0.451 -30.168 -15.321 1.00 21.10 H new ATOM 0 HG1 THR A 68 0.626 -32.136 -16.881 1.00 43.44 H new ATOM 0 HG21 THR A 68 1.913 -30.444 -15.913 1.00 40.43 H new ATOM 0 HG22 THR A 68 1.663 -30.450 -14.150 1.00 40.43 H new ATOM 0 HG23 THR A 68 1.959 -31.978 -15.013 1.00 40.43 H new ATOM 1111 N GLU A 69 -0.761 -34.295 -14.838 1.00 74.12 N ATOM 1112 CA GLU A 69 -0.261 -35.656 -14.976 1.00 1.40 C ATOM 1113 C GLU A 69 0.842 -35.690 -16.040 1.00 44.14 C ATOM 1114 O GLU A 69 0.589 -36.033 -17.195 1.00 62.15 O ATOM 1115 CB GLU A 69 -1.420 -36.602 -15.315 1.00 40.54 C ATOM 1116 CG GLU A 69 -0.966 -38.065 -15.224 1.00 3.22 C ATOM 1117 CD GLU A 69 -2.129 -39.021 -15.465 1.00 60.32 C ATOM 1118 OE1 GLU A 69 -2.608 -39.601 -14.466 1.00 44.55 O ATOM 1119 OE2 GLU A 69 -2.518 -39.155 -16.646 1.00 61.44 O ATOM 0 H GLU A 69 -1.610 -34.115 -15.373 1.00 74.12 H new ATOM 0 HA GLU A 69 0.174 -35.995 -14.036 1.00 1.40 H new ATOM 0 HB2 GLU A 69 -2.250 -36.430 -14.630 1.00 40.54 H new ATOM 0 HB3 GLU A 69 -1.787 -36.391 -16.319 1.00 40.54 H new ATOM 0 HG2 GLU A 69 -0.181 -38.251 -15.957 1.00 3.22 H new ATOM 0 HG3 GLU A 69 -0.535 -38.254 -14.241 1.00 3.22 H new ATOM 1126 N PHE A 70 2.071 -35.333 -15.646 1.00 60.33 N ATOM 1127 CA PHE A 70 3.237 -35.374 -16.520 1.00 64.34 C ATOM 1128 C PHE A 70 3.896 -36.752 -16.487 1.00 11.44 C ATOM 1129 O PHE A 70 3.926 -37.407 -15.449 1.00 1.12 O ATOM 1130 CB PHE A 70 4.240 -34.270 -16.149 1.00 64.24 C ATOM 1131 CG PHE A 70 5.254 -34.588 -15.058 1.00 25.22 C ATOM 1132 CD1 PHE A 70 6.620 -34.336 -15.283 1.00 23.13 C ATOM 1133 CD2 PHE A 70 4.841 -35.031 -13.787 1.00 42.31 C ATOM 1134 CE1 PHE A 70 7.543 -34.424 -14.230 1.00 62.44 C ATOM 1135 CE2 PHE A 70 5.777 -35.190 -12.749 1.00 3.42 C ATOM 1136 CZ PHE A 70 7.122 -34.853 -12.961 1.00 4.40 C ATOM 0 H PHE A 70 2.280 -35.006 -14.703 1.00 60.33 H new ATOM 0 HA PHE A 70 2.901 -35.190 -17.540 1.00 64.34 H new ATOM 0 HB2 PHE A 70 4.788 -33.995 -17.050 1.00 64.24 H new ATOM 0 HB3 PHE A 70 3.675 -33.391 -15.839 1.00 64.24 H new ATOM 0 HD1 PHE A 70 6.960 -34.073 -16.274 1.00 23.13 H new ATOM 0 HD2 PHE A 70 3.799 -35.250 -13.608 1.00 42.31 H new ATOM 0 HE1 PHE A 70 8.578 -34.162 -14.396 1.00 62.44 H new ATOM 0 HE2 PHE A 70 5.460 -35.571 -11.789 1.00 3.42 H new ATOM 0 HZ PHE A 70 7.832 -34.923 -12.150 1.00 4.40 H new ATOM 1146 N THR A 71 4.452 -37.179 -17.623 1.00 75.24 N ATOM 1147 CA THR A 71 5.284 -38.369 -17.696 1.00 75.42 C ATOM 1148 C THR A 71 6.744 -37.909 -17.653 1.00 64.32 C ATOM 1149 O THR A 71 7.261 -37.562 -18.710 1.00 15.12 O ATOM 1150 CB THR A 71 4.971 -39.127 -18.999 1.00 62.52 C ATOM 1151 OG1 THR A 71 3.584 -39.383 -19.082 1.00 65.13 O ATOM 1152 CG2 THR A 71 5.716 -40.468 -19.050 1.00 43.01 C ATOM 0 H THR A 71 4.334 -36.704 -18.518 1.00 75.24 H new ATOM 0 HA THR A 71 5.092 -39.047 -16.865 1.00 75.42 H new ATOM 0 HB THR A 71 5.295 -38.505 -19.833 1.00 62.52 H new ATOM 0 HG1 THR A 71 3.389 -39.864 -19.913 1.00 65.13 H new ATOM 0 HG21 THR A 71 5.477 -40.982 -19.981 1.00 43.01 H new ATOM 0 HG22 THR A 71 6.790 -40.290 -19.000 1.00 43.01 H new ATOM 0 HG23 THR A 71 5.411 -41.086 -18.205 1.00 43.01 H new ATOM 1160 N PRO A 72 7.429 -37.874 -16.494 1.00 3.01 N ATOM 1161 CA PRO A 72 8.854 -37.570 -16.429 1.00 72.32 C ATOM 1162 C PRO A 72 9.654 -38.546 -17.295 1.00 14.44 C ATOM 1163 O PRO A 72 9.918 -39.679 -16.892 1.00 3.02 O ATOM 1164 CB PRO A 72 9.248 -37.638 -14.950 1.00 24.32 C ATOM 1165 CG PRO A 72 8.140 -38.475 -14.320 1.00 15.25 C ATOM 1166 CD PRO A 72 6.922 -38.073 -15.149 1.00 11.41 C ATOM 0 HA PRO A 72 9.074 -36.578 -16.824 1.00 72.32 H new ATOM 0 HB2 PRO A 72 10.225 -38.102 -14.817 1.00 24.32 H new ATOM 0 HB3 PRO A 72 9.303 -36.645 -14.504 1.00 24.32 H new ATOM 0 HG2 PRO A 72 8.346 -39.543 -14.391 1.00 15.25 H new ATOM 0 HG3 PRO A 72 8.007 -38.245 -13.263 1.00 15.25 H new ATOM 0 HD2 PRO A 72 6.157 -38.849 -15.127 1.00 11.41 H new ATOM 0 HD3 PRO A 72 6.464 -37.163 -14.762 1.00 11.41 H new ATOM 1174 N THR A 73 10.013 -38.081 -18.497 1.00 34.54 N ATOM 1175 CA THR A 73 10.753 -38.817 -19.507 1.00 14.34 C ATOM 1176 C THR A 73 12.123 -38.158 -19.664 1.00 72.34 C ATOM 1177 O THR A 73 12.282 -36.964 -19.406 1.00 14.13 O ATOM 1178 CB THR A 73 9.963 -38.810 -20.826 1.00 33.40 C ATOM 1179 OG1 THR A 73 8.654 -39.291 -20.599 1.00 13.20 O ATOM 1180 CG2 THR A 73 10.608 -39.688 -21.903 1.00 2.01 C ATOM 0 H THR A 73 9.780 -37.135 -18.798 1.00 34.54 H new ATOM 0 HA THR A 73 10.893 -39.858 -19.214 1.00 14.34 H new ATOM 0 HB THR A 73 9.954 -37.779 -21.180 1.00 33.40 H new ATOM 0 HG1 THR A 73 8.159 -38.646 -20.052 1.00 13.20 H new ATOM 0 HG21 THR A 73 10.009 -39.646 -22.813 1.00 2.01 H new ATOM 0 HG22 THR A 73 11.614 -39.325 -22.114 1.00 2.01 H new ATOM 0 HG23 THR A 73 10.660 -40.718 -21.550 1.00 2.01 H new ATOM 1188 N GLU A 74 13.110 -38.953 -20.083 1.00 11.23 N ATOM 1189 CA GLU A 74 14.488 -38.519 -20.229 1.00 75.33 C ATOM 1190 C GLU A 74 14.609 -37.517 -21.382 1.00 51.04 C ATOM 1191 O GLU A 74 13.913 -37.648 -22.389 1.00 54.43 O ATOM 1192 CB GLU A 74 15.391 -39.741 -20.453 1.00 5.30 C ATOM 1193 CG GLU A 74 15.250 -40.797 -19.346 1.00 2.32 C ATOM 1194 CD GLU A 74 15.522 -40.222 -17.958 1.00 52.54 C ATOM 1195 OE1 GLU A 74 16.682 -39.817 -17.728 1.00 2.41 O ATOM 1196 OE2 GLU A 74 14.565 -40.198 -17.153 1.00 73.42 O ATOM 0 H GLU A 74 12.965 -39.931 -20.333 1.00 11.23 H new ATOM 0 HA GLU A 74 14.810 -38.016 -19.318 1.00 75.33 H new ATOM 0 HB2 GLU A 74 15.149 -40.194 -21.414 1.00 5.30 H new ATOM 0 HB3 GLU A 74 16.430 -39.414 -20.507 1.00 5.30 H new ATOM 0 HG2 GLU A 74 14.244 -41.216 -19.373 1.00 2.32 H new ATOM 0 HG3 GLU A 74 15.942 -41.617 -19.539 1.00 2.32 H new ATOM 1203 N LYS A 75 15.480 -36.511 -21.209 1.00 22.13 N ATOM 1204 CA LYS A 75 15.750 -35.412 -22.133 1.00 21.33 C ATOM 1205 C LYS A 75 14.670 -34.328 -22.051 1.00 35.31 C ATOM 1206 O LYS A 75 14.998 -33.149 -21.927 1.00 22.41 O ATOM 1207 CB LYS A 75 15.973 -35.907 -23.573 1.00 51.15 C ATOM 1208 CG LYS A 75 16.698 -34.849 -24.416 1.00 32.32 C ATOM 1209 CD LYS A 75 16.652 -35.163 -25.918 1.00 51.13 C ATOM 1210 CE LYS A 75 17.380 -36.461 -26.282 1.00 4.01 C ATOM 1211 NZ LYS A 75 17.392 -36.673 -27.740 1.00 2.44 N ATOM 0 H LYS A 75 16.048 -36.444 -20.364 1.00 22.13 H new ATOM 0 HA LYS A 75 16.687 -34.951 -21.819 1.00 21.33 H new ATOM 0 HB2 LYS A 75 16.557 -36.827 -23.558 1.00 51.15 H new ATOM 0 HB3 LYS A 75 15.013 -36.146 -24.031 1.00 51.15 H new ATOM 0 HG2 LYS A 75 16.245 -33.874 -24.238 1.00 32.32 H new ATOM 0 HG3 LYS A 75 17.737 -34.781 -24.094 1.00 32.32 H new ATOM 0 HD2 LYS A 75 15.612 -35.235 -26.237 1.00 51.13 H new ATOM 0 HD3 LYS A 75 17.098 -34.336 -26.470 1.00 51.13 H new ATOM 0 HE2 LYS A 75 18.403 -36.424 -25.909 1.00 4.01 H new ATOM 0 HE3 LYS A 75 16.892 -37.304 -25.793 1.00 4.01 H new ATOM 0 HZ1 LYS A 75 17.891 -37.559 -27.958 1.00 2.44 H new ATOM 0 HZ2 LYS A 75 16.415 -36.731 -28.090 1.00 2.44 H new ATOM 0 HZ3 LYS A 75 17.879 -35.879 -28.202 1.00 2.44 H new ATOM 1225 N ASP A 76 13.393 -34.726 -22.126 1.00 15.43 N ATOM 1226 CA ASP A 76 12.256 -33.816 -22.095 1.00 3.20 C ATOM 1227 C ASP A 76 12.241 -33.071 -20.758 1.00 42.03 C ATOM 1228 O ASP A 76 12.376 -33.699 -19.708 1.00 14.44 O ATOM 1229 CB ASP A 76 10.962 -34.606 -22.323 1.00 14.32 C ATOM 1230 CG ASP A 76 9.784 -33.679 -22.610 1.00 35.13 C ATOM 1231 OD1 ASP A 76 9.300 -33.048 -21.646 1.00 40.51 O ATOM 1232 OD2 ASP A 76 9.395 -33.610 -23.796 1.00 12.34 O ATOM 0 H ASP A 76 13.124 -35.706 -22.211 1.00 15.43 H new ATOM 0 HA ASP A 76 12.339 -33.076 -22.891 1.00 3.20 H new ATOM 0 HB2 ASP A 76 11.097 -35.294 -23.158 1.00 14.32 H new ATOM 0 HB3 ASP A 76 10.744 -35.211 -21.443 1.00 14.32 H new ATOM 1237 N GLU A 77 12.134 -31.735 -20.809 1.00 72.42 N ATOM 1238 CA GLU A 77 12.341 -30.862 -19.664 1.00 33.21 C ATOM 1239 C GLU A 77 11.049 -30.119 -19.341 1.00 73.12 C ATOM 1240 O GLU A 77 10.478 -29.431 -20.186 1.00 44.14 O ATOM 1241 CB GLU A 77 13.549 -29.929 -19.863 1.00 1.13 C ATOM 1242 CG GLU A 77 13.547 -29.046 -21.120 1.00 42.02 C ATOM 1243 CD GLU A 77 13.859 -29.829 -22.392 1.00 3.11 C ATOM 1244 OE1 GLU A 77 12.894 -30.159 -23.114 1.00 11.02 O ATOM 1245 OE2 GLU A 77 15.061 -30.084 -22.622 1.00 0.21 O ATOM 0 H GLU A 77 11.897 -31.232 -21.664 1.00 72.42 H new ATOM 0 HA GLU A 77 12.593 -31.470 -18.795 1.00 33.21 H new ATOM 0 HB2 GLU A 77 13.622 -29.278 -18.992 1.00 1.13 H new ATOM 0 HB3 GLU A 77 14.451 -30.541 -19.880 1.00 1.13 H new ATOM 0 HG2 GLU A 77 12.572 -28.569 -21.222 1.00 42.02 H new ATOM 0 HG3 GLU A 77 14.281 -28.249 -21.000 1.00 42.02 H new ATOM 1252 N TYR A 78 10.587 -30.301 -18.101 1.00 22.32 N ATOM 1253 CA TYR A 78 9.328 -29.785 -17.601 1.00 32.15 C ATOM 1254 C TYR A 78 9.591 -28.505 -16.824 1.00 35.21 C ATOM 1255 O TYR A 78 10.509 -28.458 -16.006 1.00 5.14 O ATOM 1256 CB TYR A 78 8.687 -30.853 -16.712 1.00 63.35 C ATOM 1257 CG TYR A 78 8.410 -32.132 -17.471 1.00 2.40 C ATOM 1258 CD1 TYR A 78 7.252 -32.217 -18.261 1.00 25.14 C ATOM 1259 CD2 TYR A 78 9.385 -33.145 -17.548 1.00 41.11 C ATOM 1260 CE1 TYR A 78 7.059 -33.311 -19.118 1.00 43.41 C ATOM 1261 CE2 TYR A 78 9.208 -34.222 -18.432 1.00 51.04 C ATOM 1262 CZ TYR A 78 8.061 -34.290 -19.239 1.00 32.24 C ATOM 1263 OH TYR A 78 7.934 -35.287 -20.161 1.00 1.24 O ATOM 0 H TYR A 78 11.104 -30.832 -17.400 1.00 22.32 H new ATOM 0 HA TYR A 78 8.646 -29.553 -18.419 1.00 32.15 H new ATOM 0 HB2 TYR A 78 9.346 -31.067 -15.870 1.00 63.35 H new ATOM 0 HB3 TYR A 78 7.755 -30.468 -16.298 1.00 63.35 H new ATOM 0 HD1 TYR A 78 6.507 -31.437 -18.209 1.00 25.14 H new ATOM 0 HD2 TYR A 78 10.268 -33.094 -16.928 1.00 41.11 H new ATOM 0 HE1 TYR A 78 6.143 -33.401 -19.683 1.00 43.41 H new ATOM 0 HE2 TYR A 78 9.956 -34.999 -18.491 1.00 51.04 H new ATOM 0 HH TYR A 78 7.681 -36.119 -19.710 1.00 1.24 H new ATOM 1273 N ALA A 79 8.791 -27.465 -17.088 1.00 2.01 N ATOM 1274 CA ALA A 79 8.950 -26.179 -16.438 1.00 1.12 C ATOM 1275 C ALA A 79 7.604 -25.477 -16.298 1.00 72.23 C ATOM 1276 O ALA A 79 6.817 -25.427 -17.244 1.00 20.35 O ATOM 1277 CB ALA A 79 9.952 -25.319 -17.212 1.00 54.32 C ATOM 0 H ALA A 79 8.022 -27.501 -17.757 1.00 2.01 H new ATOM 0 HA ALA A 79 9.344 -26.337 -15.434 1.00 1.12 H new ATOM 0 HB1 ALA A 79 10.064 -24.355 -16.715 1.00 54.32 H new ATOM 0 HB2 ALA A 79 10.917 -25.825 -17.244 1.00 54.32 H new ATOM 0 HB3 ALA A 79 9.589 -25.164 -18.228 1.00 54.32 H new ATOM 1283 N CYS A 80 7.361 -24.930 -15.102 1.00 54.33 N ATOM 1284 CA CYS A 80 6.172 -24.160 -14.784 1.00 34.10 C ATOM 1285 C CYS A 80 6.440 -22.706 -15.176 1.00 62.34 C ATOM 1286 O CYS A 80 7.407 -22.113 -14.705 1.00 1.13 O ATOM 1287 CB CYS A 80 5.853 -24.330 -13.295 1.00 60.43 C ATOM 1288 SG CYS A 80 4.244 -23.686 -12.785 1.00 62.43 S ATOM 0 H CYS A 80 8.005 -25.017 -14.316 1.00 54.33 H new ATOM 0 HA CYS A 80 5.298 -24.504 -15.336 1.00 34.10 H new ATOM 0 HB2 CYS A 80 5.899 -25.390 -13.047 1.00 60.43 H new ATOM 0 HB3 CYS A 80 6.629 -23.832 -12.713 1.00 60.43 H new ATOM 1293 N ARG A 81 5.621 -22.163 -16.083 1.00 35.22 N ATOM 1294 CA ARG A 81 5.842 -20.884 -16.741 1.00 54.11 C ATOM 1295 C ARG A 81 5.046 -19.822 -15.989 1.00 64.25 C ATOM 1296 O ARG A 81 3.911 -19.513 -16.352 1.00 4.41 O ATOM 1297 CB ARG A 81 5.422 -21.011 -18.210 1.00 1.30 C ATOM 1298 CG ARG A 81 5.768 -19.755 -19.015 1.00 1.43 C ATOM 1299 CD ARG A 81 5.395 -19.946 -20.488 1.00 55.21 C ATOM 1300 NE ARG A 81 5.691 -18.752 -21.291 1.00 52.01 N ATOM 1301 CZ ARG A 81 4.898 -17.674 -21.417 1.00 4.22 C ATOM 1302 NH1 ARG A 81 3.756 -17.564 -20.725 1.00 52.22 N ATOM 1303 NH2 ARG A 81 5.259 -16.687 -22.249 1.00 24.42 N ATOM 0 H ARG A 81 4.761 -22.621 -16.384 1.00 35.22 H new ATOM 0 HA ARG A 81 6.891 -20.590 -16.727 1.00 54.11 H new ATOM 0 HB2 ARG A 81 5.916 -21.875 -18.655 1.00 1.30 H new ATOM 0 HB3 ARG A 81 4.349 -21.194 -18.266 1.00 1.30 H new ATOM 0 HG2 ARG A 81 5.236 -18.896 -18.607 1.00 1.43 H new ATOM 0 HG3 ARG A 81 6.833 -19.541 -18.928 1.00 1.43 H new ATOM 0 HD2 ARG A 81 5.940 -20.799 -20.892 1.00 55.21 H new ATOM 0 HD3 ARG A 81 4.333 -20.181 -20.565 1.00 55.21 H new ATOM 0 HE ARG A 81 6.576 -18.740 -21.798 1.00 52.01 H new ATOM 0 HH11 ARG A 81 3.473 -18.307 -20.087 1.00 52.22 H new ATOM 0 HH12 ARG A 81 3.170 -16.737 -20.836 1.00 52.22 H new ATOM 0 HH21 ARG A 81 6.128 -16.759 -22.779 1.00 24.42 H new ATOM 0 HH22 ARG A 81 4.665 -15.864 -22.352 1.00 24.42 H new ATOM 1317 N VAL A 82 5.634 -19.300 -14.909 1.00 63.13 N ATOM 1318 CA VAL A 82 4.928 -18.456 -13.962 1.00 41.42 C ATOM 1319 C VAL A 82 5.062 -16.998 -14.404 1.00 22.33 C ATOM 1320 O VAL A 82 6.048 -16.338 -14.083 1.00 3.33 O ATOM 1321 CB VAL A 82 5.443 -18.715 -12.531 1.00 64.13 C ATOM 1322 CG1 VAL A 82 4.608 -17.931 -11.514 1.00 43.03 C ATOM 1323 CG2 VAL A 82 5.353 -20.203 -12.165 1.00 32.50 C ATOM 0 H VAL A 82 6.614 -19.455 -14.673 1.00 63.13 H new ATOM 0 HA VAL A 82 3.865 -18.695 -13.946 1.00 41.42 H new ATOM 0 HB VAL A 82 6.484 -18.393 -12.503 1.00 64.13 H new ATOM 0 HG11 VAL A 82 4.983 -18.124 -10.509 1.00 43.03 H new ATOM 0 HG12 VAL A 82 4.679 -16.865 -11.729 1.00 43.03 H new ATOM 0 HG13 VAL A 82 3.566 -18.245 -11.579 1.00 43.03 H new ATOM 0 HG21 VAL A 82 5.724 -20.351 -11.151 1.00 32.50 H new ATOM 0 HG22 VAL A 82 4.315 -20.530 -12.223 1.00 32.50 H new ATOM 0 HG23 VAL A 82 5.957 -20.786 -12.861 1.00 32.50 H new ATOM 1333 N ASN A 83 4.052 -16.501 -15.129 1.00 65.34 N ATOM 1334 CA ASN A 83 3.876 -15.083 -15.414 1.00 12.11 C ATOM 1335 C ASN A 83 2.942 -14.497 -14.357 1.00 34.44 C ATOM 1336 O ASN A 83 2.028 -15.171 -13.886 1.00 52.45 O ATOM 1337 CB ASN A 83 3.304 -14.879 -16.822 1.00 54.01 C ATOM 1338 CG ASN A 83 4.315 -15.242 -17.901 1.00 34.11 C ATOM 1339 OD1 ASN A 83 4.565 -16.421 -18.139 1.00 13.52 O ATOM 1340 ND2 ASN A 83 4.898 -14.234 -18.555 1.00 0.44 N ATOM 0 H ASN A 83 3.325 -17.088 -15.538 1.00 65.34 H new ATOM 0 HA ASN A 83 4.839 -14.574 -15.380 1.00 12.11 H new ATOM 0 HB2 ASN A 83 2.409 -15.489 -16.943 1.00 54.01 H new ATOM 0 HB3 ASN A 83 3.000 -13.839 -16.944 1.00 54.01 H new ATOM 0 HD21 ASN A 83 5.582 -14.428 -19.286 1.00 0.44 H new ATOM 0 HD22 ASN A 83 4.659 -13.270 -18.323 1.00 0.44 H new ATOM 1347 N HIS A 84 3.194 -13.242 -13.976 1.00 0.00 N ATOM 1348 CA HIS A 84 2.466 -12.517 -12.947 1.00 0.00 C ATOM 1349 C HIS A 84 2.711 -11.025 -13.171 1.00 0.00 C ATOM 1350 O HIS A 84 3.689 -10.658 -13.819 1.00 0.00 O ATOM 1351 CB HIS A 84 2.956 -12.973 -11.565 1.00 0.00 C ATOM 1352 CG HIS A 84 2.210 -12.371 -10.401 1.00 0.00 C ATOM 1353 ND1 HIS A 84 2.884 -11.919 -9.269 1.00 0.00 N ATOM 1354 CD2 HIS A 84 0.865 -12.172 -10.218 1.00 0.00 C ATOM 1355 CE1 HIS A 84 1.928 -11.462 -8.459 1.00 0.00 C ATOM 1356 NE2 HIS A 84 0.698 -11.591 -8.980 1.00 0.00 N ATOM 0 H HIS A 84 3.940 -12.687 -14.395 1.00 0.00 H new ATOM 0 HA HIS A 84 1.395 -12.714 -12.997 1.00 0.00 H new ATOM 0 HB2 HIS A 84 2.877 -14.059 -11.507 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.013 -12.724 -11.469 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.081 -12.425 -10.916 1.00 0.00 H new ATOM 0 HE1 HIS A 84 2.123 -11.034 -7.487 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -0.183 -11.315 -8.547 1.00 0.00 H new ATOM 1364 N VAL A 85 1.824 -10.162 -12.656 1.00 1.10 N ATOM 1365 CA VAL A 85 1.894 -8.725 -12.898 1.00 45.12 C ATOM 1366 C VAL A 85 3.187 -8.113 -12.347 1.00 42.23 C ATOM 1367 O VAL A 85 3.726 -7.184 -12.945 1.00 23.23 O ATOM 1368 CB VAL A 85 0.631 -8.027 -12.359 1.00 0.23 C ATOM 1369 CG1 VAL A 85 0.646 -7.868 -10.834 1.00 13.51 C ATOM 1370 CG2 VAL A 85 0.454 -6.651 -13.014 1.00 3.11 C ATOM 0 H VAL A 85 1.043 -10.445 -12.063 1.00 1.10 H new ATOM 0 HA VAL A 85 1.924 -8.562 -13.975 1.00 45.12 H new ATOM 0 HB VAL A 85 -0.210 -8.671 -12.615 1.00 0.23 H new ATOM 0 HG11 VAL A 85 -0.268 -7.370 -10.511 1.00 13.51 H new ATOM 0 HG12 VAL A 85 0.709 -8.851 -10.366 1.00 13.51 H new ATOM 0 HG13 VAL A 85 1.508 -7.270 -10.539 1.00 13.51 H new ATOM 0 HG21 VAL A 85 -0.443 -6.173 -12.621 1.00 3.11 H new ATOM 0 HG22 VAL A 85 1.322 -6.029 -12.794 1.00 3.11 H new ATOM 0 HG23 VAL A 85 0.358 -6.771 -14.093 1.00 3.11 H new ATOM 1380 N THR A 86 3.689 -8.638 -11.221 1.00 71.14 N ATOM 1381 CA THR A 86 4.936 -8.189 -10.616 1.00 64.21 C ATOM 1382 C THR A 86 6.129 -8.525 -11.516 1.00 74.22 C ATOM 1383 O THR A 86 7.081 -7.750 -11.588 1.00 73.15 O ATOM 1384 CB THR A 86 5.106 -8.787 -9.212 1.00 75.35 C ATOM 1385 OG1 THR A 86 5.213 -10.194 -9.270 1.00 42.21 O ATOM 1386 CG2 THR A 86 3.943 -8.392 -8.296 1.00 11.00 C ATOM 0 H THR A 86 3.233 -9.391 -10.706 1.00 71.14 H new ATOM 0 HA THR A 86 4.896 -7.105 -10.511 1.00 64.21 H new ATOM 0 HB THR A 86 6.029 -8.381 -8.797 1.00 75.35 H new ATOM 0 HG1 THR A 86 4.317 -10.591 -9.258 1.00 42.21 H new ATOM 0 HG21 THR A 86 4.092 -8.830 -7.309 1.00 11.00 H new ATOM 0 HG22 THR A 86 3.902 -7.306 -8.208 1.00 11.00 H new ATOM 0 HG23 THR A 86 3.007 -8.758 -8.718 1.00 11.00 H new ATOM 1394 N LEU A 87 6.064 -9.668 -12.212 1.00 15.01 N ATOM 1395 CA LEU A 87 7.055 -10.074 -13.196 1.00 44.31 C ATOM 1396 C LEU A 87 6.749 -9.408 -14.542 1.00 42.13 C ATOM 1397 O LEU A 87 5.687 -8.817 -14.728 1.00 62.14 O ATOM 1398 CB LEU A 87 7.054 -11.605 -13.331 1.00 53.15 C ATOM 1399 CG LEU A 87 7.152 -12.352 -11.987 1.00 44.14 C ATOM 1400 CD1 LEU A 87 6.996 -13.855 -12.237 1.00 33.20 C ATOM 1401 CD2 LEU A 87 8.480 -12.076 -11.272 1.00 1.34 C ATOM 0 H LEU A 87 5.306 -10.341 -12.099 1.00 15.01 H new ATOM 0 HA LEU A 87 8.046 -9.757 -12.871 1.00 44.31 H new ATOM 0 HB2 LEU A 87 6.142 -11.914 -13.841 1.00 53.15 H new ATOM 0 HB3 LEU A 87 7.890 -11.904 -13.963 1.00 53.15 H new ATOM 0 HG LEU A 87 6.354 -11.991 -11.338 1.00 44.14 H new ATOM 0 HD11 LEU A 87 7.064 -14.390 -11.290 1.00 33.20 H new ATOM 0 HD12 LEU A 87 6.026 -14.049 -12.694 1.00 33.20 H new ATOM 0 HD13 LEU A 87 7.787 -14.197 -12.905 1.00 33.20 H new ATOM 0 HD21 LEU A 87 8.506 -12.622 -10.329 1.00 1.34 H new ATOM 0 HD22 LEU A 87 9.307 -12.401 -11.903 1.00 1.34 H new ATOM 0 HD23 LEU A 87 8.572 -11.008 -11.075 1.00 1.34 H new ATOM 1413 N SER A 88 7.693 -9.519 -15.481 1.00 4.45 N ATOM 1414 CA SER A 88 7.551 -9.069 -16.861 1.00 3.41 C ATOM 1415 C SER A 88 7.820 -10.248 -17.793 1.00 14.34 C ATOM 1416 O SER A 88 7.058 -10.491 -18.727 1.00 4.41 O ATOM 1417 CB SER A 88 8.522 -7.911 -17.121 1.00 20.44 C ATOM 1418 OG SER A 88 8.419 -7.477 -18.461 1.00 55.52 O ATOM 0 H SER A 88 8.604 -9.938 -15.292 1.00 4.45 H new ATOM 0 HA SER A 88 6.540 -8.706 -17.046 1.00 3.41 H new ATOM 0 HB2 SER A 88 8.302 -7.084 -16.446 1.00 20.44 H new ATOM 0 HB3 SER A 88 9.543 -8.230 -16.912 1.00 20.44 H new ATOM 0 HG SER A 88 9.043 -6.737 -18.614 1.00 55.52 H new ATOM 1424 N GLN A 89 8.908 -10.977 -17.523 1.00 23.22 N ATOM 1425 CA GLN A 89 9.338 -12.131 -18.294 1.00 74.25 C ATOM 1426 C GLN A 89 8.684 -13.398 -17.731 1.00 25.25 C ATOM 1427 O GLN A 89 8.402 -13.457 -16.534 1.00 74.24 O ATOM 1428 CB GLN A 89 10.866 -12.243 -18.211 1.00 4.42 C ATOM 1429 CG GLN A 89 11.555 -11.020 -18.830 1.00 23.20 C ATOM 1430 CD GLN A 89 13.078 -11.136 -18.780 1.00 34.21 C ATOM 1431 OE1 GLN A 89 13.632 -11.764 -17.879 1.00 42.22 O ATOM 1432 NE2 GLN A 89 13.762 -10.526 -19.751 1.00 14.04 N ATOM 0 H GLN A 89 9.526 -10.768 -16.739 1.00 23.22 H new ATOM 0 HA GLN A 89 9.039 -12.016 -19.336 1.00 74.25 H new ATOM 0 HB2 GLN A 89 11.168 -12.343 -17.169 1.00 4.42 H new ATOM 0 HB3 GLN A 89 11.194 -13.146 -18.726 1.00 4.42 H new ATOM 0 HG2 GLN A 89 11.234 -10.908 -19.865 1.00 23.20 H new ATOM 0 HG3 GLN A 89 11.242 -10.120 -18.300 1.00 23.20 H new ATOM 0 HE21 GLN A 89 13.266 -10.015 -20.481 1.00 14.04 H new ATOM 0 HE22 GLN A 89 14.781 -10.571 -19.763 1.00 14.04 H new ATOM 1441 N PRO A 90 8.460 -14.426 -18.567 1.00 32.42 N ATOM 1442 CA PRO A 90 7.975 -15.721 -18.120 1.00 12.32 C ATOM 1443 C PRO A 90 9.048 -16.409 -17.278 1.00 72.14 C ATOM 1444 O PRO A 90 10.154 -16.645 -17.762 1.00 41.13 O ATOM 1445 CB PRO A 90 7.669 -16.501 -19.400 1.00 24.13 C ATOM 1446 CG PRO A 90 8.608 -15.892 -20.438 1.00 41.14 C ATOM 1447 CD PRO A 90 8.693 -14.430 -20.004 1.00 34.41 C ATOM 0 HA PRO A 90 7.088 -15.648 -17.491 1.00 12.32 H new ATOM 0 HB2 PRO A 90 7.854 -17.567 -19.271 1.00 24.13 H new ATOM 0 HB3 PRO A 90 6.625 -16.392 -19.694 1.00 24.13 H new ATOM 0 HG2 PRO A 90 9.586 -16.373 -20.430 1.00 41.14 H new ATOM 0 HG3 PRO A 90 8.212 -15.991 -21.449 1.00 41.14 H new ATOM 0 HD2 PRO A 90 9.669 -14.008 -20.243 1.00 34.41 H new ATOM 0 HD3 PRO A 90 7.949 -13.825 -20.522 1.00 34.41 H new ATOM 1455 N LYS A 91 8.721 -16.723 -16.018 1.00 74.25 N ATOM 1456 CA LYS A 91 9.637 -17.402 -15.119 1.00 12.12 C ATOM 1457 C LYS A 91 9.604 -18.891 -15.455 1.00 33.45 C ATOM 1458 O LYS A 91 8.639 -19.573 -15.121 1.00 71.11 O ATOM 1459 CB LYS A 91 9.226 -17.136 -13.665 1.00 63.22 C ATOM 1460 CG LYS A 91 10.200 -17.728 -12.638 1.00 75.31 C ATOM 1461 CD LYS A 91 11.489 -16.909 -12.528 1.00 73.11 C ATOM 1462 CE LYS A 91 12.379 -17.469 -11.415 1.00 4.25 C ATOM 1463 NZ LYS A 91 13.601 -16.664 -11.251 1.00 22.11 N ATOM 0 H LYS A 91 7.814 -16.510 -15.602 1.00 74.25 H new ATOM 0 HA LYS A 91 10.655 -17.032 -15.239 1.00 12.12 H new ATOM 0 HB2 LYS A 91 9.153 -16.060 -13.507 1.00 63.22 H new ATOM 0 HB3 LYS A 91 8.233 -17.551 -13.494 1.00 63.22 H new ATOM 0 HG2 LYS A 91 9.715 -17.773 -11.663 1.00 75.31 H new ATOM 0 HG3 LYS A 91 10.445 -18.752 -12.919 1.00 75.31 H new ATOM 0 HD2 LYS A 91 12.024 -16.931 -13.477 1.00 73.11 H new ATOM 0 HD3 LYS A 91 11.249 -15.866 -12.321 1.00 73.11 H new ATOM 0 HE2 LYS A 91 11.824 -17.487 -10.477 1.00 4.25 H new ATOM 0 HE3 LYS A 91 12.648 -18.500 -11.646 1.00 4.25 H new ATOM 0 HZ1 LYS A 91 14.183 -17.068 -10.490 1.00 22.11 H new ATOM 0 HZ2 LYS A 91 14.141 -16.668 -12.140 1.00 22.11 H new ATOM 0 HZ3 LYS A 91 13.343 -15.687 -11.007 1.00 22.11 H new ATOM 1477 N ILE A 92 10.656 -19.384 -16.119 1.00 33.11 N ATOM 1478 CA ILE A 92 10.795 -20.785 -16.487 1.00 51.11 C ATOM 1479 C ILE A 92 11.325 -21.534 -15.262 1.00 4.44 C ATOM 1480 O ILE A 92 12.532 -21.727 -15.119 1.00 41.44 O ATOM 1481 CB ILE A 92 11.711 -20.911 -17.722 1.00 5.40 C ATOM 1482 CG1 ILE A 92 11.285 -19.995 -18.887 1.00 42.13 C ATOM 1483 CG2 ILE A 92 11.794 -22.368 -18.200 1.00 2.44 C ATOM 1484 CD1 ILE A 92 9.838 -20.188 -19.355 1.00 73.42 C ATOM 0 H ILE A 92 11.442 -18.807 -16.417 1.00 33.11 H new ATOM 0 HA ILE A 92 9.841 -21.228 -16.773 1.00 51.11 H new ATOM 0 HB ILE A 92 12.698 -20.581 -17.400 1.00 5.40 H new ATOM 0 HG12 ILE A 92 11.419 -18.957 -18.583 1.00 42.13 H new ATOM 0 HG13 ILE A 92 11.952 -20.169 -19.731 1.00 42.13 H new ATOM 0 HG21 ILE A 92 12.446 -22.428 -19.072 1.00 2.44 H new ATOM 0 HG22 ILE A 92 12.197 -22.991 -17.401 1.00 2.44 H new ATOM 0 HG23 ILE A 92 10.798 -22.721 -18.467 1.00 2.44 H new ATOM 0 HD11 ILE A 92 9.627 -19.503 -20.176 1.00 73.42 H new ATOM 0 HD12 ILE A 92 9.699 -21.215 -19.694 1.00 73.42 H new ATOM 0 HD13 ILE A 92 9.158 -19.984 -18.528 1.00 73.42 H new ATOM 1496 N VAL A 93 10.414 -21.922 -14.360 1.00 42.34 N ATOM 1497 CA VAL A 93 10.762 -22.569 -13.104 1.00 11.42 C ATOM 1498 C VAL A 93 11.222 -23.991 -13.397 1.00 40.21 C ATOM 1499 O VAL A 93 10.481 -24.766 -13.995 1.00 43.44 O ATOM 1500 CB VAL A 93 9.571 -22.581 -12.134 1.00 55.02 C ATOM 1501 CG1 VAL A 93 10.015 -23.155 -10.786 1.00 21.30 C ATOM 1502 CG2 VAL A 93 9.002 -21.181 -11.893 1.00 24.53 C ATOM 0 H VAL A 93 9.411 -21.792 -14.489 1.00 42.34 H new ATOM 0 HA VAL A 93 11.565 -22.009 -12.626 1.00 11.42 H new ATOM 0 HB VAL A 93 8.794 -23.195 -12.590 1.00 55.02 H new ATOM 0 HG11 VAL A 93 9.170 -23.163 -10.098 1.00 21.30 H new ATOM 0 HG12 VAL A 93 10.379 -24.173 -10.926 1.00 21.30 H new ATOM 0 HG13 VAL A 93 10.813 -22.538 -10.373 1.00 21.30 H new ATOM 0 HG21 VAL A 93 8.162 -21.244 -11.201 1.00 24.53 H new ATOM 0 HG22 VAL A 93 9.776 -20.542 -11.468 1.00 24.53 H new ATOM 0 HG23 VAL A 93 8.662 -20.759 -12.839 1.00 24.53 H new ATOM 1512 N LYS A 94 12.446 -24.323 -12.979 1.00 43.11 N ATOM 1513 CA LYS A 94 13.073 -25.596 -13.280 1.00 51.01 C ATOM 1514 C LYS A 94 12.660 -26.623 -12.229 1.00 63.22 C ATOM 1515 O LYS A 94 13.203 -26.623 -11.125 1.00 44.12 O ATOM 1516 CB LYS A 94 14.597 -25.426 -13.341 1.00 3.02 C ATOM 1517 CG LYS A 94 14.993 -24.502 -14.502 1.00 42.44 C ATOM 1518 CD LYS A 94 16.507 -24.271 -14.581 1.00 14.24 C ATOM 1519 CE LYS A 94 17.279 -25.539 -14.965 1.00 60.12 C ATOM 1520 NZ LYS A 94 18.719 -25.265 -15.101 1.00 22.53 N ATOM 0 H LYS A 94 13.029 -23.703 -12.417 1.00 43.11 H new ATOM 0 HA LYS A 94 12.743 -25.955 -14.255 1.00 51.01 H new ATOM 0 HB2 LYS A 94 14.960 -25.012 -12.400 1.00 3.02 H new ATOM 0 HB3 LYS A 94 15.072 -26.399 -13.466 1.00 3.02 H new ATOM 0 HG2 LYS A 94 14.646 -24.934 -15.440 1.00 42.44 H new ATOM 0 HG3 LYS A 94 14.488 -23.543 -14.387 1.00 42.44 H new ATOM 0 HD2 LYS A 94 16.714 -23.489 -15.312 1.00 14.24 H new ATOM 0 HD3 LYS A 94 16.866 -23.909 -13.617 1.00 14.24 H new ATOM 0 HE2 LYS A 94 17.122 -26.307 -14.207 1.00 60.12 H new ATOM 0 HE3 LYS A 94 16.891 -25.934 -15.904 1.00 60.12 H new ATOM 0 HZ1 LYS A 94 19.216 -26.141 -15.361 1.00 22.53 H new ATOM 0 HZ2 LYS A 94 18.868 -24.549 -15.841 1.00 22.53 H new ATOM 0 HZ3 LYS A 94 19.092 -24.911 -14.197 1.00 22.53 H new ATOM 1534 N TRP A 95 11.710 -27.495 -12.593 1.00 5.00 N ATOM 1535 CA TRP A 95 11.322 -28.671 -11.825 1.00 24.50 C ATOM 1536 C TRP A 95 12.564 -29.431 -11.358 1.00 52.13 C ATOM 1537 O TRP A 95 13.300 -29.983 -12.176 1.00 0.12 O ATOM 1538 CB TRP A 95 10.455 -29.591 -12.693 1.00 22.22 C ATOM 1539 CG TRP A 95 10.247 -30.970 -12.139 1.00 42.44 C ATOM 1540 CD1 TRP A 95 9.771 -31.274 -10.912 1.00 4.11 C ATOM 1541 CD2 TRP A 95 10.619 -32.243 -12.741 1.00 64.24 C ATOM 1542 NE1 TRP A 95 9.839 -32.635 -10.701 1.00 22.21 N ATOM 1543 CE2 TRP A 95 10.369 -33.283 -11.800 1.00 71.21 C ATOM 1544 CE3 TRP A 95 11.168 -32.616 -13.985 1.00 15.33 C ATOM 1545 CZ2 TRP A 95 10.665 -34.628 -12.078 1.00 13.02 C ATOM 1546 CZ3 TRP A 95 11.448 -33.963 -14.283 1.00 4.42 C ATOM 1547 CH2 TRP A 95 11.210 -34.966 -13.327 1.00 0.10 C ATOM 0 H TRP A 95 11.178 -27.392 -13.457 1.00 5.00 H new ATOM 0 HA TRP A 95 10.753 -28.350 -10.952 1.00 24.50 H new ATOM 0 HB2 TRP A 95 9.482 -29.121 -12.835 1.00 22.22 H new ATOM 0 HB3 TRP A 95 10.914 -29.676 -13.678 1.00 22.22 H new ATOM 0 HD1 TRP A 95 9.392 -30.556 -10.200 1.00 4.11 H new ATOM 0 HE1 TRP A 95 9.538 -33.102 -9.846 1.00 22.21 H new ATOM 0 HE3 TRP A 95 11.377 -31.855 -14.722 1.00 15.33 H new ATOM 0 HZ2 TRP A 95 10.476 -35.393 -11.340 1.00 13.02 H new ATOM 0 HZ3 TRP A 95 11.848 -34.227 -15.251 1.00 4.42 H new ATOM 0 HH2 TRP A 95 11.446 -35.995 -13.553 1.00 0.10 H new ATOM 1558 N ASP A 96 12.776 -29.460 -10.039 1.00 55.32 N ATOM 1559 CA ASP A 96 13.876 -30.180 -9.426 1.00 42.43 C ATOM 1560 C ASP A 96 13.465 -31.641 -9.246 1.00 55.01 C ATOM 1561 O ASP A 96 12.615 -31.954 -8.414 1.00 11.53 O ATOM 1562 CB ASP A 96 14.267 -29.511 -8.104 1.00 44.23 C ATOM 1563 CG ASP A 96 15.586 -30.072 -7.579 1.00 74.11 C ATOM 1564 OD1 ASP A 96 16.616 -29.399 -7.800 1.00 14.34 O ATOM 1565 OD2 ASP A 96 15.546 -31.169 -6.984 1.00 23.42 O ATOM 0 H ASP A 96 12.179 -28.977 -9.368 1.00 55.32 H new ATOM 0 HA ASP A 96 14.759 -30.154 -10.064 1.00 42.43 H new ATOM 0 HB2 ASP A 96 14.357 -28.434 -8.249 1.00 44.23 H new ATOM 0 HB3 ASP A 96 13.481 -29.668 -7.366 1.00 44.23 H new ATOM 1570 N ARG A 97 14.062 -32.523 -10.055 1.00 21.20 N ATOM 1571 CA ARG A 97 13.825 -33.960 -10.021 1.00 42.42 C ATOM 1572 C ARG A 97 14.635 -34.662 -8.927 1.00 12.03 C ATOM 1573 O ARG A 97 14.258 -35.751 -8.500 1.00 14.03 O ATOM 1574 CB ARG A 97 14.086 -34.575 -11.405 1.00 40.43 C ATOM 1575 CG ARG A 97 15.558 -34.781 -11.799 1.00 71.42 C ATOM 1576 CD ARG A 97 16.340 -33.477 -11.982 1.00 52.54 C ATOM 1577 NE ARG A 97 17.620 -33.727 -12.657 1.00 2.31 N ATOM 1578 CZ ARG A 97 18.405 -32.779 -13.196 1.00 32.32 C ATOM 1579 NH1 ARG A 97 18.081 -31.480 -13.108 1.00 13.01 N ATOM 1580 NH2 ARG A 97 19.528 -33.139 -13.833 1.00 1.41 N ATOM 0 H ARG A 97 14.738 -32.245 -10.766 1.00 21.20 H new ATOM 0 HA ARG A 97 12.777 -34.116 -9.766 1.00 42.42 H new ATOM 0 HB2 ARG A 97 13.583 -35.541 -11.449 1.00 40.43 H new ATOM 0 HB3 ARG A 97 13.618 -33.937 -12.155 1.00 40.43 H new ATOM 0 HG2 ARG A 97 16.048 -35.383 -11.033 1.00 71.42 H new ATOM 0 HG3 ARG A 97 15.599 -35.351 -12.727 1.00 71.42 H new ATOM 0 HD2 ARG A 97 15.748 -32.771 -12.565 1.00 52.54 H new ATOM 0 HD3 ARG A 97 16.520 -33.016 -11.011 1.00 52.54 H new ATOM 0 HE ARG A 97 17.937 -34.694 -12.722 1.00 2.31 H new ATOM 0 HH11 ARG A 97 17.227 -31.199 -12.626 1.00 13.01 H new ATOM 0 HH12 ARG A 97 18.689 -30.774 -13.523 1.00 13.01 H new ATOM 0 HH21 ARG A 97 19.780 -34.125 -13.905 1.00 1.41 H new ATOM 0 HH22 ARG A 97 20.131 -32.427 -14.246 1.00 1.41 H new ATOM 1594 N ASP A 98 15.755 -34.061 -8.498 1.00 42.42 N ATOM 1595 CA ASP A 98 16.686 -34.651 -7.545 1.00 31.15 C ATOM 1596 C ASP A 98 16.021 -34.857 -6.182 1.00 22.53 C ATOM 1597 O ASP A 98 16.161 -35.925 -5.587 1.00 12.04 O ATOM 1598 CB ASP A 98 17.929 -33.758 -7.440 1.00 41.33 C ATOM 1599 CG ASP A 98 19.008 -34.379 -6.556 1.00 33.20 C ATOM 1600 OD1 ASP A 98 19.692 -35.298 -7.057 1.00 4.01 O ATOM 1601 OD2 ASP A 98 19.137 -33.919 -5.401 1.00 73.33 O ATOM 0 H ASP A 98 16.038 -33.133 -8.814 1.00 42.42 H new ATOM 0 HA ASP A 98 16.990 -35.636 -7.898 1.00 31.15 H new ATOM 0 HB2 ASP A 98 18.334 -33.582 -8.437 1.00 41.33 H new ATOM 0 HB3 ASP A 98 17.644 -32.787 -7.036 1.00 41.33 H new ATOM 1606 N MET A 99 15.298 -33.838 -5.701 1.00 53.25 N ATOM 1607 CA MET A 99 14.592 -33.860 -4.428 1.00 63.55 C ATOM 1608 C MET A 99 13.362 -32.946 -4.463 1.00 41.41 C ATOM 1609 O MET A 99 12.571 -33.030 -3.498 1.00 1.14 O ATOM 1610 CB MET A 99 15.561 -33.517 -3.282 1.00 21.30 C ATOM 1611 CG MET A 99 16.403 -32.253 -3.505 1.00 4.41 C ATOM 1612 SD MET A 99 15.514 -30.674 -3.521 1.00 31.35 S ATOM 1613 CE MET A 99 16.876 -29.581 -4.001 1.00 52.54 C ATOM 1614 OXT MET A 99 13.219 -32.186 -5.446 1.00 0.00 O ATOM 0 H MET A 99 15.189 -32.957 -6.204 1.00 53.25 H new ATOM 0 HA MET A 99 14.216 -34.866 -4.244 1.00 63.55 H new ATOM 0 HB2 MET A 99 14.986 -33.396 -2.364 1.00 21.30 H new ATOM 0 HB3 MET A 99 16.233 -34.361 -3.129 1.00 21.30 H new ATOM 0 HG2 MET A 99 17.162 -32.208 -2.724 1.00 4.41 H new ATOM 0 HG3 MET A 99 16.928 -32.357 -4.454 1.00 4.41 H new ATOM 0 HE1 MET A 99 16.514 -28.555 -4.063 1.00 52.54 H new ATOM 0 HE2 MET A 99 17.671 -29.642 -3.257 1.00 52.54 H new ATOM 0 HE3 MET A 99 17.264 -29.888 -4.972 1.00 52.54 H new TER 1624 MET A 99