USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 832 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 63 HIS : no HD1:sc= -5.17 X(o=-9,f=-8.9!) USER MOD Set 1.2: A 79 TYR OH : rot -34:sc= -3.78! USER MOD Set 2.1: A 70 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 15 ASN : amide:sc= 0.391 K(o=1.8,f=-0.58) USER MOD Set 3.2: A 28 THR OG1 : rot 77:sc= 1.39 USER MOD Single : A 1 VAL N :NH3+ -148:sc= -1.68! (180deg=-2.5!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 5 SER OG : rot 180:sc= 0.193 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS : no HD1:sc= -11.6! C(o=-12!,f=-14!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -35:sc= -1.66! USER MOD Single : A 25 SER OG : rot 113:sc= -0.296 USER MOD Single : A 29 TYR OH : rot 180:sc= -1.75! USER MOD Single : A 30 SER OG : rot -104:sc= -0.236 USER MOD Single : A 32 ASN : amide:sc= -0.197 K(o=-0.2,f=-2.8!) USER MOD Single : A 33 SER OG : rot 180:sc= 0.061 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 99:sc= -0.316 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0.28) USER MOD Single : A 41 SER OG : rot 180:sc= 0.0111 USER MOD Single : A 46 SER OG : rot -66:sc= 1.14 USER MOD Single : A 51 SER OG : rot -67:sc= 0.0123 USER MOD Single : A 55 THR OG1 : rot 170:sc= -6.33! USER MOD Single : A 57 GLN : amide:sc= -2.05! C(o=-2.1!,f=-3.9!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.169 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -1.5! C(o=-1.5!,f=-5!) USER MOD Single : A 72 SER OG : rot 8:sc= 0.621 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= -0.18 USER MOD Single : A 80 SER OG : rot 180:sc= -0.463 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -2.89! C(o=-2.9!,f=-2.2!) USER MOD Single : A 84 ASN : amide:sc= -2.03! C(o=-2!,f=-4.9!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 58:sc= -1.23 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -14:sc= 0.569 USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.0528 USER MOD Single : A 104 SER OG : rot -160:sc= -0.777 USER MOD Single : A 107 ASN : amide:sc= -7.23! C(o=-7.2!,f=-14!) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.096 USER MOD Single : A 110 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.273) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -8.901 12.758 26.680 1.00 0.00 N ATOM 2 CA VAL A 1 -9.886 12.509 25.585 1.00 0.00 C ATOM 3 C VAL A 1 -10.810 11.347 25.958 1.00 0.00 C ATOM 4 O VAL A 1 -10.606 10.670 26.946 1.00 0.00 O ATOM 5 CB VAL A 1 -9.044 12.153 24.360 1.00 0.00 C ATOM 6 CG1 VAL A 1 -7.976 13.226 24.146 1.00 0.00 C ATOM 7 CG2 VAL A 1 -8.368 10.799 24.582 1.00 0.00 C ATOM 0 H1 VAL A 1 -8.670 13.771 26.715 1.00 0.00 H new ATOM 0 H2 VAL A 1 -9.311 12.464 27.589 1.00 0.00 H new ATOM 0 H3 VAL A 1 -8.035 12.212 26.499 1.00 0.00 H new ATOM 0 HA VAL A 1 -10.522 13.375 25.401 1.00 0.00 H new ATOM 0 HB VAL A 1 -9.686 12.099 23.481 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -7.375 12.972 23.272 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -8.457 14.191 23.988 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -7.333 13.280 25.025 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -7.767 10.545 23.709 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -7.726 10.853 25.461 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -9.129 10.033 24.735 1.00 0.00 H new ATOM 19 N LYS A 2 -11.828 11.113 25.174 1.00 0.00 N ATOM 20 CA LYS A 2 -12.768 9.997 25.484 1.00 0.00 C ATOM 21 C LYS A 2 -13.137 9.241 24.206 1.00 0.00 C ATOM 22 O LYS A 2 -12.723 9.592 23.120 1.00 0.00 O ATOM 23 CB LYS A 2 -14.004 10.675 26.079 1.00 0.00 C ATOM 24 CG LYS A 2 -13.633 11.345 27.404 1.00 0.00 C ATOM 25 CD LYS A 2 -14.637 10.934 28.483 1.00 0.00 C ATOM 26 CE LYS A 2 -14.529 11.890 29.674 1.00 0.00 C ATOM 27 NZ LYS A 2 -14.495 11.008 30.873 1.00 0.00 N ATOM 0 H LYS A 2 -12.049 11.646 24.333 1.00 0.00 H new ATOM 0 HA LYS A 2 -12.331 9.269 26.167 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.396 11.416 25.382 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -14.793 9.940 26.240 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.625 11.055 27.701 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.631 12.429 27.288 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -15.649 10.953 28.079 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -14.442 9.911 28.805 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.630 12.502 29.609 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -15.378 12.573 29.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.421 11.591 31.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -15.367 10.442 30.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.673 10.374 30.814 1.00 0.00 H new ATOM 41 N CYS A 3 -13.914 8.202 24.336 1.00 0.00 N ATOM 42 CA CYS A 3 -14.320 7.410 23.138 1.00 0.00 C ATOM 43 C CYS A 3 -15.794 7.021 23.241 1.00 0.00 C ATOM 44 O CYS A 3 -16.138 6.011 23.823 1.00 0.00 O ATOM 45 CB CYS A 3 -13.444 6.161 23.179 1.00 0.00 C ATOM 46 SG CYS A 3 -12.079 6.332 22.007 1.00 0.00 S ATOM 0 H CYS A 3 -14.287 7.865 25.223 1.00 0.00 H new ATOM 0 HA CYS A 3 -14.197 7.970 22.211 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -13.054 6.012 24.186 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -14.038 5.281 22.934 1.00 0.00 H new ATOM 51 N GLN A 4 -16.669 7.808 22.684 1.00 0.00 N ATOM 52 CA GLN A 4 -18.117 7.470 22.759 1.00 0.00 C ATOM 53 C GLN A 4 -18.436 6.293 21.843 1.00 0.00 C ATOM 54 O GLN A 4 -17.566 5.706 21.231 1.00 0.00 O ATOM 55 CB GLN A 4 -18.853 8.722 22.293 1.00 0.00 C ATOM 56 CG GLN A 4 -19.110 9.636 23.492 1.00 0.00 C ATOM 57 CD GLN A 4 -18.116 10.798 23.473 1.00 0.00 C ATOM 58 OE1 GLN A 4 -16.960 10.629 23.804 1.00 0.00 O ATOM 59 NE2 GLN A 4 -18.521 11.980 23.099 1.00 0.00 N ATOM 0 H GLN A 4 -16.446 8.667 22.182 1.00 0.00 H new ATOM 0 HA GLN A 4 -18.413 7.179 23.767 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -18.262 9.246 21.542 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -19.797 8.448 21.822 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -20.131 10.017 23.460 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -19.009 9.073 24.420 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -19.492 12.122 22.821 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -17.867 12.762 23.085 1.00 0.00 H new ATOM 68 N SER A 5 -19.683 5.949 21.752 1.00 0.00 N ATOM 69 CA SER A 5 -20.084 4.808 20.881 1.00 0.00 C ATOM 70 C SER A 5 -19.537 5.011 19.467 1.00 0.00 C ATOM 71 O SER A 5 -19.547 6.109 18.947 1.00 0.00 O ATOM 72 CB SER A 5 -21.612 4.832 20.872 1.00 0.00 C ATOM 73 OG SER A 5 -22.066 6.101 21.325 1.00 0.00 O ATOM 0 H SER A 5 -20.449 6.408 22.244 1.00 0.00 H new ATOM 0 HA SER A 5 -19.695 3.856 21.241 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.984 4.638 19.866 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.003 4.043 21.514 1.00 0.00 H new ATOM 0 HG SER A 5 -23.046 6.119 21.318 1.00 0.00 H new ATOM 79 N PRO A 6 -19.071 3.937 18.893 1.00 0.00 N ATOM 80 CA PRO A 6 -18.506 3.990 17.524 1.00 0.00 C ATOM 81 C PRO A 6 -19.626 4.166 16.494 1.00 0.00 C ATOM 82 O PRO A 6 -20.749 3.766 16.726 1.00 0.00 O ATOM 83 CB PRO A 6 -17.843 2.626 17.364 1.00 0.00 C ATOM 84 CG PRO A 6 -18.579 1.729 18.300 1.00 0.00 C ATOM 85 CD PRO A 6 -19.025 2.585 19.459 1.00 0.00 C ATOM 0 HA PRO A 6 -17.816 4.820 17.375 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -17.916 2.270 16.336 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -16.782 2.671 17.612 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -19.435 1.271 17.805 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -17.938 0.917 18.643 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -20.000 2.274 19.835 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -18.327 2.524 20.294 1.00 0.00 H new ATOM 93 N PRO A 7 -19.278 4.753 15.383 1.00 0.00 N ATOM 94 CA PRO A 7 -20.267 4.974 14.303 1.00 0.00 C ATOM 95 C PRO A 7 -20.583 3.651 13.600 1.00 0.00 C ATOM 96 O PRO A 7 -19.924 2.653 13.811 1.00 0.00 O ATOM 97 CB PRO A 7 -19.558 5.938 13.358 1.00 0.00 C ATOM 98 CG PRO A 7 -18.098 5.719 13.601 1.00 0.00 C ATOM 99 CD PRO A 7 -17.948 5.261 15.030 1.00 0.00 C ATOM 0 HA PRO A 7 -21.219 5.365 14.662 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -19.819 5.736 12.319 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -19.841 6.970 13.563 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -17.701 4.972 12.914 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -17.537 6.638 13.431 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -17.187 4.486 15.123 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -17.648 6.081 15.682 1.00 0.00 H new ATOM 107 N SER A 8 -21.586 3.637 12.767 1.00 0.00 N ATOM 108 CA SER A 8 -21.942 2.376 12.052 1.00 0.00 C ATOM 109 C SER A 8 -20.879 2.045 11.004 1.00 0.00 C ATOM 110 O SER A 8 -19.949 2.798 10.788 1.00 0.00 O ATOM 111 CB SER A 8 -23.284 2.662 11.380 1.00 0.00 C ATOM 112 OG SER A 8 -23.094 3.608 10.337 1.00 0.00 O ATOM 0 H SER A 8 -22.174 4.441 12.550 1.00 0.00 H new ATOM 0 HA SER A 8 -22.000 1.523 12.728 1.00 0.00 H new ATOM 0 HB2 SER A 8 -23.707 1.741 10.979 1.00 0.00 H new ATOM 0 HB3 SER A 8 -23.995 3.047 12.111 1.00 0.00 H new ATOM 0 HG SER A 8 -23.953 3.793 9.902 1.00 0.00 H new ATOM 118 N ILE A 9 -21.013 0.927 10.348 1.00 0.00 N ATOM 119 CA ILE A 9 -20.010 0.550 9.308 1.00 0.00 C ATOM 120 C ILE A 9 -20.669 -0.138 8.129 1.00 0.00 C ATOM 121 O ILE A 9 -21.875 -0.171 7.991 1.00 0.00 O ATOM 122 CB ILE A 9 -19.010 -0.408 9.961 1.00 0.00 C ATOM 123 CG1 ILE A 9 -19.670 -1.246 11.068 1.00 0.00 C ATOM 124 CG2 ILE A 9 -17.861 0.404 10.534 1.00 0.00 C ATOM 125 CD1 ILE A 9 -19.476 -2.731 10.750 1.00 0.00 C ATOM 0 H ILE A 9 -21.771 0.258 10.485 1.00 0.00 H new ATOM 0 HA ILE A 9 -19.518 1.448 8.933 1.00 0.00 H new ATOM 0 HB ILE A 9 -18.642 -1.102 9.205 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -19.228 -1.007 12.035 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -20.732 -1.011 11.136 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -17.140 -0.266 11.003 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -17.373 0.959 9.733 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -18.244 1.102 11.278 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -19.941 -3.334 11.530 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -19.938 -2.961 9.790 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -18.411 -2.957 10.703 1.00 0.00 H new ATOM 137 N SER A 10 -19.860 -0.674 7.271 1.00 0.00 N ATOM 138 CA SER A 10 -20.387 -1.359 6.069 1.00 0.00 C ATOM 139 C SER A 10 -21.624 -2.196 6.416 1.00 0.00 C ATOM 140 O SER A 10 -21.518 -3.325 6.850 1.00 0.00 O ATOM 141 CB SER A 10 -19.250 -2.258 5.587 1.00 0.00 C ATOM 142 OG SER A 10 -19.094 -2.105 4.182 1.00 0.00 O ATOM 0 H SER A 10 -18.843 -0.667 7.352 1.00 0.00 H new ATOM 0 HA SER A 10 -20.698 -0.648 5.304 1.00 0.00 H new ATOM 0 HB2 SER A 10 -18.323 -1.997 6.098 1.00 0.00 H new ATOM 0 HB3 SER A 10 -19.466 -3.299 5.829 1.00 0.00 H new ATOM 0 HG SER A 10 -18.364 -2.679 3.869 1.00 0.00 H new ATOM 148 N ASN A 11 -22.796 -1.654 6.220 1.00 0.00 N ATOM 149 CA ASN A 11 -24.041 -2.420 6.530 1.00 0.00 C ATOM 150 C ASN A 11 -23.882 -3.208 7.834 1.00 0.00 C ATOM 151 O ASN A 11 -24.352 -4.322 7.957 1.00 0.00 O ATOM 152 CB ASN A 11 -24.224 -3.373 5.348 1.00 0.00 C ATOM 153 CG ASN A 11 -24.860 -2.618 4.179 1.00 0.00 C ATOM 154 OD1 ASN A 11 -26.059 -2.664 3.992 1.00 0.00 O ATOM 155 ND2 ASN A 11 -24.101 -1.920 3.380 1.00 0.00 N ATOM 0 H ASN A 11 -22.947 -0.712 5.858 1.00 0.00 H new ATOM 0 HA ASN A 11 -24.900 -1.763 6.666 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -23.261 -3.786 5.047 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -24.855 -4.213 5.639 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -24.515 -1.413 2.598 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -23.094 -1.882 3.537 1.00 0.00 H new ATOM 162 N GLY A 12 -23.227 -2.641 8.809 1.00 0.00 N ATOM 163 CA GLY A 12 -23.045 -3.361 10.102 1.00 0.00 C ATOM 164 C GLY A 12 -23.161 -2.369 11.261 1.00 0.00 C ATOM 165 O GLY A 12 -22.825 -1.208 11.134 1.00 0.00 O ATOM 0 H GLY A 12 -22.810 -1.711 8.767 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -23.797 -4.144 10.203 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -22.071 -3.850 10.124 1.00 0.00 H new ATOM 169 N ARG A 13 -23.635 -2.817 12.392 1.00 0.00 N ATOM 170 CA ARG A 13 -23.772 -1.901 13.561 1.00 0.00 C ATOM 171 C ARG A 13 -22.647 -2.144 14.561 1.00 0.00 C ATOM 172 O ARG A 13 -21.720 -2.889 14.312 1.00 0.00 O ATOM 173 CB ARG A 13 -25.121 -2.247 14.189 1.00 0.00 C ATOM 174 CG ARG A 13 -25.172 -3.741 14.510 1.00 0.00 C ATOM 175 CD ARG A 13 -25.949 -3.954 15.812 1.00 0.00 C ATOM 176 NE ARG A 13 -26.658 -5.251 15.632 1.00 0.00 N ATOM 177 CZ ARG A 13 -26.632 -6.146 16.581 1.00 0.00 C ATOM 178 NH1 ARG A 13 -26.584 -5.772 17.831 1.00 0.00 N ATOM 179 NH2 ARG A 13 -26.652 -7.417 16.281 1.00 0.00 N ATOM 0 H ARG A 13 -23.933 -3.778 12.557 1.00 0.00 H new ATOM 0 HA ARG A 13 -23.716 -0.854 13.264 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -25.270 -1.665 15.098 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -25.929 -1.984 13.506 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -25.651 -4.283 13.695 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -24.162 -4.138 14.607 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -25.278 -3.987 16.671 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -26.653 -3.141 15.989 1.00 0.00 H new ATOM 0 HE ARG A 13 -27.164 -5.440 14.767 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -26.567 -4.780 18.066 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -26.564 -6.472 18.572 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -26.688 -7.710 15.305 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -26.632 -8.117 17.023 1.00 0.00 H new ATOM 193 N HIS A 14 -22.728 -1.506 15.687 1.00 0.00 N ATOM 194 CA HIS A 14 -21.672 -1.671 16.725 1.00 0.00 C ATOM 195 C HIS A 14 -22.305 -1.820 18.113 1.00 0.00 C ATOM 196 O HIS A 14 -23.194 -1.078 18.484 1.00 0.00 O ATOM 197 CB HIS A 14 -20.847 -0.394 16.635 1.00 0.00 C ATOM 198 CG HIS A 14 -21.610 0.752 17.229 1.00 0.00 C ATOM 199 ND1 HIS A 14 -21.393 1.175 18.527 1.00 0.00 N ATOM 200 CD2 HIS A 14 -22.533 1.615 16.699 1.00 0.00 C ATOM 201 CE1 HIS A 14 -22.154 2.258 18.733 1.00 0.00 C ATOM 202 NE2 HIS A 14 -22.876 2.571 17.651 1.00 0.00 N ATOM 0 H HIS A 14 -23.485 -0.871 15.939 1.00 0.00 H new ATOM 0 HA HIS A 14 -21.065 -2.563 16.568 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -19.902 -0.524 17.162 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -20.605 -0.180 15.594 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -22.933 1.562 15.697 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -22.181 2.811 19.660 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -23.535 3.343 17.546 1.00 0.00 H new ATOM 210 N ASN A 15 -21.856 -2.777 18.879 1.00 0.00 N ATOM 211 CA ASN A 15 -22.432 -2.978 20.241 1.00 0.00 C ATOM 212 C ASN A 15 -22.313 -1.692 21.062 1.00 0.00 C ATOM 213 O ASN A 15 -21.232 -1.190 21.294 1.00 0.00 O ATOM 214 CB ASN A 15 -21.593 -4.095 20.864 1.00 0.00 C ATOM 215 CG ASN A 15 -21.748 -5.372 20.037 1.00 0.00 C ATOM 216 OD1 ASN A 15 -20.798 -6.104 19.844 1.00 0.00 O ATOM 217 ND2 ASN A 15 -22.915 -5.673 19.538 1.00 0.00 N ATOM 0 H ASN A 15 -21.115 -3.429 18.621 1.00 0.00 H new ATOM 0 HA ASN A 15 -23.491 -3.234 20.208 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -20.545 -3.799 20.902 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -21.911 -4.273 21.891 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -23.030 -6.523 18.986 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -23.713 -5.058 19.700 1.00 0.00 H new ATOM 224 N GLY A 16 -23.419 -1.157 21.504 1.00 0.00 N ATOM 225 CA GLY A 16 -23.371 0.095 22.310 1.00 0.00 C ATOM 226 C GLY A 16 -23.962 -0.168 23.696 1.00 0.00 C ATOM 227 O GLY A 16 -25.043 0.283 24.016 1.00 0.00 O ATOM 0 H GLY A 16 -24.353 -1.533 21.341 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -22.342 0.442 22.402 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -23.930 0.885 21.808 1.00 0.00 H new ATOM 231 N TYR A 17 -23.260 -0.897 24.520 1.00 0.00 N ATOM 232 CA TYR A 17 -23.781 -1.192 25.886 1.00 0.00 C ATOM 233 C TYR A 17 -23.356 -0.092 26.862 1.00 0.00 C ATOM 234 O TYR A 17 -23.856 0.003 27.965 1.00 0.00 O ATOM 235 CB TYR A 17 -23.142 -2.527 26.269 1.00 0.00 C ATOM 236 CG TYR A 17 -23.845 -3.102 27.475 1.00 0.00 C ATOM 237 CD1 TYR A 17 -25.243 -3.102 27.538 1.00 0.00 C ATOM 238 CD2 TYR A 17 -23.097 -3.639 28.530 1.00 0.00 C ATOM 239 CE1 TYR A 17 -25.894 -3.639 28.656 1.00 0.00 C ATOM 240 CE2 TYR A 17 -23.747 -4.176 29.647 1.00 0.00 C ATOM 241 CZ TYR A 17 -25.146 -4.176 29.711 1.00 0.00 C ATOM 242 OH TYR A 17 -25.787 -4.706 30.813 1.00 0.00 O ATOM 0 H TYR A 17 -22.348 -1.301 24.307 1.00 0.00 H new ATOM 0 HA TYR A 17 -24.870 -1.237 25.915 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -23.205 -3.224 25.433 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -22.083 -2.385 26.487 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -25.820 -2.688 26.724 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -22.018 -3.639 28.482 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -26.973 -3.639 28.704 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -23.169 -4.591 30.460 1.00 0.00 H new ATOM 0 HH TYR A 17 -25.121 -5.037 31.451 1.00 0.00 H new ATOM 252 N GLU A 18 -22.435 0.741 26.461 1.00 0.00 N ATOM 253 CA GLU A 18 -21.974 1.838 27.360 1.00 0.00 C ATOM 254 C GLU A 18 -22.234 3.195 26.704 1.00 0.00 C ATOM 255 O GLU A 18 -23.234 3.392 26.043 1.00 0.00 O ATOM 256 CB GLU A 18 -20.474 1.603 27.532 1.00 0.00 C ATOM 257 CG GLU A 18 -19.779 1.714 26.173 1.00 0.00 C ATOM 258 CD GLU A 18 -18.832 2.915 26.181 1.00 0.00 C ATOM 259 OE1 GLU A 18 -17.981 2.967 27.053 1.00 0.00 O ATOM 260 OE2 GLU A 18 -18.972 3.761 25.313 1.00 0.00 O ATOM 0 H GLU A 18 -21.981 0.710 25.548 1.00 0.00 H new ATOM 0 HA GLU A 18 -22.497 1.840 28.316 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -20.058 2.334 28.225 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -20.297 0.618 27.963 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -19.223 0.801 25.961 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -20.520 1.827 25.382 1.00 0.00 H new ATOM 267 N ASP A 19 -21.343 4.134 26.877 1.00 0.00 N ATOM 268 CA ASP A 19 -21.550 5.471 26.253 1.00 0.00 C ATOM 269 C ASP A 19 -20.206 6.159 25.994 1.00 0.00 C ATOM 270 O ASP A 19 -20.018 6.798 24.981 1.00 0.00 O ATOM 271 CB ASP A 19 -22.376 6.262 27.269 1.00 0.00 C ATOM 272 CG ASP A 19 -23.847 6.253 26.849 1.00 0.00 C ATOM 273 OD1 ASP A 19 -24.145 6.789 25.794 1.00 0.00 O ATOM 274 OD2 ASP A 19 -24.651 5.712 27.590 1.00 0.00 O ATOM 0 H ASP A 19 -20.486 4.034 27.420 1.00 0.00 H new ATOM 0 HA ASP A 19 -22.053 5.398 25.289 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -22.268 5.824 28.261 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -22.011 7.287 27.331 1.00 0.00 H new ATOM 279 N PHE A 20 -19.271 6.031 26.896 1.00 0.00 N ATOM 280 CA PHE A 20 -17.940 6.678 26.685 1.00 0.00 C ATOM 281 C PHE A 20 -16.823 5.653 26.892 1.00 0.00 C ATOM 282 O PHE A 20 -16.196 5.600 27.931 1.00 0.00 O ATOM 283 CB PHE A 20 -17.849 7.794 27.731 1.00 0.00 C ATOM 284 CG PHE A 20 -18.426 7.319 29.043 1.00 0.00 C ATOM 285 CD1 PHE A 20 -19.803 7.410 29.272 1.00 0.00 C ATOM 286 CD2 PHE A 20 -17.585 6.790 30.029 1.00 0.00 C ATOM 287 CE1 PHE A 20 -20.341 6.972 30.488 1.00 0.00 C ATOM 288 CE2 PHE A 20 -18.123 6.352 31.245 1.00 0.00 C ATOM 289 CZ PHE A 20 -19.501 6.443 31.475 1.00 0.00 C ATOM 0 H PHE A 20 -19.368 5.509 27.767 1.00 0.00 H new ATOM 0 HA PHE A 20 -17.834 7.072 25.674 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -16.809 8.092 27.868 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -18.390 8.674 27.384 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -20.451 7.818 28.511 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -16.522 6.720 29.852 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -21.404 7.042 30.665 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -17.475 5.944 32.006 1.00 0.00 H new ATOM 0 HZ PHE A 20 -19.916 6.105 32.413 1.00 0.00 H new ATOM 299 N TYR A 21 -16.577 4.836 25.906 1.00 0.00 N ATOM 300 CA TYR A 21 -15.509 3.805 26.030 1.00 0.00 C ATOM 301 C TYR A 21 -14.187 4.442 26.474 1.00 0.00 C ATOM 302 O TYR A 21 -13.384 3.828 27.148 1.00 0.00 O ATOM 303 CB TYR A 21 -15.397 3.204 24.638 1.00 0.00 C ATOM 304 CG TYR A 21 -16.272 1.972 24.579 1.00 0.00 C ATOM 305 CD1 TYR A 21 -16.139 0.976 25.554 1.00 0.00 C ATOM 306 CD2 TYR A 21 -17.219 1.824 23.558 1.00 0.00 C ATOM 307 CE1 TYR A 21 -16.948 -0.164 25.507 1.00 0.00 C ATOM 308 CE2 TYR A 21 -18.028 0.683 23.511 1.00 0.00 C ATOM 309 CZ TYR A 21 -17.892 -0.312 24.485 1.00 0.00 C ATOM 310 OH TYR A 21 -18.689 -1.438 24.439 1.00 0.00 O ATOM 0 H TYR A 21 -17.073 4.838 25.015 1.00 0.00 H new ATOM 0 HA TYR A 21 -15.741 3.050 26.781 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -15.710 3.928 23.886 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -14.361 2.945 24.419 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -15.411 1.088 26.344 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -17.325 2.592 22.806 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -16.844 -0.931 26.260 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -18.758 0.571 22.723 1.00 0.00 H new ATOM 0 HH TYR A 21 -19.290 -1.382 23.667 1.00 0.00 H new ATOM 320 N THR A 22 -13.970 5.675 26.118 1.00 0.00 N ATOM 321 CA THR A 22 -12.718 6.382 26.531 1.00 0.00 C ATOM 322 C THR A 22 -11.475 5.824 25.822 1.00 0.00 C ATOM 323 O THR A 22 -10.957 6.430 24.906 1.00 0.00 O ATOM 324 CB THR A 22 -12.623 6.185 28.048 1.00 0.00 C ATOM 325 OG1 THR A 22 -13.910 5.882 28.568 1.00 0.00 O ATOM 326 CG2 THR A 22 -12.107 7.471 28.696 1.00 0.00 C ATOM 0 H THR A 22 -14.610 6.233 25.553 1.00 0.00 H new ATOM 0 HA THR A 22 -12.756 7.436 26.256 1.00 0.00 H new ATOM 0 HB THR A 22 -11.939 5.365 28.265 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.590 6.381 28.069 1.00 0.00 H new ATOM 0 HG21 THR A 22 -12.039 7.333 29.775 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.121 7.709 28.298 1.00 0.00 H new ATOM 0 HG23 THR A 22 -12.793 8.289 28.478 1.00 0.00 H new ATOM 334 N ASP A 23 -10.979 4.696 26.239 1.00 0.00 N ATOM 335 CA ASP A 23 -9.759 4.140 25.582 1.00 0.00 C ATOM 336 C ASP A 23 -9.574 2.673 25.964 1.00 0.00 C ATOM 337 O ASP A 23 -10.119 2.202 26.942 1.00 0.00 O ATOM 338 CB ASP A 23 -8.609 4.989 26.125 1.00 0.00 C ATOM 339 CG ASP A 23 -7.273 4.349 25.744 1.00 0.00 C ATOM 340 OD1 ASP A 23 -7.001 3.262 26.226 1.00 0.00 O ATOM 341 OD2 ASP A 23 -6.545 4.956 24.976 1.00 0.00 O ATOM 0 H ASP A 23 -11.360 4.135 27.001 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.817 4.174 24.494 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.668 6.000 25.721 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.687 5.074 27.209 1.00 0.00 H new ATOM 346 N GLY A 24 -8.816 1.942 25.194 1.00 0.00 N ATOM 347 CA GLY A 24 -8.609 0.503 25.514 1.00 0.00 C ATOM 348 C GLY A 24 -9.952 -0.217 25.424 1.00 0.00 C ATOM 349 O GLY A 24 -10.117 -1.313 25.923 1.00 0.00 O ATOM 0 H GLY A 24 -8.333 2.278 24.361 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.896 0.060 24.819 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.189 0.395 26.514 1.00 0.00 H new ATOM 353 N SER A 25 -10.915 0.396 24.792 1.00 0.00 N ATOM 354 CA SER A 25 -12.253 -0.247 24.667 1.00 0.00 C ATOM 355 C SER A 25 -12.365 -0.975 23.334 1.00 0.00 C ATOM 356 O SER A 25 -11.497 -0.884 22.490 1.00 0.00 O ATOM 357 CB SER A 25 -13.253 0.902 24.716 1.00 0.00 C ATOM 358 OG SER A 25 -13.335 1.402 26.044 1.00 0.00 O ATOM 0 H SER A 25 -10.833 1.315 24.357 1.00 0.00 H new ATOM 0 HA SER A 25 -12.428 -0.981 25.454 1.00 0.00 H new ATOM 0 HB2 SER A 25 -12.945 1.696 24.035 1.00 0.00 H new ATOM 0 HB3 SER A 25 -14.233 0.560 24.384 1.00 0.00 H new ATOM 0 HG SER A 25 -12.966 2.309 26.075 1.00 0.00 H new ATOM 364 N VAL A 26 -13.433 -1.689 23.130 1.00 0.00 N ATOM 365 CA VAL A 26 -13.592 -2.407 21.842 1.00 0.00 C ATOM 366 C VAL A 26 -15.061 -2.631 21.530 1.00 0.00 C ATOM 367 O VAL A 26 -15.898 -2.686 22.409 1.00 0.00 O ATOM 368 CB VAL A 26 -12.871 -3.740 22.027 1.00 0.00 C ATOM 369 CG1 VAL A 26 -13.253 -4.687 20.892 1.00 0.00 C ATOM 370 CG2 VAL A 26 -11.364 -3.510 22.001 1.00 0.00 C ATOM 0 H VAL A 26 -14.197 -1.805 23.795 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.180 -1.837 21.009 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.159 -4.178 22.983 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.738 -5.639 21.024 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.330 -4.852 20.903 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.963 -4.247 19.938 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.848 -4.461 22.133 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.079 -3.073 21.044 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.086 -2.831 22.807 1.00 0.00 H new ATOM 380 N VAL A 27 -15.383 -2.751 20.277 1.00 0.00 N ATOM 381 CA VAL A 27 -16.805 -2.959 19.908 1.00 0.00 C ATOM 382 C VAL A 27 -16.943 -3.981 18.797 1.00 0.00 C ATOM 383 O VAL A 27 -16.589 -3.732 17.662 1.00 0.00 O ATOM 384 CB VAL A 27 -17.281 -1.595 19.435 1.00 0.00 C ATOM 385 CG1 VAL A 27 -18.566 -1.739 18.618 1.00 0.00 C ATOM 386 CG2 VAL A 27 -17.552 -0.744 20.654 1.00 0.00 C ATOM 0 H VAL A 27 -14.728 -2.714 19.496 1.00 0.00 H new ATOM 0 HA VAL A 27 -17.389 -3.341 20.745 1.00 0.00 H new ATOM 0 HB VAL A 27 -16.520 -1.133 18.806 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -18.897 -0.756 18.285 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -18.377 -2.371 17.751 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -19.341 -2.193 19.236 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -17.896 0.242 20.340 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -18.320 -1.218 21.265 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -16.637 -0.641 21.237 1.00 0.00 H new ATOM 396 N THR A 28 -17.486 -5.119 19.094 1.00 0.00 N ATOM 397 CA THR A 28 -17.664 -6.109 18.019 1.00 0.00 C ATOM 398 C THR A 28 -18.699 -5.559 17.047 1.00 0.00 C ATOM 399 O THR A 28 -19.879 -5.515 17.333 1.00 0.00 O ATOM 400 CB THR A 28 -18.151 -7.391 18.692 1.00 0.00 C ATOM 401 OG1 THR A 28 -18.337 -7.159 20.081 1.00 0.00 O ATOM 402 CG2 THR A 28 -17.112 -8.492 18.490 1.00 0.00 C ATOM 0 H THR A 28 -17.809 -5.401 20.020 1.00 0.00 H new ATOM 0 HA THR A 28 -16.748 -6.312 17.464 1.00 0.00 H new ATOM 0 HB THR A 28 -19.099 -7.698 18.250 1.00 0.00 H new ATOM 0 HG1 THR A 28 -19.174 -6.669 20.222 1.00 0.00 H new ATOM 0 HG21 THR A 28 -17.456 -9.409 18.969 1.00 0.00 H new ATOM 0 HG22 THR A 28 -16.973 -8.670 17.424 1.00 0.00 H new ATOM 0 HG23 THR A 28 -16.165 -8.184 18.933 1.00 0.00 H new ATOM 410 N TYR A 29 -18.260 -5.106 15.913 1.00 0.00 N ATOM 411 CA TYR A 29 -19.210 -4.518 14.934 1.00 0.00 C ATOM 412 C TYR A 29 -20.130 -5.606 14.373 1.00 0.00 C ATOM 413 O TYR A 29 -19.709 -6.446 13.603 1.00 0.00 O ATOM 414 CB TYR A 29 -18.327 -3.963 13.812 1.00 0.00 C ATOM 415 CG TYR A 29 -17.937 -2.524 14.077 1.00 0.00 C ATOM 416 CD1 TYR A 29 -18.354 -1.859 15.241 1.00 0.00 C ATOM 417 CD2 TYR A 29 -17.146 -1.852 13.138 1.00 0.00 C ATOM 418 CE1 TYR A 29 -17.979 -0.529 15.456 1.00 0.00 C ATOM 419 CE2 TYR A 29 -16.770 -0.524 13.355 1.00 0.00 C ATOM 420 CZ TYR A 29 -17.186 0.139 14.514 1.00 0.00 C ATOM 421 OH TYR A 29 -16.816 1.450 14.728 1.00 0.00 O ATOM 0 H TYR A 29 -17.283 -5.117 15.619 1.00 0.00 H new ATOM 0 HA TYR A 29 -19.842 -3.754 15.386 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -17.429 -4.574 13.718 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -18.858 -4.029 12.862 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -18.963 -2.374 15.969 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -16.825 -2.362 12.242 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -18.301 -0.016 16.350 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -16.159 -0.010 12.628 1.00 0.00 H new ATOM 0 HH TYR A 29 -16.267 1.761 13.979 1.00 0.00 H new ATOM 431 N SER A 30 -21.382 -5.596 14.740 1.00 0.00 N ATOM 432 CA SER A 30 -22.311 -6.632 14.207 1.00 0.00 C ATOM 433 C SER A 30 -22.544 -6.388 12.715 1.00 0.00 C ATOM 434 O SER A 30 -22.434 -5.277 12.236 1.00 0.00 O ATOM 435 CB SER A 30 -23.610 -6.456 14.992 1.00 0.00 C ATOM 436 OG SER A 30 -23.359 -5.673 16.152 1.00 0.00 O ATOM 0 H SER A 30 -21.799 -4.921 15.381 1.00 0.00 H new ATOM 0 HA SER A 30 -21.916 -7.642 14.315 1.00 0.00 H new ATOM 0 HB2 SER A 30 -24.362 -5.972 14.369 1.00 0.00 H new ATOM 0 HB3 SER A 30 -24.011 -7.429 15.276 1.00 0.00 H new ATOM 0 HG SER A 30 -23.331 -6.255 16.940 1.00 0.00 H new ATOM 442 N CYS A 31 -22.851 -7.415 11.974 1.00 0.00 N ATOM 443 CA CYS A 31 -23.074 -7.232 10.512 1.00 0.00 C ATOM 444 C CYS A 31 -24.482 -7.680 10.120 1.00 0.00 C ATOM 445 O CYS A 31 -25.130 -8.427 10.826 1.00 0.00 O ATOM 446 CB CYS A 31 -22.026 -8.121 9.846 1.00 0.00 C ATOM 447 SG CYS A 31 -20.402 -7.762 10.558 1.00 0.00 S ATOM 0 H CYS A 31 -22.957 -8.370 12.315 1.00 0.00 H new ATOM 0 HA CYS A 31 -22.985 -6.188 10.210 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -22.277 -9.172 9.993 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -22.012 -7.944 8.771 1.00 0.00 H new ATOM 452 N ASN A 32 -24.957 -7.230 8.992 1.00 0.00 N ATOM 453 CA ASN A 32 -26.320 -7.628 8.543 1.00 0.00 C ATOM 454 C ASN A 32 -26.519 -9.133 8.746 1.00 0.00 C ATOM 455 O ASN A 32 -25.575 -9.872 8.938 1.00 0.00 O ATOM 456 CB ASN A 32 -26.358 -7.276 7.055 1.00 0.00 C ATOM 457 CG ASN A 32 -27.804 -7.026 6.623 1.00 0.00 C ATOM 458 OD1 ASN A 32 -28.667 -6.800 7.448 1.00 0.00 O ATOM 459 ND2 ASN A 32 -28.106 -7.058 5.355 1.00 0.00 N ATOM 0 H ASN A 32 -24.459 -6.603 8.361 1.00 0.00 H new ATOM 0 HA ASN A 32 -27.109 -7.125 9.102 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -25.753 -6.390 6.865 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -25.928 -8.087 6.468 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -29.067 -6.893 5.055 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -27.381 -7.248 4.663 1.00 0.00 H new ATOM 466 N SER A 33 -27.739 -9.591 8.706 1.00 0.00 N ATOM 467 CA SER A 33 -27.995 -11.047 8.897 1.00 0.00 C ATOM 468 C SER A 33 -27.429 -11.843 7.718 1.00 0.00 C ATOM 469 O SER A 33 -28.119 -12.128 6.759 1.00 0.00 O ATOM 470 CB SER A 33 -29.516 -11.174 8.952 1.00 0.00 C ATOM 471 OG SER A 33 -30.056 -10.038 9.615 1.00 0.00 O ATOM 0 H SER A 33 -28.570 -9.021 8.549 1.00 0.00 H new ATOM 0 HA SER A 33 -27.520 -11.437 9.797 1.00 0.00 H new ATOM 0 HB2 SER A 33 -29.923 -11.249 7.944 1.00 0.00 H new ATOM 0 HB3 SER A 33 -29.798 -12.086 9.479 1.00 0.00 H new ATOM 0 HG SER A 33 -31.032 -10.114 9.651 1.00 0.00 H new ATOM 477 N GLY A 34 -26.175 -12.202 7.781 1.00 0.00 N ATOM 478 CA GLY A 34 -25.564 -12.978 6.665 1.00 0.00 C ATOM 479 C GLY A 34 -24.268 -12.299 6.215 1.00 0.00 C ATOM 480 O GLY A 34 -23.616 -12.740 5.290 1.00 0.00 O ATOM 0 H GLY A 34 -25.548 -11.991 8.557 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -25.358 -13.998 6.988 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -26.261 -13.043 5.830 1.00 0.00 H new ATOM 484 N TYR A 35 -23.888 -11.228 6.860 1.00 0.00 N ATOM 485 CA TYR A 35 -22.632 -10.527 6.463 1.00 0.00 C ATOM 486 C TYR A 35 -21.458 -11.025 7.310 1.00 0.00 C ATOM 487 O TYR A 35 -21.523 -11.057 8.522 1.00 0.00 O ATOM 488 CB TYR A 35 -22.898 -9.044 6.733 1.00 0.00 C ATOM 489 CG TYR A 35 -23.430 -8.385 5.482 1.00 0.00 C ATOM 490 CD1 TYR A 35 -24.100 -9.147 4.517 1.00 0.00 C ATOM 491 CD2 TYR A 35 -23.251 -7.010 5.287 1.00 0.00 C ATOM 492 CE1 TYR A 35 -24.591 -8.534 3.358 1.00 0.00 C ATOM 493 CE2 TYR A 35 -23.742 -6.397 4.128 1.00 0.00 C ATOM 494 CZ TYR A 35 -24.412 -7.159 3.164 1.00 0.00 C ATOM 495 OH TYR A 35 -24.895 -6.555 2.021 1.00 0.00 O ATOM 0 H TYR A 35 -24.391 -10.809 7.642 1.00 0.00 H new ATOM 0 HA TYR A 35 -22.372 -10.709 5.420 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -23.616 -8.936 7.546 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -21.979 -8.552 7.052 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -24.238 -10.208 4.667 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -22.734 -6.422 6.031 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -25.108 -9.122 2.614 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -23.604 -5.336 3.978 1.00 0.00 H new ATOM 0 HH TYR A 35 -24.688 -5.598 2.044 1.00 0.00 H new ATOM 505 N SER A 36 -20.384 -11.414 6.678 1.00 0.00 N ATOM 506 CA SER A 36 -19.206 -11.912 7.445 1.00 0.00 C ATOM 507 C SER A 36 -18.436 -10.744 8.063 1.00 0.00 C ATOM 508 O SER A 36 -18.167 -9.753 7.414 1.00 0.00 O ATOM 509 CB SER A 36 -18.336 -12.631 6.414 1.00 0.00 C ATOM 510 OG SER A 36 -17.740 -13.771 7.018 1.00 0.00 O ATOM 0 H SER A 36 -20.271 -11.409 5.664 1.00 0.00 H new ATOM 0 HA SER A 36 -19.501 -12.567 8.265 1.00 0.00 H new ATOM 0 HB2 SER A 36 -18.940 -12.932 5.558 1.00 0.00 H new ATOM 0 HB3 SER A 36 -17.565 -11.958 6.039 1.00 0.00 H new ATOM 0 HG SER A 36 -18.254 -14.572 6.783 1.00 0.00 H new ATOM 516 N LEU A 37 -18.066 -10.857 9.310 1.00 0.00 N ATOM 517 CA LEU A 37 -17.298 -9.756 9.956 1.00 0.00 C ATOM 518 C LEU A 37 -15.803 -9.990 9.749 1.00 0.00 C ATOM 519 O LEU A 37 -15.209 -10.849 10.369 1.00 0.00 O ATOM 520 CB LEU A 37 -17.645 -9.827 11.443 1.00 0.00 C ATOM 521 CG LEU A 37 -16.756 -8.848 12.213 1.00 0.00 C ATOM 522 CD1 LEU A 37 -17.620 -7.747 12.827 1.00 0.00 C ATOM 523 CD2 LEU A 37 -16.018 -9.594 13.327 1.00 0.00 C ATOM 0 H LEU A 37 -18.262 -11.661 9.907 1.00 0.00 H new ATOM 0 HA LEU A 37 -17.544 -8.780 9.537 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -18.696 -9.581 11.596 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -17.498 -10.841 11.815 1.00 0.00 H new ATOM 0 HG LEU A 37 -16.032 -8.404 11.530 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -16.986 -7.050 13.375 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -18.146 -7.213 12.035 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -18.345 -8.191 13.509 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -15.385 -8.896 13.875 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -16.743 -10.039 14.009 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.400 -10.379 12.892 1.00 0.00 H new ATOM 535 N ILE A 38 -15.188 -9.233 8.888 1.00 0.00 N ATOM 536 CA ILE A 38 -13.727 -9.422 8.655 1.00 0.00 C ATOM 537 C ILE A 38 -12.946 -8.381 9.459 1.00 0.00 C ATOM 538 O ILE A 38 -13.394 -7.274 9.651 1.00 0.00 O ATOM 539 CB ILE A 38 -13.474 -9.230 7.144 1.00 0.00 C ATOM 540 CG1 ILE A 38 -14.785 -9.234 6.334 1.00 0.00 C ATOM 541 CG2 ILE A 38 -12.590 -10.370 6.645 1.00 0.00 C ATOM 542 CD1 ILE A 38 -15.514 -10.565 6.525 1.00 0.00 C ATOM 0 H ILE A 38 -15.628 -8.495 8.337 1.00 0.00 H new ATOM 0 HA ILE A 38 -13.402 -10.413 8.971 1.00 0.00 H new ATOM 0 HB ILE A 38 -12.992 -8.262 7.004 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -15.423 -8.411 6.656 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -14.570 -9.076 5.277 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -12.404 -10.246 5.578 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -11.642 -10.357 7.183 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -13.092 -11.322 6.817 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -16.439 -10.559 5.949 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -14.878 -11.381 6.181 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -15.745 -10.705 7.581 1.00 0.00 H new ATOM 554 N GLY A 39 -11.786 -8.721 9.938 1.00 0.00 N ATOM 555 CA GLY A 39 -11.003 -7.730 10.728 1.00 0.00 C ATOM 556 C GLY A 39 -11.016 -8.122 12.205 1.00 0.00 C ATOM 557 O GLY A 39 -11.492 -9.177 12.574 1.00 0.00 O ATOM 0 H GLY A 39 -11.347 -9.634 9.820 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.977 -7.688 10.362 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -11.427 -6.734 10.603 1.00 0.00 H new ATOM 561 N ASN A 40 -10.502 -7.276 13.054 1.00 0.00 N ATOM 562 CA ASN A 40 -10.490 -7.597 14.509 1.00 0.00 C ATOM 563 C ASN A 40 -11.920 -7.828 15.003 1.00 0.00 C ATOM 564 O ASN A 40 -12.846 -7.166 14.578 1.00 0.00 O ATOM 565 CB ASN A 40 -9.881 -6.367 15.180 1.00 0.00 C ATOM 566 CG ASN A 40 -9.034 -6.804 16.376 1.00 0.00 C ATOM 567 OD1 ASN A 40 -7.822 -6.721 16.341 1.00 0.00 O ATOM 568 ND2 ASN A 40 -9.624 -7.271 17.442 1.00 0.00 N ATOM 0 H ASN A 40 -10.090 -6.377 12.804 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.924 -8.502 14.732 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.266 -5.818 14.467 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -10.670 -5.690 15.508 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.068 -7.566 18.245 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -10.641 -7.341 17.473 1.00 0.00 H new ATOM 575 N SER A 41 -12.109 -8.759 15.896 1.00 0.00 N ATOM 576 CA SER A 41 -13.482 -9.026 16.411 1.00 0.00 C ATOM 577 C SER A 41 -13.876 -7.963 17.439 1.00 0.00 C ATOM 578 O SER A 41 -14.287 -8.272 18.540 1.00 0.00 O ATOM 579 CB SER A 41 -13.397 -10.403 17.068 1.00 0.00 C ATOM 580 OG SER A 41 -12.371 -10.391 18.051 1.00 0.00 O ATOM 0 H SER A 41 -11.374 -9.346 16.291 1.00 0.00 H new ATOM 0 HA SER A 41 -14.233 -8.997 15.622 1.00 0.00 H new ATOM 0 HB2 SER A 41 -14.352 -10.660 17.526 1.00 0.00 H new ATOM 0 HB3 SER A 41 -13.188 -11.165 16.317 1.00 0.00 H new ATOM 0 HG SER A 41 -12.315 -11.272 18.476 1.00 0.00 H new ATOM 586 N GLY A 42 -13.754 -6.710 17.089 1.00 0.00 N ATOM 587 CA GLY A 42 -14.121 -5.631 18.049 1.00 0.00 C ATOM 588 C GLY A 42 -13.251 -4.402 17.802 1.00 0.00 C ATOM 589 O GLY A 42 -12.052 -4.436 17.994 1.00 0.00 O ATOM 0 H GLY A 42 -13.417 -6.389 16.182 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.174 -5.372 17.934 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -13.989 -5.982 19.073 1.00 0.00 H new ATOM 593 N VAL A 43 -13.839 -3.309 17.391 1.00 0.00 N ATOM 594 CA VAL A 43 -13.003 -2.090 17.162 1.00 0.00 C ATOM 595 C VAL A 43 -12.123 -1.894 18.389 1.00 0.00 C ATOM 596 O VAL A 43 -12.280 -2.580 19.377 1.00 0.00 O ATOM 597 CB VAL A 43 -13.926 -0.866 17.020 1.00 0.00 C ATOM 598 CG1 VAL A 43 -13.326 0.084 15.985 1.00 0.00 C ATOM 599 CG2 VAL A 43 -15.329 -1.253 16.565 1.00 0.00 C ATOM 0 H VAL A 43 -14.837 -3.206 17.207 1.00 0.00 H new ATOM 0 HA VAL A 43 -12.400 -2.203 16.261 1.00 0.00 H new ATOM 0 HB VAL A 43 -14.006 -0.393 17.999 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -13.971 0.956 15.875 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -12.337 0.403 16.314 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -13.242 -0.428 15.027 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -15.944 -0.357 16.479 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -15.273 -1.749 15.596 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -15.774 -1.930 17.294 1.00 0.00 H new ATOM 609 N LEU A 44 -11.222 -0.955 18.350 1.00 0.00 N ATOM 610 CA LEU A 44 -10.356 -0.711 19.538 1.00 0.00 C ATOM 611 C LEU A 44 -10.161 0.788 19.735 1.00 0.00 C ATOM 612 O LEU A 44 -9.280 1.388 19.151 1.00 0.00 O ATOM 613 CB LEU A 44 -9.011 -1.378 19.220 1.00 0.00 C ATOM 614 CG LEU A 44 -8.164 -1.560 20.500 1.00 0.00 C ATOM 615 CD1 LEU A 44 -6.683 -1.411 20.152 1.00 0.00 C ATOM 616 CD2 LEU A 44 -8.520 -0.507 21.558 1.00 0.00 C ATOM 0 H LEU A 44 -11.047 -0.347 17.550 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.797 -1.112 20.450 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.184 -2.348 18.754 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.462 -0.771 18.500 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.372 -2.551 20.903 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.083 -1.539 21.053 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.403 -2.168 19.419 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.505 -0.420 19.735 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.907 -0.662 22.446 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.333 0.489 21.157 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.573 -0.599 21.823 1.00 0.00 H new ATOM 628 N CYS A 45 -10.957 1.399 20.564 1.00 0.00 N ATOM 629 CA CYS A 45 -10.773 2.855 20.795 1.00 0.00 C ATOM 630 C CYS A 45 -9.632 3.060 21.783 1.00 0.00 C ATOM 631 O CYS A 45 -9.767 2.814 22.967 1.00 0.00 O ATOM 632 CB CYS A 45 -12.086 3.369 21.375 1.00 0.00 C ATOM 633 SG CYS A 45 -12.488 4.952 20.593 1.00 0.00 S ATOM 0 H CYS A 45 -11.717 0.961 21.085 1.00 0.00 H new ATOM 0 HA CYS A 45 -10.525 3.389 19.878 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -12.884 2.648 21.200 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.999 3.492 22.455 1.00 0.00 H new ATOM 638 N SER A 46 -8.505 3.493 21.303 1.00 0.00 N ATOM 639 CA SER A 46 -7.346 3.701 22.213 1.00 0.00 C ATOM 640 C SER A 46 -6.696 5.061 21.942 1.00 0.00 C ATOM 641 O SER A 46 -5.876 5.204 21.058 1.00 0.00 O ATOM 642 CB SER A 46 -6.381 2.563 21.885 1.00 0.00 C ATOM 643 OG SER A 46 -5.047 3.052 21.915 1.00 0.00 O ATOM 0 H SER A 46 -8.334 3.712 20.322 1.00 0.00 H new ATOM 0 HA SER A 46 -7.636 3.698 23.264 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.499 1.753 22.604 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.607 2.152 20.901 1.00 0.00 H new ATOM 0 HG SER A 46 -4.919 3.699 21.190 1.00 0.00 H new ATOM 649 N GLY A 47 -7.059 6.062 22.698 1.00 0.00 N ATOM 650 CA GLY A 47 -6.466 7.413 22.486 1.00 0.00 C ATOM 651 C GLY A 47 -7.564 8.397 22.077 1.00 0.00 C ATOM 652 O GLY A 47 -7.298 9.440 21.514 1.00 0.00 O ATOM 0 H GLY A 47 -7.741 6.002 23.454 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.979 7.755 23.399 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.698 7.367 21.713 1.00 0.00 H new ATOM 656 N GLY A 48 -8.797 8.074 22.357 1.00 0.00 N ATOM 657 CA GLY A 48 -9.911 8.992 21.985 1.00 0.00 C ATOM 658 C GLY A 48 -10.299 8.759 20.525 1.00 0.00 C ATOM 659 O GLY A 48 -11.014 9.541 19.930 1.00 0.00 O ATOM 0 H GLY A 48 -9.081 7.215 22.827 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.770 8.819 22.633 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.606 10.028 22.130 1.00 0.00 H new ATOM 663 N GLU A 49 -9.833 7.690 19.941 1.00 0.00 N ATOM 664 CA GLU A 49 -10.175 7.409 18.518 1.00 0.00 C ATOM 665 C GLU A 49 -10.296 5.901 18.290 1.00 0.00 C ATOM 666 O GLU A 49 -9.508 5.122 18.789 1.00 0.00 O ATOM 667 CB GLU A 49 -9.008 7.977 17.711 1.00 0.00 C ATOM 668 CG GLU A 49 -8.977 9.500 17.857 1.00 0.00 C ATOM 669 CD GLU A 49 -7.742 10.055 17.145 1.00 0.00 C ATOM 670 OE1 GLU A 49 -6.678 10.030 17.741 1.00 0.00 O ATOM 671 OE2 GLU A 49 -7.881 10.495 16.015 1.00 0.00 O ATOM 0 H GLU A 49 -9.230 6.999 20.387 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.128 7.852 18.228 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.068 7.549 18.060 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.112 7.704 16.661 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.881 9.935 17.432 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.956 9.775 18.912 1.00 0.00 H new ATOM 678 N TRP A 50 -11.275 5.483 17.537 1.00 0.00 N ATOM 679 CA TRP A 50 -11.441 4.025 17.275 1.00 0.00 C ATOM 680 C TRP A 50 -10.483 3.580 16.170 1.00 0.00 C ATOM 681 O TRP A 50 -10.231 4.305 15.228 1.00 0.00 O ATOM 682 CB TRP A 50 -12.890 3.870 16.816 1.00 0.00 C ATOM 683 CG TRP A 50 -13.806 4.039 17.983 1.00 0.00 C ATOM 684 CD1 TRP A 50 -14.484 5.170 18.285 1.00 0.00 C ATOM 685 CD2 TRP A 50 -14.159 3.065 19.005 1.00 0.00 C ATOM 686 NE1 TRP A 50 -15.229 4.951 19.429 1.00 0.00 N ATOM 687 CE2 TRP A 50 -15.063 3.668 19.910 1.00 0.00 C ATOM 688 CE3 TRP A 50 -13.784 1.730 19.231 1.00 0.00 C ATOM 689 CZ2 TRP A 50 -15.577 2.971 21.001 1.00 0.00 C ATOM 690 CZ3 TRP A 50 -14.300 1.022 20.327 1.00 0.00 C ATOM 691 CH2 TRP A 50 -15.195 1.642 21.211 1.00 0.00 C ATOM 0 H TRP A 50 -11.967 6.086 17.092 1.00 0.00 H new ATOM 0 HA TRP A 50 -11.223 3.418 18.154 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -13.120 4.610 16.050 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -13.036 2.888 16.365 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -14.449 6.093 17.725 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -15.828 5.652 19.864 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -13.094 1.245 18.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -16.265 3.453 21.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -14.007 -0.004 20.491 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -15.589 1.093 22.054 1.00 0.00 H new ATOM 702 N SER A 51 -9.941 2.397 16.275 1.00 0.00 N ATOM 703 CA SER A 51 -8.996 1.925 15.223 1.00 0.00 C ATOM 704 C SER A 51 -9.175 0.426 14.950 1.00 0.00 C ATOM 705 O SER A 51 -9.708 -0.310 15.756 1.00 0.00 O ATOM 706 CB SER A 51 -7.606 2.200 15.794 1.00 0.00 C ATOM 707 OG SER A 51 -7.202 1.101 16.602 1.00 0.00 O ATOM 0 H SER A 51 -10.110 1.741 17.038 1.00 0.00 H new ATOM 0 HA SER A 51 -9.164 2.432 14.273 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.892 2.353 14.985 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.618 3.116 16.385 1.00 0.00 H new ATOM 0 HG SER A 51 -7.773 1.052 17.397 1.00 0.00 H new ATOM 713 N ASP A 52 -8.716 -0.021 13.813 1.00 0.00 N ATOM 714 CA ASP A 52 -8.829 -1.466 13.455 1.00 0.00 C ATOM 715 C ASP A 52 -10.286 -1.930 13.456 1.00 0.00 C ATOM 716 O ASP A 52 -10.677 -2.765 14.247 1.00 0.00 O ATOM 717 CB ASP A 52 -8.027 -2.210 14.522 1.00 0.00 C ATOM 718 CG ASP A 52 -7.372 -3.445 13.901 1.00 0.00 C ATOM 719 OD1 ASP A 52 -6.825 -3.320 12.817 1.00 0.00 O ATOM 720 OD2 ASP A 52 -7.428 -4.495 14.520 1.00 0.00 O ATOM 0 H ASP A 52 -8.262 0.560 13.108 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.452 -1.656 12.450 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.265 -1.554 14.942 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.681 -2.506 15.343 1.00 0.00 H new ATOM 725 N PRO A 53 -11.029 -1.378 12.545 1.00 0.00 N ATOM 726 CA PRO A 53 -12.452 -1.727 12.387 1.00 0.00 C ATOM 727 C PRO A 53 -12.595 -2.875 11.384 1.00 0.00 C ATOM 728 O PRO A 53 -11.989 -2.855 10.331 1.00 0.00 O ATOM 729 CB PRO A 53 -13.053 -0.448 11.822 1.00 0.00 C ATOM 730 CG PRO A 53 -11.918 0.266 11.134 1.00 0.00 C ATOM 731 CD PRO A 53 -10.617 -0.368 11.581 1.00 0.00 C ATOM 0 HA PRO A 53 -12.931 -2.056 13.309 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -13.858 -0.670 11.121 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -13.480 0.167 12.614 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -12.024 0.193 10.052 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -11.929 1.327 11.384 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -10.081 -0.812 10.742 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -9.950 0.366 12.033 1.00 0.00 H new ATOM 739 N PRO A 54 -13.393 -3.841 11.741 1.00 0.00 N ATOM 740 CA PRO A 54 -13.610 -5.003 10.855 1.00 0.00 C ATOM 741 C PRO A 54 -14.641 -4.663 9.775 1.00 0.00 C ATOM 742 O PRO A 54 -15.223 -3.596 9.771 1.00 0.00 O ATOM 743 CB PRO A 54 -14.121 -6.080 11.805 1.00 0.00 C ATOM 744 CG PRO A 54 -14.734 -5.343 12.961 1.00 0.00 C ATOM 745 CD PRO A 54 -14.156 -3.944 12.987 1.00 0.00 C ATOM 0 HA PRO A 54 -12.715 -5.317 10.317 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -14.855 -6.719 11.314 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -13.309 -6.726 12.139 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -15.818 -5.305 12.856 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.522 -5.860 13.897 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -14.942 -3.190 13.035 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -13.517 -3.794 13.857 1.00 0.00 H new ATOM 753 N THR A 55 -14.851 -5.551 8.844 1.00 0.00 N ATOM 754 CA THR A 55 -15.817 -5.273 7.747 1.00 0.00 C ATOM 755 C THR A 55 -17.008 -6.225 7.796 1.00 0.00 C ATOM 756 O THR A 55 -16.869 -7.406 8.042 1.00 0.00 O ATOM 757 CB THR A 55 -15.020 -5.520 6.467 1.00 0.00 C ATOM 758 OG1 THR A 55 -14.258 -6.708 6.613 1.00 0.00 O ATOM 759 CG2 THR A 55 -14.078 -4.346 6.217 1.00 0.00 C ATOM 0 H THR A 55 -14.393 -6.461 8.796 1.00 0.00 H new ATOM 0 HA THR A 55 -16.222 -4.264 7.818 1.00 0.00 H new ATOM 0 HB THR A 55 -15.705 -5.622 5.626 1.00 0.00 H new ATOM 0 HG1 THR A 55 -13.873 -6.958 5.747 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.510 -4.523 5.304 1.00 0.00 H new ATOM 0 HG22 THR A 55 -14.659 -3.430 6.111 1.00 0.00 H new ATOM 0 HG23 THR A 55 -13.391 -4.245 7.057 1.00 0.00 H new ATOM 767 N CYS A 56 -18.174 -5.718 7.523 1.00 0.00 N ATOM 768 CA CYS A 56 -19.378 -6.586 7.507 1.00 0.00 C ATOM 769 C CYS A 56 -19.774 -6.816 6.058 1.00 0.00 C ATOM 770 O CYS A 56 -20.690 -6.211 5.537 1.00 0.00 O ATOM 771 CB CYS A 56 -20.449 -5.807 8.268 1.00 0.00 C ATOM 772 SG CYS A 56 -20.063 -5.843 10.034 1.00 0.00 S ATOM 0 H CYS A 56 -18.345 -4.735 7.309 1.00 0.00 H new ATOM 0 HA CYS A 56 -19.222 -7.562 7.967 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -20.489 -4.777 7.913 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -21.431 -6.244 8.089 1.00 0.00 H new ATOM 777 N GLN A 57 -19.053 -7.672 5.399 1.00 0.00 N ATOM 778 CA GLN A 57 -19.331 -7.942 3.967 1.00 0.00 C ATOM 779 C GLN A 57 -19.741 -9.395 3.765 1.00 0.00 C ATOM 780 O GLN A 57 -19.743 -10.187 4.686 1.00 0.00 O ATOM 781 CB GLN A 57 -18.012 -7.671 3.220 1.00 0.00 C ATOM 782 CG GLN A 57 -16.869 -7.329 4.186 1.00 0.00 C ATOM 783 CD GLN A 57 -15.691 -6.752 3.399 1.00 0.00 C ATOM 784 OE1 GLN A 57 -15.358 -5.593 3.545 1.00 0.00 O ATOM 785 NE2 GLN A 57 -15.042 -7.516 2.564 1.00 0.00 N ATOM 0 H GLN A 57 -18.276 -8.201 5.795 1.00 0.00 H new ATOM 0 HA GLN A 57 -20.145 -7.316 3.602 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -17.741 -8.548 2.632 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -18.154 -6.848 2.519 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -17.210 -6.609 4.930 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -16.556 -8.222 4.727 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -15.321 -8.489 2.441 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -14.256 -7.140 2.034 1.00 0.00 H new ATOM 794 N ILE A 58 -20.060 -9.756 2.557 1.00 0.00 N ATOM 795 CA ILE A 58 -20.439 -11.166 2.284 1.00 0.00 C ATOM 796 C ILE A 58 -19.171 -11.912 1.879 1.00 0.00 C ATOM 797 O ILE A 58 -18.261 -11.332 1.322 1.00 0.00 O ATOM 798 CB ILE A 58 -21.464 -11.154 1.132 1.00 0.00 C ATOM 799 CG1 ILE A 58 -22.049 -9.750 0.908 1.00 0.00 C ATOM 800 CG2 ILE A 58 -22.607 -12.102 1.483 1.00 0.00 C ATOM 801 CD1 ILE A 58 -21.237 -9.026 -0.168 1.00 0.00 C ATOM 0 H ILE A 58 -20.075 -9.136 1.747 1.00 0.00 H new ATOM 0 HA ILE A 58 -20.880 -11.656 3.152 1.00 0.00 H new ATOM 0 HB ILE A 58 -20.954 -11.466 0.220 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -23.093 -9.824 0.603 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -22.028 -9.183 1.838 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -23.340 -12.103 0.676 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -22.215 -13.110 1.619 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -23.084 -11.771 2.406 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -21.651 -8.030 -0.328 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -20.200 -8.940 0.155 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -21.281 -9.591 -1.099 1.00 0.00 H new ATOM 813 N VAL A 59 -19.072 -13.173 2.177 1.00 0.00 N ATOM 814 CA VAL A 59 -17.821 -13.893 1.822 1.00 0.00 C ATOM 815 C VAL A 59 -18.104 -15.174 1.067 1.00 0.00 C ATOM 816 O VAL A 59 -17.541 -16.211 1.349 1.00 0.00 O ATOM 817 CB VAL A 59 -17.167 -14.194 3.158 1.00 0.00 C ATOM 818 CG1 VAL A 59 -17.046 -12.895 3.954 1.00 0.00 C ATOM 819 CG2 VAL A 59 -18.036 -15.190 3.918 1.00 0.00 C ATOM 0 H VAL A 59 -19.789 -13.730 2.643 1.00 0.00 H new ATOM 0 HA VAL A 59 -17.187 -13.299 1.164 1.00 0.00 H new ATOM 0 HB VAL A 59 -16.175 -14.619 3.008 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -16.577 -13.100 4.916 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -16.436 -12.183 3.398 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -18.038 -12.474 4.116 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -17.576 -15.414 4.880 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -19.025 -14.761 4.080 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -18.129 -16.108 3.338 1.00 0.00 H new ATOM 829 N LYS A 60 -18.932 -15.106 0.083 1.00 0.00 N ATOM 830 CA LYS A 60 -19.204 -16.330 -0.712 1.00 0.00 C ATOM 831 C LYS A 60 -18.122 -16.433 -1.790 1.00 0.00 C ATOM 832 O LYS A 60 -17.457 -15.463 -2.084 1.00 0.00 O ATOM 833 CB LYS A 60 -20.586 -16.132 -1.337 1.00 0.00 C ATOM 834 CG LYS A 60 -21.598 -15.764 -0.251 1.00 0.00 C ATOM 835 CD LYS A 60 -22.422 -17.000 0.120 1.00 0.00 C ATOM 836 CE LYS A 60 -23.909 -16.711 -0.102 1.00 0.00 C ATOM 837 NZ LYS A 60 -24.561 -18.051 -0.156 1.00 0.00 N ATOM 0 H LYS A 60 -19.433 -14.267 -0.210 1.00 0.00 H new ATOM 0 HA LYS A 60 -19.190 -17.243 -0.117 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -20.545 -15.345 -2.090 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -20.899 -17.044 -1.845 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -21.080 -15.382 0.629 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -22.254 -14.969 -0.605 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -22.112 -17.851 -0.486 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -22.245 -17.269 1.161 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -24.318 -16.106 0.707 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -24.069 -16.157 -1.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -25.583 -17.934 -0.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -24.157 -18.602 -0.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -24.398 -18.553 0.740 1.00 0.00 H new ATOM 851 N CYS A 61 -17.903 -17.579 -2.371 1.00 0.00 N ATOM 852 CA CYS A 61 -16.815 -17.657 -3.390 1.00 0.00 C ATOM 853 C CYS A 61 -17.224 -18.426 -4.641 1.00 0.00 C ATOM 854 O CYS A 61 -18.217 -19.124 -4.663 1.00 0.00 O ATOM 855 CB CYS A 61 -15.685 -18.382 -2.673 1.00 0.00 C ATOM 856 SG CYS A 61 -14.957 -17.254 -1.470 1.00 0.00 S ATOM 0 H CYS A 61 -18.413 -18.444 -2.193 1.00 0.00 H new ATOM 0 HA CYS A 61 -16.542 -16.664 -3.746 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -16.063 -19.275 -2.175 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -14.931 -18.711 -3.389 1.00 0.00 H new ATOM 861 N PRO A 62 -16.402 -18.265 -5.645 1.00 0.00 N ATOM 862 CA PRO A 62 -16.617 -18.946 -6.946 1.00 0.00 C ATOM 863 C PRO A 62 -16.446 -20.455 -6.791 1.00 0.00 C ATOM 864 O PRO A 62 -17.390 -21.183 -6.553 1.00 0.00 O ATOM 865 CB PRO A 62 -15.510 -18.366 -7.832 1.00 0.00 C ATOM 866 CG PRO A 62 -14.458 -17.906 -6.880 1.00 0.00 C ATOM 867 CD PRO A 62 -15.190 -17.433 -5.659 1.00 0.00 C ATOM 0 HA PRO A 62 -17.616 -18.792 -7.354 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -15.120 -19.117 -8.519 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -15.882 -17.541 -8.439 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -13.771 -18.716 -6.635 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -13.862 -17.103 -7.314 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -14.596 -17.572 -4.755 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -15.432 -16.372 -5.721 1.00 0.00 H new ATOM 875 N HIS A 63 -15.242 -20.924 -6.927 1.00 0.00 N ATOM 876 CA HIS A 63 -14.975 -22.375 -6.796 1.00 0.00 C ATOM 877 C HIS A 63 -13.473 -22.587 -6.674 1.00 0.00 C ATOM 878 O HIS A 63 -12.708 -22.035 -7.440 1.00 0.00 O ATOM 879 CB HIS A 63 -15.481 -22.988 -8.093 1.00 0.00 C ATOM 880 CG HIS A 63 -16.629 -23.915 -7.808 1.00 0.00 C ATOM 881 ND1 HIS A 63 -17.532 -24.299 -8.786 1.00 0.00 N ATOM 882 CD2 HIS A 63 -17.027 -24.551 -6.661 1.00 0.00 C ATOM 883 CE1 HIS A 63 -18.421 -25.132 -8.214 1.00 0.00 C ATOM 884 NE2 HIS A 63 -18.158 -25.320 -6.918 1.00 0.00 N ATOM 0 H HIS A 63 -14.420 -20.353 -7.126 1.00 0.00 H new ATOM 0 HA HIS A 63 -15.455 -22.818 -5.924 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -15.799 -22.201 -8.777 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -14.676 -23.533 -8.586 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -16.537 -24.468 -5.702 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -19.246 -25.592 -8.738 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -18.675 -25.902 -6.259 1.00 0.00 H new ATOM 892 N PRO A 64 -13.093 -23.377 -5.719 1.00 0.00 N ATOM 893 CA PRO A 64 -11.660 -23.648 -5.515 1.00 0.00 C ATOM 894 C PRO A 64 -11.181 -24.620 -6.588 1.00 0.00 C ATOM 895 O PRO A 64 -10.812 -25.744 -6.313 1.00 0.00 O ATOM 896 CB PRO A 64 -11.610 -24.276 -4.133 1.00 0.00 C ATOM 897 CG PRO A 64 -12.965 -24.877 -3.922 1.00 0.00 C ATOM 898 CD PRO A 64 -13.941 -24.087 -4.756 1.00 0.00 C ATOM 0 HA PRO A 64 -11.023 -22.766 -5.584 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -10.830 -25.035 -4.074 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -11.388 -23.530 -3.370 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -12.970 -25.927 -4.216 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -13.242 -24.840 -2.868 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.656 -24.739 -5.258 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.518 -23.393 -4.145 1.00 0.00 H new ATOM 906 N THR A 65 -11.207 -24.191 -7.816 1.00 0.00 N ATOM 907 CA THR A 65 -10.778 -25.077 -8.932 1.00 0.00 C ATOM 908 C THR A 65 -9.264 -25.049 -9.096 1.00 0.00 C ATOM 909 O THR A 65 -8.587 -24.178 -8.586 1.00 0.00 O ATOM 910 CB THR A 65 -11.456 -24.500 -10.171 1.00 0.00 C ATOM 911 OG1 THR A 65 -11.797 -23.141 -9.934 1.00 0.00 O ATOM 912 CG2 THR A 65 -12.719 -25.300 -10.468 1.00 0.00 C ATOM 0 H THR A 65 -11.509 -23.258 -8.097 1.00 0.00 H new ATOM 0 HA THR A 65 -11.052 -26.117 -8.754 1.00 0.00 H new ATOM 0 HB THR A 65 -10.778 -24.558 -11.023 1.00 0.00 H new ATOM 0 HG1 THR A 65 -12.231 -22.769 -10.730 1.00 0.00 H new ATOM 0 HG21 THR A 65 -13.208 -24.892 -11.353 1.00 0.00 H new ATOM 0 HG22 THR A 65 -12.456 -26.343 -10.647 1.00 0.00 H new ATOM 0 HG23 THR A 65 -13.397 -25.238 -9.617 1.00 0.00 H new ATOM 920 N ILE A 66 -8.726 -25.997 -9.810 1.00 0.00 N ATOM 921 CA ILE A 66 -7.252 -26.022 -10.013 1.00 0.00 C ATOM 922 C ILE A 66 -6.891 -26.957 -11.173 1.00 0.00 C ATOM 923 O ILE A 66 -7.690 -27.758 -11.615 1.00 0.00 O ATOM 924 CB ILE A 66 -6.651 -26.511 -8.677 1.00 0.00 C ATOM 925 CG1 ILE A 66 -5.355 -27.291 -8.922 1.00 0.00 C ATOM 926 CG2 ILE A 66 -7.643 -27.410 -7.934 1.00 0.00 C ATOM 927 CD1 ILE A 66 -4.646 -27.514 -7.588 1.00 0.00 C ATOM 0 H ILE A 66 -9.241 -26.753 -10.260 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.857 -25.041 -10.277 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.435 -25.632 -8.069 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.576 -28.248 -9.395 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.708 -26.740 -9.604 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.200 -27.743 -6.996 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.555 -26.851 -7.726 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.881 -28.277 -8.551 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.723 -28.069 -7.755 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.414 -26.551 -7.134 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.295 -28.082 -6.922 1.00 0.00 H new ATOM 939 N SER A 67 -5.689 -26.848 -11.669 1.00 0.00 N ATOM 940 CA SER A 67 -5.263 -27.715 -12.806 1.00 0.00 C ATOM 941 C SER A 67 -5.012 -29.150 -12.333 1.00 0.00 C ATOM 942 O SER A 67 -4.020 -29.441 -11.694 1.00 0.00 O ATOM 943 CB SER A 67 -3.968 -27.086 -13.312 1.00 0.00 C ATOM 944 OG SER A 67 -3.522 -27.789 -14.464 1.00 0.00 O ATOM 0 H SER A 67 -4.981 -26.194 -11.335 1.00 0.00 H new ATOM 0 HA SER A 67 -6.026 -27.774 -13.582 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.131 -26.036 -13.553 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.206 -27.120 -12.534 1.00 0.00 H new ATOM 0 HG SER A 67 -2.691 -27.386 -14.792 1.00 0.00 H new ATOM 950 N ASN A 68 -5.900 -30.049 -12.655 1.00 0.00 N ATOM 951 CA ASN A 68 -5.716 -31.470 -12.243 1.00 0.00 C ATOM 952 C ASN A 68 -5.214 -31.560 -10.799 1.00 0.00 C ATOM 953 O ASN A 68 -4.548 -32.501 -10.424 1.00 0.00 O ATOM 954 CB ASN A 68 -4.663 -32.021 -13.206 1.00 0.00 C ATOM 955 CG ASN A 68 -5.351 -32.626 -14.431 1.00 0.00 C ATOM 956 OD1 ASN A 68 -6.276 -33.404 -14.301 1.00 0.00 O ATOM 957 ND2 ASN A 68 -4.937 -32.300 -15.626 1.00 0.00 N ATOM 0 H ASN A 68 -6.749 -29.860 -13.188 1.00 0.00 H new ATOM 0 HA ASN A 68 -6.651 -32.029 -12.282 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -3.985 -31.225 -13.514 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -4.059 -32.778 -12.705 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -5.390 -32.698 -16.449 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.161 -31.647 -15.736 1.00 0.00 H new ATOM 964 N GLY A 69 -5.526 -30.596 -9.981 1.00 0.00 N ATOM 965 CA GLY A 69 -5.055 -30.653 -8.568 1.00 0.00 C ATOM 966 C GLY A 69 -6.204 -30.290 -7.629 1.00 0.00 C ATOM 967 O GLY A 69 -6.004 -29.691 -6.593 1.00 0.00 O ATOM 0 H GLY A 69 -6.082 -29.777 -10.225 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.686 -31.652 -8.337 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.223 -29.964 -8.424 1.00 0.00 H new ATOM 971 N TYR A 70 -7.406 -30.637 -7.999 1.00 0.00 N ATOM 972 CA TYR A 70 -8.591 -30.313 -7.151 1.00 0.00 C ATOM 973 C TYR A 70 -8.350 -30.618 -5.687 1.00 0.00 C ATOM 974 O TYR A 70 -7.283 -31.008 -5.268 1.00 0.00 O ATOM 975 CB TYR A 70 -9.732 -31.189 -7.660 1.00 0.00 C ATOM 976 CG TYR A 70 -9.483 -32.643 -7.304 1.00 0.00 C ATOM 977 CD1 TYR A 70 -8.432 -33.353 -7.904 1.00 0.00 C ATOM 978 CD2 TYR A 70 -10.315 -33.286 -6.376 1.00 0.00 C ATOM 979 CE1 TYR A 70 -8.216 -34.697 -7.577 1.00 0.00 C ATOM 980 CE2 TYR A 70 -10.096 -34.630 -6.049 1.00 0.00 C ATOM 981 CZ TYR A 70 -9.047 -35.335 -6.650 1.00 0.00 C ATOM 982 OH TYR A 70 -8.832 -36.660 -6.329 1.00 0.00 O ATOM 0 H TYR A 70 -7.621 -31.137 -8.862 1.00 0.00 H new ATOM 0 HA TYR A 70 -8.811 -29.248 -7.221 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -10.675 -30.858 -7.225 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -9.825 -31.084 -8.741 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.789 -32.862 -8.619 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -11.126 -32.744 -5.913 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -7.407 -35.242 -8.041 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -10.737 -35.123 -5.333 1.00 0.00 H new ATOM 0 HH TYR A 70 -9.497 -36.949 -5.669 1.00 0.00 H new ATOM 992 N LEU A 71 -9.370 -30.446 -4.914 1.00 0.00 N ATOM 993 CA LEU A 71 -9.255 -30.719 -3.456 1.00 0.00 C ATOM 994 C LEU A 71 -10.076 -31.951 -3.071 1.00 0.00 C ATOM 995 O LEU A 71 -10.958 -32.378 -3.789 1.00 0.00 O ATOM 996 CB LEU A 71 -9.741 -29.442 -2.730 1.00 0.00 C ATOM 997 CG LEU A 71 -11.088 -28.921 -3.267 1.00 0.00 C ATOM 998 CD1 LEU A 71 -10.850 -28.079 -4.515 1.00 0.00 C ATOM 999 CD2 LEU A 71 -12.041 -30.073 -3.598 1.00 0.00 C ATOM 0 H LEU A 71 -10.288 -30.126 -5.224 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.228 -30.944 -3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.837 -29.651 -1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.988 -28.661 -2.835 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.550 -28.312 -2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.804 -27.711 -4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.208 -27.234 -4.267 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.368 -28.689 -5.279 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.982 -29.670 -3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.590 -30.712 -4.358 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.231 -30.658 -2.698 1.00 0.00 H new ATOM 1011 N SER A 72 -9.778 -32.537 -1.949 1.00 0.00 N ATOM 1012 CA SER A 72 -10.530 -33.746 -1.525 1.00 0.00 C ATOM 1013 C SER A 72 -10.914 -33.627 -0.048 1.00 0.00 C ATOM 1014 O SER A 72 -11.005 -34.609 0.661 1.00 0.00 O ATOM 1015 CB SER A 72 -9.558 -34.906 -1.736 1.00 0.00 C ATOM 1016 OG SER A 72 -9.943 -35.997 -0.910 1.00 0.00 O ATOM 0 H SER A 72 -9.047 -32.231 -1.307 1.00 0.00 H new ATOM 0 HA SER A 72 -11.454 -33.883 -2.086 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.558 -35.210 -2.783 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.542 -34.593 -1.495 1.00 0.00 H new ATOM 0 HG SER A 72 -10.809 -35.803 -0.494 1.00 0.00 H new ATOM 1022 N SER A 73 -11.130 -32.428 0.421 1.00 0.00 N ATOM 1023 CA SER A 73 -11.498 -32.241 1.854 1.00 0.00 C ATOM 1024 C SER A 73 -12.994 -31.952 1.994 1.00 0.00 C ATOM 1025 O SER A 73 -13.781 -32.828 2.296 1.00 0.00 O ATOM 1026 CB SER A 73 -10.677 -31.038 2.318 1.00 0.00 C ATOM 1027 OG SER A 73 -11.063 -30.687 3.640 1.00 0.00 O ATOM 0 H SER A 73 -11.068 -31.570 -0.126 1.00 0.00 H new ATOM 0 HA SER A 73 -11.295 -33.133 2.447 1.00 0.00 H new ATOM 0 HB2 SER A 73 -9.614 -31.276 2.288 1.00 0.00 H new ATOM 0 HB3 SER A 73 -10.834 -30.195 1.645 1.00 0.00 H new ATOM 0 HG SER A 73 -10.537 -29.917 3.941 1.00 0.00 H new ATOM 1033 N GLY A 74 -13.391 -30.728 1.784 1.00 0.00 N ATOM 1034 CA GLY A 74 -14.834 -30.381 1.912 1.00 0.00 C ATOM 1035 C GLY A 74 -15.193 -29.283 0.910 1.00 0.00 C ATOM 1036 O GLY A 74 -15.181 -28.111 1.226 1.00 0.00 O ATOM 0 H GLY A 74 -12.779 -29.953 1.529 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -15.447 -31.264 1.733 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -15.048 -30.045 2.926 1.00 0.00 H new ATOM 1040 N PHE A 75 -15.518 -29.658 -0.295 1.00 0.00 N ATOM 1041 CA PHE A 75 -15.886 -28.642 -1.322 1.00 0.00 C ATOM 1042 C PHE A 75 -17.411 -28.469 -1.355 1.00 0.00 C ATOM 1043 O PHE A 75 -18.146 -29.266 -0.807 1.00 0.00 O ATOM 1044 CB PHE A 75 -15.338 -29.214 -2.641 1.00 0.00 C ATOM 1045 CG PHE A 75 -16.231 -28.845 -3.809 1.00 0.00 C ATOM 1046 CD1 PHE A 75 -17.480 -29.461 -3.962 1.00 0.00 C ATOM 1047 CD2 PHE A 75 -15.804 -27.891 -4.739 1.00 0.00 C ATOM 1048 CE1 PHE A 75 -18.302 -29.120 -5.043 1.00 0.00 C ATOM 1049 CE2 PHE A 75 -16.626 -27.550 -5.820 1.00 0.00 C ATOM 1050 CZ PHE A 75 -17.875 -28.165 -5.972 1.00 0.00 C ATOM 0 H PHE A 75 -15.545 -30.626 -0.615 1.00 0.00 H new ATOM 0 HA PHE A 75 -15.475 -27.652 -1.122 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -14.331 -28.834 -2.815 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -15.261 -30.299 -2.566 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -17.809 -30.199 -3.246 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -14.840 -27.418 -4.623 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -19.265 -29.594 -5.160 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -16.297 -26.812 -6.537 1.00 0.00 H new ATOM 0 HZ PHE A 75 -18.508 -27.902 -6.806 1.00 0.00 H new ATOM 1060 N LYS A 76 -17.889 -27.432 -1.988 1.00 0.00 N ATOM 1061 CA LYS A 76 -19.363 -27.210 -2.048 1.00 0.00 C ATOM 1062 C LYS A 76 -19.704 -26.226 -3.170 1.00 0.00 C ATOM 1063 O LYS A 76 -18.873 -25.455 -3.605 1.00 0.00 O ATOM 1064 CB LYS A 76 -19.723 -26.614 -0.687 1.00 0.00 C ATOM 1065 CG LYS A 76 -21.231 -26.721 -0.462 1.00 0.00 C ATOM 1066 CD LYS A 76 -21.755 -25.399 0.103 1.00 0.00 C ATOM 1067 CE LYS A 76 -23.244 -25.256 -0.222 1.00 0.00 C ATOM 1068 NZ LYS A 76 -23.842 -24.628 0.989 1.00 0.00 N ATOM 0 H LYS A 76 -17.324 -26.730 -2.466 1.00 0.00 H new ATOM 0 HA LYS A 76 -19.913 -28.128 -2.253 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -19.189 -27.140 0.104 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -19.412 -25.570 -0.642 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -21.734 -26.953 -1.401 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -21.450 -27.536 0.227 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -21.603 -25.367 1.182 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -21.198 -24.564 -0.322 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -23.398 -24.636 -1.105 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -23.698 -26.225 -0.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -24.863 -24.497 0.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -23.686 -25.244 1.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -23.395 -23.704 1.158 1.00 0.00 H new ATOM 1082 N ARG A 77 -20.921 -26.242 -3.643 1.00 0.00 N ATOM 1083 CA ARG A 77 -21.305 -25.300 -4.733 1.00 0.00 C ATOM 1084 C ARG A 77 -20.905 -23.874 -4.353 1.00 0.00 C ATOM 1085 O ARG A 77 -20.544 -23.072 -5.192 1.00 0.00 O ATOM 1086 CB ARG A 77 -22.824 -25.424 -4.848 1.00 0.00 C ATOM 1087 CG ARG A 77 -23.172 -26.556 -5.816 1.00 0.00 C ATOM 1088 CD ARG A 77 -24.497 -26.243 -6.514 1.00 0.00 C ATOM 1089 NE ARG A 77 -24.178 -25.150 -7.473 1.00 0.00 N ATOM 1090 CZ ARG A 77 -23.490 -25.407 -8.551 1.00 0.00 C ATOM 1091 NH1 ARG A 77 -23.981 -26.198 -9.465 1.00 0.00 N ATOM 1092 NH2 ARG A 77 -22.312 -24.872 -8.716 1.00 0.00 N ATOM 0 H ARG A 77 -21.663 -26.864 -3.323 1.00 0.00 H new ATOM 0 HA ARG A 77 -20.810 -25.529 -5.677 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -23.258 -25.623 -3.868 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -23.250 -24.485 -5.201 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -22.379 -26.674 -6.554 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -23.247 -27.500 -5.276 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -24.888 -27.120 -7.030 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -25.256 -25.930 -5.797 1.00 0.00 H new ATOM 0 HE ARG A 77 -24.498 -24.199 -7.287 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -24.903 -26.615 -9.337 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -23.443 -26.399 -10.308 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -21.929 -24.253 -8.002 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -21.774 -25.073 -9.559 1.00 0.00 H new ATOM 1106 N SER A 78 -20.962 -23.556 -3.090 1.00 0.00 N ATOM 1107 CA SER A 78 -20.580 -22.185 -2.643 1.00 0.00 C ATOM 1108 C SER A 78 -19.719 -22.269 -1.379 1.00 0.00 C ATOM 1109 O SER A 78 -19.532 -23.328 -0.816 1.00 0.00 O ATOM 1110 CB SER A 78 -21.902 -21.476 -2.351 1.00 0.00 C ATOM 1111 OG SER A 78 -22.752 -22.348 -1.617 1.00 0.00 O ATOM 0 H SER A 78 -21.257 -24.187 -2.345 1.00 0.00 H new ATOM 0 HA SER A 78 -19.995 -21.652 -3.393 1.00 0.00 H new ATOM 0 HB2 SER A 78 -21.721 -20.564 -1.783 1.00 0.00 H new ATOM 0 HB3 SER A 78 -22.383 -21.181 -3.283 1.00 0.00 H new ATOM 0 HG SER A 78 -23.600 -21.895 -1.427 1.00 0.00 H new ATOM 1117 N TYR A 79 -19.189 -21.164 -0.932 1.00 0.00 N ATOM 1118 CA TYR A 79 -18.336 -21.195 0.292 1.00 0.00 C ATOM 1119 C TYR A 79 -18.540 -19.928 1.127 1.00 0.00 C ATOM 1120 O TYR A 79 -19.417 -19.130 0.859 1.00 0.00 O ATOM 1121 CB TYR A 79 -16.904 -21.266 -0.232 1.00 0.00 C ATOM 1122 CG TYR A 79 -16.783 -22.406 -1.214 1.00 0.00 C ATOM 1123 CD1 TYR A 79 -16.496 -23.697 -0.753 1.00 0.00 C ATOM 1124 CD2 TYR A 79 -16.956 -22.175 -2.585 1.00 0.00 C ATOM 1125 CE1 TYR A 79 -16.381 -24.755 -1.660 1.00 0.00 C ATOM 1126 CE2 TYR A 79 -16.842 -23.235 -3.491 1.00 0.00 C ATOM 1127 CZ TYR A 79 -16.555 -24.523 -3.028 1.00 0.00 C ATOM 1128 OH TYR A 79 -16.442 -25.565 -3.921 1.00 0.00 O ATOM 0 H TYR A 79 -19.308 -20.245 -1.358 1.00 0.00 H new ATOM 0 HA TYR A 79 -18.581 -22.036 0.941 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -16.635 -20.326 -0.714 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -16.209 -21.410 0.596 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -16.363 -23.875 0.304 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -17.177 -21.180 -2.942 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -16.158 -25.750 -1.304 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -16.976 -23.059 -4.548 1.00 0.00 H new ATOM 0 HH TYR A 79 -15.763 -26.196 -3.603 1.00 0.00 H new ATOM 1138 N SER A 80 -17.736 -19.738 2.143 1.00 0.00 N ATOM 1139 CA SER A 80 -17.889 -18.522 2.996 1.00 0.00 C ATOM 1140 C SER A 80 -16.516 -18.042 3.509 1.00 0.00 C ATOM 1141 O SER A 80 -15.492 -18.340 2.941 1.00 0.00 O ATOM 1142 CB SER A 80 -18.767 -18.969 4.163 1.00 0.00 C ATOM 1143 OG SER A 80 -17.939 -19.320 5.265 1.00 0.00 O ATOM 0 H SER A 80 -16.984 -20.370 2.417 1.00 0.00 H new ATOM 0 HA SER A 80 -18.326 -17.689 2.446 1.00 0.00 H new ATOM 0 HB2 SER A 80 -19.450 -18.169 4.447 1.00 0.00 H new ATOM 0 HB3 SER A 80 -19.379 -19.821 3.867 1.00 0.00 H new ATOM 0 HG SER A 80 -18.499 -19.606 6.017 1.00 0.00 H new ATOM 1149 N TYR A 81 -16.487 -17.303 4.582 1.00 0.00 N ATOM 1150 CA TYR A 81 -15.182 -16.809 5.115 1.00 0.00 C ATOM 1151 C TYR A 81 -14.525 -17.883 6.004 1.00 0.00 C ATOM 1152 O TYR A 81 -14.289 -17.674 7.177 1.00 0.00 O ATOM 1153 CB TYR A 81 -15.562 -15.557 5.913 1.00 0.00 C ATOM 1154 CG TYR A 81 -14.462 -15.185 6.880 1.00 0.00 C ATOM 1155 CD1 TYR A 81 -13.128 -15.477 6.572 1.00 0.00 C ATOM 1156 CD2 TYR A 81 -14.779 -14.546 8.084 1.00 0.00 C ATOM 1157 CE1 TYR A 81 -12.111 -15.129 7.469 1.00 0.00 C ATOM 1158 CE2 TYR A 81 -13.762 -14.199 8.981 1.00 0.00 C ATOM 1159 CZ TYR A 81 -12.428 -14.491 8.673 1.00 0.00 C ATOM 1160 OH TYR A 81 -11.425 -14.148 9.557 1.00 0.00 O ATOM 0 H TYR A 81 -17.309 -17.018 5.115 1.00 0.00 H new ATOM 0 HA TYR A 81 -14.451 -16.588 4.337 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -15.749 -14.728 5.231 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -16.488 -15.735 6.459 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -12.884 -15.970 5.643 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -15.808 -14.321 8.321 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -11.082 -15.353 7.231 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -14.006 -13.706 9.910 1.00 0.00 H new ATOM 0 HH TYR A 81 -11.816 -13.712 10.342 1.00 0.00 H new ATOM 1170 N ASN A 82 -14.219 -19.038 5.445 1.00 0.00 N ATOM 1171 CA ASN A 82 -13.565 -20.128 6.253 1.00 0.00 C ATOM 1172 C ASN A 82 -13.695 -21.487 5.569 1.00 0.00 C ATOM 1173 O ASN A 82 -12.980 -22.409 5.900 1.00 0.00 O ATOM 1174 CB ASN A 82 -14.302 -20.159 7.585 1.00 0.00 C ATOM 1175 CG ASN A 82 -13.397 -19.611 8.690 1.00 0.00 C ATOM 1176 OD1 ASN A 82 -13.662 -18.561 9.242 1.00 0.00 O ATOM 1177 ND2 ASN A 82 -12.333 -20.280 9.040 1.00 0.00 N ATOM 0 H ASN A 82 -14.393 -19.272 4.468 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.500 -19.930 6.369 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -15.214 -19.565 7.521 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -14.603 -21.180 7.821 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -11.725 -19.922 9.776 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -12.110 -21.161 8.578 1.00 0.00 H new ATOM 1184 N ASP A 83 -14.580 -21.631 4.624 1.00 0.00 N ATOM 1185 CA ASP A 83 -14.700 -22.949 3.941 1.00 0.00 C ATOM 1186 C ASP A 83 -13.347 -23.303 3.322 1.00 0.00 C ATOM 1187 O ASP A 83 -13.090 -23.038 2.164 1.00 0.00 O ATOM 1188 CB ASP A 83 -15.766 -22.751 2.864 1.00 0.00 C ATOM 1189 CG ASP A 83 -17.151 -22.771 3.514 1.00 0.00 C ATOM 1190 OD1 ASP A 83 -17.211 -22.758 4.732 1.00 0.00 O ATOM 1191 OD2 ASP A 83 -18.127 -22.801 2.784 1.00 0.00 O ATOM 0 H ASP A 83 -15.218 -20.905 4.298 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.977 -23.760 4.615 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -15.607 -21.804 2.349 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -15.692 -23.538 2.114 1.00 0.00 H new ATOM 1196 N ASN A 84 -12.469 -23.868 4.104 1.00 0.00 N ATOM 1197 CA ASN A 84 -11.115 -24.206 3.591 1.00 0.00 C ATOM 1198 C ASN A 84 -11.149 -25.466 2.717 1.00 0.00 C ATOM 1199 O ASN A 84 -11.889 -26.393 2.978 1.00 0.00 O ATOM 1200 CB ASN A 84 -10.269 -24.445 4.846 1.00 0.00 C ATOM 1201 CG ASN A 84 -10.543 -25.847 5.400 1.00 0.00 C ATOM 1202 OD1 ASN A 84 -10.249 -26.834 4.755 1.00 0.00 O ATOM 1203 ND2 ASN A 84 -11.100 -25.978 6.572 1.00 0.00 N ATOM 0 H ASN A 84 -12.634 -24.111 5.081 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.712 -23.412 2.962 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -9.211 -24.339 4.607 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -10.502 -23.694 5.601 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -11.288 -26.908 6.946 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.347 -25.150 7.115 1.00 0.00 H new ATOM 1210 N VAL A 85 -10.334 -25.517 1.697 1.00 0.00 N ATOM 1211 CA VAL A 85 -10.301 -26.729 0.829 1.00 0.00 C ATOM 1212 C VAL A 85 -8.855 -27.149 0.567 1.00 0.00 C ATOM 1213 O VAL A 85 -8.093 -26.435 -0.053 1.00 0.00 O ATOM 1214 CB VAL A 85 -10.976 -26.340 -0.480 1.00 0.00 C ATOM 1215 CG1 VAL A 85 -12.480 -26.191 -0.253 1.00 0.00 C ATOM 1216 CG2 VAL A 85 -10.402 -25.017 -0.989 1.00 0.00 C ATOM 0 H VAL A 85 -9.691 -24.773 1.428 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.810 -27.568 1.304 1.00 0.00 H new ATOM 0 HB VAL A 85 -10.794 -27.117 -1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -12.963 -25.913 -1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -12.890 -27.137 0.100 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.660 -25.417 0.493 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -10.889 -24.745 -1.925 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.577 -24.236 -0.249 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.330 -25.126 -1.156 1.00 0.00 H new ATOM 1226 N ASP A 86 -8.480 -28.310 1.020 1.00 0.00 N ATOM 1227 CA ASP A 86 -7.087 -28.789 0.783 1.00 0.00 C ATOM 1228 C ASP A 86 -7.002 -29.344 -0.638 1.00 0.00 C ATOM 1229 O ASP A 86 -7.883 -30.048 -1.083 1.00 0.00 O ATOM 1230 CB ASP A 86 -6.858 -29.895 1.812 1.00 0.00 C ATOM 1231 CG ASP A 86 -5.386 -29.908 2.228 1.00 0.00 C ATOM 1232 OD1 ASP A 86 -4.786 -28.846 2.245 1.00 0.00 O ATOM 1233 OD2 ASP A 86 -4.884 -30.980 2.523 1.00 0.00 O ATOM 0 H ASP A 86 -9.076 -28.950 1.545 1.00 0.00 H new ATOM 0 HA ASP A 86 -6.339 -28.002 0.883 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.492 -29.732 2.684 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.137 -30.861 1.391 1.00 0.00 H new ATOM 1238 N PHE A 87 -5.976 -29.016 -1.368 1.00 0.00 N ATOM 1239 CA PHE A 87 -5.895 -29.509 -2.769 1.00 0.00 C ATOM 1240 C PHE A 87 -5.117 -30.818 -2.884 1.00 0.00 C ATOM 1241 O PHE A 87 -4.098 -31.023 -2.254 1.00 0.00 O ATOM 1242 CB PHE A 87 -5.227 -28.378 -3.538 1.00 0.00 C ATOM 1243 CG PHE A 87 -6.274 -27.320 -3.748 1.00 0.00 C ATOM 1244 CD1 PHE A 87 -7.277 -27.520 -4.702 1.00 0.00 C ATOM 1245 CD2 PHE A 87 -6.274 -26.166 -2.959 1.00 0.00 C ATOM 1246 CE1 PHE A 87 -8.282 -26.565 -4.867 1.00 0.00 C ATOM 1247 CE2 PHE A 87 -7.276 -25.206 -3.131 1.00 0.00 C ATOM 1248 CZ PHE A 87 -8.281 -25.410 -4.082 1.00 0.00 C ATOM 0 H PHE A 87 -5.197 -28.434 -1.060 1.00 0.00 H new ATOM 0 HA PHE A 87 -6.881 -29.749 -3.168 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.380 -27.979 -2.980 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.841 -28.735 -4.493 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.274 -28.412 -5.310 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.502 -26.016 -2.219 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.059 -26.719 -5.601 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.274 -24.308 -2.530 1.00 0.00 H new ATOM 0 HZ PHE A 87 -9.059 -24.672 -4.210 1.00 0.00 H new ATOM 1258 N LYS A 88 -5.621 -31.704 -3.697 1.00 0.00 N ATOM 1259 CA LYS A 88 -4.974 -33.026 -3.902 1.00 0.00 C ATOM 1260 C LYS A 88 -4.453 -33.134 -5.338 1.00 0.00 C ATOM 1261 O LYS A 88 -5.173 -33.523 -6.235 1.00 0.00 O ATOM 1262 CB LYS A 88 -6.107 -34.028 -3.680 1.00 0.00 C ATOM 1263 CG LYS A 88 -5.652 -35.113 -2.702 1.00 0.00 C ATOM 1264 CD LYS A 88 -6.763 -36.153 -2.532 1.00 0.00 C ATOM 1265 CE LYS A 88 -6.146 -37.552 -2.472 1.00 0.00 C ATOM 1266 NZ LYS A 88 -6.077 -38.001 -3.890 1.00 0.00 N ATOM 0 H LYS A 88 -6.473 -31.562 -4.239 1.00 0.00 H new ATOM 0 HA LYS A 88 -4.126 -33.192 -3.238 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -6.986 -33.517 -3.288 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.398 -34.479 -4.629 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.745 -35.592 -3.071 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -5.407 -34.668 -1.738 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -7.327 -35.953 -1.621 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -7.466 -36.089 -3.362 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.156 -37.528 -2.016 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -6.756 -38.228 -1.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -5.664 -38.955 -3.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -7.035 -38.020 -4.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -5.484 -37.342 -4.434 1.00 0.00 H new ATOM 1280 N CYS A 89 -3.215 -32.790 -5.569 1.00 0.00 N ATOM 1281 CA CYS A 89 -2.674 -32.876 -6.956 1.00 0.00 C ATOM 1282 C CYS A 89 -3.124 -34.177 -7.619 1.00 0.00 C ATOM 1283 O CYS A 89 -3.034 -35.240 -7.039 1.00 0.00 O ATOM 1284 CB CYS A 89 -1.155 -32.859 -6.804 1.00 0.00 C ATOM 1285 SG CYS A 89 -0.462 -31.672 -7.976 1.00 0.00 S ATOM 0 H CYS A 89 -2.559 -32.456 -4.863 1.00 0.00 H new ATOM 0 HA CYS A 89 -3.028 -32.056 -7.580 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -0.881 -32.586 -5.785 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.747 -33.853 -6.988 1.00 0.00 H new ATOM 1290 N LYS A 90 -3.614 -34.101 -8.828 1.00 0.00 N ATOM 1291 CA LYS A 90 -4.073 -35.344 -9.520 1.00 0.00 C ATOM 1292 C LYS A 90 -3.090 -36.491 -9.266 1.00 0.00 C ATOM 1293 O LYS A 90 -3.262 -37.284 -8.362 1.00 0.00 O ATOM 1294 CB LYS A 90 -4.100 -35.000 -11.010 1.00 0.00 C ATOM 1295 CG LYS A 90 -5.545 -34.763 -11.453 1.00 0.00 C ATOM 1296 CD LYS A 90 -5.932 -35.805 -12.505 1.00 0.00 C ATOM 1297 CE LYS A 90 -6.823 -36.874 -11.866 1.00 0.00 C ATOM 1298 NZ LYS A 90 -6.006 -38.119 -11.890 1.00 0.00 N ATOM 0 H LYS A 90 -3.716 -33.239 -9.364 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.049 -35.667 -9.158 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.500 -34.110 -11.200 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.659 -35.811 -11.589 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.215 -34.829 -10.596 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.651 -33.759 -11.864 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -6.458 -35.325 -13.331 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -5.036 -36.265 -12.922 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -7.098 -36.602 -10.847 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.751 -37.000 -12.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -6.549 -38.899 -11.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -5.765 -38.357 -12.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -5.132 -37.971 -11.345 1.00 0.00 H new ATOM 1312 N TYR A 91 -2.061 -36.583 -10.064 1.00 0.00 N ATOM 1313 CA TYR A 91 -1.062 -37.677 -9.882 1.00 0.00 C ATOM 1314 C TYR A 91 0.272 -37.285 -10.525 1.00 0.00 C ATOM 1315 O TYR A 91 0.322 -36.891 -11.672 1.00 0.00 O ATOM 1316 CB TYR A 91 -1.667 -38.879 -10.605 1.00 0.00 C ATOM 1317 CG TYR A 91 -1.182 -40.154 -9.960 1.00 0.00 C ATOM 1318 CD1 TYR A 91 0.100 -40.639 -10.246 1.00 0.00 C ATOM 1319 CD2 TYR A 91 -2.014 -40.853 -9.078 1.00 0.00 C ATOM 1320 CE1 TYR A 91 0.550 -41.823 -9.648 1.00 0.00 C ATOM 1321 CE2 TYR A 91 -1.565 -42.036 -8.480 1.00 0.00 C ATOM 1322 CZ TYR A 91 -0.283 -42.521 -8.766 1.00 0.00 C ATOM 1323 OH TYR A 91 0.160 -43.688 -8.177 1.00 0.00 O ATOM 0 H TYR A 91 -1.868 -35.946 -10.837 1.00 0.00 H new ATOM 0 HA TYR A 91 -0.861 -37.886 -8.831 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.755 -38.830 -10.565 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -1.386 -38.862 -11.658 1.00 0.00 H new ATOM 0 HD1 TYR A 91 0.742 -40.100 -10.928 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -3.003 -40.479 -8.859 1.00 0.00 H new ATOM 0 HE1 TYR A 91 1.539 -42.197 -9.867 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -2.207 -42.574 -7.798 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.540 -44.045 -7.592 1.00 0.00 H new ATOM 1333 N GLY A 92 1.353 -37.392 -9.801 1.00 0.00 N ATOM 1334 CA GLY A 92 2.674 -37.021 -10.387 1.00 0.00 C ATOM 1335 C GLY A 92 2.661 -35.538 -10.754 1.00 0.00 C ATOM 1336 O GLY A 92 2.880 -35.169 -11.890 1.00 0.00 O ATOM 0 H GLY A 92 1.380 -37.718 -8.835 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.472 -37.224 -9.673 1.00 0.00 H new ATOM 0 HA3 GLY A 92 2.876 -37.625 -11.271 1.00 0.00 H new ATOM 1340 N TYR A 93 2.396 -34.688 -9.800 1.00 0.00 N ATOM 1341 CA TYR A 93 2.352 -33.226 -10.085 1.00 0.00 C ATOM 1342 C TYR A 93 2.469 -32.435 -8.780 1.00 0.00 C ATOM 1343 O TYR A 93 2.016 -32.868 -7.738 1.00 0.00 O ATOM 1344 CB TYR A 93 0.981 -33.002 -10.720 1.00 0.00 C ATOM 1345 CG TYR A 93 0.987 -33.475 -12.154 1.00 0.00 C ATOM 1346 CD1 TYR A 93 1.857 -32.893 -13.083 1.00 0.00 C ATOM 1347 CD2 TYR A 93 0.117 -34.495 -12.554 1.00 0.00 C ATOM 1348 CE1 TYR A 93 1.855 -33.333 -14.413 1.00 0.00 C ATOM 1349 CE2 TYR A 93 0.116 -34.936 -13.883 1.00 0.00 C ATOM 1350 CZ TYR A 93 0.985 -34.354 -14.813 1.00 0.00 C ATOM 1351 OH TYR A 93 0.983 -34.784 -16.124 1.00 0.00 O ATOM 0 H TYR A 93 2.207 -34.945 -8.831 1.00 0.00 H new ATOM 0 HA TYR A 93 3.167 -32.899 -10.731 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.219 -33.539 -10.156 1.00 0.00 H new ATOM 0 HB3 TYR A 93 0.722 -31.944 -10.679 1.00 0.00 H new ATOM 0 HD1 TYR A 93 2.529 -32.106 -12.775 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -0.555 -34.943 -11.837 1.00 0.00 H new ATOM 0 HE1 TYR A 93 2.526 -32.884 -15.131 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -0.555 -35.725 -14.190 1.00 0.00 H new ATOM 0 HH TYR A 93 0.321 -35.499 -16.233 1.00 0.00 H new ATOM 1361 N LYS A 94 3.068 -31.279 -8.827 1.00 0.00 N ATOM 1362 CA LYS A 94 3.209 -30.461 -7.588 1.00 0.00 C ATOM 1363 C LYS A 94 2.167 -29.340 -7.585 1.00 0.00 C ATOM 1364 O LYS A 94 1.727 -28.893 -8.622 1.00 0.00 O ATOM 1365 CB LYS A 94 4.624 -29.888 -7.655 1.00 0.00 C ATOM 1366 CG LYS A 94 5.620 -31.020 -7.915 1.00 0.00 C ATOM 1367 CD LYS A 94 7.039 -30.533 -7.613 1.00 0.00 C ATOM 1368 CE LYS A 94 8.034 -31.269 -8.514 1.00 0.00 C ATOM 1369 NZ LYS A 94 8.912 -32.023 -7.577 1.00 0.00 N ATOM 0 H LYS A 94 3.467 -30.864 -9.669 1.00 0.00 H new ATOM 0 HA LYS A 94 3.052 -31.043 -6.680 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.689 -29.143 -8.448 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.868 -29.382 -6.721 1.00 0.00 H new ATOM 0 HG2 LYS A 94 5.379 -31.881 -7.291 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.550 -31.349 -8.952 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.109 -29.458 -7.778 1.00 0.00 H new ATOM 0 HD3 LYS A 94 7.281 -30.711 -6.565 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.522 -31.941 -9.203 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.610 -30.570 -9.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.623 -32.555 -8.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.391 -31.357 -6.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.336 -32.685 -7.018 1.00 0.00 H new ATOM 1383 N LEU A 95 1.762 -28.884 -6.432 1.00 0.00 N ATOM 1384 CA LEU A 95 0.741 -27.797 -6.390 1.00 0.00 C ATOM 1385 C LEU A 95 1.418 -26.427 -6.295 1.00 0.00 C ATOM 1386 O LEU A 95 1.623 -25.901 -5.219 1.00 0.00 O ATOM 1387 CB LEU A 95 -0.081 -28.062 -5.127 1.00 0.00 C ATOM 1388 CG LEU A 95 -1.082 -29.187 -5.387 1.00 0.00 C ATOM 1389 CD1 LEU A 95 -1.040 -30.181 -4.226 1.00 0.00 C ATOM 1390 CD2 LEU A 95 -2.492 -28.604 -5.501 1.00 0.00 C ATOM 0 H LEU A 95 2.090 -29.213 -5.524 1.00 0.00 H new ATOM 0 HA LEU A 95 0.125 -27.790 -7.289 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.579 -28.333 -4.303 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.608 -27.156 -4.828 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.822 -29.695 -6.316 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.753 -30.985 -4.409 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.037 -30.599 -4.141 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.300 -29.669 -3.299 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.204 -29.408 -5.686 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.752 -28.096 -4.572 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.526 -27.892 -6.326 1.00 0.00 H new ATOM 1402 N SER A 96 1.757 -25.837 -7.408 1.00 0.00 N ATOM 1403 CA SER A 96 2.405 -24.497 -7.360 1.00 0.00 C ATOM 1404 C SER A 96 1.374 -23.442 -6.949 1.00 0.00 C ATOM 1405 O SER A 96 0.493 -23.094 -7.710 1.00 0.00 O ATOM 1406 CB SER A 96 2.904 -24.236 -8.781 1.00 0.00 C ATOM 1407 OG SER A 96 3.766 -23.105 -8.774 1.00 0.00 O ATOM 0 H SER A 96 1.615 -26.222 -8.342 1.00 0.00 H new ATOM 0 HA SER A 96 3.220 -24.455 -6.637 1.00 0.00 H new ATOM 0 HB2 SER A 96 3.434 -25.110 -9.159 1.00 0.00 H new ATOM 0 HB3 SER A 96 2.061 -24.061 -9.449 1.00 0.00 H new ATOM 0 HG SER A 96 4.090 -22.935 -9.683 1.00 0.00 H new ATOM 1413 N GLY A 97 1.470 -22.937 -5.749 1.00 0.00 N ATOM 1414 CA GLY A 97 0.489 -21.911 -5.293 1.00 0.00 C ATOM 1415 C GLY A 97 0.138 -22.148 -3.823 1.00 0.00 C ATOM 1416 O GLY A 97 0.632 -21.475 -2.940 1.00 0.00 O ATOM 0 H GLY A 97 2.184 -23.190 -5.066 1.00 0.00 H new ATOM 0 HA2 GLY A 97 0.907 -20.913 -5.420 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -0.412 -21.959 -5.904 1.00 0.00 H new ATOM 1420 N SER A 98 -0.717 -23.095 -3.556 1.00 0.00 N ATOM 1421 CA SER A 98 -1.106 -23.371 -2.141 1.00 0.00 C ATOM 1422 C SER A 98 -1.969 -24.636 -2.055 1.00 0.00 C ATOM 1423 O SER A 98 -3.063 -24.692 -2.582 1.00 0.00 O ATOM 1424 CB SER A 98 -1.910 -22.147 -1.719 1.00 0.00 C ATOM 1425 OG SER A 98 -1.173 -21.414 -0.749 1.00 0.00 O ATOM 0 H SER A 98 -1.164 -23.690 -4.254 1.00 0.00 H new ATOM 0 HA SER A 98 -0.241 -23.541 -1.500 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.120 -21.519 -2.585 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.872 -22.453 -1.307 1.00 0.00 H new ATOM 0 HG SER A 98 -0.307 -21.152 -1.125 1.00 0.00 H new ATOM 1431 N SER A 99 -1.483 -25.650 -1.390 1.00 0.00 N ATOM 1432 CA SER A 99 -2.268 -26.914 -1.267 1.00 0.00 C ATOM 1433 C SER A 99 -3.505 -26.704 -0.390 1.00 0.00 C ATOM 1434 O SER A 99 -4.383 -27.539 -0.337 1.00 0.00 O ATOM 1435 CB SER A 99 -1.312 -27.907 -0.609 1.00 0.00 C ATOM 1436 OG SER A 99 -1.065 -27.501 0.731 1.00 0.00 O ATOM 0 H SER A 99 -0.575 -25.658 -0.926 1.00 0.00 H new ATOM 0 HA SER A 99 -2.629 -27.264 -2.234 1.00 0.00 H new ATOM 0 HB2 SER A 99 -1.742 -28.909 -0.625 1.00 0.00 H new ATOM 0 HB3 SER A 99 -0.376 -27.953 -1.166 1.00 0.00 H new ATOM 0 HG SER A 99 -0.453 -28.136 1.158 1.00 0.00 H new ATOM 1442 N SER A 100 -3.588 -25.603 0.299 1.00 0.00 N ATOM 1443 CA SER A 100 -4.779 -25.366 1.163 1.00 0.00 C ATOM 1444 C SER A 100 -5.298 -23.942 0.962 1.00 0.00 C ATOM 1445 O SER A 100 -4.536 -23.006 0.820 1.00 0.00 O ATOM 1446 CB SER A 100 -4.283 -25.568 2.593 1.00 0.00 C ATOM 1447 OG SER A 100 -3.496 -24.449 2.983 1.00 0.00 O ATOM 0 H SER A 100 -2.889 -24.860 0.303 1.00 0.00 H new ATOM 0 HA SER A 100 -5.603 -26.039 0.926 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.129 -25.685 3.270 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.693 -26.482 2.659 1.00 0.00 H new ATOM 0 HG SER A 100 -3.178 -24.577 3.901 1.00 0.00 H new ATOM 1453 N SER A 101 -6.591 -23.772 0.938 1.00 0.00 N ATOM 1454 CA SER A 101 -7.157 -22.407 0.733 1.00 0.00 C ATOM 1455 C SER A 101 -8.550 -22.303 1.331 1.00 0.00 C ATOM 1456 O SER A 101 -9.197 -23.289 1.618 1.00 0.00 O ATOM 1457 CB SER A 101 -7.212 -22.231 -0.783 1.00 0.00 C ATOM 1458 OG SER A 101 -5.890 -22.257 -1.307 1.00 0.00 O ATOM 0 H SER A 101 -7.279 -24.516 1.051 1.00 0.00 H new ATOM 0 HA SER A 101 -6.555 -21.639 1.218 1.00 0.00 H new ATOM 0 HB2 SER A 101 -7.809 -23.025 -1.231 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.697 -21.287 -1.034 1.00 0.00 H new ATOM 0 HG SER A 101 -5.246 -22.159 -0.575 1.00 0.00 H new ATOM 1464 N THR A 102 -9.008 -21.101 1.526 1.00 0.00 N ATOM 1465 CA THR A 102 -10.354 -20.900 2.113 1.00 0.00 C ATOM 1466 C THR A 102 -11.096 -19.805 1.355 1.00 0.00 C ATOM 1467 O THR A 102 -10.533 -18.786 1.006 1.00 0.00 O ATOM 1468 CB THR A 102 -10.083 -20.467 3.552 1.00 0.00 C ATOM 1469 OG1 THR A 102 -9.055 -21.278 4.102 1.00 0.00 O ATOM 1470 CG2 THR A 102 -11.353 -20.626 4.378 1.00 0.00 C ATOM 0 H THR A 102 -8.502 -20.244 1.302 1.00 0.00 H new ATOM 0 HA THR A 102 -10.973 -21.796 2.062 1.00 0.00 H new ATOM 0 HB THR A 102 -9.770 -19.423 3.566 1.00 0.00 H new ATOM 0 HG1 THR A 102 -8.878 -21.001 5.025 1.00 0.00 H new ATOM 0 HG21 THR A 102 -11.160 -20.317 5.405 1.00 0.00 H new ATOM 0 HG22 THR A 102 -12.143 -20.005 3.955 1.00 0.00 H new ATOM 0 HG23 THR A 102 -11.667 -21.670 4.366 1.00 0.00 H new ATOM 1478 N CYS A 103 -12.357 -20.006 1.099 1.00 0.00 N ATOM 1479 CA CYS A 103 -13.136 -18.974 0.367 1.00 0.00 C ATOM 1480 C CYS A 103 -12.797 -17.593 0.918 1.00 0.00 C ATOM 1481 O CYS A 103 -12.842 -16.598 0.222 1.00 0.00 O ATOM 1482 CB CYS A 103 -14.597 -19.354 0.614 1.00 0.00 C ATOM 1483 SG CYS A 103 -15.660 -17.932 0.286 1.00 0.00 S ATOM 0 H CYS A 103 -12.881 -20.840 1.365 1.00 0.00 H new ATOM 0 HA CYS A 103 -12.917 -18.935 -0.700 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -14.880 -20.187 -0.029 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -14.727 -19.687 1.644 1.00 0.00 H new ATOM 1488 N SER A 104 -12.425 -17.541 2.155 1.00 0.00 N ATOM 1489 CA SER A 104 -12.038 -16.253 2.776 1.00 0.00 C ATOM 1490 C SER A 104 -13.202 -15.278 2.839 1.00 0.00 C ATOM 1491 O SER A 104 -14.225 -15.472 2.212 1.00 0.00 O ATOM 1492 CB SER A 104 -10.914 -15.703 1.900 1.00 0.00 C ATOM 1493 OG SER A 104 -9.790 -15.401 2.715 1.00 0.00 O ATOM 0 H SER A 104 -12.371 -18.349 2.775 1.00 0.00 H new ATOM 0 HA SER A 104 -11.722 -16.397 3.809 1.00 0.00 H new ATOM 0 HB2 SER A 104 -10.640 -16.433 1.139 1.00 0.00 H new ATOM 0 HB3 SER A 104 -11.250 -14.808 1.377 1.00 0.00 H new ATOM 0 HG SER A 104 -9.203 -14.773 2.244 1.00 0.00 H new ATOM 1499 N PRO A 105 -12.996 -14.257 3.624 1.00 0.00 N ATOM 1500 CA PRO A 105 -14.027 -13.231 3.816 1.00 0.00 C ATOM 1501 C PRO A 105 -14.010 -12.215 2.677 1.00 0.00 C ATOM 1502 O PRO A 105 -14.737 -11.242 2.688 1.00 0.00 O ATOM 1503 CB PRO A 105 -13.641 -12.575 5.126 1.00 0.00 C ATOM 1504 CG PRO A 105 -12.166 -12.799 5.272 1.00 0.00 C ATOM 1505 CD PRO A 105 -11.786 -13.974 4.401 1.00 0.00 C ATOM 0 HA PRO A 105 -15.035 -13.646 3.829 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -13.876 -11.511 5.115 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -14.188 -13.014 5.960 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -11.613 -11.908 4.973 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -11.911 -12.998 6.313 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -10.944 -13.732 3.752 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -11.489 -14.834 5.001 1.00 0.00 H new ATOM 1513 N GLY A 106 -13.192 -12.430 1.693 1.00 0.00 N ATOM 1514 CA GLY A 106 -13.150 -11.472 0.561 1.00 0.00 C ATOM 1515 C GLY A 106 -13.890 -12.075 -0.635 1.00 0.00 C ATOM 1516 O GLY A 106 -13.946 -11.491 -1.696 1.00 0.00 O ATOM 0 H GLY A 106 -12.554 -13.222 1.622 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -13.611 -10.528 0.851 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -12.117 -11.253 0.292 1.00 0.00 H new ATOM 1520 N ASN A 107 -14.454 -13.243 -0.458 1.00 0.00 N ATOM 1521 CA ASN A 107 -15.203 -13.916 -1.559 1.00 0.00 C ATOM 1522 C ASN A 107 -14.242 -14.469 -2.607 1.00 0.00 C ATOM 1523 O ASN A 107 -14.425 -14.280 -3.793 1.00 0.00 O ATOM 1524 CB ASN A 107 -16.122 -12.856 -2.178 1.00 0.00 C ATOM 1525 CG ASN A 107 -16.880 -12.117 -1.075 1.00 0.00 C ATOM 1526 OD1 ASN A 107 -17.895 -12.589 -0.604 1.00 0.00 O ATOM 1527 ND2 ASN A 107 -16.435 -10.966 -0.650 1.00 0.00 N ATOM 0 H ASN A 107 -14.426 -13.766 0.417 1.00 0.00 H new ATOM 0 HA ASN A 107 -15.779 -14.759 -1.178 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -15.534 -12.149 -2.763 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -16.827 -13.328 -2.862 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -16.940 -10.462 0.079 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -15.582 -10.571 -1.047 1.00 0.00 H new ATOM 1534 N THR A 108 -13.231 -15.172 -2.183 1.00 0.00 N ATOM 1535 CA THR A 108 -12.283 -15.754 -3.165 1.00 0.00 C ATOM 1536 C THR A 108 -11.388 -16.795 -2.504 1.00 0.00 C ATOM 1537 O THR A 108 -11.100 -16.736 -1.325 1.00 0.00 O ATOM 1538 CB THR A 108 -11.467 -14.580 -3.684 1.00 0.00 C ATOM 1539 OG1 THR A 108 -11.510 -13.513 -2.745 1.00 0.00 O ATOM 1540 CG2 THR A 108 -12.068 -14.131 -5.008 1.00 0.00 C ATOM 0 H THR A 108 -13.022 -15.367 -1.204 1.00 0.00 H new ATOM 0 HA THR A 108 -12.802 -16.269 -3.973 1.00 0.00 H new ATOM 0 HB THR A 108 -10.428 -14.876 -3.826 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.982 -12.759 -3.082 1.00 0.00 H new ATOM 0 HG21 THR A 108 -11.498 -13.289 -5.399 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.034 -14.955 -5.721 1.00 0.00 H new ATOM 0 HG23 THR A 108 -13.103 -13.828 -4.853 1.00 0.00 H new ATOM 1548 N TRP A 109 -10.960 -17.758 -3.264 1.00 0.00 N ATOM 1549 CA TRP A 109 -10.095 -18.828 -2.710 1.00 0.00 C ATOM 1550 C TRP A 109 -8.694 -18.298 -2.411 1.00 0.00 C ATOM 1551 O TRP A 109 -7.798 -18.363 -3.230 1.00 0.00 O ATOM 1552 CB TRP A 109 -10.090 -19.892 -3.796 1.00 0.00 C ATOM 1553 CG TRP A 109 -11.379 -20.636 -3.691 1.00 0.00 C ATOM 1554 CD1 TRP A 109 -12.349 -20.687 -4.638 1.00 0.00 C ATOM 1555 CD2 TRP A 109 -11.862 -21.418 -2.564 1.00 0.00 C ATOM 1556 NE1 TRP A 109 -13.396 -21.450 -4.155 1.00 0.00 N ATOM 1557 CE2 TRP A 109 -13.137 -21.932 -2.884 1.00 0.00 C ATOM 1558 CE3 TRP A 109 -11.314 -21.731 -1.306 1.00 0.00 C ATOM 1559 CZ2 TRP A 109 -13.847 -22.732 -1.986 1.00 0.00 C ATOM 1560 CZ3 TRP A 109 -12.023 -22.536 -0.400 1.00 0.00 C ATOM 1561 CH2 TRP A 109 -13.287 -23.036 -0.739 1.00 0.00 C ATOM 0 H TRP A 109 -11.175 -17.850 -4.257 1.00 0.00 H new ATOM 0 HA TRP A 109 -10.455 -19.221 -1.759 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -9.988 -19.436 -4.781 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -9.244 -20.568 -3.669 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -12.310 -20.211 -5.607 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -14.255 -21.635 -4.673 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -10.341 -21.349 -1.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -14.822 -23.114 -2.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -11.592 -22.771 0.562 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -13.829 -23.655 -0.039 1.00 0.00 H new ATOM 1572 N LYS A 110 -8.507 -17.776 -1.228 1.00 0.00 N ATOM 1573 CA LYS A 110 -7.174 -17.240 -0.840 1.00 0.00 C ATOM 1574 C LYS A 110 -6.478 -18.229 0.109 1.00 0.00 C ATOM 1575 O LYS A 110 -7.085 -18.703 1.048 1.00 0.00 O ATOM 1576 CB LYS A 110 -7.475 -15.927 -0.115 1.00 0.00 C ATOM 1577 CG LYS A 110 -7.863 -14.857 -1.137 1.00 0.00 C ATOM 1578 CD LYS A 110 -6.861 -13.703 -1.071 1.00 0.00 C ATOM 1579 CE LYS A 110 -6.265 -13.464 -2.460 1.00 0.00 C ATOM 1580 NZ LYS A 110 -7.393 -12.932 -3.273 1.00 0.00 N ATOM 0 H LYS A 110 -9.227 -17.698 -0.510 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.515 -17.090 -1.695 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -8.284 -16.072 0.601 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -6.602 -15.604 0.452 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -7.877 -15.284 -2.140 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -8.869 -14.491 -0.933 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -7.355 -12.799 -0.715 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.069 -13.935 -0.359 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -5.438 -12.755 -2.419 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -5.872 -14.387 -2.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -7.018 -12.335 -4.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -7.929 -13.723 -3.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -8.020 -12.365 -2.667 1.00 0.00 H new ATOM 1594 N PRO A 111 -5.229 -18.521 -0.162 1.00 0.00 N ATOM 1595 CA PRO A 111 -4.517 -17.922 -1.321 1.00 0.00 C ATOM 1596 C PRO A 111 -5.028 -18.522 -2.633 1.00 0.00 C ATOM 1597 O PRO A 111 -5.736 -19.510 -2.643 1.00 0.00 O ATOM 1598 CB PRO A 111 -3.059 -18.299 -1.081 1.00 0.00 C ATOM 1599 CG PRO A 111 -3.111 -19.523 -0.226 1.00 0.00 C ATOM 1600 CD PRO A 111 -4.374 -19.444 0.591 1.00 0.00 C ATOM 0 HA PRO A 111 -4.665 -16.845 -1.404 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -2.543 -18.496 -2.021 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -2.520 -17.493 -0.584 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -3.107 -20.422 -0.842 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -2.236 -19.577 0.422 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -4.841 -20.423 0.698 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -4.176 -19.073 1.597 1.00 0.00 H new ATOM 1608 N GLU A 112 -4.678 -17.928 -3.739 1.00 0.00 N ATOM 1609 CA GLU A 112 -5.144 -18.457 -5.053 1.00 0.00 C ATOM 1610 C GLU A 112 -5.028 -19.982 -5.080 1.00 0.00 C ATOM 1611 O GLU A 112 -4.170 -20.561 -4.444 1.00 0.00 O ATOM 1612 CB GLU A 112 -4.209 -17.829 -6.087 1.00 0.00 C ATOM 1613 CG GLU A 112 -4.422 -16.315 -6.122 1.00 0.00 C ATOM 1614 CD GLU A 112 -3.168 -15.612 -5.600 1.00 0.00 C ATOM 1615 OE1 GLU A 112 -2.108 -16.213 -5.660 1.00 0.00 O ATOM 1616 OE2 GLU A 112 -3.288 -14.484 -5.149 1.00 0.00 O ATOM 0 H GLU A 112 -4.088 -17.097 -3.791 1.00 0.00 H new ATOM 0 HA GLU A 112 -6.189 -18.215 -5.249 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -3.172 -18.054 -5.838 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -4.401 -18.256 -7.071 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -4.637 -15.991 -7.140 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -5.284 -16.044 -5.513 1.00 0.00 H new ATOM 1623 N LEU A 113 -5.884 -20.639 -5.814 1.00 0.00 N ATOM 1624 CA LEU A 113 -5.816 -22.127 -5.879 1.00 0.00 C ATOM 1625 C LEU A 113 -4.422 -22.574 -6.309 1.00 0.00 C ATOM 1626 O LEU A 113 -3.724 -21.869 -7.011 1.00 0.00 O ATOM 1627 CB LEU A 113 -6.859 -22.541 -6.924 1.00 0.00 C ATOM 1628 CG LEU A 113 -8.286 -22.245 -6.423 1.00 0.00 C ATOM 1629 CD1 LEU A 113 -8.349 -22.302 -4.891 1.00 0.00 C ATOM 1630 CD2 LEU A 113 -8.711 -20.853 -6.895 1.00 0.00 C ATOM 0 H LEU A 113 -6.625 -20.212 -6.370 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.014 -22.585 -4.910 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -6.678 -22.006 -7.856 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.759 -23.604 -7.142 1.00 0.00 H new ATOM 0 HG LEU A 113 -8.960 -23.000 -6.828 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -9.366 -22.090 -4.561 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -8.057 -23.296 -4.552 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -7.669 -21.561 -4.471 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -9.720 -20.641 -6.542 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -8.023 -20.108 -6.496 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -8.693 -20.817 -7.984 1.00 0.00 H new ATOM 1642 N PRO A 114 -4.068 -23.742 -5.862 1.00 0.00 N ATOM 1643 CA PRO A 114 -2.745 -24.317 -6.187 1.00 0.00 C ATOM 1644 C PRO A 114 -2.698 -24.789 -7.644 1.00 0.00 C ATOM 1645 O PRO A 114 -3.704 -24.842 -8.323 1.00 0.00 O ATOM 1646 CB PRO A 114 -2.619 -25.488 -5.217 1.00 0.00 C ATOM 1647 CG PRO A 114 -4.020 -25.860 -4.846 1.00 0.00 C ATOM 1648 CD PRO A 114 -4.873 -24.631 -5.016 1.00 0.00 C ATOM 0 HA PRO A 114 -1.930 -23.601 -6.088 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -2.101 -26.327 -5.682 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -2.043 -25.206 -4.336 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -4.383 -26.669 -5.480 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -4.062 -26.217 -3.817 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -5.827 -24.871 -5.486 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -5.099 -24.168 -4.055 1.00 0.00 H new ATOM 1656 N LYS A 115 -1.532 -25.124 -8.132 1.00 0.00 N ATOM 1657 CA LYS A 115 -1.420 -25.587 -9.546 1.00 0.00 C ATOM 1658 C LYS A 115 -0.702 -26.936 -9.612 1.00 0.00 C ATOM 1659 O LYS A 115 0.485 -27.031 -9.369 1.00 0.00 O ATOM 1660 CB LYS A 115 -0.600 -24.511 -10.255 1.00 0.00 C ATOM 1661 CG LYS A 115 -0.882 -24.564 -11.759 1.00 0.00 C ATOM 1662 CD LYS A 115 -1.050 -23.143 -12.301 1.00 0.00 C ATOM 1663 CE LYS A 115 0.106 -22.815 -13.248 1.00 0.00 C ATOM 1664 NZ LYS A 115 -0.539 -22.544 -14.563 1.00 0.00 N ATOM 0 H LYS A 115 -0.654 -25.097 -7.613 1.00 0.00 H new ATOM 0 HA LYS A 115 -2.397 -25.726 -10.008 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -0.853 -23.527 -9.861 1.00 0.00 H new ATOM 0 HB3 LYS A 115 0.463 -24.666 -10.068 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -0.064 -25.066 -12.275 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -1.784 -25.146 -11.950 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -2.001 -23.053 -12.827 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -1.073 -22.429 -11.478 1.00 0.00 H new ATOM 0 HE2 LYS A 115 0.669 -21.950 -12.899 1.00 0.00 H new ATOM 0 HE3 LYS A 115 0.808 -23.646 -13.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 0.191 -22.311 -15.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -1.062 -23.388 -14.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -1.197 -21.744 -14.469 1.00 0.00 H new ATOM 1678 N CYS A 116 -1.413 -27.981 -9.943 1.00 0.00 N ATOM 1679 CA CYS A 116 -0.773 -29.321 -10.029 1.00 0.00 C ATOM 1680 C CYS A 116 0.235 -29.338 -11.181 1.00 0.00 C ATOM 1681 O CYS A 116 0.006 -29.920 -12.223 1.00 0.00 O ATOM 1682 CB CYS A 116 -1.935 -30.284 -10.287 1.00 0.00 C ATOM 1683 SG CYS A 116 -1.561 -31.942 -9.653 1.00 0.00 S ATOM 0 H CYS A 116 -2.410 -27.962 -10.157 1.00 0.00 H new ATOM 0 HA CYS A 116 -0.220 -29.593 -9.130 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -2.839 -29.904 -9.811 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -2.137 -30.337 -11.357 1.00 0.00 H new ATOM 1688 N VAL A 117 1.351 -28.695 -10.986 1.00 0.00 N ATOM 1689 CA VAL A 117 2.401 -28.650 -12.051 1.00 0.00 C ATOM 1690 C VAL A 117 3.277 -29.883 -11.998 1.00 0.00 C ATOM 1691 O VAL A 117 3.066 -30.786 -11.213 1.00 0.00 O ATOM 1692 CB VAL A 117 3.261 -27.418 -11.764 1.00 0.00 C ATOM 1693 CG1 VAL A 117 2.582 -26.198 -12.346 1.00 0.00 C ATOM 1694 CG2 VAL A 117 3.448 -27.224 -10.256 1.00 0.00 C ATOM 0 H VAL A 117 1.586 -28.194 -10.129 1.00 0.00 H new ATOM 0 HA VAL A 117 1.938 -28.608 -13.037 1.00 0.00 H new ATOM 0 HB VAL A 117 4.242 -27.559 -12.218 1.00 0.00 H new ATOM 0 HG11 VAL A 117 3.188 -25.314 -12.146 1.00 0.00 H new ATOM 0 HG12 VAL A 117 2.468 -26.324 -13.423 1.00 0.00 H new ATOM 0 HG13 VAL A 117 1.600 -26.075 -11.889 1.00 0.00 H new ATOM 0 HG21 VAL A 117 4.063 -26.342 -10.076 1.00 0.00 H new ATOM 0 HG22 VAL A 117 2.475 -27.091 -9.783 1.00 0.00 H new ATOM 0 HG23 VAL A 117 3.939 -28.101 -9.835 1.00 0.00 H new ATOM 1704 N ARG A 118 4.277 -29.916 -12.826 1.00 0.00 N ATOM 1705 CA ARG A 118 5.187 -31.081 -12.819 1.00 0.00 C ATOM 1706 C ARG A 118 6.647 -30.618 -12.806 1.00 0.00 C ATOM 1707 O ARG A 118 7.221 -30.565 -11.731 1.00 0.00 O ATOM 1708 CB ARG A 118 4.876 -31.859 -14.101 1.00 0.00 C ATOM 1709 CG ARG A 118 4.698 -30.883 -15.267 1.00 0.00 C ATOM 1710 CD ARG A 118 4.962 -31.610 -16.587 1.00 0.00 C ATOM 1711 NE ARG A 118 4.913 -30.547 -17.628 1.00 0.00 N ATOM 1712 CZ ARG A 118 5.974 -30.284 -18.341 1.00 0.00 C ATOM 1713 NH1 ARG A 118 6.956 -29.598 -17.821 1.00 0.00 N ATOM 1714 NH2 ARG A 118 6.054 -30.705 -19.573 1.00 0.00 N ATOM 1715 OXT ARG A 118 7.165 -30.325 -13.871 1.00 0.00 O ATOM 0 H ARG A 118 4.501 -29.188 -13.504 1.00 0.00 H new ATOM 0 HA ARG A 118 5.044 -31.700 -11.933 1.00 0.00 H new ATOM 0 HB2 ARG A 118 5.684 -32.557 -14.319 1.00 0.00 H new ATOM 0 HB3 ARG A 118 3.970 -32.451 -13.968 1.00 0.00 H new ATOM 0 HG2 ARG A 118 3.688 -30.473 -15.261 1.00 0.00 H new ATOM 0 HG3 ARG A 118 5.384 -30.042 -15.159 1.00 0.00 H new ATOM 0 HD2 ARG A 118 5.932 -32.108 -16.576 1.00 0.00 H new ATOM 0 HD3 ARG A 118 4.211 -32.378 -16.772 1.00 0.00 H new ATOM 0 HE ARG A 118 4.051 -30.025 -17.784 1.00 0.00 H new ATOM 0 HH11 ARG A 118 6.894 -29.268 -16.858 1.00 0.00 H new ATOM 0 HH12 ARG A 118 7.785 -29.392 -18.378 1.00 0.00 H new ATOM 0 HH21 ARG A 118 5.287 -31.240 -19.980 1.00 0.00 H new ATOM 0 HH22 ARG A 118 6.884 -30.499 -20.130 1.00 0.00 H new