USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 789 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 52 ASN : amide:sc= -0.135 K(o=1.1,f=0.15) USER MOD Set 1.2: A 67 TYR OH : rot -124:sc= 0.809 USER MOD Set 1.3: A 78 THR OG1 : rot 150:sc= 0.469 USER MOD Set 2.1: A 40 THR OG1 : rot -160:sc= 0.706 USER MOD Set 2.2: A 48 TYR OH : rot 74:sc= 0.76 USER MOD Set 3.1: A 7 LYS NZ :NH3+ -162:sc= 1.16 (180deg=0.851) USER MOD Set 3.2: A 97 TYR OH : rot -136:sc= 0.53 USER MOD Single : A 1 GLY N :NH3+ -146:sc= -1.42 (180deg=-4.21!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -128:sc= 1.23 (180deg=0.748) USER MOD Single : A 14 CYS SG : rot -160:sc= -1.82 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.144 USER MOD Single : A 18 HIS : no HE2:sc= -0.157 K(o=-0.16,f=-4.3!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 16:sc= 0.46 USER MOD Single : A 31 ASN : amide:sc= 0.0461 X(o=0.046,f=-0.12) USER MOD Single : A 33 HIS : no HD1:sc= -0.0296 X(o=-0.03,f=-0.03) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0882 USER MOD Single : A 49 THR OG1 : rot 170:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.0205 X(o=-0.021,f=-0.021) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -154:sc= 1.18 (180deg=-0.759) USER MOD Single : A 63 THR OG1 : rot 23:sc= 0.689 USER MOD Single : A 65 MET CE :methyl 166:sc= -0.0248 (180deg=-0.521) USER MOD Single : A 70 ASN : amide:sc= -0.87 K(o=-0.87,f=-2.4) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -114:sc= 1.15 (180deg=-0.504) USER MOD Single : A 74 TYR OH : rot 0:sc= -0.85 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= -0.0735 (180deg=-0.0735) USER MOD Single : A 86 LYS NZ :NH3+ -168:sc= 0.25 (180deg=0.232) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.065 USER MOD Single : A 99 LYS NZ :NH3+ -130:sc= 1.2 (180deg=0.915) USER MOD Single : A 100 LYS NZ :NH3+ 136:sc= 1.19 (180deg=0.758) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0225 USER MOD Single : A 103 ASN : amide:sc= -0.254 X(o=-0.25,f=-0.041) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.958 9.746 3.964 1.00 0.00 N ATOM 2 CA GLY A 1 -11.294 9.974 5.242 1.00 0.00 C ATOM 3 C GLY A 1 -10.777 11.394 5.114 1.00 0.00 C ATOM 4 O GLY A 1 -11.436 12.151 4.401 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.784 9.130 4.107 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.269 10.656 3.567 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.295 9.290 3.305 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.985 9.871 6.079 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.484 9.264 5.408 1.00 0.00 H new ATOM 10 N ASP A 2 -9.635 11.726 5.697 1.00 0.00 N ATOM 11 CA ASP A 2 -9.002 13.019 5.520 1.00 0.00 C ATOM 12 C ASP A 2 -7.815 12.806 4.584 1.00 0.00 C ATOM 13 O ASP A 2 -7.995 12.403 3.438 1.00 0.00 O ATOM 14 CB ASP A 2 -8.619 13.600 6.890 1.00 0.00 C ATOM 15 CG ASP A 2 -9.841 13.854 7.764 1.00 0.00 C ATOM 16 OD1 ASP A 2 -10.643 14.725 7.373 1.00 0.00 O ATOM 17 OD2 ASP A 2 -9.940 13.181 8.813 1.00 0.00 O ATOM 0 H ASP A 2 -9.119 11.097 6.312 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.667 13.755 5.069 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.945 12.912 7.400 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -8.074 14.533 6.749 1.00 0.00 H new ATOM 22 N VAL A 3 -6.606 13.058 5.081 1.00 0.00 N ATOM 23 CA VAL A 3 -5.346 12.920 4.369 1.00 0.00 C ATOM 24 C VAL A 3 -4.223 12.843 5.408 1.00 0.00 C ATOM 25 O VAL A 3 -3.427 11.906 5.410 1.00 0.00 O ATOM 26 CB VAL A 3 -5.200 14.070 3.353 1.00 0.00 C ATOM 27 CG1 VAL A 3 -5.272 15.481 3.953 1.00 0.00 C ATOM 28 CG2 VAL A 3 -3.911 13.928 2.543 1.00 0.00 C ATOM 0 H VAL A 3 -6.477 13.380 6.040 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.301 12.004 3.780 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.072 13.970 2.706 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.159 16.220 3.160 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.236 15.619 4.443 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.472 15.607 4.683 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.834 14.753 1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.054 13.947 3.216 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.925 12.983 2.000 1.00 0.00 H new ATOM 38 N GLU A 4 -4.227 13.789 6.350 1.00 0.00 N ATOM 39 CA GLU A 4 -3.337 13.810 7.500 1.00 0.00 C ATOM 40 C GLU A 4 -3.628 12.604 8.383 1.00 0.00 C ATOM 41 O GLU A 4 -2.723 11.860 8.752 1.00 0.00 O ATOM 42 CB GLU A 4 -3.539 15.115 8.282 1.00 0.00 C ATOM 43 CG GLU A 4 -2.947 16.314 7.532 1.00 0.00 C ATOM 44 CD GLU A 4 -1.427 16.213 7.453 1.00 0.00 C ATOM 45 OE1 GLU A 4 -0.805 16.344 8.529 1.00 0.00 O ATOM 46 OE2 GLU A 4 -0.925 15.963 6.335 1.00 0.00 O ATOM 0 H GLU A 4 -4.869 14.581 6.328 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.300 13.761 7.169 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.603 15.279 8.451 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.070 15.030 9.262 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.365 16.361 6.526 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.228 17.238 8.037 1.00 0.00 H new ATOM 53 N LYS A 5 -4.907 12.390 8.706 1.00 0.00 N ATOM 54 CA LYS A 5 -5.316 11.194 9.423 1.00 0.00 C ATOM 55 C LYS A 5 -4.864 9.955 8.656 1.00 0.00 C ATOM 56 O LYS A 5 -4.349 9.037 9.282 1.00 0.00 O ATOM 57 CB LYS A 5 -6.822 11.190 9.693 1.00 0.00 C ATOM 58 CG LYS A 5 -7.210 12.315 10.665 1.00 0.00 C ATOM 59 CD LYS A 5 -7.675 11.742 12.009 1.00 0.00 C ATOM 60 CE LYS A 5 -7.975 12.888 12.987 1.00 0.00 C ATOM 61 NZ LYS A 5 -8.527 12.403 14.269 1.00 0.00 N ATOM 0 H LYS A 5 -5.668 13.030 8.481 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.832 11.184 10.399 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.364 11.312 8.755 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.118 10.227 10.109 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.357 12.975 10.822 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.005 12.920 10.229 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.566 11.131 11.866 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.905 11.090 12.423 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.060 13.449 13.177 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.682 13.578 12.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.713 13.212 14.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.414 11.890 14.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.842 11.765 14.722 1.00 0.00 H new ATOM 75 N GLY A 6 -4.978 9.944 7.323 1.00 0.00 N ATOM 76 CA GLY A 6 -4.433 8.855 6.520 1.00 0.00 C ATOM 77 C GLY A 6 -2.944 8.671 6.826 1.00 0.00 C ATOM 78 O GLY A 6 -2.533 7.595 7.256 1.00 0.00 O ATOM 0 H GLY A 6 -5.441 10.676 6.784 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.973 7.932 6.731 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.571 9.070 5.460 1.00 0.00 H new ATOM 82 N LYS A 7 -2.137 9.722 6.652 1.00 0.00 N ATOM 83 CA LYS A 7 -0.707 9.708 6.844 1.00 0.00 C ATOM 84 C LYS A 7 -0.310 9.249 8.247 1.00 0.00 C ATOM 85 O LYS A 7 0.643 8.491 8.417 1.00 0.00 O ATOM 86 CB LYS A 7 -0.169 11.102 6.479 1.00 0.00 C ATOM 87 CG LYS A 7 1.348 11.093 6.585 1.00 0.00 C ATOM 88 CD LYS A 7 2.056 12.256 5.872 1.00 0.00 C ATOM 89 CE LYS A 7 3.560 12.120 6.164 1.00 0.00 C ATOM 90 NZ LYS A 7 4.456 12.609 5.096 1.00 0.00 N ATOM 0 H LYS A 7 -2.488 10.635 6.362 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.249 8.969 6.187 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.474 11.370 5.467 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.588 11.854 7.148 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.624 11.111 7.639 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.720 10.154 6.175 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.868 12.221 4.799 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.679 13.214 6.231 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.786 12.662 7.082 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.784 11.070 6.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.407 12.212 5.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.086 12.313 4.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.506 13.647 5.133 1.00 0.00 H new ATOM 104 N LYS A 8 -1.044 9.705 9.255 1.00 0.00 N ATOM 105 CA LYS A 8 -0.742 9.416 10.645 1.00 0.00 C ATOM 106 C LYS A 8 -1.043 7.956 10.947 1.00 0.00 C ATOM 107 O LYS A 8 -0.231 7.254 11.551 1.00 0.00 O ATOM 108 CB LYS A 8 -1.565 10.335 11.564 1.00 0.00 C ATOM 109 CG LYS A 8 -0.804 11.619 11.924 1.00 0.00 C ATOM 110 CD LYS A 8 -0.068 11.496 13.271 1.00 0.00 C ATOM 111 CE LYS A 8 0.977 10.364 13.295 1.00 0.00 C ATOM 112 NZ LYS A 8 1.694 10.284 14.585 1.00 0.00 N ATOM 0 H LYS A 8 -1.870 10.289 9.126 1.00 0.00 H new ATOM 0 HA LYS A 8 0.317 9.600 10.827 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.502 10.595 11.072 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.823 9.798 12.477 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.085 11.846 11.137 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.503 12.454 11.968 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.426 12.442 13.495 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.798 11.323 14.061 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.482 9.413 13.098 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.697 10.521 12.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.385 9.508 14.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.189 11.181 14.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.013 10.107 15.350 1.00 0.00 H new ATOM 126 N ILE A 9 -2.239 7.520 10.559 1.00 0.00 N ATOM 127 CA ILE A 9 -2.741 6.199 10.881 1.00 0.00 C ATOM 128 C ILE A 9 -1.914 5.175 10.107 1.00 0.00 C ATOM 129 O ILE A 9 -1.558 4.125 10.640 1.00 0.00 O ATOM 130 CB ILE A 9 -4.247 6.204 10.582 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.992 7.039 11.644 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.871 4.818 10.438 1.00 0.00 C ATOM 133 CD1 ILE A 9 -5.101 6.379 13.026 1.00 0.00 C ATOM 0 H ILE A 9 -2.887 8.083 10.008 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.636 5.922 11.930 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.358 6.664 9.600 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.484 7.997 11.754 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.997 7.251 11.279 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.936 4.918 10.228 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.388 4.285 9.619 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.735 4.260 11.364 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.640 7.041 13.704 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.638 5.435 12.937 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.102 6.192 13.420 1.00 0.00 H new ATOM 145 N PHE A 10 -1.543 5.535 8.880 1.00 0.00 N ATOM 146 CA PHE A 10 -0.526 4.853 8.110 1.00 0.00 C ATOM 147 C PHE A 10 0.761 4.721 8.906 1.00 0.00 C ATOM 148 O PHE A 10 1.124 3.617 9.285 1.00 0.00 O ATOM 149 CB PHE A 10 -0.290 5.652 6.814 1.00 0.00 C ATOM 150 CG PHE A 10 0.875 5.213 5.959 1.00 0.00 C ATOM 151 CD1 PHE A 10 2.170 5.718 6.161 1.00 0.00 C ATOM 152 CD2 PHE A 10 0.672 4.223 5.001 1.00 0.00 C ATOM 153 CE1 PHE A 10 3.265 5.172 5.482 1.00 0.00 C ATOM 154 CE2 PHE A 10 1.761 3.654 4.334 1.00 0.00 C ATOM 155 CZ PHE A 10 3.055 4.124 4.573 1.00 0.00 C ATOM 0 H PHE A 10 -1.956 6.328 8.390 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.858 3.843 7.869 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.196 5.600 6.210 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.144 6.699 7.080 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.322 6.537 6.848 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.331 3.893 4.772 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.261 5.553 5.656 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.602 2.849 3.632 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.894 3.680 4.058 1.00 0.00 H new ATOM 165 N VAL A 11 1.468 5.820 9.162 1.00 0.00 N ATOM 166 CA VAL A 11 2.778 5.749 9.796 1.00 0.00 C ATOM 167 C VAL A 11 2.721 4.919 11.089 1.00 0.00 C ATOM 168 O VAL A 11 3.631 4.141 11.362 1.00 0.00 O ATOM 169 CB VAL A 11 3.391 7.159 9.957 1.00 0.00 C ATOM 170 CG1 VAL A 11 4.026 7.401 11.329 1.00 0.00 C ATOM 171 CG2 VAL A 11 4.459 7.428 8.888 1.00 0.00 C ATOM 0 H VAL A 11 1.155 6.765 8.940 1.00 0.00 H new ATOM 0 HA VAL A 11 3.467 5.211 9.145 1.00 0.00 H new ATOM 0 HB VAL A 11 2.549 7.842 9.844 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.435 8.411 11.368 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.270 7.286 12.105 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.826 6.679 11.492 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.871 8.427 9.028 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.257 6.691 8.977 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.009 7.357 7.898 1.00 0.00 H new ATOM 181 N GLN A 12 1.631 5.042 11.855 1.00 0.00 N ATOM 182 CA GLN A 12 1.367 4.210 13.014 1.00 0.00 C ATOM 183 C GLN A 12 1.487 2.700 12.723 1.00 0.00 C ATOM 184 O GLN A 12 2.043 1.988 13.556 1.00 0.00 O ATOM 185 CB GLN A 12 -0.014 4.588 13.570 1.00 0.00 C ATOM 186 CG GLN A 12 0.048 5.586 14.732 1.00 0.00 C ATOM 187 CD GLN A 12 0.102 4.865 16.075 1.00 0.00 C ATOM 188 OE1 GLN A 12 1.144 4.801 16.715 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.030 4.322 16.515 1.00 0.00 N ATOM 0 H GLN A 12 0.903 5.734 11.677 1.00 0.00 H new ATOM 0 HA GLN A 12 2.134 4.401 13.764 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.616 5.014 12.767 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.522 3.684 13.905 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.926 6.222 14.622 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.824 6.239 14.701 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.881 4.394 15.957 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.047 3.834 17.411 1.00 0.00 H new ATOM 198 N LYS A 13 0.945 2.188 11.607 1.00 0.00 N ATOM 199 CA LYS A 13 0.911 0.739 11.354 1.00 0.00 C ATOM 200 C LYS A 13 1.137 0.261 9.911 1.00 0.00 C ATOM 201 O LYS A 13 0.760 -0.860 9.574 1.00 0.00 O ATOM 202 CB LYS A 13 -0.383 0.169 11.919 1.00 0.00 C ATOM 203 CG LYS A 13 -1.615 0.835 11.323 1.00 0.00 C ATOM 204 CD LYS A 13 -2.397 1.532 12.436 1.00 0.00 C ATOM 205 CE LYS A 13 -3.089 0.485 13.334 1.00 0.00 C ATOM 206 NZ LYS A 13 -4.303 0.993 14.005 1.00 0.00 N ATOM 0 H LYS A 13 0.526 2.753 10.868 1.00 0.00 H new ATOM 0 HA LYS A 13 1.791 0.351 11.867 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.421 -0.903 11.724 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.392 0.296 13.002 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.320 1.557 10.562 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.243 0.092 10.831 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.724 2.147 13.034 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.141 2.201 12.004 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.354 -0.382 12.729 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.382 0.143 14.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.239 0.807 15.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.386 2.017 13.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.140 0.513 13.617 1.00 0.00 H new ATOM 220 N CYS A 14 1.777 1.066 9.071 1.00 0.00 N ATOM 221 CA CYS A 14 2.161 0.700 7.711 1.00 0.00 C ATOM 222 C CYS A 14 3.668 0.934 7.559 1.00 0.00 C ATOM 223 O CYS A 14 4.381 0.067 7.067 1.00 0.00 O ATOM 224 CB CYS A 14 1.418 1.510 6.676 1.00 0.00 C ATOM 225 SG CYS A 14 -0.408 1.545 6.718 1.00 0.00 S ATOM 0 H CYS A 14 2.051 2.016 9.322 1.00 0.00 H new ATOM 0 HA CYS A 14 1.907 -0.347 7.547 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.768 2.539 6.751 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.717 1.142 5.694 1.00 0.00 H new ATOM 0 HG CYS A 14 -0.862 1.916 5.558 1.00 0.00 H new ATOM 230 N ALA A 15 4.170 2.095 8.008 1.00 0.00 N ATOM 231 CA ALA A 15 5.580 2.488 7.900 1.00 0.00 C ATOM 232 C ALA A 15 6.554 1.439 8.424 1.00 0.00 C ATOM 233 O ALA A 15 7.641 1.299 7.877 1.00 0.00 O ATOM 234 CB ALA A 15 5.824 3.816 8.602 1.00 0.00 C ATOM 0 H ALA A 15 3.593 2.800 8.466 1.00 0.00 H new ATOM 0 HA ALA A 15 5.776 2.589 6.833 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.875 4.089 8.510 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.207 4.589 8.143 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.564 3.723 9.657 1.00 0.00 H new ATOM 240 N GLN A 16 6.167 0.690 9.460 1.00 0.00 N ATOM 241 CA GLN A 16 6.934 -0.440 9.962 1.00 0.00 C ATOM 242 C GLN A 16 7.447 -1.349 8.831 1.00 0.00 C ATOM 243 O GLN A 16 8.551 -1.883 8.925 1.00 0.00 O ATOM 244 CB GLN A 16 6.086 -1.196 10.994 1.00 0.00 C ATOM 245 CG GLN A 16 4.761 -1.742 10.439 1.00 0.00 C ATOM 246 CD GLN A 16 3.955 -2.464 11.512 1.00 0.00 C ATOM 247 OE1 GLN A 16 3.720 -3.664 11.422 1.00 0.00 O ATOM 248 NE2 GLN A 16 3.524 -1.744 12.545 1.00 0.00 N ATOM 0 H GLN A 16 5.303 0.857 9.975 1.00 0.00 H new ATOM 0 HA GLN A 16 7.834 -0.070 10.453 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.671 -2.026 11.391 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.871 -0.530 11.829 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.171 -0.921 10.032 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.966 -2.426 9.616 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.734 -0.747 12.595 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.984 -2.189 13.287 1.00 0.00 H new ATOM 257 N CYS A 17 6.644 -1.512 7.775 1.00 0.00 N ATOM 258 CA CYS A 17 6.976 -2.242 6.566 1.00 0.00 C ATOM 259 C CYS A 17 7.191 -1.291 5.369 1.00 0.00 C ATOM 260 O CYS A 17 7.813 -1.703 4.394 1.00 0.00 O ATOM 261 CB CYS A 17 5.880 -3.240 6.279 1.00 0.00 C ATOM 262 SG CYS A 17 5.652 -4.456 7.621 1.00 0.00 S ATOM 0 H CYS A 17 5.704 -1.117 7.747 1.00 0.00 H new ATOM 0 HA CYS A 17 7.917 -2.771 6.718 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.944 -2.706 6.117 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.110 -3.768 5.353 1.00 0.00 H new ATOM 0 HG CYS A 17 4.695 -5.277 7.305 1.00 0.00 H new ATOM 267 N HIS A 18 6.680 -0.049 5.403 1.00 0.00 N ATOM 268 CA HIS A 18 6.605 0.837 4.237 1.00 0.00 C ATOM 269 C HIS A 18 6.966 2.292 4.543 1.00 0.00 C ATOM 270 O HIS A 18 6.079 3.139 4.591 1.00 0.00 O ATOM 271 CB HIS A 18 5.161 0.833 3.725 1.00 0.00 C ATOM 272 CG HIS A 18 4.707 -0.476 3.174 1.00 0.00 C ATOM 273 ND1 HIS A 18 5.004 -0.920 1.916 1.00 0.00 N ATOM 274 CD2 HIS A 18 3.640 -1.194 3.633 1.00 0.00 C ATOM 275 CE1 HIS A 18 4.119 -1.869 1.606 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.300 -2.111 2.628 1.00 0.00 N ATOM 0 H HIS A 18 6.304 0.370 6.253 1.00 0.00 H new ATOM 0 HA HIS A 18 7.325 0.459 3.511 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.498 1.119 4.541 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.061 1.594 2.951 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.764 -0.587 1.322 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.151 -1.078 4.589 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.073 -2.374 0.653 1.00 0.00 H new ATOM 284 N THR A 19 8.235 2.656 4.699 1.00 0.00 N ATOM 285 CA THR A 19 8.581 4.028 5.070 1.00 0.00 C ATOM 286 C THR A 19 8.535 5.018 3.880 1.00 0.00 C ATOM 287 O THR A 19 9.493 5.749 3.624 1.00 0.00 O ATOM 288 CB THR A 19 9.941 3.986 5.772 1.00 0.00 C ATOM 289 OG1 THR A 19 10.023 2.830 6.582 1.00 0.00 O ATOM 290 CG2 THR A 19 10.208 5.219 6.641 1.00 0.00 C ATOM 0 H THR A 19 9.032 2.032 4.577 1.00 0.00 H new ATOM 0 HA THR A 19 7.828 4.423 5.752 1.00 0.00 H new ATOM 0 HB THR A 19 10.697 3.969 4.987 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.895 2.805 7.029 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.187 5.128 7.111 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.186 6.114 6.019 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.441 5.294 7.412 1.00 0.00 H new ATOM 298 N VAL A 20 7.409 5.089 3.159 1.00 0.00 N ATOM 299 CA VAL A 20 7.180 6.049 2.098 1.00 0.00 C ATOM 300 C VAL A 20 6.937 7.437 2.703 1.00 0.00 C ATOM 301 O VAL A 20 5.798 7.838 2.957 1.00 0.00 O ATOM 302 CB VAL A 20 6.061 5.564 1.161 1.00 0.00 C ATOM 303 CG1 VAL A 20 4.790 5.126 1.895 1.00 0.00 C ATOM 304 CG2 VAL A 20 5.727 6.629 0.112 1.00 0.00 C ATOM 0 H VAL A 20 6.620 4.461 3.309 1.00 0.00 H new ATOM 0 HA VAL A 20 8.065 6.137 1.469 1.00 0.00 H new ATOM 0 HB VAL A 20 6.454 4.676 0.666 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.046 4.797 1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.025 4.304 2.571 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.393 5.965 2.467 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.933 6.262 -0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.396 7.540 0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.614 6.844 -0.484 1.00 0.00 H new ATOM 426 N THR A 28 10.311 -5.184 4.757 1.00 0.00 N ATOM 427 CA THR A 28 9.168 -6.077 4.897 1.00 0.00 C ATOM 428 C THR A 28 7.984 -5.628 4.029 1.00 0.00 C ATOM 429 O THR A 28 6.995 -6.352 3.955 1.00 0.00 O ATOM 430 CB THR A 28 8.790 -6.203 6.386 1.00 0.00 C ATOM 431 OG1 THR A 28 9.953 -6.238 7.198 1.00 0.00 O ATOM 432 CG2 THR A 28 7.996 -7.482 6.682 1.00 0.00 C ATOM 0 HA THR A 28 9.447 -7.065 4.531 1.00 0.00 H new ATOM 0 HB THR A 28 8.176 -5.331 6.611 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.722 -5.917 6.682 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.755 -7.523 7.744 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.074 -7.481 6.100 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.594 -8.352 6.412 1.00 0.00 H new ATOM 440 N GLY A 29 8.067 -4.487 3.337 1.00 0.00 N ATOM 441 CA GLY A 29 7.070 -4.030 2.403 1.00 0.00 C ATOM 442 C GLY A 29 7.818 -3.135 1.421 1.00 0.00 C ATOM 443 O GLY A 29 8.828 -2.544 1.777 1.00 0.00 O ATOM 0 H GLY A 29 8.857 -3.848 3.424 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.598 -4.868 1.890 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.278 -3.480 2.911 1.00 0.00 H new ATOM 447 N PRO A 30 7.393 -3.058 0.164 1.00 0.00 N ATOM 448 CA PRO A 30 7.989 -2.167 -0.818 1.00 0.00 C ATOM 449 C PRO A 30 7.820 -0.718 -0.367 1.00 0.00 C ATOM 450 O PRO A 30 6.699 -0.298 -0.105 1.00 0.00 O ATOM 451 CB PRO A 30 7.217 -2.410 -2.119 1.00 0.00 C ATOM 452 CG PRO A 30 5.920 -3.062 -1.637 1.00 0.00 C ATOM 453 CD PRO A 30 6.263 -3.782 -0.352 1.00 0.00 C ATOM 0 HA PRO A 30 9.056 -2.352 -0.945 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.026 -1.480 -2.654 1.00 0.00 H new ATOM 0 HB3 PRO A 30 7.767 -3.061 -2.798 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.146 -2.313 -1.469 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.534 -3.758 -2.382 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.427 -3.769 0.348 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.509 -4.828 -0.534 1.00 0.00 H new ATOM 461 N ASN A 31 8.896 0.068 -0.301 1.00 0.00 N ATOM 462 CA ASN A 31 8.802 1.509 -0.100 1.00 0.00 C ATOM 463 C ASN A 31 8.004 2.158 -1.246 1.00 0.00 C ATOM 464 O ASN A 31 8.593 2.657 -2.203 1.00 0.00 O ATOM 465 CB ASN A 31 10.213 2.095 0.034 1.00 0.00 C ATOM 466 CG ASN A 31 10.174 3.574 0.400 1.00 0.00 C ATOM 467 OD1 ASN A 31 10.506 3.953 1.517 1.00 0.00 O ATOM 468 ND2 ASN A 31 9.787 4.437 -0.532 1.00 0.00 N ATOM 0 H ASN A 31 9.852 -0.278 -0.385 1.00 0.00 H new ATOM 0 HA ASN A 31 8.261 1.723 0.822 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.765 1.545 0.796 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.752 1.966 -0.905 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.762 5.435 -0.324 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.514 4.102 -1.456 1.00 0.00 H new ATOM 475 N LEU A 32 6.674 2.133 -1.118 1.00 0.00 N ATOM 476 CA LEU A 32 5.646 2.455 -2.103 1.00 0.00 C ATOM 477 C LEU A 32 6.106 3.442 -3.184 1.00 0.00 C ATOM 478 O LEU A 32 6.269 3.048 -4.339 1.00 0.00 O ATOM 479 CB LEU A 32 4.378 2.929 -1.362 1.00 0.00 C ATOM 480 CG LEU A 32 3.841 1.940 -0.307 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.559 2.491 0.324 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.530 0.555 -0.882 1.00 0.00 C ATOM 0 H LEU A 32 6.252 1.859 -0.231 1.00 0.00 H new ATOM 0 HA LEU A 32 5.419 1.548 -2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.593 3.879 -0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.594 3.118 -2.095 1.00 0.00 H new ATOM 0 HG LEU A 32 4.633 1.829 0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.187 1.786 1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.771 3.446 0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.805 2.633 -0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.156 -0.093 -0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.774 0.646 -1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.438 0.124 -1.305 1.00 0.00 H new ATOM 494 N HIS A 33 6.304 4.710 -2.797 1.00 0.00 N ATOM 495 CA HIS A 33 6.872 5.797 -3.597 1.00 0.00 C ATOM 496 C HIS A 33 6.581 5.662 -5.101 1.00 0.00 C ATOM 497 O HIS A 33 7.489 5.510 -5.919 1.00 0.00 O ATOM 498 CB HIS A 33 8.366 5.911 -3.267 1.00 0.00 C ATOM 499 CG HIS A 33 9.071 7.097 -3.877 1.00 0.00 C ATOM 500 ND1 HIS A 33 10.146 7.035 -4.734 1.00 0.00 N ATOM 501 CD2 HIS A 33 8.833 8.417 -3.603 1.00 0.00 C ATOM 502 CE1 HIS A 33 10.545 8.295 -4.974 1.00 0.00 C ATOM 503 NE2 HIS A 33 9.778 9.171 -4.305 1.00 0.00 N ATOM 0 H HIS A 33 6.055 5.020 -1.858 1.00 0.00 H new ATOM 0 HA HIS A 33 6.381 6.733 -3.329 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.480 5.959 -2.184 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.866 5.001 -3.600 1.00 0.00 H new ATOM 0 HD2 HIS A 33 8.056 8.805 -2.961 1.00 0.00 H new ATOM 0 HE1 HIS A 33 11.369 8.566 -5.617 1.00 0.00 H new ATOM 0 HE2 HIS A 33 9.867 10.187 -4.308 1.00 0.00 H new ATOM 511 N GLY A 34 5.292 5.726 -5.449 1.00 0.00 N ATOM 512 CA GLY A 34 4.795 5.603 -6.811 1.00 0.00 C ATOM 513 C GLY A 34 3.903 4.369 -6.929 1.00 0.00 C ATOM 514 O GLY A 34 4.409 3.270 -7.152 1.00 0.00 O ATOM 0 H GLY A 34 4.548 5.869 -4.766 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.233 6.496 -7.084 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.631 5.526 -7.507 1.00 0.00 H new ATOM 518 N LEU A 35 2.588 4.563 -6.808 1.00 0.00 N ATOM 519 CA LEU A 35 1.544 3.543 -6.896 1.00 0.00 C ATOM 520 C LEU A 35 0.565 3.988 -7.979 1.00 0.00 C ATOM 521 O LEU A 35 0.553 3.432 -9.073 1.00 0.00 O ATOM 522 CB LEU A 35 0.826 3.422 -5.540 1.00 0.00 C ATOM 523 CG LEU A 35 1.359 2.309 -4.627 1.00 0.00 C ATOM 524 CD1 LEU A 35 2.887 2.237 -4.568 1.00 0.00 C ATOM 525 CD2 LEU A 35 0.798 2.562 -3.226 1.00 0.00 C ATOM 0 H LEU A 35 2.202 5.491 -6.636 1.00 0.00 H new ATOM 0 HA LEU A 35 1.966 2.569 -7.144 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.908 4.374 -5.015 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.235 3.248 -5.721 1.00 0.00 H new ATOM 0 HG LEU A 35 1.036 1.351 -5.035 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.188 1.427 -3.904 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.281 2.052 -5.567 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.281 3.181 -4.191 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.156 1.789 -2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.129 3.538 -2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.291 2.539 -3.261 1.00 0.00 H new ATOM 537 N PHE A 36 -0.227 5.017 -7.666 1.00 0.00 N ATOM 538 CA PHE A 36 -1.198 5.624 -8.562 1.00 0.00 C ATOM 539 C PHE A 36 -0.600 5.854 -9.944 1.00 0.00 C ATOM 540 O PHE A 36 0.299 6.679 -10.092 1.00 0.00 O ATOM 541 CB PHE A 36 -1.692 6.945 -7.958 1.00 0.00 C ATOM 542 CG PHE A 36 -2.559 6.735 -6.735 1.00 0.00 C ATOM 543 CD1 PHE A 36 -3.916 6.414 -6.905 1.00 0.00 C ATOM 544 CD2 PHE A 36 -1.985 6.672 -5.452 1.00 0.00 C ATOM 545 CE1 PHE A 36 -4.683 6.007 -5.804 1.00 0.00 C ATOM 546 CE2 PHE A 36 -2.727 6.158 -4.376 1.00 0.00 C ATOM 547 CZ PHE A 36 -4.079 5.827 -4.550 1.00 0.00 C ATOM 0 H PHE A 36 -0.204 5.461 -6.748 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.042 4.944 -8.679 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.834 7.561 -7.690 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.257 7.496 -8.710 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.368 6.481 -7.883 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.974 7.019 -5.295 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.742 5.831 -5.921 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.256 6.018 -3.414 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.652 5.435 -3.723 1.00 0.00 H new ATOM 557 N GLY A 37 -1.105 5.136 -10.948 1.00 0.00 N ATOM 558 CA GLY A 37 -0.672 5.339 -12.325 1.00 0.00 C ATOM 559 C GLY A 37 0.536 4.477 -12.701 1.00 0.00 C ATOM 560 O GLY A 37 1.044 4.612 -13.812 1.00 0.00 O ATOM 0 H GLY A 37 -1.813 4.411 -10.831 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.499 5.111 -12.998 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.422 6.390 -12.471 1.00 0.00 H new ATOM 564 N ARG A 38 1.005 3.598 -11.806 1.00 0.00 N ATOM 565 CA ARG A 38 2.228 2.829 -11.992 1.00 0.00 C ATOM 566 C ARG A 38 1.922 1.332 -11.911 1.00 0.00 C ATOM 567 O ARG A 38 1.425 0.840 -10.900 1.00 0.00 O ATOM 568 CB ARG A 38 3.279 3.275 -10.959 1.00 0.00 C ATOM 569 CG ARG A 38 4.669 3.381 -11.607 1.00 0.00 C ATOM 570 CD ARG A 38 5.696 3.995 -10.650 1.00 0.00 C ATOM 571 NE ARG A 38 5.801 3.220 -9.406 1.00 0.00 N ATOM 572 CZ ARG A 38 6.852 2.551 -8.912 1.00 0.00 C ATOM 573 NH1 ARG A 38 7.924 2.305 -9.674 1.00 0.00 N ATOM 574 NH2 ARG A 38 6.798 2.138 -7.642 1.00 0.00 N ATOM 0 H ARG A 38 0.534 3.403 -10.922 1.00 0.00 H new ATOM 0 HA ARG A 38 2.643 3.016 -12.982 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.995 4.239 -10.537 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.310 2.563 -10.134 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.004 2.390 -11.913 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.604 3.989 -12.510 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.670 4.037 -11.137 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.411 5.021 -10.418 1.00 0.00 H new ATOM 0 HE ARG A 38 4.954 3.186 -8.838 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.947 2.628 -10.641 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.718 1.795 -9.287 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.972 2.334 -7.077 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.583 1.626 -7.238 1.00 0.00 H new ATOM 588 N LYS A 39 2.205 0.612 -12.999 1.00 0.00 N ATOM 589 CA LYS A 39 2.056 -0.833 -13.084 1.00 0.00 C ATOM 590 C LYS A 39 2.917 -1.537 -12.025 1.00 0.00 C ATOM 591 O LYS A 39 4.123 -1.299 -11.968 1.00 0.00 O ATOM 592 CB LYS A 39 2.387 -1.287 -14.517 1.00 0.00 C ATOM 593 CG LYS A 39 3.843 -1.014 -14.934 1.00 0.00 C ATOM 594 CD LYS A 39 3.989 -1.049 -16.462 1.00 0.00 C ATOM 595 CE LYS A 39 5.439 -0.741 -16.865 1.00 0.00 C ATOM 596 NZ LYS A 39 5.619 -0.713 -18.332 1.00 0.00 N ATOM 0 H LYS A 39 2.551 1.032 -13.862 1.00 0.00 H new ATOM 0 HA LYS A 39 1.025 -1.114 -12.869 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.188 -2.355 -14.605 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.718 -0.780 -15.213 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.158 -0.041 -14.556 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.500 -1.758 -14.484 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.700 -2.030 -16.840 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.316 -0.322 -16.915 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.734 0.221 -16.446 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.101 -1.492 -16.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.612 -0.502 -18.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.364 -1.639 -18.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.008 0.021 -18.743 1.00 0.00 H new ATOM 610 N THR A 40 2.310 -2.394 -11.197 1.00 0.00 N ATOM 611 CA THR A 40 3.046 -3.246 -10.265 1.00 0.00 C ATOM 612 C THR A 40 3.581 -4.484 -10.995 1.00 0.00 C ATOM 613 O THR A 40 3.743 -4.498 -12.214 1.00 0.00 O ATOM 614 CB THR A 40 2.138 -3.619 -9.084 1.00 0.00 C ATOM 615 OG1 THR A 40 2.860 -4.243 -8.040 1.00 0.00 O ATOM 616 CG2 THR A 40 1.024 -4.588 -9.471 1.00 0.00 C ATOM 0 H THR A 40 1.298 -2.514 -11.156 1.00 0.00 H new ATOM 0 HA THR A 40 3.906 -2.707 -9.868 1.00 0.00 H new ATOM 0 HB THR A 40 1.714 -2.669 -8.760 1.00 0.00 H new ATOM 0 HG1 THR A 40 2.241 -4.742 -7.467 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.417 -4.813 -8.594 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.398 -4.134 -10.239 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.461 -5.509 -9.856 1.00 0.00 H new ATOM 624 N GLY A 41 3.789 -5.550 -10.228 1.00 0.00 N ATOM 625 CA GLY A 41 4.187 -6.858 -10.700 1.00 0.00 C ATOM 626 C GLY A 41 5.697 -6.906 -10.959 1.00 0.00 C ATOM 627 O GLY A 41 6.178 -7.774 -11.686 1.00 0.00 O ATOM 0 H GLY A 41 3.678 -5.516 -9.215 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.916 -7.614 -9.963 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.648 -7.098 -11.617 1.00 0.00 H new ATOM 631 N GLN A 42 6.456 -5.979 -10.356 1.00 0.00 N ATOM 632 CA GLN A 42 7.861 -5.715 -10.633 1.00 0.00 C ATOM 633 C GLN A 42 8.318 -4.560 -9.730 1.00 0.00 C ATOM 634 O GLN A 42 7.930 -3.415 -9.946 1.00 0.00 O ATOM 635 CB GLN A 42 8.069 -5.354 -12.122 1.00 0.00 C ATOM 636 CG GLN A 42 8.870 -6.427 -12.870 1.00 0.00 C ATOM 637 CD GLN A 42 9.090 -6.043 -14.331 1.00 0.00 C ATOM 638 OE1 GLN A 42 8.472 -6.600 -15.230 1.00 0.00 O ATOM 639 NE2 GLN A 42 9.984 -5.092 -14.586 1.00 0.00 N ATOM 0 H GLN A 42 6.082 -5.369 -9.629 1.00 0.00 H new ATOM 0 HA GLN A 42 8.452 -6.608 -10.428 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.099 -5.226 -12.602 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.589 -4.399 -12.194 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.834 -6.570 -12.381 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.342 -7.379 -12.818 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.485 -4.644 -13.819 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.169 -4.811 -15.549 1.00 0.00 H new ATOM 648 N ALA A 43 9.146 -4.851 -8.721 1.00 0.00 N ATOM 649 CA ALA A 43 9.897 -3.845 -7.967 1.00 0.00 C ATOM 650 C ALA A 43 11.356 -4.301 -7.844 1.00 0.00 C ATOM 651 O ALA A 43 11.707 -4.960 -6.859 1.00 0.00 O ATOM 652 CB ALA A 43 9.269 -3.595 -6.593 1.00 0.00 C ATOM 0 H ALA A 43 9.315 -5.805 -8.402 1.00 0.00 H new ATOM 0 HA ALA A 43 9.864 -2.896 -8.502 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.850 -2.843 -6.059 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.246 -3.240 -6.720 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.263 -4.523 -6.021 1.00 0.00 H new ATOM 658 N PRO A 44 12.202 -4.010 -8.848 1.00 0.00 N ATOM 659 CA PRO A 44 13.555 -4.537 -8.914 1.00 0.00 C ATOM 660 C PRO A 44 14.376 -4.001 -7.740 1.00 0.00 C ATOM 661 O PRO A 44 14.575 -2.795 -7.622 1.00 0.00 O ATOM 662 CB PRO A 44 14.108 -4.093 -10.273 1.00 0.00 C ATOM 663 CG PRO A 44 13.306 -2.834 -10.595 1.00 0.00 C ATOM 664 CD PRO A 44 11.939 -3.125 -9.974 1.00 0.00 C ATOM 0 HA PRO A 44 13.591 -5.623 -8.834 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.177 -3.885 -10.222 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.969 -4.862 -11.033 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.763 -1.944 -10.164 1.00 0.00 H new ATOM 0 HG3 PRO A 44 13.233 -2.666 -11.670 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.454 -2.206 -9.645 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.273 -3.597 -10.696 1.00 0.00 H new ATOM 672 N GLY A 45 14.822 -4.902 -6.859 1.00 0.00 N ATOM 673 CA GLY A 45 15.541 -4.559 -5.640 1.00 0.00 C ATOM 674 C GLY A 45 15.003 -5.358 -4.457 1.00 0.00 C ATOM 675 O GLY A 45 15.754 -5.697 -3.546 1.00 0.00 O ATOM 0 H GLY A 45 14.688 -5.906 -6.980 1.00 0.00 H new ATOM 0 HA2 GLY A 45 16.604 -4.761 -5.769 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.442 -3.492 -5.441 1.00 0.00 H new ATOM 679 N PHE A 46 13.699 -5.657 -4.468 1.00 0.00 N ATOM 680 CA PHE A 46 13.054 -6.437 -3.412 1.00 0.00 C ATOM 681 C PHE A 46 11.940 -7.320 -3.986 1.00 0.00 C ATOM 682 O PHE A 46 11.880 -8.503 -3.659 1.00 0.00 O ATOM 683 CB PHE A 46 12.621 -5.499 -2.267 1.00 0.00 C ATOM 684 CG PHE A 46 11.301 -5.794 -1.579 1.00 0.00 C ATOM 685 CD1 PHE A 46 11.179 -6.819 -0.617 1.00 0.00 C ATOM 686 CD2 PHE A 46 10.161 -5.069 -1.961 1.00 0.00 C ATOM 687 CE1 PHE A 46 9.917 -7.110 -0.058 1.00 0.00 C ATOM 688 CE2 PHE A 46 8.905 -5.416 -1.456 1.00 0.00 C ATOM 689 CZ PHE A 46 8.783 -6.399 -0.466 1.00 0.00 C ATOM 0 H PHE A 46 13.064 -5.364 -5.210 1.00 0.00 H new ATOM 0 HA PHE A 46 13.760 -7.141 -2.971 1.00 0.00 H new ATOM 0 HB2 PHE A 46 13.405 -5.510 -1.509 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.574 -4.485 -2.663 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.050 -7.379 -0.309 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.255 -4.240 -2.647 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.826 -7.885 0.688 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.021 -4.922 -1.832 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.821 -6.607 -0.021 1.00 0.00 H new ATOM 699 N THR A 47 11.102 -6.771 -4.874 1.00 0.00 N ATOM 700 CA THR A 47 9.906 -7.414 -5.400 1.00 0.00 C ATOM 701 C THR A 47 9.114 -8.149 -4.320 1.00 0.00 C ATOM 702 O THR A 47 9.123 -7.740 -3.165 1.00 0.00 O ATOM 703 CB THR A 47 10.172 -8.170 -6.711 1.00 0.00 C ATOM 704 OG1 THR A 47 8.945 -8.443 -7.373 1.00 0.00 O ATOM 705 CG2 THR A 47 10.968 -9.459 -6.520 1.00 0.00 C ATOM 0 H THR A 47 11.249 -5.836 -5.254 1.00 0.00 H new ATOM 0 HA THR A 47 9.210 -6.636 -5.714 1.00 0.00 H new ATOM 0 HB THR A 47 10.791 -7.517 -7.326 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.124 -8.923 -8.208 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.119 -9.940 -7.486 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.936 -9.227 -6.076 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.419 -10.132 -5.861 1.00 0.00 H new ATOM 713 N TYR A 48 8.330 -9.153 -4.693 1.00 0.00 N ATOM 714 CA TYR A 48 7.327 -9.680 -3.790 1.00 0.00 C ATOM 715 C TYR A 48 6.957 -11.107 -4.166 1.00 0.00 C ATOM 716 O TYR A 48 7.511 -11.668 -5.112 1.00 0.00 O ATOM 717 CB TYR A 48 6.106 -8.748 -3.758 1.00 0.00 C ATOM 718 CG TYR A 48 6.007 -7.675 -4.819 1.00 0.00 C ATOM 719 CD1 TYR A 48 5.438 -7.968 -6.066 1.00 0.00 C ATOM 720 CD2 TYR A 48 6.417 -6.364 -4.526 1.00 0.00 C ATOM 721 CE1 TYR A 48 5.302 -6.950 -7.021 1.00 0.00 C ATOM 722 CE2 TYR A 48 6.369 -5.372 -5.519 1.00 0.00 C ATOM 723 CZ TYR A 48 5.824 -5.674 -6.777 1.00 0.00 C ATOM 724 OH TYR A 48 5.990 -4.827 -7.830 1.00 0.00 O ATOM 0 H TYR A 48 8.371 -9.611 -5.604 1.00 0.00 H new ATOM 0 HA TYR A 48 7.738 -9.718 -2.781 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.211 -9.367 -3.824 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.084 -8.259 -2.784 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.106 -8.971 -6.290 1.00 0.00 H new ATOM 0 HD2 TYR A 48 6.770 -6.118 -3.535 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.791 -7.152 -7.951 1.00 0.00 H new ATOM 0 HE2 TYR A 48 6.749 -4.382 -5.316 1.00 0.00 H new ATOM 0 HH TYR A 48 5.116 -4.493 -8.122 1.00 0.00 H new ATOM 734 N THR A 49 6.013 -11.673 -3.414 1.00 0.00 N ATOM 735 CA THR A 49 5.402 -12.955 -3.739 1.00 0.00 C ATOM 736 C THR A 49 4.922 -12.942 -5.187 1.00 0.00 C ATOM 737 O THR A 49 4.466 -11.907 -5.664 1.00 0.00 O ATOM 738 CB THR A 49 4.217 -13.236 -2.799 1.00 0.00 C ATOM 739 OG1 THR A 49 3.308 -12.149 -2.784 1.00 0.00 O ATOM 740 CG2 THR A 49 4.705 -13.507 -1.379 1.00 0.00 C ATOM 0 H THR A 49 5.651 -11.250 -2.559 1.00 0.00 H new ATOM 0 HA THR A 49 6.145 -13.743 -3.611 1.00 0.00 H new ATOM 0 HB THR A 49 3.703 -14.120 -3.177 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.491 -12.412 -2.312 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.850 -13.703 -0.732 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.365 -14.374 -1.381 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.248 -12.638 -1.009 1.00 0.00 H new ATOM 748 N ASP A 50 4.979 -14.092 -5.862 1.00 0.00 N ATOM 749 CA ASP A 50 4.291 -14.373 -7.118 1.00 0.00 C ATOM 750 C ASP A 50 2.861 -13.844 -7.083 1.00 0.00 C ATOM 751 O ASP A 50 2.400 -13.253 -8.049 1.00 0.00 O ATOM 752 CB ASP A 50 4.301 -15.892 -7.353 1.00 0.00 C ATOM 753 CG ASP A 50 3.525 -16.667 -6.292 1.00 0.00 C ATOM 754 OD1 ASP A 50 3.533 -16.197 -5.129 1.00 0.00 O ATOM 755 OD2 ASP A 50 2.927 -17.696 -6.666 1.00 0.00 O ATOM 0 H ASP A 50 5.530 -14.884 -5.532 1.00 0.00 H new ATOM 0 HA ASP A 50 4.806 -13.870 -7.937 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.875 -16.105 -8.334 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.332 -16.244 -7.370 1.00 0.00 H new ATOM 760 N ALA A 51 2.164 -14.016 -5.967 1.00 0.00 N ATOM 761 CA ALA A 51 0.785 -13.585 -5.816 1.00 0.00 C ATOM 762 C ALA A 51 0.600 -12.088 -6.092 1.00 0.00 C ATOM 763 O ALA A 51 -0.402 -11.695 -6.688 1.00 0.00 O ATOM 764 CB ALA A 51 0.292 -14.009 -4.429 1.00 0.00 C ATOM 0 H ALA A 51 2.547 -14.464 -5.134 1.00 0.00 H new ATOM 0 HA ALA A 51 0.169 -14.074 -6.571 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.743 -13.693 -4.298 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.355 -15.093 -4.336 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.913 -13.543 -3.664 1.00 0.00 H new ATOM 770 N ASN A 52 1.571 -11.252 -5.709 1.00 0.00 N ATOM 771 CA ASN A 52 1.582 -9.840 -6.069 1.00 0.00 C ATOM 772 C ASN A 52 2.278 -9.634 -7.420 1.00 0.00 C ATOM 773 O ASN A 52 1.850 -8.805 -8.220 1.00 0.00 O ATOM 774 CB ASN A 52 2.253 -9.027 -4.953 1.00 0.00 C ATOM 775 CG ASN A 52 1.322 -8.745 -3.768 1.00 0.00 C ATOM 776 OD1 ASN A 52 0.932 -9.653 -3.044 1.00 0.00 O ATOM 777 ND2 ASN A 52 0.965 -7.479 -3.541 1.00 0.00 N ATOM 0 H ASN A 52 2.368 -11.540 -5.141 1.00 0.00 H new ATOM 0 HA ASN A 52 0.557 -9.486 -6.177 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.131 -9.566 -4.597 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.605 -8.081 -5.363 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.357 -7.254 -2.753 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.300 -6.737 -4.155 1.00 0.00 H new ATOM 784 N LYS A 53 3.344 -10.386 -7.702 1.00 0.00 N ATOM 785 CA LYS A 53 4.182 -10.189 -8.877 1.00 0.00 C ATOM 786 C LYS A 53 3.374 -10.441 -10.150 1.00 0.00 C ATOM 787 O LYS A 53 3.531 -9.762 -11.160 1.00 0.00 O ATOM 788 CB LYS A 53 5.445 -11.054 -8.822 1.00 0.00 C ATOM 789 CG LYS A 53 6.486 -10.474 -9.789 1.00 0.00 C ATOM 790 CD LYS A 53 7.777 -11.291 -9.767 1.00 0.00 C ATOM 791 CE LYS A 53 8.739 -10.696 -10.804 1.00 0.00 C ATOM 792 NZ LYS A 53 10.021 -11.428 -10.854 1.00 0.00 N ATOM 0 H LYS A 53 3.650 -11.158 -7.110 1.00 0.00 H new ATOM 0 HA LYS A 53 4.517 -9.152 -8.889 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.843 -11.076 -7.808 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.210 -12.083 -9.094 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.079 -10.460 -10.800 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.702 -9.441 -9.518 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.226 -11.266 -8.774 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.569 -12.336 -9.997 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.270 -10.718 -11.788 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.928 -9.650 -10.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.641 -10.994 -11.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.482 -11.386 -9.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.844 -12.421 -11.108 1.00 0.00 H new ATOM 806 N ASN A 54 2.491 -11.430 -10.074 1.00 0.00 N ATOM 807 CA ASN A 54 1.594 -11.840 -11.132 1.00 0.00 C ATOM 808 C ASN A 54 0.567 -10.742 -11.445 1.00 0.00 C ATOM 809 O ASN A 54 -0.027 -10.745 -12.519 1.00 0.00 O ATOM 810 CB ASN A 54 0.879 -13.124 -10.690 1.00 0.00 C ATOM 811 CG ASN A 54 -0.058 -13.667 -11.763 1.00 0.00 C ATOM 812 OD1 ASN A 54 -1.270 -13.490 -11.688 1.00 0.00 O ATOM 813 ND2 ASN A 54 0.491 -14.363 -12.756 1.00 0.00 N ATOM 0 H ASN A 54 2.381 -11.991 -9.229 1.00 0.00 H new ATOM 0 HA ASN A 54 2.168 -12.020 -12.041 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.621 -13.883 -10.442 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.310 -12.925 -9.782 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.100 -14.767 -13.483 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.502 -14.492 -12.790 1.00 0.00 H new ATOM 820 N LYS A 55 0.300 -9.844 -10.487 1.00 0.00 N ATOM 821 CA LYS A 55 -0.937 -9.068 -10.468 1.00 0.00 C ATOM 822 C LYS A 55 -1.008 -8.027 -11.593 1.00 0.00 C ATOM 823 O LYS A 55 -2.011 -7.962 -12.299 1.00 0.00 O ATOM 824 CB LYS A 55 -1.122 -8.440 -9.079 1.00 0.00 C ATOM 825 CG LYS A 55 -2.492 -7.782 -8.872 1.00 0.00 C ATOM 826 CD LYS A 55 -3.659 -8.785 -8.849 1.00 0.00 C ATOM 827 CE LYS A 55 -4.591 -8.559 -10.051 1.00 0.00 C ATOM 828 NZ LYS A 55 -5.695 -9.539 -10.098 1.00 0.00 N ATOM 0 H LYS A 55 0.932 -9.640 -9.713 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.768 -9.747 -10.661 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.982 -9.211 -8.321 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.344 -7.693 -8.922 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.482 -7.228 -7.934 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.662 -7.057 -9.668 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.271 -9.803 -8.869 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.221 -8.677 -7.921 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.005 -7.552 -10.003 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.013 -8.622 -10.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.296 -9.346 -10.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.304 -10.500 -10.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.264 -9.462 -9.231 1.00 0.00 H new ATOM 842 N GLY A 56 0.020 -7.186 -11.729 1.00 0.00 N ATOM 843 CA GLY A 56 0.134 -6.229 -12.828 1.00 0.00 C ATOM 844 C GLY A 56 -1.072 -5.288 -12.979 1.00 0.00 C ATOM 845 O GLY A 56 -1.684 -5.226 -14.042 1.00 0.00 O ATOM 0 H GLY A 56 0.801 -7.151 -11.074 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.031 -5.628 -12.679 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.269 -6.779 -13.760 1.00 0.00 H new ATOM 849 N ILE A 57 -1.382 -4.511 -11.936 1.00 0.00 N ATOM 850 CA ILE A 57 -2.350 -3.432 -11.934 1.00 0.00 C ATOM 851 C ILE A 57 -1.647 -2.106 -11.673 1.00 0.00 C ATOM 852 O ILE A 57 -0.528 -2.068 -11.176 1.00 0.00 O ATOM 853 CB ILE A 57 -3.374 -3.638 -10.818 1.00 0.00 C ATOM 854 CG1 ILE A 57 -2.725 -3.829 -9.435 1.00 0.00 C ATOM 855 CG2 ILE A 57 -4.334 -4.779 -11.177 1.00 0.00 C ATOM 856 CD1 ILE A 57 -3.669 -3.336 -8.345 1.00 0.00 C ATOM 0 H ILE A 57 -0.936 -4.632 -11.027 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.845 -3.423 -12.905 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.957 -2.720 -10.736 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.491 -4.882 -9.276 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.783 -3.282 -9.387 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.057 -4.913 -10.372 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.860 -4.535 -12.100 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.769 -5.701 -11.314 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.203 -3.475 -7.370 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.881 -2.278 -8.499 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.599 -3.902 -8.386 1.00 0.00 H new ATOM 868 N THR A 58 -2.345 -1.010 -11.946 1.00 0.00 N ATOM 869 CA THR A 58 -1.819 0.344 -11.978 1.00 0.00 C ATOM 870 C THR A 58 -1.905 1.037 -10.605 1.00 0.00 C ATOM 871 O THR A 58 -2.058 2.260 -10.550 1.00 0.00 O ATOM 872 CB THR A 58 -2.655 1.047 -13.059 1.00 0.00 C ATOM 873 OG1 THR A 58 -2.912 0.118 -14.102 1.00 0.00 O ATOM 874 CG2 THR A 58 -1.976 2.277 -13.647 1.00 0.00 C ATOM 0 H THR A 58 -3.341 -1.046 -12.161 1.00 0.00 H new ATOM 0 HA THR A 58 -0.754 0.371 -12.210 1.00 0.00 H new ATOM 0 HB THR A 58 -3.574 1.392 -12.585 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.447 0.550 -14.800 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.622 2.723 -14.403 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.789 3.003 -12.856 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.030 1.987 -14.104 1.00 0.00 H new ATOM 882 N TRP A 59 -1.871 0.240 -9.524 1.00 0.00 N ATOM 883 CA TRP A 59 -2.263 0.589 -8.156 1.00 0.00 C ATOM 884 C TRP A 59 -3.129 1.842 -8.078 1.00 0.00 C ATOM 885 O TRP A 59 -2.738 2.857 -7.506 1.00 0.00 O ATOM 886 CB TRP A 59 -1.054 0.632 -7.218 1.00 0.00 C ATOM 887 CG TRP A 59 -0.576 -0.708 -6.763 1.00 0.00 C ATOM 888 CD1 TRP A 59 0.666 -1.193 -6.957 1.00 0.00 C ATOM 889 CD2 TRP A 59 -1.287 -1.727 -5.991 1.00 0.00 C ATOM 890 NE1 TRP A 59 0.743 -2.473 -6.453 1.00 0.00 N ATOM 891 CE2 TRP A 59 -0.436 -2.863 -5.853 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.556 -1.802 -5.372 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -0.832 -4.024 -5.172 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -2.940 -2.941 -4.637 1.00 0.00 C ATOM 895 CH2 TRP A 59 -2.090 -4.057 -4.553 1.00 0.00 C ATOM 0 H TRP A 59 -1.548 -0.725 -9.591 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.907 -0.216 -7.801 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -0.235 1.143 -7.724 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.310 1.229 -6.343 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.476 -0.661 -7.434 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.573 -3.062 -6.516 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.242 -0.973 -5.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.177 -4.881 -5.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -3.896 -2.957 -4.134 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.405 -4.938 -4.013 1.00 0.00 H new ATOM 906 N LYS A 60 -4.334 1.740 -8.643 1.00 0.00 N ATOM 907 CA LYS A 60 -5.311 2.805 -8.557 1.00 0.00 C ATOM 908 C LYS A 60 -6.082 2.673 -7.241 1.00 0.00 C ATOM 909 O LYS A 60 -6.034 1.635 -6.570 1.00 0.00 O ATOM 910 CB LYS A 60 -6.254 2.775 -9.768 1.00 0.00 C ATOM 911 CG LYS A 60 -6.909 1.401 -9.968 1.00 0.00 C ATOM 912 CD LYS A 60 -8.209 1.492 -10.769 1.00 0.00 C ATOM 913 CE LYS A 60 -8.045 1.447 -12.290 1.00 0.00 C ATOM 914 NZ LYS A 60 -9.335 1.762 -12.939 1.00 0.00 N ATOM 0 H LYS A 60 -4.649 0.923 -9.166 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.803 3.769 -8.570 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.031 3.529 -9.639 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.696 3.042 -10.666 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.212 0.740 -10.483 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.114 0.953 -8.996 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.861 0.673 -10.466 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.717 2.419 -10.502 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.284 2.161 -12.605 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.703 0.460 -12.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.365 1.324 -13.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.115 1.391 -12.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.434 2.793 -13.033 1.00 0.00 H new ATOM 928 N GLU A 61 -6.843 3.719 -6.922 1.00 0.00 N ATOM 929 CA GLU A 61 -7.642 3.799 -5.702 1.00 0.00 C ATOM 930 C GLU A 61 -8.542 2.591 -5.537 1.00 0.00 C ATOM 931 O GLU A 61 -8.584 2.006 -4.456 1.00 0.00 O ATOM 932 CB GLU A 61 -8.382 5.140 -5.550 1.00 0.00 C ATOM 933 CG GLU A 61 -8.846 5.810 -6.855 1.00 0.00 C ATOM 934 CD GLU A 61 -9.518 7.153 -6.587 1.00 0.00 C ATOM 935 OE1 GLU A 61 -9.232 7.741 -5.518 1.00 0.00 O ATOM 936 OE2 GLU A 61 -10.276 7.601 -7.467 1.00 0.00 O ATOM 0 H GLU A 61 -6.922 4.546 -7.513 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.941 3.773 -4.868 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.255 4.980 -4.917 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.729 5.834 -5.022 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.990 5.956 -7.514 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.541 5.152 -7.376 1.00 0.00 H new ATOM 943 N GLU A 62 -9.222 2.191 -6.608 1.00 0.00 N ATOM 944 CA GLU A 62 -10.182 1.114 -6.514 1.00 0.00 C ATOM 945 C GLU A 62 -9.517 -0.156 -5.961 1.00 0.00 C ATOM 946 O GLU A 62 -9.986 -0.791 -5.017 1.00 0.00 O ATOM 947 CB GLU A 62 -10.815 0.835 -7.893 1.00 0.00 C ATOM 948 CG GLU A 62 -11.223 2.072 -8.711 1.00 0.00 C ATOM 949 CD GLU A 62 -11.823 1.653 -10.051 1.00 0.00 C ATOM 950 OE1 GLU A 62 -12.999 1.239 -10.047 1.00 0.00 O ATOM 951 OE2 GLU A 62 -11.083 1.715 -11.060 1.00 0.00 O ATOM 0 H GLU A 62 -9.122 2.596 -7.539 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.971 1.416 -5.825 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.109 0.251 -8.483 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.698 0.214 -7.746 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.947 2.663 -8.151 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.354 2.708 -8.878 1.00 0.00 H new ATOM 958 N THR A 63 -8.384 -0.508 -6.568 1.00 0.00 N ATOM 959 CA THR A 63 -7.646 -1.712 -6.262 1.00 0.00 C ATOM 960 C THR A 63 -6.976 -1.597 -4.899 1.00 0.00 C ATOM 961 O THR A 63 -6.990 -2.554 -4.127 1.00 0.00 O ATOM 962 CB THR A 63 -6.637 -1.973 -7.384 1.00 0.00 C ATOM 963 OG1 THR A 63 -6.008 -0.778 -7.825 1.00 0.00 O ATOM 964 CG2 THR A 63 -7.356 -2.584 -8.592 1.00 0.00 C ATOM 0 H THR A 63 -7.952 0.055 -7.301 1.00 0.00 H new ATOM 0 HA THR A 63 -8.324 -2.563 -6.205 1.00 0.00 H new ATOM 0 HB THR A 63 -5.882 -2.648 -6.981 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.058 -0.102 -7.117 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.636 -2.769 -9.389 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.823 -3.525 -8.300 1.00 0.00 H new ATOM 0 HG23 THR A 63 -8.121 -1.894 -8.947 1.00 0.00 H new ATOM 972 N LEU A 64 -6.400 -0.429 -4.589 1.00 0.00 N ATOM 973 CA LEU A 64 -5.882 -0.183 -3.256 1.00 0.00 C ATOM 974 C LEU A 64 -6.975 -0.419 -2.217 1.00 0.00 C ATOM 975 O LEU A 64 -6.714 -1.060 -1.209 1.00 0.00 O ATOM 976 CB LEU A 64 -5.352 1.248 -3.125 1.00 0.00 C ATOM 977 CG LEU A 64 -3.824 1.369 -3.225 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.424 2.019 -4.546 1.00 0.00 C ATOM 979 CD2 LEU A 64 -3.301 2.224 -2.068 1.00 0.00 C ATOM 0 H LEU A 64 -6.286 0.347 -5.241 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.058 -0.875 -3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.805 1.863 -3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.675 1.656 -2.167 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.393 0.369 -3.175 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.338 2.097 -4.599 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.785 1.411 -5.375 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.862 3.015 -4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.217 2.309 -2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.747 3.217 -2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.566 1.755 -1.120 1.00 0.00 H new ATOM 991 N MET A 65 -8.182 0.100 -2.439 1.00 0.00 N ATOM 992 CA MET A 65 -9.269 -0.022 -1.494 1.00 0.00 C ATOM 993 C MET A 65 -9.551 -1.499 -1.230 1.00 0.00 C ATOM 994 O MET A 65 -9.545 -1.921 -0.077 1.00 0.00 O ATOM 995 CB MET A 65 -10.495 0.737 -2.021 1.00 0.00 C ATOM 996 CG MET A 65 -11.501 1.042 -0.907 1.00 0.00 C ATOM 997 SD MET A 65 -13.189 0.415 -1.133 1.00 0.00 S ATOM 998 CE MET A 65 -12.893 -1.358 -0.997 1.00 0.00 C ATOM 0 H MET A 65 -8.425 0.617 -3.284 1.00 0.00 H new ATOM 0 HA MET A 65 -9.001 0.429 -0.538 1.00 0.00 H new ATOM 0 HB2 MET A 65 -10.173 1.670 -2.484 1.00 0.00 H new ATOM 0 HB3 MET A 65 -10.981 0.146 -2.797 1.00 0.00 H new ATOM 0 HG2 MET A 65 -11.109 0.634 0.025 1.00 0.00 H new ATOM 0 HG3 MET A 65 -11.554 2.124 -0.784 1.00 0.00 H new ATOM 0 HE1 MET A 65 -13.843 -1.876 -0.864 1.00 0.00 H new ATOM 0 HE2 MET A 65 -12.408 -1.717 -1.905 1.00 0.00 H new ATOM 0 HE3 MET A 65 -12.249 -1.555 -0.140 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.772 -2.287 -2.291 1.00 0.00 N ATOM 1009 CA GLU A 66 -10.082 -3.706 -2.124 1.00 0.00 C ATOM 1010 C GLU A 66 -8.958 -4.411 -1.352 1.00 0.00 C ATOM 1011 O GLU A 66 -9.201 -5.149 -0.395 1.00 0.00 O ATOM 1012 CB GLU A 66 -10.338 -4.377 -3.485 1.00 0.00 C ATOM 1013 CG GLU A 66 -11.114 -5.692 -3.294 1.00 0.00 C ATOM 1014 CD GLU A 66 -11.133 -6.576 -4.536 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -11.045 -6.010 -5.647 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -11.196 -7.812 -4.348 1.00 0.00 O ATOM 0 H GLU A 66 -9.742 -1.968 -3.259 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.998 -3.795 -1.540 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.903 -3.704 -4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.390 -4.576 -3.984 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.671 -6.249 -2.469 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.140 -5.460 -3.008 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.714 -4.167 -1.772 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.535 -4.777 -1.174 1.00 0.00 C ATOM 1025 C TYR A 67 -6.464 -4.458 0.311 1.00 0.00 C ATOM 1026 O TYR A 67 -6.502 -5.358 1.137 1.00 0.00 O ATOM 1027 CB TYR A 67 -5.298 -4.281 -1.921 1.00 0.00 C ATOM 1028 CG TYR A 67 -3.973 -4.863 -1.469 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.784 -6.257 -1.392 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -2.880 -4.009 -1.256 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.501 -6.792 -1.181 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.617 -4.546 -0.979 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.417 -5.933 -0.959 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.169 -6.440 -0.766 1.00 0.00 O ATOM 0 H TYR A 67 -7.500 -3.535 -2.543 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.588 -5.862 -1.262 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.426 -4.500 -2.981 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.249 -3.197 -1.823 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.631 -6.919 -1.496 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.013 -2.938 -1.306 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.352 -7.862 -1.190 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.788 -3.884 -0.778 1.00 0.00 H new ATOM 0 HH TYR A 67 0.186 -6.118 0.089 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.364 -3.183 0.662 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.255 -2.760 2.048 1.00 0.00 C ATOM 1046 C LEU A 68 -7.409 -3.288 2.895 1.00 0.00 C ATOM 1047 O LEU A 68 -7.186 -3.733 4.022 1.00 0.00 O ATOM 1048 CB LEU A 68 -6.150 -1.230 2.148 1.00 0.00 C ATOM 1049 CG LEU A 68 -4.712 -0.695 2.074 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -3.843 -1.390 3.124 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -4.062 -0.844 0.697 1.00 0.00 C ATOM 0 H LEU A 68 -6.356 -2.414 -0.008 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.338 -3.191 2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.735 -0.783 1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.599 -0.906 3.087 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.779 0.375 2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.825 -1.006 3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.248 -1.196 4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.837 -2.464 2.938 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.049 -0.443 0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.027 -1.899 0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.647 -0.297 -0.042 1.00 0.00 H new ATOM 1063 N GLU A 69 -8.628 -3.249 2.355 1.00 0.00 N ATOM 1064 CA GLU A 69 -9.795 -3.741 3.065 1.00 0.00 C ATOM 1065 C GLU A 69 -9.643 -5.240 3.356 1.00 0.00 C ATOM 1066 O GLU A 69 -9.964 -5.688 4.457 1.00 0.00 O ATOM 1067 CB GLU A 69 -11.064 -3.400 2.269 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.341 -3.524 3.110 1.00 0.00 C ATOM 1069 CD GLU A 69 -13.569 -3.070 2.324 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -13.785 -1.837 2.253 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -14.266 -3.965 1.802 1.00 0.00 O ATOM 0 H GLU A 69 -8.826 -2.879 1.425 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.886 -3.248 4.033 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.984 -2.383 1.884 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.136 -4.063 1.406 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.471 -4.559 3.427 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.243 -2.924 4.015 1.00 0.00 H new ATOM 1078 N ASN A 70 -9.154 -6.029 2.389 1.00 0.00 N ATOM 1079 CA ASN A 70 -9.098 -7.483 2.530 1.00 0.00 C ATOM 1080 C ASN A 70 -7.946 -8.109 1.734 1.00 0.00 C ATOM 1081 O ASN A 70 -8.177 -8.764 0.719 1.00 0.00 O ATOM 1082 CB ASN A 70 -10.442 -8.054 2.070 1.00 0.00 C ATOM 1083 CG ASN A 70 -10.718 -9.423 2.676 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -9.816 -10.100 3.160 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -11.980 -9.847 2.650 1.00 0.00 N ATOM 0 H ASN A 70 -8.792 -5.680 1.501 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.910 -7.727 3.576 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.242 -7.367 2.347 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.450 -8.131 0.983 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.220 -10.759 3.040 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.707 -9.260 2.240 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.690 -7.958 2.165 1.00 0.00 N ATOM 1093 CA PRO A 71 -5.549 -8.153 1.283 1.00 0.00 C ATOM 1094 C PRO A 71 -5.376 -9.613 0.863 1.00 0.00 C ATOM 1095 O PRO A 71 -5.165 -9.901 -0.315 1.00 0.00 O ATOM 1096 CB PRO A 71 -4.346 -7.547 2.012 1.00 0.00 C ATOM 1097 CG PRO A 71 -4.779 -7.487 3.477 1.00 0.00 C ATOM 1098 CD PRO A 71 -6.301 -7.363 3.426 1.00 0.00 C ATOM 0 HA PRO A 71 -5.685 -7.649 0.326 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.454 -8.161 1.886 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.107 -6.556 1.628 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.472 -8.382 4.018 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.329 -6.636 3.989 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.766 -7.880 4.265 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.613 -6.320 3.482 1.00 0.00 H new ATOM 1106 N LYS A 72 -5.525 -10.543 1.809 1.00 0.00 N ATOM 1107 CA LYS A 72 -5.496 -11.971 1.528 1.00 0.00 C ATOM 1108 C LYS A 72 -6.726 -12.457 0.736 1.00 0.00 C ATOM 1109 O LYS A 72 -6.765 -13.630 0.370 1.00 0.00 O ATOM 1110 CB LYS A 72 -5.316 -12.752 2.842 1.00 0.00 C ATOM 1111 CG LYS A 72 -3.879 -12.695 3.399 1.00 0.00 C ATOM 1112 CD LYS A 72 -3.663 -11.608 4.464 1.00 0.00 C ATOM 1113 CE LYS A 72 -4.182 -12.015 5.854 1.00 0.00 C ATOM 1114 NZ LYS A 72 -3.296 -12.989 6.528 1.00 0.00 N ATOM 0 H LYS A 72 -5.669 -10.321 2.794 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.642 -12.164 0.879 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.003 -12.354 3.589 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.592 -13.793 2.677 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.628 -13.665 3.829 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.187 -12.523 2.574 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.599 -11.380 4.532 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.165 -10.693 4.148 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.279 -11.126 6.477 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.179 -12.444 5.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.690 -13.230 7.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.223 -13.850 5.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.351 -12.572 6.649 1.00 0.00 H new ATOM 1128 N LYS A 73 -7.722 -11.600 0.467 1.00 0.00 N ATOM 1129 CA LYS A 73 -8.855 -11.939 -0.389 1.00 0.00 C ATOM 1130 C LYS A 73 -8.660 -11.327 -1.774 1.00 0.00 C ATOM 1131 O LYS A 73 -8.930 -11.992 -2.776 1.00 0.00 O ATOM 1132 CB LYS A 73 -10.166 -11.499 0.270 1.00 0.00 C ATOM 1133 CG LYS A 73 -11.423 -12.003 -0.457 1.00 0.00 C ATOM 1134 CD LYS A 73 -11.896 -11.020 -1.546 1.00 0.00 C ATOM 1135 CE LYS A 73 -12.438 -11.709 -2.806 1.00 0.00 C ATOM 1136 NZ LYS A 73 -11.403 -12.500 -3.505 1.00 0.00 N ATOM 0 H LYS A 73 -7.759 -10.652 0.841 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.911 -13.020 -0.517 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.184 -11.858 1.299 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.194 -10.410 0.312 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.215 -12.972 -0.910 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -12.224 -12.154 0.267 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.673 -10.378 -1.131 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.064 -10.373 -1.825 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.267 -12.362 -2.532 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.837 -10.956 -3.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.207 -12.073 -4.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.531 -12.510 -2.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.741 -13.475 -3.637 1.00 0.00 H new ATOM 1150 N TYR A 74 -8.234 -10.062 -1.851 1.00 0.00 N ATOM 1151 CA TYR A 74 -7.806 -9.455 -3.103 1.00 0.00 C ATOM 1152 C TYR A 74 -6.778 -10.341 -3.815 1.00 0.00 C ATOM 1153 O TYR A 74 -6.919 -10.615 -5.007 1.00 0.00 O ATOM 1154 CB TYR A 74 -7.216 -8.073 -2.809 1.00 0.00 C ATOM 1155 CG TYR A 74 -6.659 -7.360 -4.027 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -7.535 -6.857 -5.004 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -5.270 -7.298 -4.246 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -7.031 -6.342 -6.209 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -4.763 -6.722 -5.421 1.00 0.00 C ATOM 1160 CZ TYR A 74 -5.646 -6.290 -6.423 1.00 0.00 C ATOM 1161 OH TYR A 74 -5.162 -5.961 -7.650 1.00 0.00 O ATOM 0 H TYR A 74 -8.178 -9.437 -1.047 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.665 -9.351 -3.765 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.988 -7.449 -2.359 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.422 -8.180 -2.070 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.600 -6.867 -4.827 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.591 -7.696 -3.506 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.709 -5.986 -6.970 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.697 -6.611 -5.554 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.909 -5.794 -8.262 1.00 0.00 H new ATOM 1171 N ILE A 75 -5.740 -10.772 -3.088 1.00 0.00 N ATOM 1172 CA ILE A 75 -4.640 -11.570 -3.627 1.00 0.00 C ATOM 1173 C ILE A 75 -4.527 -12.918 -2.896 1.00 0.00 C ATOM 1174 O ILE A 75 -4.579 -12.954 -1.664 1.00 0.00 O ATOM 1175 CB ILE A 75 -3.342 -10.736 -3.585 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -3.190 -10.031 -4.945 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -2.097 -11.586 -3.304 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -2.095 -8.966 -4.941 1.00 0.00 C ATOM 0 H ILE A 75 -5.642 -10.571 -2.093 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.834 -11.821 -4.670 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.420 -10.020 -2.767 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.965 -10.773 -5.711 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.139 -9.569 -5.218 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.215 -10.945 -3.286 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.205 -12.081 -2.339 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.985 -12.336 -4.087 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.034 -8.503 -5.926 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.330 -8.205 -4.197 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.138 -9.429 -4.698 1.00 0.00 H new ATOM 1190 N PRO A 76 -4.335 -14.031 -3.627 1.00 0.00 N ATOM 1191 CA PRO A 76 -4.241 -15.362 -3.047 1.00 0.00 C ATOM 1192 C PRO A 76 -2.881 -15.571 -2.369 1.00 0.00 C ATOM 1193 O PRO A 76 -2.007 -16.242 -2.912 1.00 0.00 O ATOM 1194 CB PRO A 76 -4.464 -16.323 -4.221 1.00 0.00 C ATOM 1195 CG PRO A 76 -3.868 -15.557 -5.402 1.00 0.00 C ATOM 1196 CD PRO A 76 -4.249 -14.113 -5.081 1.00 0.00 C ATOM 0 HA PRO A 76 -4.978 -15.527 -2.261 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.962 -17.278 -4.063 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.522 -16.540 -4.371 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.788 -15.687 -5.467 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.287 -15.886 -6.353 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.503 -13.418 -5.467 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.200 -13.849 -5.543 1.00 0.00 H new ATOM 1204 N GLY A 77 -2.716 -15.032 -1.159 1.00 0.00 N ATOM 1205 CA GLY A 77 -1.582 -15.362 -0.300 1.00 0.00 C ATOM 1206 C GLY A 77 -0.449 -14.348 -0.431 1.00 0.00 C ATOM 1207 O GLY A 77 0.664 -14.680 -0.825 1.00 0.00 O ATOM 0 H GLY A 77 -3.363 -14.358 -0.750 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.913 -15.403 0.738 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.211 -16.355 -0.555 1.00 0.00 H new ATOM 1211 N THR A 78 -0.739 -13.106 -0.048 1.00 0.00 N ATOM 1212 CA THR A 78 0.240 -12.039 0.046 1.00 0.00 C ATOM 1213 C THR A 78 1.086 -12.211 1.317 1.00 0.00 C ATOM 1214 O THR A 78 0.600 -12.677 2.351 1.00 0.00 O ATOM 1215 CB THR A 78 -0.477 -10.675 -0.023 1.00 0.00 C ATOM 1216 OG1 THR A 78 0.365 -9.641 0.410 1.00 0.00 O ATOM 1217 CG2 THR A 78 -1.740 -10.591 0.837 1.00 0.00 C ATOM 0 H THR A 78 -1.682 -12.813 0.210 1.00 0.00 H new ATOM 0 HA THR A 78 0.931 -12.082 -0.796 1.00 0.00 H new ATOM 0 HB THR A 78 -0.752 -10.570 -1.072 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.131 -8.811 -0.056 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.185 -9.601 0.734 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.454 -11.346 0.509 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.481 -10.765 1.881 1.00 0.00 H new ATOM 1225 N LYS A 79 2.345 -11.777 1.236 1.00 0.00 N ATOM 1226 CA LYS A 79 3.303 -11.629 2.329 1.00 0.00 C ATOM 1227 C LYS A 79 3.033 -10.321 3.092 1.00 0.00 C ATOM 1228 O LYS A 79 3.792 -9.958 3.987 1.00 0.00 O ATOM 1229 CB LYS A 79 4.705 -11.662 1.693 1.00 0.00 C ATOM 1230 CG LYS A 79 5.953 -11.557 2.588 1.00 0.00 C ATOM 1231 CD LYS A 79 7.189 -11.319 1.694 1.00 0.00 C ATOM 1232 CE LYS A 79 8.287 -12.378 1.853 1.00 0.00 C ATOM 1233 NZ LYS A 79 9.027 -12.239 3.123 1.00 0.00 N ATOM 0 H LYS A 79 2.749 -11.501 0.341 1.00 0.00 H new ATOM 0 HA LYS A 79 3.216 -12.431 3.062 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.785 -12.592 1.131 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.754 -10.848 0.970 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.839 -10.739 3.300 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.078 -12.470 3.169 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.871 -11.294 0.652 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.608 -10.339 1.924 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.840 -13.371 1.804 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.985 -12.301 1.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.757 -12.977 3.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.478 -11.303 3.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.368 -12.339 3.921 1.00 0.00 H new ATOM 1247 N MET A 80 1.952 -9.604 2.775 1.00 0.00 N ATOM 1248 CA MET A 80 1.619 -8.349 3.421 1.00 0.00 C ATOM 1249 C MET A 80 1.315 -8.492 4.913 1.00 0.00 C ATOM 1250 O MET A 80 1.600 -7.596 5.699 1.00 0.00 O ATOM 1251 CB MET A 80 0.489 -7.690 2.642 1.00 0.00 C ATOM 1252 CG MET A 80 0.037 -6.374 3.262 1.00 0.00 C ATOM 1253 SD MET A 80 0.110 -4.956 2.147 1.00 0.00 S ATOM 1254 CE MET A 80 -1.532 -4.235 2.382 1.00 0.00 C ATOM 0 H MET A 80 1.284 -9.887 2.058 1.00 0.00 H new ATOM 0 HA MET A 80 2.495 -7.701 3.398 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.816 -7.511 1.618 1.00 0.00 H new ATOM 0 HB3 MET A 80 -0.359 -8.373 2.592 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.987 -6.488 3.618 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.657 -6.166 4.134 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.633 -3.349 1.755 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.293 -4.965 2.105 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.661 -3.956 3.428 1.00 0.00 H new ATOM 1264 N ILE A 81 0.728 -9.622 5.294 1.00 0.00 N ATOM 1265 CA ILE A 81 0.353 -9.948 6.664 1.00 0.00 C ATOM 1266 C ILE A 81 -0.428 -8.782 7.291 1.00 0.00 C ATOM 1267 O ILE A 81 0.050 -8.108 8.201 1.00 0.00 O ATOM 1268 CB ILE A 81 1.612 -10.323 7.471 1.00 0.00 C ATOM 1269 CG1 ILE A 81 2.494 -11.380 6.779 1.00 0.00 C ATOM 1270 CG2 ILE A 81 1.289 -10.794 8.898 1.00 0.00 C ATOM 1271 CD1 ILE A 81 1.899 -12.791 6.747 1.00 0.00 C ATOM 0 H ILE A 81 0.492 -10.362 4.633 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.310 -10.813 6.674 1.00 0.00 H new ATOM 0 HB ILE A 81 2.176 -9.392 7.526 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.686 -11.059 5.755 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.457 -11.418 7.287 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.214 -11.044 9.417 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.775 -9.998 9.436 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.648 -11.675 8.854 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.590 -13.466 6.241 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.733 -13.139 7.767 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.950 -12.774 6.211 1.00 0.00 H new ATOM 1283 N PHE A 82 -1.643 -8.530 6.794 1.00 0.00 N ATOM 1284 CA PHE A 82 -2.439 -7.400 7.246 1.00 0.00 C ATOM 1285 C PHE A 82 -3.926 -7.736 7.171 1.00 0.00 C ATOM 1286 O PHE A 82 -4.301 -8.652 6.439 1.00 0.00 O ATOM 1287 CB PHE A 82 -2.081 -6.176 6.398 1.00 0.00 C ATOM 1288 CG PHE A 82 -2.298 -4.875 7.125 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -1.418 -4.534 8.165 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -3.366 -4.024 6.795 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -1.529 -3.291 8.803 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -3.519 -2.809 7.481 1.00 0.00 C ATOM 1293 CZ PHE A 82 -2.574 -2.424 8.451 1.00 0.00 C ATOM 0 H PHE A 82 -2.092 -9.099 6.077 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.219 -7.174 8.289 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.037 -6.245 6.092 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.681 -6.182 5.488 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -0.654 -5.232 8.474 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.064 -4.303 6.019 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -0.815 -3.003 9.560 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.362 -2.169 7.265 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.654 -1.457 8.926 1.00 0.00 H new ATOM 1303 N ALA A 83 -4.754 -7.032 7.951 1.00 0.00 N ATOM 1304 CA ALA A 83 -6.174 -7.321 8.109 1.00 0.00 C ATOM 1305 C ALA A 83 -6.866 -6.159 8.836 1.00 0.00 C ATOM 1306 O ALA A 83 -7.153 -6.257 10.027 1.00 0.00 O ATOM 1307 CB ALA A 83 -6.334 -8.632 8.890 1.00 0.00 C ATOM 0 H ALA A 83 -4.444 -6.230 8.499 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.643 -7.434 7.131 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.394 -8.855 9.013 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.853 -9.443 8.343 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.869 -8.530 9.871 1.00 0.00 H new ATOM 1313 N GLY A 84 -7.144 -5.066 8.119 1.00 0.00 N ATOM 1314 CA GLY A 84 -7.793 -3.888 8.689 1.00 0.00 C ATOM 1315 C GLY A 84 -6.809 -3.039 9.497 1.00 0.00 C ATOM 1316 O GLY A 84 -5.693 -3.477 9.779 1.00 0.00 O ATOM 0 H GLY A 84 -6.924 -4.976 7.127 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.223 -3.285 7.889 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.617 -4.200 9.330 1.00 0.00 H new ATOM 1320 N ILE A 85 -7.198 -1.807 9.849 1.00 0.00 N ATOM 1321 CA ILE A 85 -6.288 -0.839 10.449 1.00 0.00 C ATOM 1322 C ILE A 85 -6.994 0.092 11.436 1.00 0.00 C ATOM 1323 O ILE A 85 -6.389 0.444 12.455 1.00 0.00 O ATOM 1324 CB ILE A 85 -5.493 -0.095 9.355 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -4.823 1.171 9.904 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -6.328 0.276 8.137 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -3.697 1.698 9.011 1.00 0.00 C ATOM 0 H ILE A 85 -8.149 -1.460 9.724 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.562 -1.382 11.054 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.733 -0.807 9.032 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -5.577 1.949 10.024 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.422 0.960 10.896 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.702 0.796 7.411 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.733 -0.629 7.684 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.147 0.927 8.442 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.267 2.594 9.458 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.924 0.936 8.912 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.097 1.940 8.026 1.00 0.00 H new ATOM 1339 N LYS A 86 -8.228 0.525 11.160 1.00 0.00 N ATOM 1340 CA LYS A 86 -8.981 1.390 12.043 1.00 0.00 C ATOM 1341 C LYS A 86 -10.416 0.891 12.263 1.00 0.00 C ATOM 1342 O LYS A 86 -10.747 0.474 13.370 1.00 0.00 O ATOM 1343 CB LYS A 86 -8.854 2.835 11.531 1.00 0.00 C ATOM 1344 CG LYS A 86 -9.443 3.849 12.502 1.00 0.00 C ATOM 1345 CD LYS A 86 -8.905 5.270 12.245 1.00 0.00 C ATOM 1346 CE LYS A 86 -9.348 5.837 10.886 1.00 0.00 C ATOM 1347 NZ LYS A 86 -8.728 7.144 10.571 1.00 0.00 N ATOM 0 H LYS A 86 -8.728 0.277 10.306 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.563 1.369 13.050 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.802 3.066 11.362 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.358 2.922 10.569 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.529 3.850 12.411 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.209 3.551 13.524 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.248 5.933 13.039 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.816 5.255 12.290 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.095 5.123 10.102 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.433 5.946 10.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.210 7.569 9.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.816 7.777 11.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.722 7.006 10.346 1.00 0.00 H new ATOM 1361 N LYS A 87 -11.277 0.951 11.243 1.00 0.00 N ATOM 1362 CA LYS A 87 -12.663 0.510 11.307 1.00 0.00 C ATOM 1363 C LYS A 87 -13.274 0.499 9.902 1.00 0.00 C ATOM 1364 O LYS A 87 -13.850 -0.501 9.486 1.00 0.00 O ATOM 1365 CB LYS A 87 -13.491 1.416 12.242 1.00 0.00 C ATOM 1366 CG LYS A 87 -14.830 0.776 12.639 1.00 0.00 C ATOM 1367 CD LYS A 87 -14.625 -0.313 13.704 1.00 0.00 C ATOM 1368 CE LYS A 87 -15.973 -0.898 14.147 1.00 0.00 C ATOM 1369 NZ LYS A 87 -15.813 -1.891 15.230 1.00 0.00 N ATOM 0 H LYS A 87 -11.017 1.318 10.328 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.682 -0.501 11.714 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.913 1.631 13.141 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.679 2.369 11.748 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -15.504 1.542 13.022 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.306 0.344 11.759 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.993 -1.106 13.304 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -14.104 0.106 14.565 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -16.625 -0.093 14.486 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.463 -1.367 13.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -16.746 -2.263 15.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -15.212 -2.672 14.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.368 -1.438 16.054 1.00 0.00 H new ATOM 1383 N LYS A 88 -13.193 1.640 9.210 1.00 0.00 N ATOM 1384 CA LYS A 88 -13.758 1.834 7.878 1.00 0.00 C ATOM 1385 C LYS A 88 -13.160 3.076 7.231 1.00 0.00 C ATOM 1386 O LYS A 88 -12.665 3.005 6.114 1.00 0.00 O ATOM 1387 CB LYS A 88 -15.299 1.866 7.921 1.00 0.00 C ATOM 1388 CG LYS A 88 -15.896 2.930 8.857 1.00 0.00 C ATOM 1389 CD LYS A 88 -17.423 2.795 8.904 1.00 0.00 C ATOM 1390 CE LYS A 88 -18.036 3.902 9.779 1.00 0.00 C ATOM 1391 NZ LYS A 88 -19.481 4.079 9.523 1.00 0.00 N ATOM 0 H LYS A 88 -12.722 2.470 9.571 1.00 0.00 H new ATOM 0 HA LYS A 88 -13.492 0.981 7.253 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -15.673 2.039 6.912 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -15.660 0.886 8.231 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -15.482 2.817 9.859 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -15.622 3.926 8.509 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -17.830 2.854 7.895 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -17.695 1.817 9.301 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -17.882 3.659 10.830 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -17.517 4.842 9.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -19.852 4.834 10.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -19.628 4.337 8.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -19.981 3.191 9.728 1.00 0.00 H new ATOM 1405 N THR A 89 -13.151 4.205 7.943 1.00 0.00 N ATOM 1406 CA THR A 89 -12.624 5.469 7.471 1.00 0.00 C ATOM 1407 C THR A 89 -11.236 5.289 6.861 1.00 0.00 C ATOM 1408 O THR A 89 -10.971 5.875 5.820 1.00 0.00 O ATOM 1409 CB THR A 89 -12.613 6.449 8.647 1.00 0.00 C ATOM 1410 OG1 THR A 89 -13.798 6.264 9.401 1.00 0.00 O ATOM 1411 CG2 THR A 89 -12.473 7.906 8.196 1.00 0.00 C ATOM 0 H THR A 89 -13.523 4.257 8.891 1.00 0.00 H new ATOM 0 HA THR A 89 -13.255 5.869 6.678 1.00 0.00 H new ATOM 0 HB THR A 89 -11.739 6.239 9.263 1.00 0.00 H new ATOM 0 HG1 THR A 89 -13.803 6.885 10.159 1.00 0.00 H new ATOM 0 HG21 THR A 89 -12.471 8.559 9.069 1.00 0.00 H new ATOM 0 HG22 THR A 89 -11.539 8.029 7.648 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.310 8.169 7.549 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.384 4.460 7.482 1.00 0.00 N ATOM 1420 CA GLU A 90 -9.106 4.010 6.942 1.00 0.00 C ATOM 1421 C GLU A 90 -9.126 3.723 5.447 1.00 0.00 C ATOM 1422 O GLU A 90 -8.263 4.205 4.723 1.00 0.00 O ATOM 1423 CB GLU A 90 -8.674 2.728 7.639 1.00 0.00 C ATOM 1424 CG GLU A 90 -9.824 1.760 7.962 1.00 0.00 C ATOM 1425 CD GLU A 90 -9.441 0.301 7.795 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -9.266 -0.096 6.628 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -9.291 -0.360 8.850 1.00 0.00 O ATOM 0 H GLU A 90 -10.579 4.075 8.406 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.415 4.834 7.117 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.949 2.213 7.009 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.163 2.988 8.566 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -10.154 1.927 8.987 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -10.671 1.983 7.314 1.00 0.00 H new ATOM 1434 N ARG A 91 -10.090 2.925 4.997 1.00 0.00 N ATOM 1435 CA ARG A 91 -10.214 2.515 3.606 1.00 0.00 C ATOM 1436 C ARG A 91 -10.175 3.735 2.693 1.00 0.00 C ATOM 1437 O ARG A 91 -9.751 3.645 1.545 1.00 0.00 O ATOM 1438 CB ARG A 91 -11.487 1.673 3.406 1.00 0.00 C ATOM 1439 CG ARG A 91 -12.783 2.477 3.188 1.00 0.00 C ATOM 1440 CD ARG A 91 -13.017 2.796 1.707 1.00 0.00 C ATOM 1441 NE ARG A 91 -14.290 3.483 1.485 1.00 0.00 N ATOM 1442 CZ ARG A 91 -15.478 2.892 1.329 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -15.595 1.560 1.447 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -16.537 3.659 1.057 1.00 0.00 N ATOM 0 H ARG A 91 -10.817 2.540 5.600 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.368 1.883 3.338 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.338 1.017 2.548 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -11.619 1.032 4.278 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -13.630 1.911 3.576 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -12.733 3.406 3.756 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.201 3.417 1.337 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -13.000 1.871 1.130 1.00 0.00 H new ATOM 0 HE ARG A 91 -14.268 4.502 1.446 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -14.774 0.993 1.657 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -16.505 1.115 1.327 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -16.427 4.670 0.973 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -17.456 3.234 0.933 1.00 0.00 H new ATOM 1458 N GLU A 92 -10.656 4.869 3.210 1.00 0.00 N ATOM 1459 CA GLU A 92 -10.717 6.130 2.508 1.00 0.00 C ATOM 1460 C GLU A 92 -9.488 6.990 2.862 1.00 0.00 C ATOM 1461 O GLU A 92 -8.910 7.650 2.007 1.00 0.00 O ATOM 1462 CB GLU A 92 -12.059 6.755 2.926 1.00 0.00 C ATOM 1463 CG GLU A 92 -12.661 7.687 1.868 1.00 0.00 C ATOM 1464 CD GLU A 92 -13.322 6.887 0.747 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -14.274 6.134 1.068 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -12.857 7.035 -0.399 1.00 0.00 O ATOM 0 H GLU A 92 -11.023 4.924 4.160 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.681 6.030 1.423 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.770 5.957 3.141 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.917 7.314 3.851 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.396 8.344 2.333 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.880 8.325 1.453 1.00 0.00 H new ATOM 1473 N ASP A 93 -9.109 6.995 4.143 1.00 0.00 N ATOM 1474 CA ASP A 93 -8.047 7.784 4.765 1.00 0.00 C ATOM 1475 C ASP A 93 -6.687 7.434 4.162 1.00 0.00 C ATOM 1476 O ASP A 93 -6.001 8.277 3.596 1.00 0.00 O ATOM 1477 CB ASP A 93 -8.044 7.500 6.289 1.00 0.00 C ATOM 1478 CG ASP A 93 -8.172 8.706 7.202 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -7.996 9.842 6.719 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -8.487 8.449 8.389 1.00 0.00 O ATOM 0 H ASP A 93 -9.576 6.398 4.825 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.231 8.843 4.584 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.863 6.816 6.510 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.119 6.980 6.538 1.00 0.00 H new ATOM 1485 N LEU A 94 -6.286 6.171 4.281 1.00 0.00 N ATOM 1486 CA LEU A 94 -5.051 5.634 3.722 1.00 0.00 C ATOM 1487 C LEU A 94 -4.996 5.894 2.223 1.00 0.00 C ATOM 1488 O LEU A 94 -3.984 6.354 1.692 1.00 0.00 O ATOM 1489 CB LEU A 94 -4.988 4.123 3.992 1.00 0.00 C ATOM 1490 CG LEU A 94 -4.412 3.763 5.368 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -2.895 3.745 5.268 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -4.776 4.725 6.495 1.00 0.00 C ATOM 0 H LEU A 94 -6.830 5.471 4.786 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.200 6.126 4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.992 3.706 3.908 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.381 3.650 3.220 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.847 2.796 5.622 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.469 3.491 6.239 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.588 3.003 4.531 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.539 4.729 4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.322 4.384 7.425 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.407 5.722 6.255 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.859 4.757 6.611 1.00 0.00 H new ATOM 1504 N ILE A 95 -6.111 5.629 1.545 1.00 0.00 N ATOM 1505 CA ILE A 95 -6.212 5.777 0.105 1.00 0.00 C ATOM 1506 C ILE A 95 -6.251 7.267 -0.260 1.00 0.00 C ATOM 1507 O ILE A 95 -6.191 7.601 -1.442 1.00 0.00 O ATOM 1508 CB ILE A 95 -7.416 4.954 -0.405 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -7.140 3.439 -0.370 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -7.774 5.250 -1.873 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -6.712 2.809 0.959 1.00 0.00 C ATOM 0 H ILE A 95 -6.971 5.304 1.987 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.334 5.376 -0.402 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.226 5.243 0.265 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -8.043 2.929 -0.704 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.363 3.226 -1.104 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -8.627 4.640 -2.170 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.027 6.305 -1.980 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.921 5.015 -2.510 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.556 1.739 0.821 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.785 3.270 1.298 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.491 2.969 1.705 1.00 0.00 H new ATOM 1523 N ALA A 96 -6.294 8.182 0.721 1.00 0.00 N ATOM 1524 CA ALA A 96 -6.230 9.603 0.452 1.00 0.00 C ATOM 1525 C ALA A 96 -4.783 10.029 0.647 1.00 0.00 C ATOM 1526 O ALA A 96 -4.199 10.646 -0.243 1.00 0.00 O ATOM 1527 CB ALA A 96 -7.203 10.343 1.365 1.00 0.00 C ATOM 0 H ALA A 96 -6.374 7.947 1.710 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.531 9.845 -0.567 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.152 11.412 1.160 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.217 9.986 1.182 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.936 10.160 2.406 1.00 0.00 H new ATOM 1533 N TYR A 97 -4.175 9.627 1.771 1.00 0.00 N ATOM 1534 CA TYR A 97 -2.756 9.830 1.993 1.00 0.00 C ATOM 1535 C TYR A 97 -1.967 9.362 0.785 1.00 0.00 C ATOM 1536 O TYR A 97 -1.231 10.144 0.203 1.00 0.00 O ATOM 1537 CB TYR A 97 -2.227 9.107 3.236 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.700 9.133 3.350 1.00 0.00 C ATOM 1539 CD1 TYR A 97 0.012 10.283 2.955 1.00 0.00 C ATOM 1540 CD2 TYR A 97 0.027 7.973 3.683 1.00 0.00 C ATOM 1541 CE1 TYR A 97 1.413 10.319 3.011 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.436 7.997 3.682 1.00 0.00 C ATOM 1543 CZ TYR A 97 2.133 9.183 3.398 1.00 0.00 C ATOM 1544 OH TYR A 97 3.488 9.274 3.545 1.00 0.00 O ATOM 0 H TYR A 97 -4.656 9.158 2.539 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.625 10.900 2.154 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.658 9.566 4.126 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.565 8.071 3.216 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.529 11.149 2.604 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.496 7.064 3.939 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.938 11.227 2.754 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.986 7.094 3.902 1.00 0.00 H new ATOM 0 HH TYR A 97 3.915 8.496 3.130 1.00 0.00 H new ATOM 1554 N LEU A 98 -2.091 8.097 0.391 1.00 0.00 N ATOM 1555 CA LEU A 98 -1.229 7.592 -0.667 1.00 0.00 C ATOM 1556 C LEU A 98 -1.462 8.297 -1.997 1.00 0.00 C ATOM 1557 O LEU A 98 -0.574 8.297 -2.845 1.00 0.00 O ATOM 1558 CB LEU A 98 -1.308 6.073 -0.767 1.00 0.00 C ATOM 1559 CG LEU A 98 -0.850 5.418 0.541 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -0.959 3.902 0.382 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.588 5.773 0.944 1.00 0.00 C ATOM 0 H LEU A 98 -2.756 7.425 0.774 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.201 7.833 -0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.331 5.771 -0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.685 5.725 -1.591 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.496 5.798 1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.637 3.416 1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.994 3.632 0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.324 3.576 -0.442 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.838 5.272 1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.275 5.448 0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.673 6.852 1.077 1.00 0.00 H new ATOM 1573 N LYS A 99 -2.612 8.954 -2.155 1.00 0.00 N ATOM 1574 CA LYS A 99 -2.933 9.689 -3.369 1.00 0.00 C ATOM 1575 C LYS A 99 -2.090 10.962 -3.475 1.00 0.00 C ATOM 1576 O LYS A 99 -1.934 11.505 -4.566 1.00 0.00 O ATOM 1577 CB LYS A 99 -4.447 9.959 -3.405 1.00 0.00 C ATOM 1578 CG LYS A 99 -5.074 9.695 -4.784 1.00 0.00 C ATOM 1579 CD LYS A 99 -6.512 9.171 -4.651 1.00 0.00 C ATOM 1580 CE LYS A 99 -7.474 10.184 -4.014 1.00 0.00 C ATOM 1581 NZ LYS A 99 -8.787 9.562 -3.746 1.00 0.00 N ATOM 0 H LYS A 99 -3.342 8.989 -1.444 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.681 9.094 -4.247 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.940 9.331 -2.662 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.632 10.995 -3.121 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.072 10.615 -5.369 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.469 8.970 -5.328 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.884 8.899 -5.639 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.505 8.261 -4.051 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.049 10.562 -3.084 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.600 11.040 -4.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.542 10.166 -4.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.827 8.627 -4.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.917 9.455 -2.720 1.00 0.00 H new ATOM 1595 N LYS A 100 -1.529 11.418 -2.348 1.00 0.00 N ATOM 1596 CA LYS A 100 -0.557 12.496 -2.288 1.00 0.00 C ATOM 1597 C LYS A 100 0.835 11.975 -1.919 1.00 0.00 C ATOM 1598 O LYS A 100 1.808 12.664 -2.181 1.00 0.00 O ATOM 1599 CB LYS A 100 -1.018 13.619 -1.341 1.00 0.00 C ATOM 1600 CG LYS A 100 -1.122 13.193 0.134 1.00 0.00 C ATOM 1601 CD LYS A 100 -0.750 14.309 1.119 1.00 0.00 C ATOM 1602 CE LYS A 100 0.769 14.535 1.106 1.00 0.00 C ATOM 1603 NZ LYS A 100 1.247 15.378 2.220 1.00 0.00 N ATOM 0 H LYS A 100 -1.751 11.030 -1.431 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.484 12.928 -3.286 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -0.322 14.454 -1.419 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.990 13.983 -1.672 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.141 12.863 0.338 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.470 12.336 0.304 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.266 15.231 0.849 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.078 14.043 2.124 1.00 0.00 H new ATOM 0 HE2 LYS A 100 1.273 13.569 1.149 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.051 15.000 0.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.107 14.959 2.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.462 16.332 1.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.510 15.438 2.951 1.00 0.00 H new ATOM 1617 N ALA A 101 0.976 10.785 -1.325 1.00 0.00 N ATOM 1618 CA ALA A 101 2.282 10.254 -0.942 1.00 0.00 C ATOM 1619 C ALA A 101 3.113 9.964 -2.186 1.00 0.00 C ATOM 1620 O ALA A 101 4.334 10.101 -2.185 1.00 0.00 O ATOM 1621 CB ALA A 101 2.148 8.981 -0.111 1.00 0.00 C ATOM 0 H ALA A 101 0.194 10.170 -1.099 1.00 0.00 H new ATOM 0 HA ALA A 101 2.780 11.008 -0.333 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.139 8.615 0.156 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.585 9.197 0.797 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.624 8.221 -0.691 1.00 0.00 H new ATOM 1627 N THR A 102 2.438 9.565 -3.266 1.00 0.00 N ATOM 1628 CA THR A 102 3.068 9.388 -4.560 1.00 0.00 C ATOM 1629 C THR A 102 3.572 10.714 -5.137 1.00 0.00 C ATOM 1630 O THR A 102 4.303 10.697 -6.123 1.00 0.00 O ATOM 1631 CB THR A 102 2.061 8.702 -5.489 1.00 0.00 C ATOM 1632 OG1 THR A 102 0.803 9.346 -5.427 1.00 0.00 O ATOM 1633 CG2 THR A 102 1.847 7.258 -5.032 1.00 0.00 C ATOM 0 H THR A 102 1.439 9.357 -3.260 1.00 0.00 H new ATOM 0 HA THR A 102 3.953 8.761 -4.455 1.00 0.00 H new ATOM 0 HB THR A 102 2.458 8.746 -6.503 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.174 8.894 -6.028 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.131 6.770 -5.693 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.795 6.722 -5.065 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.462 7.252 -4.012 1.00 0.00 H new ATOM 1641 N ASN A 103 3.170 11.853 -4.557 1.00 0.00 N ATOM 1642 CA ASN A 103 3.609 13.175 -4.980 1.00 0.00 C ATOM 1643 C ASN A 103 3.588 14.137 -3.781 1.00 0.00 C ATOM 1644 O ASN A 103 2.803 15.089 -3.770 1.00 0.00 O ATOM 1645 CB ASN A 103 2.705 13.638 -6.133 1.00 0.00 C ATOM 1646 CG ASN A 103 3.170 14.947 -6.766 1.00 0.00 C ATOM 1647 OD1 ASN A 103 4.040 14.951 -7.630 1.00 0.00 O ATOM 1648 ND2 ASN A 103 2.566 16.065 -6.380 1.00 0.00 N ATOM 0 H ASN A 103 2.521 11.874 -3.770 1.00 0.00 H new ATOM 0 HA ASN A 103 4.636 13.153 -5.344 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.674 12.862 -6.898 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.687 13.761 -5.763 1.00 0.00 H new ATOM 0 HD21 ASN A 103 2.823 16.956 -6.805 1.00 0.00 H new ATOM 0 HD22 ASN A 103 1.845 16.033 -5.659 1.00 0.00 H new ATOM 1655 N GLU A 104 4.438 13.877 -2.776 1.00 0.00 N ATOM 1656 CA GLU A 104 4.794 14.822 -1.726 1.00 0.00 C ATOM 1657 C GLU A 104 6.318 14.887 -1.665 1.00 0.00 C ATOM 1658 O GLU A 104 6.827 15.847 -1.044 1.00 0.00 O ATOM 1659 CB GLU A 104 4.131 14.499 -0.368 1.00 0.00 C ATOM 1660 CG GLU A 104 4.671 13.313 0.465 1.00 0.00 C ATOM 1661 CD GLU A 104 4.134 13.282 1.897 1.00 0.00 C ATOM 1662 OE1 GLU A 104 3.595 14.304 2.375 1.00 0.00 O ATOM 1663 OE2 GLU A 104 4.251 12.220 2.548 1.00 0.00 O ATOM 1664 OXT GLU A 104 6.941 13.985 -2.272 1.00 0.00 O ATOM 0 H GLU A 104 4.906 12.976 -2.676 1.00 0.00 H new ATOM 0 HA GLU A 104 4.400 15.810 -1.966 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.196 15.393 0.252 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.073 14.316 -0.553 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.409 12.380 -0.033 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.759 13.365 0.494 1.00 0.00 H new