USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 820 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 102 THR OG1 : rot -108:sc= 0.609 USER MOD Set 1.2: A 103 ASN : amide:sc= -6.05! K(o=-5.4!,f=-1.9) USER MOD Set 2.1: A 31 ASN : amide:sc= -3.8 K(o=-12,f=-24!) USER MOD Set 2.2: A 33 HIS : no HD1:sc= -7.91! C(o=-12!,f=-19!) USER MOD Single : A 5 LYS NZ :NH3+ -149:sc= 0.171 (180deg=0.00269) USER MOD Single : A 7 LYS NZ :NH3+ -138:sc= -0.0448 (180deg=-1.25) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -2.07! C(o=-2.1!,f=-2.5!) USER MOD Single : A 13 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.797) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.0617 USER MOD Single : A 16 GLN : amide:sc= 1.27 K(o=1.3,f=-1.1) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.0107 USER MOD Single : A 18 HIS : no HD1:sc= -2.85 K(o=-2.9,f=-1.9) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0246 USER MOD Single : A 22 LYS NZ :NH3+ -142:sc= 0.0529 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HE2:sc= 0.561 K(o=0.56,f=-5.1!) USER MOD Single : A 27 LYS NZ :NH3+ 160:sc= -0.0102 (180deg=-0.251) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 130:sc= -0.877 USER MOD Single : A 42 GLN : amide:sc= -2.93! K(o=-2.9!,f=0.31) USER MOD Single : A 47 THR OG1 : rot 28:sc= 0.212 USER MOD Single : A 48 TYR OH : rot 180:sc= -1.42 USER MOD Single : A 49 THR OG1 : rot 81:sc= -0.443 USER MOD Single : A 52 ASN : amide:sc= -0.799 K(o=-0.8,f=-6.6!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -11! C(o=-11!,f=-4.9!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 80:sc= -2.77! USER MOD Single : A 65 MET CE :methyl 179:sc= 0 (180deg=-0.00334) USER MOD Single : A 67 TYR OH : rot -148:sc= 1.4 USER MOD Single : A 70 ASN : amide:sc= -9.1! C(o=-9.1!,f=-14!) USER MOD Single : A 72 LYS NZ :NH3+ -159:sc= -3.05! (180deg=-4.39!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -157:sc= -0.139 (180deg=-0.895) USER MOD Single : A 80 MET CE :methyl 141:sc= -0.127 (180deg=-1.48) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.1) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 142:sc= -0.257 (180deg=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 10 N ASP A 2 74.432 8.206 -8.791 1.00 0.00 N ATOM 11 CA ASP A 2 73.948 7.485 -9.967 1.00 0.00 C ATOM 12 C ASP A 2 74.312 6.011 -9.876 1.00 0.00 C ATOM 13 O ASP A 2 75.343 5.582 -10.390 1.00 0.00 O ATOM 14 CB ASP A 2 74.559 8.083 -11.234 1.00 0.00 C ATOM 15 CG ASP A 2 74.194 9.559 -11.343 1.00 0.00 C ATOM 16 OD1 ASP A 2 74.487 10.292 -10.412 1.00 0.00 O ATOM 17 OD2 ASP A 2 73.627 9.937 -12.356 1.00 0.00 O1- ATOM 0 HA ASP A 2 72.863 7.580 -10.007 1.00 0.00 H new ATOM 0 HB2 ASP A 2 75.643 7.969 -11.214 1.00 0.00 H new ATOM 0 HB3 ASP A 2 74.198 7.545 -12.111 1.00 0.00 H new ATOM 22 N VAL A 3 73.450 5.243 -9.223 1.00 0.00 N ATOM 23 CA VAL A 3 73.678 3.813 -9.070 1.00 0.00 C ATOM 24 C VAL A 3 74.091 3.195 -10.401 1.00 0.00 C ATOM 25 O VAL A 3 74.666 2.107 -10.441 1.00 0.00 O ATOM 26 CB VAL A 3 72.400 3.142 -8.564 1.00 0.00 C ATOM 27 CG1 VAL A 3 71.267 3.385 -9.564 1.00 0.00 C ATOM 28 CG2 VAL A 3 72.633 1.638 -8.414 1.00 0.00 C ATOM 0 H VAL A 3 72.591 5.584 -8.793 1.00 0.00 H new ATOM 0 HA VAL A 3 74.481 3.659 -8.349 1.00 0.00 H new ATOM 0 HB VAL A 3 72.129 3.564 -7.596 1.00 0.00 H new ATOM 0 HG11 VAL A 3 70.356 2.907 -9.204 1.00 0.00 H new ATOM 0 HG12 VAL A 3 71.098 4.457 -9.669 1.00 0.00 H new ATOM 0 HG13 VAL A 3 71.540 2.964 -10.532 1.00 0.00 H new ATOM 0 HG21 VAL A 3 71.721 1.163 -8.053 1.00 0.00 H new ATOM 0 HG22 VAL A 3 72.906 1.214 -9.380 1.00 0.00 H new ATOM 0 HG23 VAL A 3 73.439 1.464 -7.701 1.00 0.00 H new ATOM 38 N GLU A 4 73.795 3.897 -11.493 1.00 0.00 N ATOM 39 CA GLU A 4 74.141 3.397 -12.820 1.00 0.00 C ATOM 40 C GLU A 4 75.642 3.505 -13.063 1.00 0.00 C ATOM 41 O GLU A 4 76.315 2.503 -13.314 1.00 0.00 O ATOM 42 CB GLU A 4 73.388 4.191 -13.890 1.00 0.00 C ATOM 43 CG GLU A 4 71.882 4.023 -13.685 1.00 0.00 C ATOM 44 CD GLU A 4 71.450 2.625 -14.115 1.00 0.00 C ATOM 45 OE1 GLU A 4 71.473 2.361 -15.306 1.00 0.00 O ATOM 46 OE2 GLU A 4 71.104 1.840 -13.248 1.00 0.00 O1- ATOM 0 H GLU A 4 73.323 4.801 -11.486 1.00 0.00 H new ATOM 0 HA GLU A 4 73.853 2.347 -12.877 1.00 0.00 H new ATOM 0 HB2 GLU A 4 73.658 5.245 -13.833 1.00 0.00 H new ATOM 0 HB3 GLU A 4 73.672 3.843 -14.883 1.00 0.00 H new ATOM 0 HG2 GLU A 4 71.629 4.185 -12.637 1.00 0.00 H new ATOM 0 HG3 GLU A 4 71.342 4.773 -14.263 1.00 0.00 H new ATOM 53 N LYS A 5 76.168 4.722 -12.979 1.00 0.00 N ATOM 54 CA LYS A 5 77.595 4.933 -13.184 1.00 0.00 C ATOM 55 C LYS A 5 78.373 4.398 -11.993 1.00 0.00 C ATOM 56 O LYS A 5 79.570 4.129 -12.090 1.00 0.00 O ATOM 57 CB LYS A 5 77.889 6.425 -13.374 1.00 0.00 C ATOM 58 CG LYS A 5 77.573 6.833 -14.817 1.00 0.00 C ATOM 59 CD LYS A 5 77.489 8.362 -14.918 1.00 0.00 C ATOM 60 CE LYS A 5 76.061 8.825 -14.617 1.00 0.00 C ATOM 61 NZ LYS A 5 76.068 10.282 -14.301 1.00 0.00 N1+ ATOM 0 H LYS A 5 75.635 5.567 -12.773 1.00 0.00 H new ATOM 0 HA LYS A 5 77.904 4.398 -14.082 1.00 0.00 H new ATOM 0 HB2 LYS A 5 77.291 7.015 -12.680 1.00 0.00 H new ATOM 0 HB3 LYS A 5 78.935 6.631 -13.148 1.00 0.00 H new ATOM 0 HG2 LYS A 5 78.345 6.457 -15.488 1.00 0.00 H new ATOM 0 HG3 LYS A 5 76.630 6.386 -15.133 1.00 0.00 H new ATOM 0 HD2 LYS A 5 78.185 8.821 -14.216 1.00 0.00 H new ATOM 0 HD3 LYS A 5 77.783 8.686 -15.916 1.00 0.00 H new ATOM 0 HE2 LYS A 5 75.416 8.631 -15.474 1.00 0.00 H new ATOM 0 HE3 LYS A 5 75.654 8.262 -13.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 75.306 10.495 -13.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 76.984 10.542 -13.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 75.919 10.827 -15.174 1.00 0.00 H new ATOM 75 N GLY A 6 77.679 4.224 -10.877 1.00 0.00 N ATOM 76 CA GLY A 6 78.314 3.694 -9.682 1.00 0.00 C ATOM 77 C GLY A 6 78.627 2.222 -9.892 1.00 0.00 C ATOM 78 O GLY A 6 79.652 1.715 -9.436 1.00 0.00 O ATOM 0 H GLY A 6 76.687 4.440 -10.775 1.00 0.00 H new ATOM 0 HA2 GLY A 6 79.229 4.245 -9.467 1.00 0.00 H new ATOM 0 HA3 GLY A 6 77.657 3.819 -8.821 1.00 0.00 H new ATOM 82 N LYS A 7 77.733 1.549 -10.608 1.00 0.00 N ATOM 83 CA LYS A 7 77.912 0.139 -10.906 1.00 0.00 C ATOM 84 C LYS A 7 79.065 -0.042 -11.885 1.00 0.00 C ATOM 85 O LYS A 7 79.883 -0.946 -11.733 1.00 0.00 O ATOM 86 CB LYS A 7 76.626 -0.432 -11.513 1.00 0.00 C ATOM 87 CG LYS A 7 76.736 -1.958 -11.625 1.00 0.00 C ATOM 88 CD LYS A 7 75.733 -2.477 -12.665 1.00 0.00 C ATOM 89 CE LYS A 7 76.357 -2.420 -14.064 1.00 0.00 C ATOM 90 NZ LYS A 7 77.205 -3.626 -14.279 1.00 0.00 N1+ ATOM 0 H LYS A 7 76.881 1.958 -10.990 1.00 0.00 H new ATOM 0 HA LYS A 7 78.140 -0.392 -9.982 1.00 0.00 H new ATOM 0 HB2 LYS A 7 75.771 -0.165 -10.893 1.00 0.00 H new ATOM 0 HB3 LYS A 7 76.454 0.002 -12.498 1.00 0.00 H new ATOM 0 HG2 LYS A 7 77.749 -2.239 -11.912 1.00 0.00 H new ATOM 0 HG3 LYS A 7 76.540 -2.418 -10.656 1.00 0.00 H new ATOM 0 HD2 LYS A 7 75.446 -3.501 -12.427 1.00 0.00 H new ATOM 0 HD3 LYS A 7 74.824 -1.876 -12.638 1.00 0.00 H new ATOM 0 HE2 LYS A 7 75.574 -2.373 -14.821 1.00 0.00 H new ATOM 0 HE3 LYS A 7 76.958 -1.516 -14.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 78.088 -3.349 -14.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 77.427 -4.063 -13.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 76.693 -4.309 -14.873 1.00 0.00 H new ATOM 104 N LYS A 8 79.127 0.828 -12.892 1.00 0.00 N ATOM 105 CA LYS A 8 80.190 0.744 -13.886 1.00 0.00 C ATOM 106 C LYS A 8 81.560 0.879 -13.226 1.00 0.00 C ATOM 107 O LYS A 8 82.468 0.082 -13.476 1.00 0.00 O ATOM 108 CB LYS A 8 80.015 1.847 -14.936 1.00 0.00 C ATOM 109 CG LYS A 8 81.181 1.801 -15.940 1.00 0.00 C ATOM 110 CD LYS A 8 82.221 2.876 -15.593 1.00 0.00 C ATOM 111 CE LYS A 8 81.797 4.217 -16.199 1.00 0.00 C ATOM 112 NZ LYS A 8 82.802 5.260 -15.846 1.00 0.00 N1+ ATOM 0 H LYS A 8 78.463 1.588 -13.039 1.00 0.00 H new ATOM 0 HA LYS A 8 80.129 -0.231 -14.369 1.00 0.00 H new ATOM 0 HB2 LYS A 8 79.067 1.717 -15.459 1.00 0.00 H new ATOM 0 HB3 LYS A 8 79.980 2.822 -14.450 1.00 0.00 H new ATOM 0 HG2 LYS A 8 81.646 0.815 -15.923 1.00 0.00 H new ATOM 0 HG3 LYS A 8 80.806 1.960 -16.951 1.00 0.00 H new ATOM 0 HD2 LYS A 8 82.316 2.968 -14.511 1.00 0.00 H new ATOM 0 HD3 LYS A 8 83.200 2.586 -15.975 1.00 0.00 H new ATOM 0 HE2 LYS A 8 81.713 4.129 -17.282 1.00 0.00 H new ATOM 0 HE3 LYS A 8 80.814 4.503 -15.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 82.515 6.171 -16.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 82.861 5.350 -14.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 83.732 4.988 -16.223 1.00 0.00 H new ATOM 126 N ILE A 9 81.705 1.896 -12.383 1.00 0.00 N ATOM 127 CA ILE A 9 82.968 2.128 -11.701 1.00 0.00 C ATOM 128 C ILE A 9 83.277 0.993 -10.735 1.00 0.00 C ATOM 129 O ILE A 9 84.432 0.753 -10.401 1.00 0.00 O ATOM 130 CB ILE A 9 82.911 3.447 -10.930 1.00 0.00 C ATOM 131 CG1 ILE A 9 82.627 4.595 -11.904 1.00 0.00 C ATOM 132 CG2 ILE A 9 84.252 3.690 -10.235 1.00 0.00 C ATOM 133 CD1 ILE A 9 82.179 5.829 -11.120 1.00 0.00 C ATOM 0 H ILE A 9 80.969 2.566 -12.159 1.00 0.00 H new ATOM 0 HA ILE A 9 83.756 2.176 -12.452 1.00 0.00 H new ATOM 0 HB ILE A 9 82.118 3.398 -10.184 1.00 0.00 H new ATOM 0 HG12 ILE A 9 83.521 4.824 -12.484 1.00 0.00 H new ATOM 0 HG13 ILE A 9 81.854 4.301 -12.614 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.212 4.630 -9.685 1.00 0.00 H new ATOM 0 HG22 ILE A 9 84.456 2.873 -9.543 1.00 0.00 H new ATOM 0 HG23 ILE A 9 85.045 3.740 -10.981 1.00 0.00 H new ATOM 0 HD11 ILE A 9 81.977 6.646 -11.812 1.00 0.00 H new ATOM 0 HD12 ILE A 9 81.274 5.595 -10.560 1.00 0.00 H new ATOM 0 HD13 ILE A 9 82.967 6.126 -10.428 1.00 0.00 H new ATOM 145 N PHE A 10 82.240 0.309 -10.275 1.00 0.00 N ATOM 146 CA PHE A 10 82.429 -0.784 -9.327 1.00 0.00 C ATOM 147 C PHE A 10 82.932 -2.054 -10.014 1.00 0.00 C ATOM 148 O PHE A 10 83.925 -2.644 -9.587 1.00 0.00 O ATOM 149 CB PHE A 10 81.106 -1.086 -8.612 1.00 0.00 C ATOM 150 CG PHE A 10 81.140 -2.499 -8.082 1.00 0.00 C ATOM 151 CD1 PHE A 10 81.693 -2.761 -6.826 1.00 0.00 C ATOM 152 CD2 PHE A 10 80.634 -3.549 -8.857 1.00 0.00 C ATOM 153 CE1 PHE A 10 81.741 -4.073 -6.342 1.00 0.00 C ATOM 154 CE2 PHE A 10 80.682 -4.861 -8.376 1.00 0.00 C ATOM 155 CZ PHE A 10 81.236 -5.125 -7.118 1.00 0.00 C ATOM 0 H PHE A 10 81.270 0.486 -10.537 1.00 0.00 H new ATOM 0 HA PHE A 10 83.183 -0.467 -8.607 1.00 0.00 H new ATOM 0 HB2 PHE A 10 80.952 -0.382 -7.794 1.00 0.00 H new ATOM 0 HB3 PHE A 10 80.270 -0.963 -9.301 1.00 0.00 H new ATOM 0 HD1 PHE A 10 82.084 -1.951 -6.228 1.00 0.00 H new ATOM 0 HD2 PHE A 10 80.206 -3.346 -9.828 1.00 0.00 H new ATOM 0 HE1 PHE A 10 82.167 -4.275 -5.370 1.00 0.00 H new ATOM 0 HE2 PHE A 10 80.292 -5.671 -8.975 1.00 0.00 H new ATOM 0 HZ PHE A 10 81.274 -6.138 -6.746 1.00 0.00 H new ATOM 165 N VAL A 11 82.232 -2.480 -11.060 1.00 0.00 N ATOM 166 CA VAL A 11 82.605 -3.699 -11.774 1.00 0.00 C ATOM 167 C VAL A 11 84.037 -3.632 -12.276 1.00 0.00 C ATOM 168 O VAL A 11 84.699 -4.658 -12.431 1.00 0.00 O ATOM 169 CB VAL A 11 81.670 -3.927 -12.961 1.00 0.00 C ATOM 170 CG1 VAL A 11 80.245 -4.132 -12.454 1.00 0.00 C ATOM 171 CG2 VAL A 11 81.708 -2.710 -13.885 1.00 0.00 C ATOM 0 H VAL A 11 81.409 -2.005 -11.431 1.00 0.00 H new ATOM 0 HA VAL A 11 82.519 -4.528 -11.071 1.00 0.00 H new ATOM 0 HB VAL A 11 81.994 -4.811 -13.511 1.00 0.00 H new ATOM 0 HG11 VAL A 11 79.578 -4.295 -13.300 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.214 -5.000 -11.796 1.00 0.00 H new ATOM 0 HG13 VAL A 11 79.924 -3.248 -11.903 1.00 0.00 H new ATOM 0 HG21 VAL A 11 81.041 -2.874 -14.731 1.00 0.00 H new ATOM 0 HG22 VAL A 11 81.386 -1.826 -13.335 1.00 0.00 H new ATOM 0 HG23 VAL A 11 82.725 -2.561 -14.249 1.00 0.00 H new ATOM 181 N GLN A 12 84.503 -2.427 -12.562 1.00 0.00 N ATOM 182 CA GLN A 12 85.856 -2.259 -13.083 1.00 0.00 C ATOM 183 C GLN A 12 86.873 -1.936 -11.986 1.00 0.00 C ATOM 184 O GLN A 12 88.064 -2.199 -12.153 1.00 0.00 O ATOM 185 CB GLN A 12 85.870 -1.150 -14.131 1.00 0.00 C ATOM 186 CG GLN A 12 85.608 0.200 -13.462 1.00 0.00 C ATOM 187 CD GLN A 12 85.455 1.274 -14.532 1.00 0.00 C ATOM 188 OE1 GLN A 12 85.200 2.436 -14.218 1.00 0.00 O ATOM 189 NE2 GLN A 12 85.601 0.950 -15.787 1.00 0.00 N ATOM 0 H GLN A 12 83.976 -1.561 -12.446 1.00 0.00 H new ATOM 0 HA GLN A 12 86.149 -3.209 -13.530 1.00 0.00 H new ATOM 0 HB2 GLN A 12 86.833 -1.132 -14.642 1.00 0.00 H new ATOM 0 HB3 GLN A 12 85.111 -1.344 -14.889 1.00 0.00 H new ATOM 0 HG2 GLN A 12 84.706 0.147 -12.853 1.00 0.00 H new ATOM 0 HG3 GLN A 12 86.431 0.452 -12.793 1.00 0.00 H new ATOM 0 HE21 GLN A 12 85.812 -0.014 -16.043 1.00 0.00 H new ATOM 0 HE22 GLN A 12 85.504 1.661 -16.512 1.00 0.00 H new ATOM 198 N LYS A 13 86.425 -1.334 -10.882 1.00 0.00 N ATOM 199 CA LYS A 13 87.359 -0.960 -9.812 1.00 0.00 C ATOM 200 C LYS A 13 87.359 -1.922 -8.619 1.00 0.00 C ATOM 201 O LYS A 13 88.388 -2.514 -8.304 1.00 0.00 O ATOM 202 CB LYS A 13 87.047 0.455 -9.308 1.00 0.00 C ATOM 203 CG LYS A 13 87.328 1.484 -10.419 1.00 0.00 C ATOM 204 CD LYS A 13 87.968 2.738 -9.817 1.00 0.00 C ATOM 205 CE LYS A 13 88.358 3.698 -10.943 1.00 0.00 C ATOM 206 NZ LYS A 13 88.996 4.913 -10.363 1.00 0.00 N1+ ATOM 0 H LYS A 13 85.448 -1.099 -10.705 1.00 0.00 H new ATOM 0 HA LYS A 13 88.352 -1.007 -10.260 1.00 0.00 H new ATOM 0 HB2 LYS A 13 86.004 0.518 -8.998 1.00 0.00 H new ATOM 0 HB3 LYS A 13 87.654 0.680 -8.431 1.00 0.00 H new ATOM 0 HG2 LYS A 13 87.990 1.051 -11.169 1.00 0.00 H new ATOM 0 HG3 LYS A 13 86.400 1.747 -10.927 1.00 0.00 H new ATOM 0 HD2 LYS A 13 87.271 3.224 -9.135 1.00 0.00 H new ATOM 0 HD3 LYS A 13 88.848 2.467 -9.234 1.00 0.00 H new ATOM 0 HE2 LYS A 13 89.046 3.207 -11.632 1.00 0.00 H new ATOM 0 HE3 LYS A 13 87.476 3.977 -11.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 88.695 5.752 -10.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 88.708 5.015 -9.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 90.031 4.821 -10.416 1.00 0.00 H new ATOM 220 N CYS A 14 86.234 -2.021 -7.914 1.00 0.00 N ATOM 221 CA CYS A 14 86.172 -2.856 -6.707 1.00 0.00 C ATOM 222 C CYS A 14 85.898 -4.334 -6.982 1.00 0.00 C ATOM 223 O CYS A 14 86.416 -5.195 -6.274 1.00 0.00 O ATOM 224 CB CYS A 14 85.105 -2.300 -5.761 1.00 0.00 C ATOM 225 SG CYS A 14 84.993 -0.499 -5.959 1.00 0.00 S ATOM 0 H CYS A 14 85.364 -1.544 -8.149 1.00 0.00 H new ATOM 0 HA CYS A 14 87.162 -2.814 -6.252 1.00 0.00 H new ATOM 0 HB2 CYS A 14 84.140 -2.760 -5.975 1.00 0.00 H new ATOM 0 HB3 CYS A 14 85.355 -2.548 -4.729 1.00 0.00 H new ATOM 0 HG CYS A 14 84.085 -0.030 -5.156 1.00 0.00 H new ATOM 230 N ALA A 15 85.089 -4.641 -7.981 1.00 0.00 N ATOM 231 CA ALA A 15 84.783 -6.038 -8.268 1.00 0.00 C ATOM 232 C ALA A 15 86.064 -6.868 -8.298 1.00 0.00 C ATOM 233 O ALA A 15 86.045 -8.067 -8.021 1.00 0.00 O ATOM 234 CB ALA A 15 84.062 -6.156 -9.610 1.00 0.00 C ATOM 0 H ALA A 15 84.640 -3.963 -8.596 1.00 0.00 H new ATOM 0 HA ALA A 15 84.134 -6.417 -7.479 1.00 0.00 H new ATOM 0 HB1 ALA A 15 83.839 -7.204 -9.812 1.00 0.00 H new ATOM 0 HB2 ALA A 15 83.133 -5.588 -9.575 1.00 0.00 H new ATOM 0 HB3 ALA A 15 84.699 -5.761 -10.401 1.00 0.00 H new ATOM 240 N GLN A 16 87.175 -6.219 -8.627 1.00 0.00 N ATOM 241 CA GLN A 16 88.459 -6.906 -8.689 1.00 0.00 C ATOM 242 C GLN A 16 88.701 -7.739 -7.431 1.00 0.00 C ATOM 243 O GLN A 16 88.862 -8.957 -7.511 1.00 0.00 O ATOM 244 CB GLN A 16 89.588 -5.887 -8.850 1.00 0.00 C ATOM 245 CG GLN A 16 89.565 -5.318 -10.269 1.00 0.00 C ATOM 246 CD GLN A 16 90.519 -4.132 -10.371 1.00 0.00 C ATOM 247 OE1 GLN A 16 91.557 -4.113 -9.711 1.00 0.00 O ATOM 248 NE2 GLN A 16 90.226 -3.137 -11.162 1.00 0.00 N ATOM 0 H GLN A 16 87.213 -5.225 -8.853 1.00 0.00 H new ATOM 0 HA GLN A 16 88.441 -7.576 -9.549 1.00 0.00 H new ATOM 0 HB2 GLN A 16 89.473 -5.083 -8.123 1.00 0.00 H new ATOM 0 HB3 GLN A 16 90.550 -6.360 -8.652 1.00 0.00 H new ATOM 0 HG2 GLN A 16 89.853 -6.089 -10.984 1.00 0.00 H new ATOM 0 HG3 GLN A 16 88.554 -5.005 -10.528 1.00 0.00 H new ATOM 0 HE21 GLN A 16 89.365 -3.156 -11.708 1.00 0.00 H new ATOM 0 HE22 GLN A 16 90.858 -2.340 -11.235 1.00 0.00 H new ATOM 257 N CYS A 17 88.739 -7.079 -6.270 1.00 0.00 N ATOM 258 CA CYS A 17 88.978 -7.785 -5.009 1.00 0.00 C ATOM 259 C CYS A 17 87.859 -7.518 -3.992 1.00 0.00 C ATOM 260 O CYS A 17 88.130 -7.188 -2.837 1.00 0.00 O ATOM 261 CB CYS A 17 90.333 -7.353 -4.416 1.00 0.00 C ATOM 262 SG CYS A 17 91.387 -6.656 -5.719 1.00 0.00 S ATOM 0 H CYS A 17 88.609 -6.072 -6.177 1.00 0.00 H new ATOM 0 HA CYS A 17 88.992 -8.854 -5.222 1.00 0.00 H new ATOM 0 HB2 CYS A 17 90.176 -6.615 -3.630 1.00 0.00 H new ATOM 0 HB3 CYS A 17 90.827 -8.209 -3.956 1.00 0.00 H new ATOM 0 HG CYS A 17 92.526 -6.293 -5.208 1.00 0.00 H new ATOM 267 N HIS A 18 86.606 -7.680 -4.416 1.00 0.00 N ATOM 268 CA HIS A 18 85.474 -7.465 -3.510 1.00 0.00 C ATOM 269 C HIS A 18 84.235 -8.212 -3.997 1.00 0.00 C ATOM 270 O HIS A 18 84.287 -8.949 -4.981 1.00 0.00 O ATOM 271 CB HIS A 18 85.150 -5.971 -3.392 1.00 0.00 C ATOM 272 CG HIS A 18 86.105 -5.313 -2.433 1.00 0.00 C ATOM 273 ND1 HIS A 18 85.890 -5.288 -1.063 1.00 0.00 N ATOM 274 CD2 HIS A 18 87.272 -4.630 -2.638 1.00 0.00 C ATOM 275 CE1 HIS A 18 86.909 -4.607 -0.505 1.00 0.00 C ATOM 276 NE2 HIS A 18 87.782 -4.180 -1.422 1.00 0.00 N ATOM 0 H HIS A 18 86.349 -7.955 -5.364 1.00 0.00 H new ATOM 0 HA HIS A 18 85.759 -7.850 -2.531 1.00 0.00 H new ATOM 0 HB2 HIS A 18 85.220 -5.497 -4.371 1.00 0.00 H new ATOM 0 HB3 HIS A 18 84.125 -5.839 -3.046 1.00 0.00 H new ATOM 0 HD2 HIS A 18 87.731 -4.464 -3.601 1.00 0.00 H new ATOM 0 HE1 HIS A 18 87.009 -4.428 0.555 1.00 0.00 H new ATOM 0 HE2 HIS A 18 88.635 -3.643 -1.266 1.00 0.00 H new ATOM 284 N THR A 19 83.121 -8.014 -3.292 1.00 0.00 N ATOM 285 CA THR A 19 81.866 -8.670 -3.644 1.00 0.00 C ATOM 286 C THR A 19 80.684 -7.727 -3.410 1.00 0.00 C ATOM 287 O THR A 19 79.733 -7.698 -4.192 1.00 0.00 O ATOM 288 CB THR A 19 81.702 -9.934 -2.790 1.00 0.00 C ATOM 289 OG1 THR A 19 82.972 -10.328 -2.292 1.00 0.00 O ATOM 290 CG2 THR A 19 81.118 -11.067 -3.634 1.00 0.00 C ATOM 0 H THR A 19 83.064 -7.405 -2.476 1.00 0.00 H new ATOM 0 HA THR A 19 81.887 -8.939 -4.700 1.00 0.00 H new ATOM 0 HB THR A 19 81.026 -9.721 -1.962 1.00 0.00 H new ATOM 0 HG1 THR A 19 82.873 -11.135 -1.744 1.00 0.00 H new ATOM 0 HG21 THR A 19 81.006 -11.959 -3.018 1.00 0.00 H new ATOM 0 HG22 THR A 19 80.144 -10.768 -4.020 1.00 0.00 H new ATOM 0 HG23 THR A 19 81.788 -11.283 -4.467 1.00 0.00 H new ATOM 298 N VAL A 20 80.760 -6.959 -2.328 1.00 0.00 N ATOM 299 CA VAL A 20 79.707 -6.006 -1.975 1.00 0.00 C ATOM 300 C VAL A 20 78.315 -6.594 -2.188 1.00 0.00 C ATOM 301 O VAL A 20 77.377 -5.871 -2.521 1.00 0.00 O ATOM 302 CB VAL A 20 79.854 -4.718 -2.794 1.00 0.00 C ATOM 303 CG1 VAL A 20 81.265 -4.153 -2.619 1.00 0.00 C ATOM 304 CG2 VAL A 20 79.607 -5.008 -4.274 1.00 0.00 C ATOM 0 H VAL A 20 81.544 -6.977 -1.675 1.00 0.00 H new ATOM 0 HA VAL A 20 79.819 -5.778 -0.915 1.00 0.00 H new ATOM 0 HB VAL A 20 79.122 -3.991 -2.442 1.00 0.00 H new ATOM 0 HG11 VAL A 20 81.365 -3.238 -3.203 1.00 0.00 H new ATOM 0 HG12 VAL A 20 81.441 -3.933 -1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 20 81.995 -4.885 -2.964 1.00 0.00 H new ATOM 0 HG21 VAL A 20 79.714 -4.087 -4.848 1.00 0.00 H new ATOM 0 HG22 VAL A 20 80.332 -5.742 -4.627 1.00 0.00 H new ATOM 0 HG23 VAL A 20 78.599 -5.402 -4.404 1.00 0.00 H new ATOM 314 N GLU A 21 78.176 -7.902 -1.982 1.00 0.00 N ATOM 315 CA GLU A 21 76.878 -8.554 -2.148 1.00 0.00 C ATOM 316 C GLU A 21 76.570 -9.446 -0.947 1.00 0.00 C ATOM 317 O GLU A 21 77.280 -10.414 -0.677 1.00 0.00 O ATOM 318 CB GLU A 21 76.858 -9.380 -3.442 1.00 0.00 C ATOM 319 CG GLU A 21 77.619 -10.693 -3.245 1.00 0.00 C ATOM 320 CD GLU A 21 77.996 -11.283 -4.600 1.00 0.00 C ATOM 321 OE1 GLU A 21 77.602 -10.713 -5.603 1.00 0.00 O ATOM 322 OE2 GLU A 21 78.674 -12.298 -4.614 1.00 0.00 O1- ATOM 0 H GLU A 21 78.935 -8.525 -1.704 1.00 0.00 H new ATOM 0 HA GLU A 21 76.110 -7.783 -2.213 1.00 0.00 H new ATOM 0 HB2 GLU A 21 75.828 -9.588 -3.733 1.00 0.00 H new ATOM 0 HB3 GLU A 21 77.309 -8.809 -4.253 1.00 0.00 H new ATOM 0 HG2 GLU A 21 78.517 -10.518 -2.652 1.00 0.00 H new ATOM 0 HG3 GLU A 21 77.003 -11.400 -2.689 1.00 0.00 H new ATOM 329 N LYS A 22 75.507 -9.103 -0.227 1.00 0.00 N ATOM 330 CA LYS A 22 75.111 -9.870 0.949 1.00 0.00 C ATOM 331 C LYS A 22 75.094 -11.363 0.641 1.00 0.00 C ATOM 332 O LYS A 22 74.829 -11.771 -0.490 1.00 0.00 O ATOM 333 CB LYS A 22 73.722 -9.428 1.418 1.00 0.00 C ATOM 334 CG LYS A 22 73.753 -7.944 1.811 1.00 0.00 C ATOM 335 CD LYS A 22 72.779 -7.695 2.966 1.00 0.00 C ATOM 336 CE LYS A 22 71.371 -8.136 2.557 1.00 0.00 C ATOM 337 NZ LYS A 22 70.368 -7.481 3.444 1.00 0.00 N1+ ATOM 0 H LYS A 22 74.908 -8.304 -0.435 1.00 0.00 H new ATOM 0 HA LYS A 22 75.839 -9.684 1.739 1.00 0.00 H new ATOM 0 HB2 LYS A 22 72.992 -9.588 0.624 1.00 0.00 H new ATOM 0 HB3 LYS A 22 73.406 -10.032 2.268 1.00 0.00 H new ATOM 0 HG2 LYS A 22 74.762 -7.657 2.106 1.00 0.00 H new ATOM 0 HG3 LYS A 22 73.483 -7.326 0.955 1.00 0.00 H new ATOM 0 HD2 LYS A 22 73.100 -8.245 3.851 1.00 0.00 H new ATOM 0 HD3 LYS A 22 72.777 -6.638 3.231 1.00 0.00 H new ATOM 0 HE2 LYS A 22 71.182 -7.869 1.517 1.00 0.00 H new ATOM 0 HE3 LYS A 22 71.283 -9.220 2.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 69.599 -8.150 3.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 70.826 -7.193 4.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 69.978 -6.643 2.968 1.00 0.00 H new ATOM 351 N GLY A 23 75.380 -12.173 1.655 1.00 0.00 N ATOM 352 CA GLY A 23 75.396 -13.621 1.486 1.00 0.00 C ATOM 353 C GLY A 23 76.264 -14.023 0.299 1.00 0.00 C ATOM 354 O GLY A 23 76.050 -15.069 -0.312 1.00 0.00 O ATOM 0 H GLY A 23 75.603 -11.853 2.598 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.774 -14.092 2.393 1.00 0.00 H new ATOM 0 HA3 GLY A 23 74.379 -13.985 1.337 1.00 0.00 H new ATOM 358 N GLY A 24 77.244 -13.185 -0.023 1.00 0.00 N ATOM 359 CA GLY A 24 78.137 -13.463 -1.140 1.00 0.00 C ATOM 360 C GLY A 24 79.275 -14.383 -0.713 1.00 0.00 C ATOM 361 O GLY A 24 79.077 -15.318 0.062 1.00 0.00 O ATOM 0 H GLY A 24 77.439 -12.314 0.470 1.00 0.00 H new ATOM 0 HA2 GLY A 24 77.576 -13.925 -1.952 1.00 0.00 H new ATOM 0 HA3 GLY A 24 78.545 -12.529 -1.525 1.00 0.00 H new ATOM 365 N LYS A 25 80.467 -14.105 -1.229 1.00 0.00 N ATOM 366 CA LYS A 25 81.643 -14.905 -0.905 1.00 0.00 C ATOM 367 C LYS A 25 82.894 -14.033 -0.915 1.00 0.00 C ATOM 368 O LYS A 25 83.435 -13.722 -1.976 1.00 0.00 O ATOM 369 CB LYS A 25 81.801 -16.039 -1.924 1.00 0.00 C ATOM 370 CG LYS A 25 80.420 -16.540 -2.361 1.00 0.00 C ATOM 371 CD LYS A 25 80.577 -17.713 -3.334 1.00 0.00 C ATOM 372 CE LYS A 25 80.854 -17.185 -4.746 1.00 0.00 C ATOM 373 NZ LYS A 25 80.842 -18.322 -5.710 1.00 0.00 N1+ ATOM 0 H LYS A 25 80.645 -13.333 -1.872 1.00 0.00 H new ATOM 0 HA LYS A 25 81.512 -15.329 0.091 1.00 0.00 H new ATOM 0 HB2 LYS A 25 82.361 -15.687 -2.790 1.00 0.00 H new ATOM 0 HB3 LYS A 25 82.373 -16.857 -1.486 1.00 0.00 H new ATOM 0 HG2 LYS A 25 79.844 -16.853 -1.490 1.00 0.00 H new ATOM 0 HG3 LYS A 25 79.864 -15.732 -2.837 1.00 0.00 H new ATOM 0 HD2 LYS A 25 81.394 -18.358 -3.011 1.00 0.00 H new ATOM 0 HD3 LYS A 25 79.672 -18.320 -3.334 1.00 0.00 H new ATOM 0 HE2 LYS A 25 80.100 -16.449 -5.025 1.00 0.00 H new ATOM 0 HE3 LYS A 25 81.819 -16.680 -4.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 81.030 -17.966 -6.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 81.577 -19.009 -5.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 79.911 -18.785 -5.689 1.00 0.00 H new ATOM 387 N HIS A 26 83.349 -13.638 0.269 1.00 0.00 N ATOM 388 CA HIS A 26 84.537 -12.800 0.376 1.00 0.00 C ATOM 389 C HIS A 26 85.708 -13.443 -0.357 1.00 0.00 C ATOM 390 O HIS A 26 86.087 -14.579 -0.072 1.00 0.00 O ATOM 391 CB HIS A 26 84.900 -12.590 1.849 1.00 0.00 C ATOM 392 CG HIS A 26 84.576 -13.835 2.629 1.00 0.00 C ATOM 393 ND1 HIS A 26 85.011 -15.090 2.232 1.00 0.00 N ATOM 394 CD2 HIS A 26 83.862 -14.035 3.784 1.00 0.00 C ATOM 395 CE1 HIS A 26 84.559 -15.980 3.133 1.00 0.00 C ATOM 396 NE2 HIS A 26 83.852 -15.391 4.100 1.00 0.00 N ATOM 0 H HIS A 26 82.918 -13.882 1.161 1.00 0.00 H new ATOM 0 HA HIS A 26 84.323 -11.834 -0.082 1.00 0.00 H new ATOM 0 HB2 HIS A 26 85.960 -12.355 1.943 1.00 0.00 H new ATOM 0 HB3 HIS A 26 84.348 -11.741 2.253 1.00 0.00 H new ATOM 0 HD1 HIS A 26 85.572 -15.300 1.406 1.00 0.00 H new ATOM 0 HD2 HIS A 26 83.381 -13.258 4.360 1.00 0.00 H new ATOM 0 HE1 HIS A 26 84.745 -17.043 3.081 1.00 0.00 H new ATOM 405 N LYS A 27 86.278 -12.704 -1.304 1.00 0.00 N ATOM 406 CA LYS A 27 87.409 -13.204 -2.079 1.00 0.00 C ATOM 407 C LYS A 27 88.463 -12.113 -2.243 1.00 0.00 C ATOM 408 O LYS A 27 88.157 -10.998 -2.667 1.00 0.00 O ATOM 409 CB LYS A 27 86.934 -13.673 -3.457 1.00 0.00 C ATOM 410 CG LYS A 27 86.453 -12.470 -4.273 1.00 0.00 C ATOM 411 CD LYS A 27 85.612 -12.958 -5.456 1.00 0.00 C ATOM 412 CE LYS A 27 85.492 -11.843 -6.496 1.00 0.00 C ATOM 413 NZ LYS A 27 86.778 -11.714 -7.237 1.00 0.00 N1+ ATOM 0 H LYS A 27 85.977 -11.762 -1.553 1.00 0.00 H new ATOM 0 HA LYS A 27 87.851 -14.046 -1.545 1.00 0.00 H new ATOM 0 HB2 LYS A 27 87.746 -14.178 -3.980 1.00 0.00 H new ATOM 0 HB3 LYS A 27 86.126 -14.397 -3.347 1.00 0.00 H new ATOM 0 HG2 LYS A 27 85.863 -11.803 -3.644 1.00 0.00 H new ATOM 0 HG3 LYS A 27 87.307 -11.896 -4.633 1.00 0.00 H new ATOM 0 HD2 LYS A 27 86.073 -13.838 -5.904 1.00 0.00 H new ATOM 0 HD3 LYS A 27 84.622 -13.256 -5.112 1.00 0.00 H new ATOM 0 HE2 LYS A 27 84.681 -12.064 -7.190 1.00 0.00 H new ATOM 0 HE3 LYS A 27 85.245 -10.900 -6.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 86.612 -11.222 -8.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 87.455 -11.169 -6.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 87.167 -12.660 -7.425 1.00 0.00 H new ATOM 427 N THR A 28 89.704 -12.441 -1.899 1.00 0.00 N ATOM 428 CA THR A 28 90.794 -11.481 -2.007 1.00 0.00 C ATOM 429 C THR A 28 90.379 -10.137 -1.412 1.00 0.00 C ATOM 430 O THR A 28 90.887 -9.088 -1.807 1.00 0.00 O ATOM 431 CB THR A 28 91.186 -11.297 -3.477 1.00 0.00 C ATOM 432 OG1 THR A 28 91.079 -12.543 -4.151 1.00 0.00 O ATOM 433 CG2 THR A 28 92.626 -10.788 -3.568 1.00 0.00 C ATOM 0 H THR A 28 89.978 -13.358 -1.546 1.00 0.00 H new ATOM 0 HA THR A 28 91.651 -11.863 -1.452 1.00 0.00 H new ATOM 0 HB THR A 28 90.519 -10.571 -3.942 1.00 0.00 H new ATOM 0 HG1 THR A 28 91.327 -12.428 -5.092 1.00 0.00 H new ATOM 0 HG21 THR A 28 92.901 -10.659 -4.615 1.00 0.00 H new ATOM 0 HG22 THR A 28 92.707 -9.832 -3.051 1.00 0.00 H new ATOM 0 HG23 THR A 28 93.297 -11.510 -3.103 1.00 0.00 H new ATOM 441 N GLY A 29 89.456 -10.180 -0.459 1.00 0.00 N ATOM 442 CA GLY A 29 88.982 -8.961 0.187 1.00 0.00 C ATOM 443 C GLY A 29 87.720 -9.233 1.005 1.00 0.00 C ATOM 444 O GLY A 29 86.993 -10.191 0.739 1.00 0.00 O ATOM 0 H GLY A 29 89.023 -11.038 -0.118 1.00 0.00 H new ATOM 0 HA2 GLY A 29 89.762 -8.562 0.836 1.00 0.00 H new ATOM 0 HA3 GLY A 29 88.775 -8.202 -0.567 1.00 0.00 H new ATOM 448 N PRO A 30 87.448 -8.411 1.987 1.00 0.00 N ATOM 449 CA PRO A 30 86.245 -8.566 2.859 1.00 0.00 C ATOM 450 C PRO A 30 84.962 -8.124 2.158 1.00 0.00 C ATOM 451 O PRO A 30 85.004 -7.440 1.136 1.00 0.00 O ATOM 452 CB PRO A 30 86.558 -7.659 4.051 1.00 0.00 C ATOM 453 CG PRO A 30 87.442 -6.590 3.499 1.00 0.00 C ATOM 454 CD PRO A 30 88.256 -7.242 2.377 1.00 0.00 C ATOM 0 HA PRO A 30 86.066 -9.605 3.137 1.00 0.00 H new ATOM 0 HB2 PRO A 30 85.647 -7.238 4.477 1.00 0.00 H new ATOM 0 HB3 PRO A 30 87.056 -8.211 4.848 1.00 0.00 H new ATOM 0 HG2 PRO A 30 86.852 -5.756 3.118 1.00 0.00 H new ATOM 0 HG3 PRO A 30 88.097 -6.189 4.272 1.00 0.00 H new ATOM 0 HD2 PRO A 30 88.401 -6.559 1.540 1.00 0.00 H new ATOM 0 HD3 PRO A 30 89.247 -7.538 2.722 1.00 0.00 H new ATOM 462 N ASN A 31 83.821 -8.515 2.721 1.00 0.00 N ATOM 463 CA ASN A 31 82.527 -8.152 2.151 1.00 0.00 C ATOM 464 C ASN A 31 82.035 -6.841 2.755 1.00 0.00 C ATOM 465 O ASN A 31 81.926 -6.712 3.973 1.00 0.00 O ATOM 466 CB ASN A 31 81.509 -9.260 2.425 1.00 0.00 C ATOM 467 CG ASN A 31 81.161 -9.296 3.910 1.00 0.00 C ATOM 468 OD1 ASN A 31 80.369 -8.480 4.383 1.00 0.00 O ATOM 469 ND2 ASN A 31 81.708 -10.198 4.677 1.00 0.00 N ATOM 0 H ASN A 31 83.767 -9.081 3.568 1.00 0.00 H new ATOM 0 HA ASN A 31 82.641 -8.026 1.074 1.00 0.00 H new ATOM 0 HB2 ASN A 31 80.608 -9.090 1.836 1.00 0.00 H new ATOM 0 HB3 ASN A 31 81.915 -10.223 2.115 1.00 0.00 H new ATOM 0 HD21 ASN A 31 81.480 -10.229 5.671 1.00 0.00 H new ATOM 0 HD22 ASN A 31 82.364 -10.873 4.283 1.00 0.00 H new ATOM 476 N LEU A 32 81.746 -5.869 1.896 1.00 0.00 N ATOM 477 CA LEU A 32 81.278 -4.566 2.359 1.00 0.00 C ATOM 478 C LEU A 32 79.797 -4.609 2.734 1.00 0.00 C ATOM 479 O LEU A 32 79.077 -3.627 2.560 1.00 0.00 O ATOM 480 CB LEU A 32 81.497 -3.505 1.272 1.00 0.00 C ATOM 481 CG LEU A 32 82.851 -3.722 0.582 1.00 0.00 C ATOM 482 CD1 LEU A 32 83.199 -2.494 -0.275 1.00 0.00 C ATOM 483 CD2 LEU A 32 83.943 -3.930 1.638 1.00 0.00 C ATOM 0 H LEU A 32 81.826 -5.957 0.883 1.00 0.00 H new ATOM 0 HA LEU A 32 81.854 -4.305 3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 32 80.694 -3.556 0.537 1.00 0.00 H new ATOM 0 HB3 LEU A 32 81.462 -2.509 1.714 1.00 0.00 H new ATOM 0 HG LEU A 32 82.789 -4.604 -0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 32 84.161 -2.652 -0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 32 82.428 -2.348 -1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 32 83.256 -1.611 0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 32 84.902 -4.084 1.144 1.00 0.00 H new ATOM 0 HD22 LEU A 32 84.002 -3.050 2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 32 83.702 -4.804 2.243 1.00 0.00 H new ATOM 495 N HIS A 33 79.350 -5.745 3.258 1.00 0.00 N ATOM 496 CA HIS A 33 77.952 -5.885 3.663 1.00 0.00 C ATOM 497 C HIS A 33 77.623 -4.876 4.759 1.00 0.00 C ATOM 498 O HIS A 33 78.419 -4.665 5.672 1.00 0.00 O ATOM 499 CB HIS A 33 77.692 -7.299 4.181 1.00 0.00 C ATOM 500 CG HIS A 33 77.964 -8.297 3.090 1.00 0.00 C ATOM 501 ND1 HIS A 33 78.081 -9.654 3.344 1.00 0.00 N ATOM 502 CD2 HIS A 33 78.143 -8.151 1.738 1.00 0.00 C ATOM 503 CE1 HIS A 33 78.321 -10.268 2.171 1.00 0.00 C ATOM 504 NE2 HIS A 33 78.368 -9.397 1.158 1.00 0.00 N ATOM 0 H HIS A 33 79.925 -6.573 3.412 1.00 0.00 H new ATOM 0 HA HIS A 33 77.318 -5.698 2.796 1.00 0.00 H new ATOM 0 HB2 HIS A 33 78.329 -7.504 5.042 1.00 0.00 H new ATOM 0 HB3 HIS A 33 76.660 -7.388 4.520 1.00 0.00 H new ATOM 0 HD2 HIS A 33 78.114 -7.213 1.204 1.00 0.00 H new ATOM 0 HE1 HIS A 33 78.459 -11.334 2.061 1.00 0.00 H new ATOM 0 HE2 HIS A 33 78.533 -9.601 0.172 1.00 0.00 H new ATOM 513 N GLY A 34 76.450 -4.251 4.665 1.00 0.00 N ATOM 514 CA GLY A 34 76.042 -3.262 5.662 1.00 0.00 C ATOM 515 C GLY A 34 77.241 -2.435 6.116 1.00 0.00 C ATOM 516 O GLY A 34 77.284 -1.939 7.242 1.00 0.00 O ATOM 0 H GLY A 34 75.773 -4.409 3.919 1.00 0.00 H new ATOM 0 HA2 GLY A 34 75.279 -2.607 5.242 1.00 0.00 H new ATOM 0 HA3 GLY A 34 75.594 -3.765 6.519 1.00 0.00 H new ATOM 520 N LEU A 35 78.212 -2.302 5.222 1.00 0.00 N ATOM 521 CA LEU A 35 79.426 -1.549 5.506 1.00 0.00 C ATOM 522 C LEU A 35 79.104 -0.257 6.257 1.00 0.00 C ATOM 523 O LEU A 35 79.615 -0.010 7.347 1.00 0.00 O ATOM 524 CB LEU A 35 80.122 -1.226 4.175 1.00 0.00 C ATOM 525 CG LEU A 35 81.354 -0.333 4.399 1.00 0.00 C ATOM 526 CD1 LEU A 35 82.577 -1.203 4.702 1.00 0.00 C ATOM 527 CD2 LEU A 35 81.627 0.491 3.136 1.00 0.00 C ATOM 0 H LEU A 35 78.181 -2.709 4.287 1.00 0.00 H new ATOM 0 HA LEU A 35 80.082 -2.147 6.139 1.00 0.00 H new ATOM 0 HB2 LEU A 35 80.424 -2.151 3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 35 79.422 -0.725 3.507 1.00 0.00 H new ATOM 0 HG LEU A 35 81.162 0.333 5.240 1.00 0.00 H new ATOM 0 HD11 LEU A 35 83.447 -0.565 4.860 1.00 0.00 H new ATOM 0 HD12 LEU A 35 82.391 -1.792 5.600 1.00 0.00 H new ATOM 0 HD13 LEU A 35 82.765 -1.872 3.862 1.00 0.00 H new ATOM 0 HD21 LEU A 35 82.500 1.123 3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 35 81.813 -0.180 2.297 1.00 0.00 H new ATOM 0 HD23 LEU A 35 80.762 1.116 2.915 1.00 0.00 H new ATOM 539 N PHE A 36 78.263 0.567 5.659 1.00 0.00 N ATOM 540 CA PHE A 36 77.890 1.840 6.265 1.00 0.00 C ATOM 541 C PHE A 36 77.321 1.648 7.670 1.00 0.00 C ATOM 542 O PHE A 36 76.120 1.434 7.835 1.00 0.00 O ATOM 543 CB PHE A 36 76.857 2.550 5.383 1.00 0.00 C ATOM 544 CG PHE A 36 77.316 2.520 3.943 1.00 0.00 C ATOM 545 CD1 PHE A 36 77.088 1.384 3.154 1.00 0.00 C ATOM 546 CD2 PHE A 36 77.978 3.627 3.395 1.00 0.00 C ATOM 547 CE1 PHE A 36 77.523 1.356 1.825 1.00 0.00 C ATOM 548 CE2 PHE A 36 78.412 3.596 2.068 1.00 0.00 C ATOM 549 CZ PHE A 36 78.186 2.461 1.282 1.00 0.00 C ATOM 0 H PHE A 36 77.824 0.382 4.757 1.00 0.00 H new ATOM 0 HA PHE A 36 78.790 2.449 6.346 1.00 0.00 H new ATOM 0 HB2 PHE A 36 75.887 2.062 5.477 1.00 0.00 H new ATOM 0 HB3 PHE A 36 76.729 3.581 5.713 1.00 0.00 H new ATOM 0 HD1 PHE A 36 76.576 0.530 3.573 1.00 0.00 H new ATOM 0 HD2 PHE A 36 78.153 4.505 3.999 1.00 0.00 H new ATOM 0 HE1 PHE A 36 77.347 0.480 1.218 1.00 0.00 H new ATOM 0 HE2 PHE A 36 78.923 4.450 1.648 1.00 0.00 H new ATOM 0 HZ PHE A 36 78.523 2.438 0.256 1.00 0.00 H new ATOM 559 N GLY A 37 78.185 1.749 8.686 1.00 0.00 N ATOM 560 CA GLY A 37 77.731 1.608 10.071 1.00 0.00 C ATOM 561 C GLY A 37 78.718 0.827 10.942 1.00 0.00 C ATOM 562 O GLY A 37 78.768 1.028 12.155 1.00 0.00 O ATOM 0 H GLY A 37 79.184 1.925 8.578 1.00 0.00 H new ATOM 0 HA2 GLY A 37 77.578 2.598 10.501 1.00 0.00 H new ATOM 0 HA3 GLY A 37 76.765 1.103 10.082 1.00 0.00 H new ATOM 566 N ARG A 38 79.485 -0.078 10.338 1.00 0.00 N ATOM 567 CA ARG A 38 80.435 -0.885 11.108 1.00 0.00 C ATOM 568 C ARG A 38 81.792 -0.188 11.236 1.00 0.00 C ATOM 569 O ARG A 38 82.214 0.549 10.345 1.00 0.00 O ATOM 570 CB ARG A 38 80.626 -2.253 10.438 1.00 0.00 C ATOM 571 CG ARG A 38 79.716 -3.302 11.096 1.00 0.00 C ATOM 572 CD ARG A 38 80.128 -4.711 10.641 1.00 0.00 C ATOM 573 NE ARG A 38 79.284 -5.151 9.530 1.00 0.00 N ATOM 574 CZ ARG A 38 79.795 -5.694 8.421 1.00 0.00 C ATOM 575 NH1 ARG A 38 81.087 -5.828 8.277 1.00 0.00 N ATOM 576 NH2 ARG A 38 78.995 -6.093 7.472 1.00 0.00 N1+ ATOM 0 H ARG A 38 79.471 -0.271 9.336 1.00 0.00 H new ATOM 0 HA ARG A 38 80.022 -1.016 12.108 1.00 0.00 H new ATOM 0 HB2 ARG A 38 80.398 -2.180 9.375 1.00 0.00 H new ATOM 0 HB3 ARG A 38 81.668 -2.563 10.520 1.00 0.00 H new ATOM 0 HG2 ARG A 38 79.785 -3.226 12.181 1.00 0.00 H new ATOM 0 HG3 ARG A 38 78.676 -3.113 10.828 1.00 0.00 H new ATOM 0 HD2 ARG A 38 81.174 -4.711 10.334 1.00 0.00 H new ATOM 0 HD3 ARG A 38 80.040 -5.410 11.473 1.00 0.00 H new ATOM 0 HE ARG A 38 78.273 -5.040 9.604 1.00 0.00 H new ATOM 0 HH11 ARG A 38 81.718 -5.517 9.016 1.00 0.00 H new ATOM 0 HH12 ARG A 38 81.465 -6.244 7.426 1.00 0.00 H new ATOM 0 HH21 ARG A 38 77.986 -5.990 7.579 1.00 0.00 H new ATOM 0 HH22 ARG A 38 79.378 -6.508 6.623 1.00 0.00 H new ATOM 590 N LYS A 39 82.470 -0.443 12.357 1.00 0.00 N ATOM 591 CA LYS A 39 83.781 0.148 12.616 1.00 0.00 C ATOM 592 C LYS A 39 84.836 -0.437 11.677 1.00 0.00 C ATOM 593 O LYS A 39 84.594 -1.441 11.010 1.00 0.00 O ATOM 594 CB LYS A 39 84.190 -0.114 14.071 1.00 0.00 C ATOM 595 CG LYS A 39 83.610 0.973 14.988 1.00 0.00 C ATOM 596 CD LYS A 39 84.580 2.157 15.078 1.00 0.00 C ATOM 597 CE LYS A 39 84.071 3.150 16.123 1.00 0.00 C ATOM 598 NZ LYS A 39 84.911 4.380 16.090 1.00 0.00 N1+ ATOM 0 H LYS A 39 82.131 -1.055 13.099 1.00 0.00 H new ATOM 0 HA LYS A 39 83.714 1.222 12.440 1.00 0.00 H new ATOM 0 HB2 LYS A 39 83.833 -1.095 14.386 1.00 0.00 H new ATOM 0 HB3 LYS A 39 85.277 -0.129 14.154 1.00 0.00 H new ATOM 0 HG2 LYS A 39 82.647 1.310 14.603 1.00 0.00 H new ATOM 0 HG3 LYS A 39 83.430 0.564 15.982 1.00 0.00 H new ATOM 0 HD2 LYS A 39 85.576 1.806 15.348 1.00 0.00 H new ATOM 0 HD3 LYS A 39 84.667 2.645 14.107 1.00 0.00 H new ATOM 0 HE2 LYS A 39 83.030 3.402 15.923 1.00 0.00 H new ATOM 0 HE3 LYS A 39 84.105 2.700 17.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 84.565 5.056 16.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 85.899 4.132 16.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 84.856 4.812 15.146 1.00 0.00 H new ATOM 612 N THR A 40 86.004 0.204 11.630 1.00 0.00 N ATOM 613 CA THR A 40 87.090 -0.251 10.767 1.00 0.00 C ATOM 614 C THR A 40 87.582 -1.638 11.168 1.00 0.00 C ATOM 615 O THR A 40 87.612 -1.985 12.349 1.00 0.00 O ATOM 616 CB THR A 40 88.256 0.740 10.824 1.00 0.00 C ATOM 617 OG1 THR A 40 88.435 1.180 12.162 1.00 0.00 O ATOM 618 CG2 THR A 40 87.954 1.942 9.930 1.00 0.00 C ATOM 0 H THR A 40 86.220 1.037 12.178 1.00 0.00 H new ATOM 0 HA THR A 40 86.702 -0.308 9.750 1.00 0.00 H new ATOM 0 HB THR A 40 89.165 0.250 10.475 1.00 0.00 H new ATOM 0 HG1 THR A 40 89.378 1.088 12.413 1.00 0.00 H new ATOM 0 HG21 THR A 40 88.786 2.645 9.973 1.00 0.00 H new ATOM 0 HG22 THR A 40 87.816 1.606 8.902 1.00 0.00 H new ATOM 0 HG23 THR A 40 87.045 2.434 10.276 1.00 0.00 H new ATOM 626 N GLY A 41 87.980 -2.420 10.167 1.00 0.00 N ATOM 627 CA GLY A 41 88.485 -3.765 10.405 1.00 0.00 C ATOM 628 C GLY A 41 87.611 -4.516 11.401 1.00 0.00 C ATOM 629 O GLY A 41 88.108 -5.075 12.379 1.00 0.00 O ATOM 0 H GLY A 41 87.962 -2.143 9.185 1.00 0.00 H new ATOM 0 HA2 GLY A 41 88.522 -4.314 9.464 1.00 0.00 H new ATOM 0 HA3 GLY A 41 89.506 -3.711 10.782 1.00 0.00 H new ATOM 633 N GLN A 42 86.306 -4.519 11.151 1.00 0.00 N ATOM 634 CA GLN A 42 85.363 -5.198 12.038 1.00 0.00 C ATOM 635 C GLN A 42 84.688 -6.368 11.327 1.00 0.00 C ATOM 636 O GLN A 42 84.120 -7.250 11.971 1.00 0.00 O ATOM 637 CB GLN A 42 84.297 -4.209 12.515 1.00 0.00 C ATOM 638 CG GLN A 42 83.352 -4.910 13.494 1.00 0.00 C ATOM 639 CD GLN A 42 82.517 -3.876 14.242 1.00 0.00 C ATOM 640 OE1 GLN A 42 82.508 -3.858 15.471 1.00 0.00 O ATOM 641 NE2 GLN A 42 81.813 -3.009 13.568 1.00 0.00 N ATOM 0 H GLN A 42 85.877 -4.062 10.346 1.00 0.00 H new ATOM 0 HA GLN A 42 85.918 -5.585 12.893 1.00 0.00 H new ATOM 0 HB2 GLN A 42 84.769 -3.354 12.998 1.00 0.00 H new ATOM 0 HB3 GLN A 42 83.736 -3.824 11.664 1.00 0.00 H new ATOM 0 HG2 GLN A 42 82.699 -5.596 12.954 1.00 0.00 H new ATOM 0 HG3 GLN A 42 83.926 -5.507 14.202 1.00 0.00 H new ATOM 0 HE21 GLN A 42 81.823 -3.027 12.548 1.00 0.00 H new ATOM 0 HE22 GLN A 42 81.253 -2.313 14.061 1.00 0.00 H new ATOM 701 N THR A 47 91.866 -10.980 7.031 1.00 0.00 N ATOM 702 CA THR A 47 92.774 -10.609 8.111 1.00 0.00 C ATOM 703 C THR A 47 93.068 -9.113 8.073 1.00 0.00 C ATOM 704 O THR A 47 94.088 -8.683 7.534 1.00 0.00 O ATOM 705 CB THR A 47 94.083 -11.389 7.983 1.00 0.00 C ATOM 706 OG1 THR A 47 93.798 -12.779 7.901 1.00 0.00 O ATOM 707 CG2 THR A 47 94.963 -11.118 9.203 1.00 0.00 C ATOM 0 HA THR A 47 92.297 -10.851 9.061 1.00 0.00 H new ATOM 0 HB THR A 47 94.608 -11.071 7.082 1.00 0.00 H new ATOM 0 HG1 THR A 47 92.908 -12.908 7.511 1.00 0.00 H new ATOM 0 HG21 THR A 47 95.895 -11.675 9.110 1.00 0.00 H new ATOM 0 HG22 THR A 47 95.182 -10.052 9.264 1.00 0.00 H new ATOM 0 HG23 THR A 47 94.440 -11.434 10.106 1.00 0.00 H new ATOM 715 N TYR A 48 92.167 -8.325 8.649 1.00 0.00 N ATOM 716 CA TYR A 48 92.333 -6.876 8.678 1.00 0.00 C ATOM 717 C TYR A 48 93.649 -6.496 9.347 1.00 0.00 C ATOM 718 O TYR A 48 94.139 -7.207 10.224 1.00 0.00 O ATOM 719 CB TYR A 48 91.174 -6.237 9.447 1.00 0.00 C ATOM 720 CG TYR A 48 89.991 -6.065 8.531 1.00 0.00 C ATOM 721 CD1 TYR A 48 90.071 -5.177 7.455 1.00 0.00 C ATOM 722 CD2 TYR A 48 88.811 -6.780 8.764 1.00 0.00 C ATOM 723 CE1 TYR A 48 88.972 -5.004 6.608 1.00 0.00 C ATOM 724 CE2 TYR A 48 87.711 -6.605 7.919 1.00 0.00 C ATOM 725 CZ TYR A 48 87.791 -5.717 6.841 1.00 0.00 C ATOM 726 OH TYR A 48 86.703 -5.542 6.013 1.00 0.00 O ATOM 0 H TYR A 48 91.317 -8.663 9.101 1.00 0.00 H new ATOM 0 HA TYR A 48 92.342 -6.512 7.651 1.00 0.00 H new ATOM 0 HB2 TYR A 48 90.900 -6.862 10.297 1.00 0.00 H new ATOM 0 HB3 TYR A 48 91.480 -5.270 9.848 1.00 0.00 H new ATOM 0 HD1 TYR A 48 90.982 -4.624 7.278 1.00 0.00 H new ATOM 0 HD2 TYR A 48 88.750 -7.466 9.596 1.00 0.00 H new ATOM 0 HE1 TYR A 48 89.035 -4.320 5.774 1.00 0.00 H new ATOM 0 HE2 TYR A 48 86.799 -7.155 8.099 1.00 0.00 H new ATOM 0 HH TYR A 48 85.967 -6.113 6.315 1.00 0.00 H new ATOM 736 N THR A 49 94.210 -5.365 8.933 1.00 0.00 N ATOM 737 CA THR A 49 95.465 -4.896 9.512 1.00 0.00 C ATOM 738 C THR A 49 95.201 -4.175 10.831 1.00 0.00 C ATOM 739 O THR A 49 94.125 -3.617 11.036 1.00 0.00 O ATOM 740 CB THR A 49 96.168 -3.947 8.539 1.00 0.00 C ATOM 741 OG1 THR A 49 95.341 -2.816 8.302 1.00 0.00 O ATOM 742 CG2 THR A 49 96.438 -4.672 7.215 1.00 0.00 C ATOM 0 H THR A 49 93.822 -4.762 8.208 1.00 0.00 H new ATOM 0 HA THR A 49 96.106 -5.758 9.700 1.00 0.00 H new ATOM 0 HB THR A 49 97.115 -3.622 8.970 1.00 0.00 H new ATOM 0 HG1 THR A 49 95.439 -2.179 9.040 1.00 0.00 H new ATOM 0 HG21 THR A 49 96.939 -3.994 6.524 1.00 0.00 H new ATOM 0 HG22 THR A 49 97.074 -5.538 7.398 1.00 0.00 H new ATOM 0 HG23 THR A 49 95.494 -5.000 6.781 1.00 0.00 H new ATOM 750 N ASP A 50 96.187 -4.196 11.724 1.00 0.00 N ATOM 751 CA ASP A 50 96.044 -3.542 13.023 1.00 0.00 C ATOM 752 C ASP A 50 95.425 -2.158 12.864 1.00 0.00 C ATOM 753 O ASP A 50 94.555 -1.762 13.640 1.00 0.00 O ATOM 754 CB ASP A 50 97.410 -3.417 13.698 1.00 0.00 C ATOM 755 CG ASP A 50 97.272 -2.656 15.012 1.00 0.00 C ATOM 756 OD1 ASP A 50 96.184 -2.658 15.564 1.00 0.00 O1- ATOM 757 OD2 ASP A 50 98.257 -2.083 15.448 1.00 0.00 O ATOM 0 H ASP A 50 97.086 -4.654 11.575 1.00 0.00 H new ATOM 0 HA ASP A 50 95.386 -4.151 13.643 1.00 0.00 H new ATOM 0 HB2 ASP A 50 97.826 -4.407 13.883 1.00 0.00 H new ATOM 0 HB3 ASP A 50 98.105 -2.898 13.038 1.00 0.00 H new ATOM 762 N ALA A 51 95.882 -1.425 11.856 1.00 0.00 N ATOM 763 CA ALA A 51 95.371 -0.083 11.606 1.00 0.00 C ATOM 764 C ALA A 51 93.853 -0.096 11.482 1.00 0.00 C ATOM 765 O ALA A 51 93.162 0.677 12.143 1.00 0.00 O ATOM 766 CB ALA A 51 95.987 0.474 10.324 1.00 0.00 C ATOM 0 H ALA A 51 96.601 -1.735 11.202 1.00 0.00 H new ATOM 0 HA ALA A 51 95.644 0.552 12.449 1.00 0.00 H new ATOM 0 HB1 ALA A 51 95.602 1.477 10.141 1.00 0.00 H new ATOM 0 HB2 ALA A 51 97.071 0.515 10.429 1.00 0.00 H new ATOM 0 HB3 ALA A 51 95.728 -0.172 9.485 1.00 0.00 H new ATOM 772 N ASN A 52 93.338 -0.973 10.629 1.00 0.00 N ATOM 773 CA ASN A 52 91.897 -1.071 10.429 1.00 0.00 C ATOM 774 C ASN A 52 91.233 -1.717 11.644 1.00 0.00 C ATOM 775 O ASN A 52 90.059 -1.482 11.924 1.00 0.00 O ATOM 776 CB ASN A 52 91.609 -1.904 9.167 1.00 0.00 C ATOM 777 CG ASN A 52 90.594 -1.201 8.265 1.00 0.00 C ATOM 778 OD1 ASN A 52 90.286 -0.026 8.464 1.00 0.00 O ATOM 779 ND2 ASN A 52 90.057 -1.857 7.274 1.00 0.00 N ATOM 0 H ASN A 52 93.891 -1.622 10.069 1.00 0.00 H new ATOM 0 HA ASN A 52 91.487 -0.069 10.303 1.00 0.00 H new ATOM 0 HB2 ASN A 52 92.536 -2.070 8.617 1.00 0.00 H new ATOM 0 HB3 ASN A 52 91.228 -2.884 9.453 1.00 0.00 H new ATOM 0 HD21 ASN A 52 89.382 -1.396 6.664 1.00 0.00 H new ATOM 0 HD22 ASN A 52 90.312 -2.831 7.109 1.00 0.00 H new ATOM 786 N LYS A 53 92.002 -2.523 12.367 1.00 0.00 N ATOM 787 CA LYS A 53 91.492 -3.198 13.552 1.00 0.00 C ATOM 788 C LYS A 53 91.604 -2.270 14.756 1.00 0.00 C ATOM 789 O LYS A 53 91.035 -2.531 15.814 1.00 0.00 O ATOM 790 CB LYS A 53 92.286 -4.499 13.776 1.00 0.00 C ATOM 791 CG LYS A 53 92.566 -4.725 15.267 1.00 0.00 C ATOM 792 CD LYS A 53 93.235 -6.086 15.457 1.00 0.00 C ATOM 793 CE LYS A 53 93.337 -6.402 16.950 1.00 0.00 C ATOM 794 NZ LYS A 53 93.863 -7.784 17.131 1.00 0.00 N1+ ATOM 0 H LYS A 53 92.979 -2.724 12.153 1.00 0.00 H new ATOM 0 HA LYS A 53 90.441 -3.453 13.416 1.00 0.00 H new ATOM 0 HB2 LYS A 53 91.726 -5.344 13.376 1.00 0.00 H new ATOM 0 HB3 LYS A 53 93.228 -4.453 13.229 1.00 0.00 H new ATOM 0 HG2 LYS A 53 93.210 -3.934 15.651 1.00 0.00 H new ATOM 0 HG3 LYS A 53 91.636 -4.682 15.834 1.00 0.00 H new ATOM 0 HD2 LYS A 53 92.659 -6.860 14.949 1.00 0.00 H new ATOM 0 HD3 LYS A 53 94.228 -6.081 15.007 1.00 0.00 H new ATOM 0 HE2 LYS A 53 93.995 -5.684 17.440 1.00 0.00 H new ATOM 0 HE3 LYS A 53 92.358 -6.310 17.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 93.932 -7.999 18.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 93.219 -8.463 16.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 94.805 -7.857 16.697 1.00 0.00 H new ATOM 808 N ASN A 54 92.341 -1.181 14.578 1.00 0.00 N ATOM 809 CA ASN A 54 92.523 -0.213 15.648 1.00 0.00 C ATOM 810 C ASN A 54 91.197 0.452 15.990 1.00 0.00 C ATOM 811 O ASN A 54 91.034 1.035 17.062 1.00 0.00 O ATOM 812 CB ASN A 54 93.534 0.847 15.205 1.00 0.00 C ATOM 813 CG ASN A 54 92.832 2.024 14.530 1.00 0.00 C ATOM 814 OD1 ASN A 54 93.209 3.176 14.745 1.00 0.00 O ATOM 815 ND2 ASN A 54 91.832 1.805 13.721 1.00 0.00 N ATOM 0 H ASN A 54 92.819 -0.948 13.708 1.00 0.00 H new ATOM 0 HA ASN A 54 92.895 -0.727 16.535 1.00 0.00 H new ATOM 0 HB2 ASN A 54 94.097 1.201 16.069 1.00 0.00 H new ATOM 0 HB3 ASN A 54 94.253 0.404 14.516 1.00 0.00 H new ATOM 0 HD21 ASN A 54 91.363 2.588 13.267 1.00 0.00 H new ATOM 0 HD22 ASN A 54 91.520 0.850 13.543 1.00 0.00 H new ATOM 822 N LYS A 55 90.258 0.356 15.063 1.00 0.00 N ATOM 823 CA LYS A 55 88.938 0.951 15.258 1.00 0.00 C ATOM 824 C LYS A 55 89.056 2.459 15.460 1.00 0.00 C ATOM 825 O LYS A 55 88.735 2.978 16.529 1.00 0.00 O ATOM 826 CB LYS A 55 88.250 0.327 16.478 1.00 0.00 C ATOM 827 CG LYS A 55 88.555 -1.174 16.536 1.00 0.00 C ATOM 828 CD LYS A 55 87.454 -1.891 17.321 1.00 0.00 C ATOM 829 CE LYS A 55 87.826 -3.365 17.495 1.00 0.00 C ATOM 830 NZ LYS A 55 86.617 -4.136 17.903 1.00 0.00 N1+ ATOM 0 H LYS A 55 90.380 -0.125 14.172 1.00 0.00 H new ATOM 0 HA LYS A 55 88.341 0.756 14.367 1.00 0.00 H new ATOM 0 HB2 LYS A 55 88.596 0.813 17.390 1.00 0.00 H new ATOM 0 HB3 LYS A 55 87.173 0.487 16.421 1.00 0.00 H new ATOM 0 HG2 LYS A 55 88.621 -1.581 15.527 1.00 0.00 H new ATOM 0 HG3 LYS A 55 89.522 -1.341 17.011 1.00 0.00 H new ATOM 0 HD2 LYS A 55 87.323 -1.421 18.296 1.00 0.00 H new ATOM 0 HD3 LYS A 55 86.503 -1.805 16.795 1.00 0.00 H new ATOM 0 HE2 LYS A 55 88.227 -3.763 16.563 1.00 0.00 H new ATOM 0 HE3 LYS A 55 88.608 -3.468 18.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 86.868 -5.138 18.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 86.253 -3.761 18.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 85.885 -4.047 17.170 1.00 0.00 H new ATOM 844 N GLY A 56 89.529 3.157 14.433 1.00 0.00 N ATOM 845 CA GLY A 56 89.694 4.604 14.518 1.00 0.00 C ATOM 846 C GLY A 56 88.418 5.340 14.123 1.00 0.00 C ATOM 847 O GLY A 56 88.022 6.306 14.776 1.00 0.00 O ATOM 0 H GLY A 56 89.803 2.749 13.539 1.00 0.00 H new ATOM 0 HA2 GLY A 56 89.973 4.880 15.535 1.00 0.00 H new ATOM 0 HA3 GLY A 56 90.511 4.916 13.867 1.00 0.00 H new ATOM 851 N ILE A 57 87.778 4.886 13.049 1.00 0.00 N ATOM 852 CA ILE A 57 86.549 5.520 12.577 1.00 0.00 C ATOM 853 C ILE A 57 85.542 4.471 12.125 1.00 0.00 C ATOM 854 O ILE A 57 85.800 3.271 12.207 1.00 0.00 O ATOM 855 CB ILE A 57 86.860 6.470 11.418 1.00 0.00 C ATOM 856 CG1 ILE A 57 87.403 5.673 10.218 1.00 0.00 C ATOM 857 CG2 ILE A 57 87.912 7.485 11.871 1.00 0.00 C ATOM 858 CD1 ILE A 57 86.250 5.209 9.314 1.00 0.00 C ATOM 0 H ILE A 57 88.086 4.088 12.493 1.00 0.00 H new ATOM 0 HA ILE A 57 86.117 6.087 13.402 1.00 0.00 H new ATOM 0 HB ILE A 57 85.948 6.988 11.120 1.00 0.00 H new ATOM 0 HG12 ILE A 57 88.095 6.291 9.646 1.00 0.00 H new ATOM 0 HG13 ILE A 57 87.966 4.809 10.572 1.00 0.00 H new ATOM 0 HG21 ILE A 57 88.139 8.165 11.050 1.00 0.00 H new ATOM 0 HG22 ILE A 57 87.528 8.054 12.718 1.00 0.00 H new ATOM 0 HG23 ILE A 57 88.820 6.960 12.168 1.00 0.00 H new ATOM 0 HD11 ILE A 57 86.652 4.647 8.471 1.00 0.00 H new ATOM 0 HD12 ILE A 57 85.574 4.573 9.885 1.00 0.00 H new ATOM 0 HD13 ILE A 57 85.705 6.078 8.944 1.00 0.00 H new ATOM 870 N THR A 58 84.389 4.937 11.648 1.00 0.00 N ATOM 871 CA THR A 58 83.338 4.035 11.184 1.00 0.00 C ATOM 872 C THR A 58 83.025 4.277 9.713 1.00 0.00 C ATOM 873 O THR A 58 82.984 5.420 9.258 1.00 0.00 O ATOM 874 CB THR A 58 82.071 4.250 12.016 1.00 0.00 C ATOM 875 OG1 THR A 58 82.334 3.913 13.371 1.00 0.00 O ATOM 876 CG2 THR A 58 80.949 3.365 11.475 1.00 0.00 C ATOM 0 H THR A 58 84.160 5.928 11.573 1.00 0.00 H new ATOM 0 HA THR A 58 83.689 3.010 11.301 1.00 0.00 H new ATOM 0 HB THR A 58 81.767 5.295 11.955 1.00 0.00 H new ATOM 0 HG1 THR A 58 81.524 4.052 13.906 1.00 0.00 H new ATOM 0 HG21 THR A 58 80.047 3.518 12.067 1.00 0.00 H new ATOM 0 HG22 THR A 58 80.749 3.626 10.436 1.00 0.00 H new ATOM 0 HG23 THR A 58 81.249 2.319 11.535 1.00 0.00 H new ATOM 884 N TRP A 59 82.791 3.195 8.975 1.00 0.00 N ATOM 885 CA TRP A 59 82.469 3.313 7.559 1.00 0.00 C ATOM 886 C TRP A 59 81.140 4.039 7.386 1.00 0.00 C ATOM 887 O TRP A 59 80.178 3.774 8.105 1.00 0.00 O ATOM 888 CB TRP A 59 82.379 1.933 6.904 1.00 0.00 C ATOM 889 CG TRP A 59 83.502 1.063 7.379 1.00 0.00 C ATOM 890 CD1 TRP A 59 84.785 1.463 7.515 1.00 0.00 C ATOM 891 CD2 TRP A 59 83.466 -0.342 7.775 1.00 0.00 C ATOM 892 NE1 TRP A 59 85.539 0.394 7.967 1.00 0.00 N ATOM 893 CE2 TRP A 59 84.770 -0.738 8.149 1.00 0.00 C ATOM 894 CE3 TRP A 59 82.442 -1.303 7.847 1.00 0.00 C ATOM 895 CZ2 TRP A 59 85.045 -2.037 8.583 1.00 0.00 C ATOM 896 CZ3 TRP A 59 82.717 -2.611 8.280 1.00 0.00 C ATOM 897 CH2 TRP A 59 84.015 -2.976 8.649 1.00 0.00 C ATOM 0 H TRP A 59 82.818 2.239 9.330 1.00 0.00 H new ATOM 0 HA TRP A 59 83.265 3.881 7.077 1.00 0.00 H new ATOM 0 HB2 TRP A 59 81.422 1.469 7.145 1.00 0.00 H new ATOM 0 HB3 TRP A 59 82.420 2.033 5.819 1.00 0.00 H new ATOM 0 HD1 TRP A 59 85.161 2.454 7.306 1.00 0.00 H new ATOM 0 HE1 TRP A 59 86.543 0.437 8.144 1.00 0.00 H new ATOM 0 HE3 TRP A 59 81.435 -1.033 7.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 86.050 -2.313 8.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 81.921 -3.339 8.328 1.00 0.00 H new ATOM 0 HH2 TRP A 59 84.220 -3.982 8.984 1.00 0.00 H new ATOM 908 N LYS A 60 81.099 4.954 6.429 1.00 0.00 N ATOM 909 CA LYS A 60 79.890 5.720 6.158 1.00 0.00 C ATOM 910 C LYS A 60 79.917 6.228 4.724 1.00 0.00 C ATOM 911 O LYS A 60 80.779 5.837 3.942 1.00 0.00 O ATOM 912 CB LYS A 60 79.787 6.903 7.125 1.00 0.00 C ATOM 913 CG LYS A 60 79.532 6.384 8.545 1.00 0.00 C ATOM 914 CD LYS A 60 79.059 7.534 9.441 1.00 0.00 C ATOM 915 CE LYS A 60 80.244 8.443 9.775 1.00 0.00 C ATOM 916 NZ LYS A 60 79.827 9.444 10.798 1.00 0.00 N1+ ATOM 0 H LYS A 60 81.889 5.185 5.826 1.00 0.00 H new ATOM 0 HA LYS A 60 79.023 5.075 6.297 1.00 0.00 H new ATOM 0 HB2 LYS A 60 80.707 7.488 7.100 1.00 0.00 H new ATOM 0 HB3 LYS A 60 78.979 7.567 6.819 1.00 0.00 H new ATOM 0 HG2 LYS A 60 78.781 5.595 8.524 1.00 0.00 H new ATOM 0 HG3 LYS A 60 80.444 5.946 8.951 1.00 0.00 H new ATOM 0 HD2 LYS A 60 78.280 8.105 8.936 1.00 0.00 H new ATOM 0 HD3 LYS A 60 78.621 7.138 10.357 1.00 0.00 H new ATOM 0 HE2 LYS A 60 81.078 7.849 10.150 1.00 0.00 H new ATOM 0 HE3 LYS A 60 80.593 8.950 8.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 80.631 10.063 11.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 79.044 10.017 10.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 79.514 8.951 11.659 1.00 0.00 H new ATOM 930 N GLU A 61 78.972 7.092 4.378 1.00 0.00 N ATOM 931 CA GLU A 61 78.913 7.629 3.025 1.00 0.00 C ATOM 932 C GLU A 61 80.090 8.565 2.760 1.00 0.00 C ATOM 933 O GLU A 61 80.877 8.343 1.840 1.00 0.00 O ATOM 934 CB GLU A 61 77.600 8.387 2.823 1.00 0.00 C ATOM 935 CG GLU A 61 77.477 8.819 1.362 1.00 0.00 C ATOM 936 CD GLU A 61 76.065 9.323 1.083 1.00 0.00 C ATOM 937 OE1 GLU A 61 75.194 9.069 1.901 1.00 0.00 O1- ATOM 938 OE2 GLU A 61 75.874 9.956 0.057 1.00 0.00 O ATOM 0 H GLU A 61 78.244 7.433 5.006 1.00 0.00 H new ATOM 0 HA GLU A 61 78.966 6.796 2.324 1.00 0.00 H new ATOM 0 HB2 GLU A 61 76.757 7.753 3.098 1.00 0.00 H new ATOM 0 HB3 GLU A 61 77.568 9.260 3.475 1.00 0.00 H new ATOM 0 HG2 GLU A 61 78.201 9.604 1.144 1.00 0.00 H new ATOM 0 HG3 GLU A 61 77.709 7.980 0.706 1.00 0.00 H new ATOM 945 N GLU A 62 80.207 9.610 3.573 1.00 0.00 N ATOM 946 CA GLU A 62 81.290 10.573 3.408 1.00 0.00 C ATOM 947 C GLU A 62 82.634 9.951 3.765 1.00 0.00 C ATOM 948 O GLU A 62 83.623 10.140 3.057 1.00 0.00 O ATOM 949 CB GLU A 62 81.040 11.796 4.293 1.00 0.00 C ATOM 950 CG GLU A 62 79.622 12.318 4.055 1.00 0.00 C ATOM 951 CD GLU A 62 79.467 13.704 4.671 1.00 0.00 C ATOM 952 OE1 GLU A 62 79.964 13.902 5.768 1.00 0.00 O1- ATOM 953 OE2 GLU A 62 78.854 14.548 4.038 1.00 0.00 O ATOM 0 H GLU A 62 79.572 9.811 4.346 1.00 0.00 H new ATOM 0 HA GLU A 62 81.317 10.877 2.362 1.00 0.00 H new ATOM 0 HB2 GLU A 62 81.170 11.531 5.342 1.00 0.00 H new ATOM 0 HB3 GLU A 62 81.768 12.575 4.068 1.00 0.00 H new ATOM 0 HG2 GLU A 62 79.416 12.361 2.985 1.00 0.00 H new ATOM 0 HG3 GLU A 62 78.895 11.633 4.492 1.00 0.00 H new ATOM 960 N THR A 63 82.670 9.205 4.862 1.00 0.00 N ATOM 961 CA THR A 63 83.909 8.565 5.285 1.00 0.00 C ATOM 962 C THR A 63 84.465 7.727 4.147 1.00 0.00 C ATOM 963 O THR A 63 85.679 7.660 3.943 1.00 0.00 O ATOM 964 CB THR A 63 83.663 7.672 6.503 1.00 0.00 C ATOM 965 OG1 THR A 63 82.756 6.639 6.156 1.00 0.00 O ATOM 966 CG2 THR A 63 83.079 8.504 7.641 1.00 0.00 C ATOM 0 H THR A 63 81.868 9.030 5.467 1.00 0.00 H new ATOM 0 HA THR A 63 84.626 9.340 5.556 1.00 0.00 H new ATOM 0 HB THR A 63 84.607 7.233 6.826 1.00 0.00 H new ATOM 0 HG1 THR A 63 83.235 5.930 5.678 1.00 0.00 H new ATOM 0 HG21 THR A 63 82.905 7.865 8.507 1.00 0.00 H new ATOM 0 HG22 THR A 63 83.779 9.296 7.909 1.00 0.00 H new ATOM 0 HG23 THR A 63 82.136 8.946 7.321 1.00 0.00 H new ATOM 974 N LEU A 64 83.568 7.095 3.402 1.00 0.00 N ATOM 975 CA LEU A 64 83.981 6.269 2.279 1.00 0.00 C ATOM 976 C LEU A 64 84.605 7.138 1.191 1.00 0.00 C ATOM 977 O LEU A 64 85.564 6.730 0.542 1.00 0.00 O ATOM 978 CB LEU A 64 82.781 5.497 1.709 1.00 0.00 C ATOM 979 CG LEU A 64 82.843 4.028 2.151 1.00 0.00 C ATOM 980 CD1 LEU A 64 81.563 3.303 1.710 1.00 0.00 C ATOM 981 CD2 LEU A 64 84.070 3.347 1.521 1.00 0.00 C ATOM 0 H LEU A 64 82.560 7.138 3.554 1.00 0.00 H new ATOM 0 HA LEU A 64 84.722 5.551 2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 64 81.851 5.950 2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 64 82.783 5.558 0.621 1.00 0.00 H new ATOM 0 HG LEU A 64 82.927 3.982 3.237 1.00 0.00 H new ATOM 0 HD11 LEU A 64 81.609 2.260 2.025 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.697 3.782 2.167 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.473 3.351 0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 64 84.110 2.305 1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 64 83.994 3.394 0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 64 84.976 3.859 1.844 1.00 0.00 H new ATOM 993 N MET A 65 84.058 8.337 0.997 1.00 0.00 N ATOM 994 CA MET A 65 84.588 9.241 -0.024 1.00 0.00 C ATOM 995 C MET A 65 86.075 9.494 0.197 1.00 0.00 C ATOM 996 O MET A 65 86.895 9.246 -0.686 1.00 0.00 O ATOM 997 CB MET A 65 83.847 10.578 0.006 1.00 0.00 C ATOM 998 CG MET A 65 82.362 10.348 -0.256 1.00 0.00 C ATOM 999 SD MET A 65 81.468 11.909 -0.058 1.00 0.00 S ATOM 1000 CE MET A 65 80.913 12.070 -1.771 1.00 0.00 C ATOM 0 H MET A 65 83.263 8.701 1.522 1.00 0.00 H new ATOM 0 HA MET A 65 84.443 8.766 -0.994 1.00 0.00 H new ATOM 0 HB2 MET A 65 83.985 11.060 0.974 1.00 0.00 H new ATOM 0 HB3 MET A 65 84.259 11.250 -0.746 1.00 0.00 H new ATOM 0 HG2 MET A 65 82.215 9.957 -1.263 1.00 0.00 H new ATOM 0 HG3 MET A 65 81.971 9.602 0.436 1.00 0.00 H new ATOM 0 HE1 MET A 65 80.315 12.975 -1.876 1.00 0.00 H new ATOM 0 HE2 MET A 65 81.779 12.129 -2.430 1.00 0.00 H new ATOM 0 HE3 MET A 65 80.310 11.203 -2.041 1.00 0.00 H new ATOM 1010 N GLU A 66 86.415 9.987 1.382 1.00 0.00 N ATOM 1011 CA GLU A 66 87.809 10.267 1.704 1.00 0.00 C ATOM 1012 C GLU A 66 88.636 8.993 1.593 1.00 0.00 C ATOM 1013 O GLU A 66 89.828 9.036 1.290 1.00 0.00 O ATOM 1014 CB GLU A 66 87.913 10.829 3.124 1.00 0.00 C ATOM 1015 CG GLU A 66 87.173 12.166 3.202 1.00 0.00 C ATOM 1016 CD GLU A 66 87.856 13.195 2.308 1.00 0.00 C ATOM 1017 OE1 GLU A 66 88.861 13.743 2.730 1.00 0.00 O1- ATOM 1018 OE2 GLU A 66 87.364 13.418 1.214 1.00 0.00 O ATOM 0 H GLU A 66 85.753 10.199 2.128 1.00 0.00 H new ATOM 0 HA GLU A 66 88.193 11.003 0.998 1.00 0.00 H new ATOM 0 HB2 GLU A 66 87.487 10.124 3.837 1.00 0.00 H new ATOM 0 HB3 GLU A 66 88.960 10.965 3.397 1.00 0.00 H new ATOM 0 HG2 GLU A 66 86.136 12.035 2.893 1.00 0.00 H new ATOM 0 HG3 GLU A 66 87.156 12.522 4.232 1.00 0.00 H new ATOM 1025 N TYR A 67 87.989 7.861 1.836 1.00 0.00 N ATOM 1026 CA TYR A 67 88.661 6.572 1.756 1.00 0.00 C ATOM 1027 C TYR A 67 88.820 6.143 0.301 1.00 0.00 C ATOM 1028 O TYR A 67 89.756 5.424 -0.046 1.00 0.00 O ATOM 1029 CB TYR A 67 87.845 5.525 2.518 1.00 0.00 C ATOM 1030 CG TYR A 67 88.450 4.154 2.332 1.00 0.00 C ATOM 1031 CD1 TYR A 67 89.464 3.714 3.191 1.00 0.00 C ATOM 1032 CD2 TYR A 67 87.990 3.319 1.306 1.00 0.00 C ATOM 1033 CE1 TYR A 67 90.019 2.440 3.023 1.00 0.00 C ATOM 1034 CE2 TYR A 67 88.547 2.045 1.138 1.00 0.00 C ATOM 1035 CZ TYR A 67 89.561 1.605 1.997 1.00 0.00 C ATOM 1036 OH TYR A 67 90.108 0.348 1.832 1.00 0.00 O ATOM 0 H TYR A 67 87.002 7.809 2.089 1.00 0.00 H new ATOM 0 HA TYR A 67 89.651 6.661 2.202 1.00 0.00 H new ATOM 0 HB2 TYR A 67 87.816 5.777 3.578 1.00 0.00 H new ATOM 0 HB3 TYR A 67 86.815 5.527 2.162 1.00 0.00 H new ATOM 0 HD1 TYR A 67 89.818 4.357 3.983 1.00 0.00 H new ATOM 0 HD2 TYR A 67 87.206 3.657 0.645 1.00 0.00 H new ATOM 0 HE1 TYR A 67 90.801 2.101 3.686 1.00 0.00 H new ATOM 0 HE2 TYR A 67 88.194 1.402 0.345 1.00 0.00 H new ATOM 0 HH TYR A 67 90.098 0.109 0.882 1.00 0.00 H new ATOM 1046 N LEU A 68 87.892 6.585 -0.540 1.00 0.00 N ATOM 1047 CA LEU A 68 87.922 6.234 -1.956 1.00 0.00 C ATOM 1048 C LEU A 68 88.973 7.048 -2.711 1.00 0.00 C ATOM 1049 O LEU A 68 89.459 6.618 -3.758 1.00 0.00 O ATOM 1050 CB LEU A 68 86.542 6.485 -2.586 1.00 0.00 C ATOM 1051 CG LEU A 68 85.578 5.327 -2.288 1.00 0.00 C ATOM 1052 CD1 LEU A 68 84.258 5.575 -3.013 1.00 0.00 C ATOM 1053 CD2 LEU A 68 86.153 3.997 -2.780 1.00 0.00 C ATOM 0 H LEU A 68 87.113 7.184 -0.268 1.00 0.00 H new ATOM 0 HA LEU A 68 88.182 5.178 -2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 68 86.127 7.416 -2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 68 86.648 6.606 -3.664 1.00 0.00 H new ATOM 0 HG LEU A 68 85.427 5.276 -1.210 1.00 0.00 H new ATOM 0 HD11 LEU A 68 83.569 4.756 -2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 68 83.823 6.512 -2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 68 84.438 5.634 -4.086 1.00 0.00 H new ATOM 0 HD21 LEU A 68 85.452 3.193 -2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 68 86.317 4.048 -3.856 1.00 0.00 H new ATOM 0 HD23 LEU A 68 87.100 3.802 -2.277 1.00 0.00 H new ATOM 1065 N GLU A 69 89.319 8.222 -2.191 1.00 0.00 N ATOM 1066 CA GLU A 69 90.310 9.074 -2.853 1.00 0.00 C ATOM 1067 C GLU A 69 91.694 8.860 -2.254 1.00 0.00 C ATOM 1068 O GLU A 69 92.685 9.408 -2.738 1.00 0.00 O ATOM 1069 CB GLU A 69 89.910 10.547 -2.728 1.00 0.00 C ATOM 1070 CG GLU A 69 90.253 11.067 -1.330 1.00 0.00 C ATOM 1071 CD GLU A 69 89.534 12.387 -1.076 1.00 0.00 C ATOM 1072 OE1 GLU A 69 89.042 12.966 -2.031 1.00 0.00 O ATOM 1073 OE2 GLU A 69 89.487 12.802 0.071 1.00 0.00 O1- ATOM 0 H GLU A 69 88.936 8.604 -1.326 1.00 0.00 H new ATOM 0 HA GLU A 69 90.343 8.801 -3.908 1.00 0.00 H new ATOM 0 HB2 GLU A 69 90.429 11.138 -3.482 1.00 0.00 H new ATOM 0 HB3 GLU A 69 88.842 10.659 -2.915 1.00 0.00 H new ATOM 0 HG2 GLU A 69 89.961 10.334 -0.578 1.00 0.00 H new ATOM 0 HG3 GLU A 69 91.330 11.206 -1.239 1.00 0.00 H new ATOM 1080 N ASN A 70 91.751 8.060 -1.202 1.00 0.00 N ATOM 1081 CA ASN A 70 93.018 7.774 -0.540 1.00 0.00 C ATOM 1082 C ASN A 70 92.838 6.691 0.520 1.00 0.00 C ATOM 1083 O ASN A 70 93.040 6.928 1.710 1.00 0.00 O ATOM 1084 CB ASN A 70 93.567 9.045 0.111 1.00 0.00 C ATOM 1085 CG ASN A 70 92.597 9.556 1.174 1.00 0.00 C ATOM 1086 OD1 ASN A 70 91.736 10.383 0.880 1.00 0.00 O ATOM 1087 ND2 ASN A 70 92.687 9.113 2.397 1.00 0.00 N ATOM 0 H ASN A 70 90.941 7.598 -0.788 1.00 0.00 H new ATOM 0 HA ASN A 70 93.725 7.417 -1.289 1.00 0.00 H new ATOM 0 HB2 ASN A 70 94.538 8.841 0.563 1.00 0.00 H new ATOM 0 HB3 ASN A 70 93.723 9.812 -0.647 1.00 0.00 H new ATOM 0 HD21 ASN A 70 92.043 9.453 3.111 1.00 0.00 H new ATOM 0 HD22 ASN A 70 93.402 8.427 2.640 1.00 0.00 H new ATOM 1094 N PRO A 71 92.465 5.513 0.105 1.00 0.00 N ATOM 1095 CA PRO A 71 92.249 4.366 1.030 1.00 0.00 C ATOM 1096 C PRO A 71 93.399 4.186 2.020 1.00 0.00 C ATOM 1097 O PRO A 71 93.188 3.792 3.168 1.00 0.00 O ATOM 1098 CB PRO A 71 92.157 3.158 0.092 1.00 0.00 C ATOM 1099 CG PRO A 71 91.701 3.706 -1.222 1.00 0.00 C ATOM 1100 CD PRO A 71 92.206 5.148 -1.298 1.00 0.00 C ATOM 0 HA PRO A 71 91.363 4.510 1.649 1.00 0.00 H new ATOM 0 HB2 PRO A 71 93.122 2.661 -0.004 1.00 0.00 H new ATOM 0 HB3 PRO A 71 91.454 2.418 0.474 1.00 0.00 H new ATOM 0 HG2 PRO A 71 92.097 3.114 -2.047 1.00 0.00 H new ATOM 0 HG3 PRO A 71 90.614 3.672 -1.299 1.00 0.00 H new ATOM 0 HD2 PRO A 71 93.110 5.222 -1.902 1.00 0.00 H new ATOM 0 HD3 PRO A 71 91.465 5.807 -1.751 1.00 0.00 H new ATOM 1108 N LYS A 72 94.614 4.456 1.559 1.00 0.00 N ATOM 1109 CA LYS A 72 95.797 4.298 2.398 1.00 0.00 C ATOM 1110 C LYS A 72 95.976 5.468 3.363 1.00 0.00 C ATOM 1111 O LYS A 72 96.224 5.268 4.552 1.00 0.00 O ATOM 1112 CB LYS A 72 97.039 4.184 1.512 1.00 0.00 C ATOM 1113 CG LYS A 72 98.268 3.837 2.372 1.00 0.00 C ATOM 1114 CD LYS A 72 98.800 2.449 1.993 1.00 0.00 C ATOM 1115 CE LYS A 72 97.833 1.370 2.486 1.00 0.00 C ATOM 1116 NZ LYS A 72 97.596 1.545 3.945 1.00 0.00 N1+ ATOM 0 H LYS A 72 94.807 4.784 0.613 1.00 0.00 H new ATOM 0 HA LYS A 72 95.663 3.392 2.989 1.00 0.00 H new ATOM 0 HB2 LYS A 72 96.886 3.416 0.754 1.00 0.00 H new ATOM 0 HB3 LYS A 72 97.207 5.123 0.984 1.00 0.00 H new ATOM 0 HG2 LYS A 72 99.047 4.586 2.227 1.00 0.00 H new ATOM 0 HG3 LYS A 72 98.000 3.857 3.428 1.00 0.00 H new ATOM 0 HD2 LYS A 72 98.918 2.378 0.912 1.00 0.00 H new ATOM 0 HD3 LYS A 72 99.786 2.295 2.432 1.00 0.00 H new ATOM 0 HE2 LYS A 72 96.890 1.436 1.943 1.00 0.00 H new ATOM 0 HE3 LYS A 72 98.245 0.380 2.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 97.251 0.652 4.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 98.485 1.816 4.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 96.886 2.290 4.094 1.00 0.00 H new ATOM 1130 N LYS A 73 95.874 6.687 2.846 1.00 0.00 N ATOM 1131 CA LYS A 73 96.055 7.871 3.678 1.00 0.00 C ATOM 1132 C LYS A 73 94.963 7.974 4.742 1.00 0.00 C ATOM 1133 O LYS A 73 95.169 8.586 5.791 1.00 0.00 O ATOM 1134 CB LYS A 73 96.047 9.134 2.808 1.00 0.00 C ATOM 1135 CG LYS A 73 96.888 10.229 3.474 1.00 0.00 C ATOM 1136 CD LYS A 73 96.640 11.572 2.771 1.00 0.00 C ATOM 1137 CE LYS A 73 95.435 12.277 3.401 1.00 0.00 C ATOM 1138 NZ LYS A 73 94.858 13.243 2.423 1.00 0.00 N1+ ATOM 0 H LYS A 73 95.669 6.881 1.866 1.00 0.00 H new ATOM 0 HA LYS A 73 97.018 7.781 4.182 1.00 0.00 H new ATOM 0 HB2 LYS A 73 96.445 8.908 1.819 1.00 0.00 H new ATOM 0 HB3 LYS A 73 95.024 9.483 2.667 1.00 0.00 H new ATOM 0 HG2 LYS A 73 96.630 10.307 4.530 1.00 0.00 H new ATOM 0 HG3 LYS A 73 97.946 9.970 3.423 1.00 0.00 H new ATOM 0 HD2 LYS A 73 97.525 12.203 2.852 1.00 0.00 H new ATOM 0 HD3 LYS A 73 96.462 11.408 1.708 1.00 0.00 H new ATOM 0 HE2 LYS A 73 94.682 11.544 3.692 1.00 0.00 H new ATOM 0 HE3 LYS A 73 95.739 12.799 4.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 94.040 13.722 2.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 95.577 13.949 2.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 94.554 12.733 1.569 1.00 0.00 H new ATOM 1152 N TYR A 74 93.804 7.384 4.470 1.00 0.00 N ATOM 1153 CA TYR A 74 92.700 7.436 5.425 1.00 0.00 C ATOM 1154 C TYR A 74 93.019 6.592 6.656 1.00 0.00 C ATOM 1155 O TYR A 74 93.020 7.097 7.779 1.00 0.00 O ATOM 1156 CB TYR A 74 91.407 6.937 4.764 1.00 0.00 C ATOM 1157 CG TYR A 74 90.214 7.627 5.393 1.00 0.00 C ATOM 1158 CD1 TYR A 74 90.071 9.016 5.280 1.00 0.00 C ATOM 1159 CD2 TYR A 74 89.256 6.879 6.088 1.00 0.00 C ATOM 1160 CE1 TYR A 74 88.970 9.655 5.864 1.00 0.00 C ATOM 1161 CE2 TYR A 74 88.155 7.521 6.671 1.00 0.00 C ATOM 1162 CZ TYR A 74 88.013 8.908 6.559 1.00 0.00 C ATOM 1163 OH TYR A 74 86.929 9.540 7.134 1.00 0.00 O ATOM 0 H TYR A 74 93.605 6.872 3.611 1.00 0.00 H new ATOM 0 HA TYR A 74 92.561 8.470 5.739 1.00 0.00 H new ATOM 0 HB2 TYR A 74 91.433 7.139 3.693 1.00 0.00 H new ATOM 0 HB3 TYR A 74 91.319 5.857 4.883 1.00 0.00 H new ATOM 0 HD1 TYR A 74 90.809 9.593 4.743 1.00 0.00 H new ATOM 0 HD2 TYR A 74 89.365 5.808 6.175 1.00 0.00 H new ATOM 0 HE1 TYR A 74 88.860 10.726 5.778 1.00 0.00 H new ATOM 0 HE2 TYR A 74 87.416 6.944 7.207 1.00 0.00 H new ATOM 0 HH TYR A 74 86.360 8.876 7.577 1.00 0.00 H new ATOM 1173 N ILE A 75 93.296 5.310 6.437 1.00 0.00 N ATOM 1174 CA ILE A 75 93.626 4.404 7.536 1.00 0.00 C ATOM 1175 C ILE A 75 94.932 3.672 7.236 1.00 0.00 C ATOM 1176 O ILE A 75 94.933 2.476 6.942 1.00 0.00 O ATOM 1177 CB ILE A 75 92.495 3.389 7.742 1.00 0.00 C ATOM 1178 CG1 ILE A 75 91.181 4.137 8.013 1.00 0.00 C ATOM 1179 CG2 ILE A 75 92.822 2.486 8.939 1.00 0.00 C ATOM 1180 CD1 ILE A 75 89.991 3.227 7.697 1.00 0.00 C ATOM 0 H ILE A 75 93.299 4.875 5.514 1.00 0.00 H new ATOM 0 HA ILE A 75 93.747 4.989 8.448 1.00 0.00 H new ATOM 0 HB ILE A 75 92.391 2.778 6.845 1.00 0.00 H new ATOM 0 HG12 ILE A 75 91.141 4.455 9.055 1.00 0.00 H new ATOM 0 HG13 ILE A 75 91.133 5.039 7.403 1.00 0.00 H new ATOM 0 HG21 ILE A 75 92.016 1.766 9.082 1.00 0.00 H new ATOM 0 HG22 ILE A 75 93.754 1.954 8.750 1.00 0.00 H new ATOM 0 HG23 ILE A 75 92.928 3.096 9.836 1.00 0.00 H new ATOM 0 HD11 ILE A 75 89.062 3.763 7.891 1.00 0.00 H new ATOM 0 HD12 ILE A 75 90.027 2.931 6.648 1.00 0.00 H new ATOM 0 HD13 ILE A 75 90.036 2.338 8.326 1.00 0.00 H new ATOM 1192 N PRO A 76 96.039 4.372 7.298 1.00 0.00 N ATOM 1193 CA PRO A 76 97.382 3.786 7.021 1.00 0.00 C ATOM 1194 C PRO A 76 97.550 2.408 7.651 1.00 0.00 C ATOM 1195 O PRO A 76 97.278 2.221 8.834 1.00 0.00 O ATOM 1196 CB PRO A 76 98.343 4.801 7.642 1.00 0.00 C ATOM 1197 CG PRO A 76 97.630 6.111 7.553 1.00 0.00 C ATOM 1198 CD PRO A 76 96.129 5.802 7.638 1.00 0.00 C ATOM 0 HA PRO A 76 97.554 3.624 5.957 1.00 0.00 H new ATOM 0 HB2 PRO A 76 98.573 4.546 8.677 1.00 0.00 H new ATOM 0 HB3 PRO A 76 99.290 4.829 7.103 1.00 0.00 H new ATOM 0 HG2 PRO A 76 97.935 6.774 8.363 1.00 0.00 H new ATOM 0 HG3 PRO A 76 97.868 6.619 6.618 1.00 0.00 H new ATOM 0 HD2 PRO A 76 95.737 6.000 8.635 1.00 0.00 H new ATOM 0 HD3 PRO A 76 95.556 6.414 6.942 1.00 0.00 H new ATOM 1206 N GLY A 77 97.995 1.448 6.846 1.00 0.00 N ATOM 1207 CA GLY A 77 98.192 0.081 7.323 1.00 0.00 C ATOM 1208 C GLY A 77 97.278 -0.881 6.574 1.00 0.00 C ATOM 1209 O GLY A 77 97.638 -2.031 6.328 1.00 0.00 O ATOM 0 H GLY A 77 98.226 1.590 5.863 1.00 0.00 H new ATOM 0 HA2 GLY A 77 99.232 -0.213 7.183 1.00 0.00 H new ATOM 0 HA3 GLY A 77 97.987 0.029 8.392 1.00 0.00 H new ATOM 1213 N THR A 78 96.096 -0.395 6.207 1.00 0.00 N ATOM 1214 CA THR A 78 95.132 -1.214 5.478 1.00 0.00 C ATOM 1215 C THR A 78 95.758 -1.771 4.205 1.00 0.00 C ATOM 1216 O THR A 78 96.551 -1.097 3.548 1.00 0.00 O ATOM 1217 CB THR A 78 93.911 -0.372 5.114 1.00 0.00 C ATOM 1218 OG1 THR A 78 92.898 -1.214 4.581 1.00 0.00 O ATOM 1219 CG2 THR A 78 94.312 0.671 4.072 1.00 0.00 C ATOM 0 H THR A 78 95.783 0.556 6.401 1.00 0.00 H new ATOM 0 HA THR A 78 94.830 -2.044 6.116 1.00 0.00 H new ATOM 0 HB THR A 78 93.531 0.130 6.004 1.00 0.00 H new ATOM 0 HG1 THR A 78 92.113 -0.675 4.349 1.00 0.00 H new ATOM 0 HG21 THR A 78 93.444 1.275 3.809 1.00 0.00 H new ATOM 0 HG22 THR A 78 95.090 1.314 4.482 1.00 0.00 H new ATOM 0 HG23 THR A 78 94.688 0.169 3.181 1.00 0.00 H new ATOM 1227 N LYS A 79 95.397 -3.003 3.854 1.00 0.00 N ATOM 1228 CA LYS A 79 95.940 -3.621 2.645 1.00 0.00 C ATOM 1229 C LYS A 79 95.029 -3.358 1.448 1.00 0.00 C ATOM 1230 O LYS A 79 94.110 -4.128 1.170 1.00 0.00 O ATOM 1231 CB LYS A 79 96.103 -5.132 2.846 1.00 0.00 C ATOM 1232 CG LYS A 79 97.296 -5.407 3.771 1.00 0.00 C ATOM 1233 CD LYS A 79 98.574 -5.548 2.940 1.00 0.00 C ATOM 1234 CE LYS A 79 99.785 -5.606 3.873 1.00 0.00 C ATOM 1235 NZ LYS A 79 99.896 -4.323 4.623 1.00 0.00 N1+ ATOM 0 H LYS A 79 94.743 -3.585 4.378 1.00 0.00 H new ATOM 0 HA LYS A 79 96.916 -3.178 2.448 1.00 0.00 H new ATOM 0 HB2 LYS A 79 95.193 -5.551 3.276 1.00 0.00 H new ATOM 0 HB3 LYS A 79 96.256 -5.622 1.884 1.00 0.00 H new ATOM 0 HG2 LYS A 79 97.406 -4.595 4.489 1.00 0.00 H new ATOM 0 HG3 LYS A 79 97.121 -6.318 4.344 1.00 0.00 H new ATOM 0 HD2 LYS A 79 98.527 -6.451 2.331 1.00 0.00 H new ATOM 0 HD3 LYS A 79 98.670 -4.706 2.254 1.00 0.00 H new ATOM 0 HE2 LYS A 79 99.682 -6.439 4.569 1.00 0.00 H new ATOM 0 HE3 LYS A 79 100.693 -5.783 3.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 100.877 -4.192 4.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 99.625 -3.534 4.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 99.263 -4.347 5.448 1.00 0.00 H new ATOM 1249 N MET A 80 95.304 -2.269 0.737 1.00 0.00 N ATOM 1250 CA MET A 80 94.519 -1.906 -0.441 1.00 0.00 C ATOM 1251 C MET A 80 95.167 -0.726 -1.160 1.00 0.00 C ATOM 1252 O MET A 80 94.946 0.430 -0.801 1.00 0.00 O ATOM 1253 CB MET A 80 93.085 -1.538 -0.041 1.00 0.00 C ATOM 1254 CG MET A 80 92.358 -0.934 -1.248 1.00 0.00 C ATOM 1255 SD MET A 80 90.568 -0.937 -0.957 1.00 0.00 S ATOM 1256 CE MET A 80 90.188 0.570 -1.884 1.00 0.00 C ATOM 0 H MET A 80 96.063 -1.623 0.954 1.00 0.00 H new ATOM 0 HA MET A 80 94.489 -2.766 -1.111 1.00 0.00 H new ATOM 0 HB2 MET A 80 92.555 -2.423 0.311 1.00 0.00 H new ATOM 0 HB3 MET A 80 93.097 -0.825 0.784 1.00 0.00 H new ATOM 0 HG2 MET A 80 92.705 0.085 -1.420 1.00 0.00 H new ATOM 0 HG3 MET A 80 92.590 -1.506 -2.147 1.00 0.00 H new ATOM 0 HE1 MET A 80 89.252 0.437 -2.426 1.00 0.00 H new ATOM 0 HE2 MET A 80 90.092 1.408 -1.193 1.00 0.00 H new ATOM 0 HE3 MET A 80 90.991 0.774 -2.592 1.00 0.00 H new ATOM 1266 N ILE A 81 95.968 -1.028 -2.178 1.00 0.00 N ATOM 1267 CA ILE A 81 96.647 0.012 -2.945 1.00 0.00 C ATOM 1268 C ILE A 81 96.499 -0.244 -4.442 1.00 0.00 C ATOM 1269 O ILE A 81 97.405 -0.776 -5.082 1.00 0.00 O ATOM 1270 CB ILE A 81 98.134 0.048 -2.578 1.00 0.00 C ATOM 1271 CG1 ILE A 81 98.287 0.232 -1.059 1.00 0.00 C ATOM 1272 CG2 ILE A 81 98.805 1.215 -3.305 1.00 0.00 C ATOM 1273 CD1 ILE A 81 98.293 -1.133 -0.357 1.00 0.00 C ATOM 0 H ILE A 81 96.162 -1.980 -2.490 1.00 0.00 H new ATOM 0 HA ILE A 81 96.190 0.971 -2.703 1.00 0.00 H new ATOM 0 HB ILE A 81 98.606 -0.889 -2.876 1.00 0.00 H new ATOM 0 HG12 ILE A 81 99.213 0.765 -0.841 1.00 0.00 H new ATOM 0 HG13 ILE A 81 97.470 0.843 -0.675 1.00 0.00 H new ATOM 0 HG21 ILE A 81 99.864 1.244 -3.047 1.00 0.00 H new ATOM 0 HG22 ILE A 81 98.698 1.083 -4.382 1.00 0.00 H new ATOM 0 HG23 ILE A 81 98.332 2.150 -3.005 1.00 0.00 H new ATOM 0 HD11 ILE A 81 98.402 -0.989 0.718 1.00 0.00 H new ATOM 0 HD12 ILE A 81 97.356 -1.651 -0.561 1.00 0.00 H new ATOM 0 HD13 ILE A 81 99.126 -1.730 -0.729 1.00 0.00 H new ATOM 1285 N PHE A 82 95.349 0.140 -4.992 1.00 0.00 N ATOM 1286 CA PHE A 82 95.085 -0.050 -6.417 1.00 0.00 C ATOM 1287 C PHE A 82 95.021 1.298 -7.131 1.00 0.00 C ATOM 1288 O PHE A 82 96.005 1.745 -7.721 1.00 0.00 O ATOM 1289 CB PHE A 82 93.762 -0.800 -6.607 1.00 0.00 C ATOM 1290 CG PHE A 82 93.362 -0.769 -8.066 1.00 0.00 C ATOM 1291 CD1 PHE A 82 94.211 -1.317 -9.036 1.00 0.00 C ATOM 1292 CD2 PHE A 82 92.144 -0.193 -8.449 1.00 0.00 C ATOM 1293 CE1 PHE A 82 93.842 -1.288 -10.387 1.00 0.00 C ATOM 1294 CE2 PHE A 82 91.776 -0.164 -9.799 1.00 0.00 C ATOM 1295 CZ PHE A 82 92.625 -0.712 -10.768 1.00 0.00 C ATOM 0 H PHE A 82 94.588 0.582 -4.476 1.00 0.00 H new ATOM 0 HA PHE A 82 95.897 -0.637 -6.847 1.00 0.00 H new ATOM 0 HB2 PHE A 82 93.866 -1.832 -6.271 1.00 0.00 H new ATOM 0 HB3 PHE A 82 92.983 -0.343 -5.997 1.00 0.00 H new ATOM 0 HD1 PHE A 82 95.150 -1.762 -8.742 1.00 0.00 H new ATOM 0 HD2 PHE A 82 91.488 0.229 -7.702 1.00 0.00 H new ATOM 0 HE1 PHE A 82 94.497 -1.710 -11.135 1.00 0.00 H new ATOM 0 HE2 PHE A 82 90.837 0.281 -10.093 1.00 0.00 H new ATOM 0 HZ PHE A 82 92.341 -0.690 -11.810 1.00 0.00 H new ATOM 1305 N ALA A 83 93.858 1.939 -7.074 1.00 0.00 N ATOM 1306 CA ALA A 83 93.679 3.234 -7.720 1.00 0.00 C ATOM 1307 C ALA A 83 92.499 3.981 -7.106 1.00 0.00 C ATOM 1308 O ALA A 83 91.345 3.595 -7.291 1.00 0.00 O ATOM 1309 CB ALA A 83 93.437 3.039 -9.219 1.00 0.00 C ATOM 0 H ALA A 83 93.032 1.586 -6.591 1.00 0.00 H new ATOM 0 HA ALA A 83 94.584 3.822 -7.570 1.00 0.00 H new ATOM 0 HB1 ALA A 83 93.304 4.010 -9.695 1.00 0.00 H new ATOM 0 HB2 ALA A 83 94.293 2.531 -9.663 1.00 0.00 H new ATOM 0 HB3 ALA A 83 92.541 2.436 -9.368 1.00 0.00 H new ATOM 1315 N GLY A 84 92.797 5.050 -6.377 1.00 0.00 N ATOM 1316 CA GLY A 84 91.752 5.844 -5.740 1.00 0.00 C ATOM 1317 C GLY A 84 90.851 6.495 -6.784 1.00 0.00 C ATOM 1318 O GLY A 84 91.049 6.318 -7.986 1.00 0.00 O ATOM 0 H GLY A 84 93.746 5.386 -6.213 1.00 0.00 H new ATOM 0 HA2 GLY A 84 91.156 5.209 -5.084 1.00 0.00 H new ATOM 0 HA3 GLY A 84 92.205 6.613 -5.114 1.00 0.00 H new ATOM 1322 N ILE A 85 89.861 7.251 -6.317 1.00 0.00 N ATOM 1323 CA ILE A 85 88.933 7.927 -7.221 1.00 0.00 C ATOM 1324 C ILE A 85 89.404 9.356 -7.489 1.00 0.00 C ATOM 1325 O ILE A 85 90.175 9.919 -6.713 1.00 0.00 O ATOM 1326 CB ILE A 85 87.533 7.943 -6.604 1.00 0.00 C ATOM 1327 CG1 ILE A 85 86.966 6.511 -6.568 1.00 0.00 C ATOM 1328 CG2 ILE A 85 86.609 8.844 -7.426 1.00 0.00 C ATOM 1329 CD1 ILE A 85 86.304 6.158 -7.907 1.00 0.00 C ATOM 0 H ILE A 85 89.681 7.411 -5.326 1.00 0.00 H new ATOM 0 HA ILE A 85 88.901 7.387 -8.167 1.00 0.00 H new ATOM 0 HB ILE A 85 87.596 8.332 -5.588 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.766 5.803 -6.354 1.00 0.00 H new ATOM 0 HG13 ILE A 85 86.238 6.423 -5.762 1.00 0.00 H new ATOM 0 HG21 ILE A 85 85.615 8.849 -6.980 1.00 0.00 H new ATOM 0 HG22 ILE A 85 87.007 9.859 -7.438 1.00 0.00 H new ATOM 0 HG23 ILE A 85 86.546 8.467 -8.447 1.00 0.00 H new ATOM 0 HD11 ILE A 85 85.910 5.143 -7.862 1.00 0.00 H new ATOM 0 HD12 ILE A 85 85.490 6.855 -8.105 1.00 0.00 H new ATOM 0 HD13 ILE A 85 87.042 6.225 -8.707 1.00 0.00 H new ATOM 1341 N LYS A 86 88.952 9.930 -8.603 1.00 0.00 N ATOM 1342 CA LYS A 86 89.351 11.287 -8.973 1.00 0.00 C ATOM 1343 C LYS A 86 88.282 12.314 -8.600 1.00 0.00 C ATOM 1344 O LYS A 86 88.487 13.137 -7.709 1.00 0.00 O ATOM 1345 CB LYS A 86 89.612 11.353 -10.482 1.00 0.00 C ATOM 1346 CG LYS A 86 90.988 10.752 -10.801 1.00 0.00 C ATOM 1347 CD LYS A 86 92.058 11.846 -10.731 1.00 0.00 C ATOM 1348 CE LYS A 86 93.446 11.205 -10.738 1.00 0.00 C ATOM 1349 NZ LYS A 86 94.482 12.271 -10.834 1.00 0.00 N1+ ATOM 0 H LYS A 86 88.314 9.481 -9.260 1.00 0.00 H new ATOM 0 HA LYS A 86 90.259 11.529 -8.421 1.00 0.00 H new ATOM 0 HB2 LYS A 86 88.835 10.809 -11.018 1.00 0.00 H new ATOM 0 HB3 LYS A 86 89.570 12.388 -10.822 1.00 0.00 H new ATOM 0 HG2 LYS A 86 91.221 9.956 -10.093 1.00 0.00 H new ATOM 0 HG3 LYS A 86 90.978 10.303 -11.794 1.00 0.00 H new ATOM 0 HD2 LYS A 86 91.955 12.524 -11.578 1.00 0.00 H new ATOM 0 HD3 LYS A 86 91.926 12.441 -9.828 1.00 0.00 H new ATOM 0 HE2 LYS A 86 93.593 10.620 -9.830 1.00 0.00 H new ATOM 0 HE3 LYS A 86 93.537 10.517 -11.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 95.427 11.837 -10.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 94.344 12.811 -11.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 94.399 12.910 -10.018 1.00 0.00 H new ATOM 1363 N LYS A 87 87.152 12.277 -9.303 1.00 0.00 N ATOM 1364 CA LYS A 87 86.074 13.230 -9.049 1.00 0.00 C ATOM 1365 C LYS A 87 85.207 12.790 -7.873 1.00 0.00 C ATOM 1366 O LYS A 87 85.230 11.630 -7.463 1.00 0.00 O ATOM 1367 CB LYS A 87 85.202 13.378 -10.298 1.00 0.00 C ATOM 1368 CG LYS A 87 86.095 13.441 -11.539 1.00 0.00 C ATOM 1369 CD LYS A 87 85.248 13.794 -12.764 1.00 0.00 C ATOM 1370 CE LYS A 87 86.126 13.768 -14.017 1.00 0.00 C ATOM 1371 NZ LYS A 87 86.395 12.355 -14.406 1.00 0.00 N1+ ATOM 0 H LYS A 87 86.960 11.605 -10.046 1.00 0.00 H new ATOM 0 HA LYS A 87 86.529 14.189 -8.800 1.00 0.00 H new ATOM 0 HB2 LYS A 87 84.513 12.537 -10.375 1.00 0.00 H new ATOM 0 HB3 LYS A 87 84.596 14.281 -10.227 1.00 0.00 H new ATOM 0 HG2 LYS A 87 86.878 14.186 -11.399 1.00 0.00 H new ATOM 0 HG3 LYS A 87 86.591 12.483 -11.691 1.00 0.00 H new ATOM 0 HD2 LYS A 87 84.427 13.085 -12.868 1.00 0.00 H new ATOM 0 HD3 LYS A 87 84.803 14.781 -12.639 1.00 0.00 H new ATOM 0 HE2 LYS A 87 85.629 14.293 -14.833 1.00 0.00 H new ATOM 0 HE3 LYS A 87 87.064 14.289 -13.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 86.813 12.331 -15.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 87.056 11.928 -13.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 85.504 11.819 -14.406 1.00 0.00 H new ATOM 1385 N LYS A 88 84.437 13.731 -7.335 1.00 0.00 N ATOM 1386 CA LYS A 88 83.561 13.432 -6.210 1.00 0.00 C ATOM 1387 C LYS A 88 82.401 12.555 -6.663 1.00 0.00 C ATOM 1388 O LYS A 88 82.142 11.508 -6.075 1.00 0.00 O ATOM 1389 CB LYS A 88 83.018 14.726 -5.604 1.00 0.00 C ATOM 1390 CG LYS A 88 82.373 14.421 -4.248 1.00 0.00 C ATOM 1391 CD LYS A 88 81.538 15.623 -3.787 1.00 0.00 C ATOM 1392 CE LYS A 88 80.112 15.504 -4.333 1.00 0.00 C ATOM 1393 NZ LYS A 88 79.337 16.722 -3.963 1.00 0.00 N1+ ATOM 0 H LYS A 88 84.402 14.698 -7.657 1.00 0.00 H new ATOM 0 HA LYS A 88 84.139 12.898 -5.455 1.00 0.00 H new ATOM 0 HB2 LYS A 88 83.824 15.449 -5.481 1.00 0.00 H new ATOM 0 HB3 LYS A 88 82.286 15.175 -6.275 1.00 0.00 H new ATOM 0 HG2 LYS A 88 81.741 13.536 -4.326 1.00 0.00 H new ATOM 0 HG3 LYS A 88 83.144 14.198 -3.510 1.00 0.00 H new ATOM 0 HD2 LYS A 88 81.518 15.667 -2.698 1.00 0.00 H new ATOM 0 HD3 LYS A 88 81.994 16.550 -4.135 1.00 0.00 H new ATOM 0 HE2 LYS A 88 80.134 15.389 -5.417 1.00 0.00 H new ATOM 0 HE3 LYS A 88 79.629 14.615 -3.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 78.368 16.643 -4.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 79.306 16.812 -2.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 79.795 17.562 -4.370 1.00 0.00 H new ATOM 1407 N THR A 89 81.707 12.984 -7.714 1.00 0.00 N ATOM 1408 CA THR A 89 80.580 12.216 -8.226 1.00 0.00 C ATOM 1409 C THR A 89 80.987 10.767 -8.442 1.00 0.00 C ATOM 1410 O THR A 89 80.160 9.862 -8.351 1.00 0.00 O ATOM 1411 CB THR A 89 80.080 12.805 -9.543 1.00 0.00 C ATOM 1412 OG1 THR A 89 81.164 12.907 -10.457 1.00 0.00 O ATOM 1413 CG2 THR A 89 79.483 14.191 -9.294 1.00 0.00 C ATOM 0 H THR A 89 81.903 13.847 -8.221 1.00 0.00 H new ATOM 0 HA THR A 89 79.776 12.261 -7.491 1.00 0.00 H new ATOM 0 HB THR A 89 79.312 12.155 -9.963 1.00 0.00 H new ATOM 0 HG1 THR A 89 80.844 13.283 -11.303 1.00 0.00 H new ATOM 0 HG21 THR A 89 79.127 14.608 -10.236 1.00 0.00 H new ATOM 0 HG22 THR A 89 78.650 14.108 -8.596 1.00 0.00 H new ATOM 0 HG23 THR A 89 80.246 14.845 -8.872 1.00 0.00 H new ATOM 1421 N GLU A 90 82.267 10.549 -8.715 1.00 0.00 N ATOM 1422 CA GLU A 90 82.757 9.195 -8.920 1.00 0.00 C ATOM 1423 C GLU A 90 82.670 8.434 -7.604 1.00 0.00 C ATOM 1424 O GLU A 90 82.345 7.248 -7.579 1.00 0.00 O ATOM 1425 CB GLU A 90 84.205 9.220 -9.417 1.00 0.00 C ATOM 1426 CG GLU A 90 84.236 9.572 -10.906 1.00 0.00 C ATOM 1427 CD GLU A 90 85.677 9.761 -11.366 1.00 0.00 C ATOM 1428 OE1 GLU A 90 86.507 10.084 -10.531 1.00 0.00 O1- ATOM 1429 OE2 GLU A 90 85.930 9.581 -12.545 1.00 0.00 O ATOM 0 H GLU A 90 82.974 11.280 -8.798 1.00 0.00 H new ATOM 0 HA GLU A 90 82.146 8.699 -9.674 1.00 0.00 H new ATOM 0 HB2 GLU A 90 84.781 9.950 -8.849 1.00 0.00 H new ATOM 0 HB3 GLU A 90 84.672 8.249 -9.254 1.00 0.00 H new ATOM 0 HG2 GLU A 90 83.761 8.780 -11.485 1.00 0.00 H new ATOM 0 HG3 GLU A 90 83.666 10.484 -11.085 1.00 0.00 H new ATOM 1436 N ARG A 91 82.946 9.138 -6.509 1.00 0.00 N ATOM 1437 CA ARG A 91 82.880 8.531 -5.185 1.00 0.00 C ATOM 1438 C ARG A 91 81.429 8.404 -4.739 1.00 0.00 C ATOM 1439 O ARG A 91 81.014 7.357 -4.250 1.00 0.00 O ATOM 1440 CB ARG A 91 83.641 9.385 -4.168 1.00 0.00 C ATOM 1441 CG ARG A 91 85.095 9.543 -4.615 1.00 0.00 C ATOM 1442 CD ARG A 91 85.909 10.235 -3.513 1.00 0.00 C ATOM 1443 NE ARG A 91 86.235 11.601 -3.910 1.00 0.00 N ATOM 1444 CZ ARG A 91 86.646 12.499 -3.018 1.00 0.00 C ATOM 1445 NH1 ARG A 91 86.776 12.161 -1.764 1.00 0.00 N ATOM 1446 NH2 ARG A 91 86.921 13.716 -3.398 1.00 0.00 N1+ ATOM 0 H ARG A 91 83.215 10.122 -6.513 1.00 0.00 H new ATOM 0 HA ARG A 91 83.335 7.542 -5.240 1.00 0.00 H new ATOM 0 HB2 ARG A 91 83.170 10.364 -4.075 1.00 0.00 H new ATOM 0 HB3 ARG A 91 83.601 8.918 -3.184 1.00 0.00 H new ATOM 0 HG2 ARG A 91 85.524 8.566 -4.837 1.00 0.00 H new ATOM 0 HG3 ARG A 91 85.140 10.127 -5.534 1.00 0.00 H new ATOM 0 HD2 ARG A 91 85.341 10.245 -2.583 1.00 0.00 H new ATOM 0 HD3 ARG A 91 86.825 9.676 -3.322 1.00 0.00 H new ATOM 0 HE ARG A 91 86.146 11.872 -4.889 1.00 0.00 H new ATOM 0 HH11 ARG A 91 86.563 11.209 -1.468 1.00 0.00 H new ATOM 0 HH12 ARG A 91 87.091 12.849 -1.080 1.00 0.00 H new ATOM 0 HH21 ARG A 91 86.821 13.979 -4.378 1.00 0.00 H new ATOM 0 HH22 ARG A 91 87.236 14.405 -2.715 1.00 0.00 H new ATOM 1460 N GLU A 92 80.662 9.477 -4.909 1.00 0.00 N ATOM 1461 CA GLU A 92 79.258 9.464 -4.519 1.00 0.00 C ATOM 1462 C GLU A 92 78.514 8.382 -5.292 1.00 0.00 C ATOM 1463 O GLU A 92 77.856 7.529 -4.701 1.00 0.00 O ATOM 1464 CB GLU A 92 78.621 10.827 -4.800 1.00 0.00 C ATOM 1465 CG GLU A 92 77.277 10.925 -4.077 1.00 0.00 C ATOM 1466 CD GLU A 92 77.499 11.026 -2.572 1.00 0.00 C ATOM 1467 OE1 GLU A 92 77.807 12.113 -2.110 1.00 0.00 O1- ATOM 1468 OE2 GLU A 92 77.357 10.016 -1.902 1.00 0.00 O ATOM 0 H GLU A 92 80.986 10.357 -5.310 1.00 0.00 H new ATOM 0 HA GLU A 92 79.192 9.253 -3.452 1.00 0.00 H new ATOM 0 HB2 GLU A 92 79.284 11.625 -4.466 1.00 0.00 H new ATOM 0 HB3 GLU A 92 78.479 10.959 -5.873 1.00 0.00 H new ATOM 0 HG2 GLU A 92 76.727 11.797 -4.431 1.00 0.00 H new ATOM 0 HG3 GLU A 92 76.668 10.050 -4.305 1.00 0.00 H new ATOM 1475 N ASP A 93 78.635 8.418 -6.616 1.00 0.00 N ATOM 1476 CA ASP A 93 77.980 7.423 -7.457 1.00 0.00 C ATOM 1477 C ASP A 93 78.475 6.026 -7.098 1.00 0.00 C ATOM 1478 O ASP A 93 77.680 5.112 -6.879 1.00 0.00 O ATOM 1479 CB ASP A 93 78.273 7.711 -8.930 1.00 0.00 C ATOM 1480 CG ASP A 93 77.618 9.024 -9.343 1.00 0.00 C ATOM 1481 OD1 ASP A 93 76.948 9.615 -8.513 1.00 0.00 O ATOM 1482 OD2 ASP A 93 77.798 9.420 -10.483 1.00 0.00 O1- ATOM 0 H ASP A 93 79.175 9.118 -7.125 1.00 0.00 H new ATOM 0 HA ASP A 93 76.904 7.474 -7.289 1.00 0.00 H new ATOM 0 HB2 ASP A 93 79.350 7.765 -9.092 1.00 0.00 H new ATOM 0 HB3 ASP A 93 77.898 6.897 -9.550 1.00 0.00 H new ATOM 1487 N LEU A 94 79.795 5.873 -7.030 1.00 0.00 N ATOM 1488 CA LEU A 94 80.392 4.587 -6.685 1.00 0.00 C ATOM 1489 C LEU A 94 79.894 4.130 -5.324 1.00 0.00 C ATOM 1490 O LEU A 94 79.653 2.944 -5.099 1.00 0.00 O ATOM 1491 CB LEU A 94 81.917 4.717 -6.637 1.00 0.00 C ATOM 1492 CG LEU A 94 82.545 3.412 -6.138 1.00 0.00 C ATOM 1493 CD1 LEU A 94 82.046 2.246 -6.991 1.00 0.00 C ATOM 1494 CD2 LEU A 94 84.073 3.509 -6.235 1.00 0.00 C ATOM 0 H LEU A 94 80.468 6.619 -7.208 1.00 0.00 H new ATOM 0 HA LEU A 94 80.108 3.857 -7.443 1.00 0.00 H new ATOM 0 HB2 LEU A 94 82.300 4.957 -7.629 1.00 0.00 H new ATOM 0 HB3 LEU A 94 82.198 5.539 -5.979 1.00 0.00 H new ATOM 0 HG LEU A 94 82.260 3.245 -5.099 1.00 0.00 H new ATOM 0 HD11 LEU A 94 82.493 1.318 -6.636 1.00 0.00 H new ATOM 0 HD12 LEU A 94 80.961 2.178 -6.915 1.00 0.00 H new ATOM 0 HD13 LEU A 94 82.328 2.409 -8.031 1.00 0.00 H new ATOM 0 HD21 LEU A 94 84.520 2.580 -5.880 1.00 0.00 H new ATOM 0 HD22 LEU A 94 84.362 3.677 -7.273 1.00 0.00 H new ATOM 0 HD23 LEU A 94 84.425 4.339 -5.622 1.00 0.00 H new ATOM 1506 N ILE A 95 79.756 5.084 -4.417 1.00 0.00 N ATOM 1507 CA ILE A 95 79.302 4.779 -3.074 1.00 0.00 C ATOM 1508 C ILE A 95 77.800 4.532 -3.065 1.00 0.00 C ATOM 1509 O ILE A 95 77.286 3.793 -2.226 1.00 0.00 O ATOM 1510 CB ILE A 95 79.659 5.927 -2.128 1.00 0.00 C ATOM 1511 CG1 ILE A 95 81.172 5.892 -1.874 1.00 0.00 C ATOM 1512 CG2 ILE A 95 78.896 5.763 -0.806 1.00 0.00 C ATOM 1513 CD1 ILE A 95 81.652 7.243 -1.345 1.00 0.00 C ATOM 0 H ILE A 95 79.951 6.071 -4.587 1.00 0.00 H new ATOM 0 HA ILE A 95 79.802 3.873 -2.731 1.00 0.00 H new ATOM 0 HB ILE A 95 79.381 6.883 -2.572 1.00 0.00 H new ATOM 0 HG12 ILE A 95 81.409 5.107 -1.155 1.00 0.00 H new ATOM 0 HG13 ILE A 95 81.697 5.648 -2.797 1.00 0.00 H new ATOM 0 HG21 ILE A 95 79.152 6.582 -0.134 1.00 0.00 H new ATOM 0 HG22 ILE A 95 77.824 5.775 -1.001 1.00 0.00 H new ATOM 0 HG23 ILE A 95 79.170 4.815 -0.343 1.00 0.00 H new ATOM 0 HD11 ILE A 95 82.727 7.204 -1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 95 81.432 8.020 -2.078 1.00 0.00 H new ATOM 0 HD13 ILE A 95 81.140 7.471 -0.410 1.00 0.00 H new ATOM 1525 N ALA A 96 77.105 5.146 -4.012 1.00 0.00 N ATOM 1526 CA ALA A 96 75.665 4.973 -4.111 1.00 0.00 C ATOM 1527 C ALA A 96 75.356 3.541 -4.522 1.00 0.00 C ATOM 1528 O ALA A 96 74.365 2.953 -4.083 1.00 0.00 O ATOM 1529 CB ALA A 96 75.093 5.949 -5.138 1.00 0.00 C ATOM 0 H ALA A 96 77.511 5.762 -4.716 1.00 0.00 H new ATOM 0 HA ALA A 96 75.207 5.176 -3.143 1.00 0.00 H new ATOM 0 HB1 ALA A 96 74.014 5.814 -5.207 1.00 0.00 H new ATOM 0 HB2 ALA A 96 75.312 6.971 -4.829 1.00 0.00 H new ATOM 0 HB3 ALA A 96 75.545 5.759 -6.111 1.00 0.00 H new ATOM 1535 N TYR A 97 76.230 2.974 -5.351 1.00 0.00 N ATOM 1536 CA TYR A 97 76.059 1.600 -5.795 1.00 0.00 C ATOM 1537 C TYR A 97 76.432 0.656 -4.661 1.00 0.00 C ATOM 1538 O TYR A 97 75.825 -0.399 -4.489 1.00 0.00 O ATOM 1539 CB TYR A 97 76.939 1.316 -7.015 1.00 0.00 C ATOM 1540 CG TYR A 97 76.961 -0.172 -7.283 1.00 0.00 C ATOM 1541 CD1 TYR A 97 75.878 -0.786 -7.923 1.00 0.00 C ATOM 1542 CD2 TYR A 97 78.063 -0.939 -6.882 1.00 0.00 C ATOM 1543 CE1 TYR A 97 75.896 -2.165 -8.163 1.00 0.00 C ATOM 1544 CE2 TYR A 97 78.081 -2.318 -7.123 1.00 0.00 C ATOM 1545 CZ TYR A 97 76.997 -2.931 -7.763 1.00 0.00 C ATOM 1546 OH TYR A 97 77.015 -4.290 -8.001 1.00 0.00 O ATOM 0 H TYR A 97 77.055 3.443 -5.724 1.00 0.00 H new ATOM 0 HA TYR A 97 75.017 1.445 -6.077 1.00 0.00 H new ATOM 0 HB2 TYR A 97 76.555 1.848 -7.886 1.00 0.00 H new ATOM 0 HB3 TYR A 97 77.951 1.680 -6.840 1.00 0.00 H new ATOM 0 HD1 TYR A 97 75.028 -0.195 -8.232 1.00 0.00 H new ATOM 0 HD2 TYR A 97 78.898 -0.466 -6.387 1.00 0.00 H new ATOM 0 HE1 TYR A 97 75.060 -2.638 -8.657 1.00 0.00 H new ATOM 0 HE2 TYR A 97 78.931 -2.909 -6.815 1.00 0.00 H new ATOM 0 HH TYR A 97 77.852 -4.670 -7.662 1.00 0.00 H new ATOM 1556 N LEU A 98 77.432 1.058 -3.882 1.00 0.00 N ATOM 1557 CA LEU A 98 77.878 0.258 -2.752 1.00 0.00 C ATOM 1558 C LEU A 98 76.728 0.061 -1.770 1.00 0.00 C ATOM 1559 O LEU A 98 76.510 -1.035 -1.260 1.00 0.00 O ATOM 1560 CB LEU A 98 79.029 0.967 -2.033 1.00 0.00 C ATOM 1561 CG LEU A 98 80.349 0.749 -2.788 1.00 0.00 C ATOM 1562 CD1 LEU A 98 81.387 1.773 -2.312 1.00 0.00 C ATOM 1563 CD2 LEU A 98 80.875 -0.668 -2.522 1.00 0.00 C ATOM 0 H LEU A 98 77.945 1.930 -4.014 1.00 0.00 H new ATOM 0 HA LEU A 98 78.216 -0.710 -3.121 1.00 0.00 H new ATOM 0 HB2 LEU A 98 78.817 2.034 -1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 98 79.118 0.588 -1.015 1.00 0.00 H new ATOM 0 HG LEU A 98 80.173 0.874 -3.857 1.00 0.00 H new ATOM 0 HD11 LEU A 98 82.323 1.618 -2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 98 81.020 2.781 -2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 98 81.556 1.649 -1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 98 81.811 -0.816 -3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 98 81.047 -0.798 -1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 98 80.141 -1.398 -2.863 1.00 0.00 H new ATOM 1575 N LYS A 99 76.002 1.143 -1.504 1.00 0.00 N ATOM 1576 CA LYS A 99 74.880 1.098 -0.573 1.00 0.00 C ATOM 1577 C LYS A 99 73.795 0.141 -1.062 1.00 0.00 C ATOM 1578 O LYS A 99 73.360 -0.744 -0.326 1.00 0.00 O ATOM 1579 CB LYS A 99 74.285 2.499 -0.406 1.00 0.00 C ATOM 1580 CG LYS A 99 75.291 3.400 0.315 1.00 0.00 C ATOM 1581 CD LYS A 99 74.794 4.849 0.290 1.00 0.00 C ATOM 1582 CE LYS A 99 73.483 4.960 1.076 1.00 0.00 C ATOM 1583 NZ LYS A 99 73.266 6.377 1.483 1.00 0.00 N1+ ATOM 0 H LYS A 99 76.170 2.059 -1.919 1.00 0.00 H new ATOM 0 HA LYS A 99 75.252 0.738 0.386 1.00 0.00 H new ATOM 0 HB2 LYS A 99 74.038 2.919 -1.381 1.00 0.00 H new ATOM 0 HB3 LYS A 99 73.356 2.446 0.162 1.00 0.00 H new ATOM 0 HG2 LYS A 99 75.420 3.067 1.345 1.00 0.00 H new ATOM 0 HG3 LYS A 99 76.266 3.331 -0.167 1.00 0.00 H new ATOM 0 HD2 LYS A 99 75.546 5.509 0.723 1.00 0.00 H new ATOM 0 HD3 LYS A 99 74.641 5.173 -0.739 1.00 0.00 H new ATOM 0 HE2 LYS A 99 72.650 4.614 0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 99 73.519 4.319 1.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 72.376 6.453 2.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 74.056 6.691 2.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 73.214 6.977 0.635 1.00 0.00 H new ATOM 1597 N LYS A 100 73.351 0.334 -2.299 1.00 0.00 N ATOM 1598 CA LYS A 100 72.304 -0.511 -2.866 1.00 0.00 C ATOM 1599 C LYS A 100 72.832 -1.907 -3.187 1.00 0.00 C ATOM 1600 O LYS A 100 72.063 -2.865 -3.275 1.00 0.00 O ATOM 1601 CB LYS A 100 71.753 0.130 -4.141 1.00 0.00 C ATOM 1602 CG LYS A 100 71.151 1.499 -3.807 1.00 0.00 C ATOM 1603 CD LYS A 100 70.861 2.270 -5.101 1.00 0.00 C ATOM 1604 CE LYS A 100 69.577 1.741 -5.744 1.00 0.00 C ATOM 1605 NZ LYS A 100 68.459 1.809 -4.761 1.00 0.00 N1+ ATOM 0 H LYS A 100 73.696 1.062 -2.925 1.00 0.00 H new ATOM 0 HA LYS A 100 71.510 -0.605 -2.125 1.00 0.00 H new ATOM 0 HB2 LYS A 100 72.549 0.241 -4.878 1.00 0.00 H new ATOM 0 HB3 LYS A 100 70.994 -0.514 -4.586 1.00 0.00 H new ATOM 0 HG2 LYS A 100 70.232 1.372 -3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 100 71.840 2.067 -3.182 1.00 0.00 H new ATOM 0 HD2 LYS A 100 70.759 3.334 -4.886 1.00 0.00 H new ATOM 0 HD3 LYS A 100 71.696 2.163 -5.794 1.00 0.00 H new ATOM 0 HE2 LYS A 100 69.333 2.329 -6.629 1.00 0.00 H new ATOM 0 HE3 LYS A 100 69.721 0.712 -6.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 67.584 2.085 -5.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 68.329 0.877 -4.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 68.683 2.512 -4.028 1.00 0.00 H new ATOM 1619 N ALA A 101 74.143 -2.017 -3.369 1.00 0.00 N ATOM 1620 CA ALA A 101 74.755 -3.304 -3.688 1.00 0.00 C ATOM 1621 C ALA A 101 75.069 -4.085 -2.417 1.00 0.00 C ATOM 1622 O ALA A 101 75.115 -5.315 -2.429 1.00 0.00 O ATOM 1623 CB ALA A 101 76.045 -3.085 -4.480 1.00 0.00 C ATOM 0 H ALA A 101 74.799 -1.239 -3.302 1.00 0.00 H new ATOM 0 HA ALA A 101 74.048 -3.878 -4.287 1.00 0.00 H new ATOM 0 HB1 ALA A 101 76.496 -4.049 -4.714 1.00 0.00 H new ATOM 0 HB2 ALA A 101 75.818 -2.556 -5.406 1.00 0.00 H new ATOM 0 HB3 ALA A 101 76.741 -2.494 -3.885 1.00 0.00 H new ATOM 1629 N THR A 102 75.282 -3.363 -1.323 1.00 0.00 N ATOM 1630 CA THR A 102 75.593 -3.995 -0.048 1.00 0.00 C ATOM 1631 C THR A 102 74.312 -4.258 0.730 1.00 0.00 C ATOM 1632 O THR A 102 74.333 -4.851 1.809 1.00 0.00 O ATOM 1633 CB THR A 102 76.510 -3.086 0.771 1.00 0.00 C ATOM 1634 OG1 THR A 102 75.938 -1.789 0.849 1.00 0.00 O ATOM 1635 CG2 THR A 102 77.880 -3.005 0.096 1.00 0.00 C ATOM 0 H THR A 102 75.245 -2.344 -1.294 1.00 0.00 H new ATOM 0 HA THR A 102 76.098 -4.942 -0.238 1.00 0.00 H new ATOM 0 HB THR A 102 76.626 -3.492 1.776 1.00 0.00 H new ATOM 0 HG1 THR A 102 76.453 -1.170 0.290 1.00 0.00 H new ATOM 0 HG21 THR A 102 78.535 -2.357 0.679 1.00 0.00 H new ATOM 0 HG22 THR A 102 78.316 -4.002 0.036 1.00 0.00 H new ATOM 0 HG23 THR A 102 77.767 -2.598 -0.909 1.00 0.00 H new ATOM 1643 N ASN A 103 73.199 -3.802 0.169 1.00 0.00 N ATOM 1644 CA ASN A 103 71.899 -3.974 0.802 1.00 0.00 C ATOM 1645 C ASN A 103 71.197 -5.213 0.252 1.00 0.00 C ATOM 1646 O ASN A 103 70.310 -5.773 0.895 1.00 0.00 O ATOM 1647 CB ASN A 103 71.042 -2.737 0.542 1.00 0.00 C ATOM 1648 CG ASN A 103 71.497 -1.591 1.435 1.00 0.00 C ATOM 1649 OD1 ASN A 103 70.709 -0.702 1.757 1.00 0.00 O ATOM 1650 ND2 ASN A 103 72.729 -1.559 1.856 1.00 0.00 N ATOM 0 H ASN A 103 73.171 -3.310 -0.724 1.00 0.00 H new ATOM 0 HA ASN A 103 72.042 -4.103 1.875 1.00 0.00 H new ATOM 0 HB2 ASN A 103 71.118 -2.445 -0.505 1.00 0.00 H new ATOM 0 HB3 ASN A 103 69.993 -2.964 0.734 1.00 0.00 H new ATOM 0 HD21 ASN A 103 73.044 -0.795 2.455 1.00 0.00 H new ATOM 0 HD22 ASN A 103 73.379 -2.297 1.587 1.00 0.00 H new ATOM 1657 N GLU A 104 71.604 -5.631 -0.941 1.00 0.00 N ATOM 1658 CA GLU A 104 71.012 -6.806 -1.573 1.00 0.00 C ATOM 1659 C GLU A 104 71.963 -7.391 -2.611 1.00 0.00 C ATOM 1660 O GLU A 104 72.855 -6.676 -3.039 1.00 0.00 O ATOM 1661 CB GLU A 104 69.689 -6.428 -2.245 1.00 0.00 C ATOM 1662 CG GLU A 104 69.885 -5.170 -3.094 1.00 0.00 C ATOM 1663 CD GLU A 104 68.619 -4.877 -3.891 1.00 0.00 C ATOM 1664 OE1 GLU A 104 68.141 -5.778 -4.560 1.00 0.00 O ATOM 1665 OE2 GLU A 104 68.146 -3.755 -3.821 1.00 0.00 O1- ATOM 1666 OXT GLU A 104 71.786 -8.545 -2.964 1.00 0.00 O ATOM 0 H GLU A 104 72.336 -5.178 -1.488 1.00 0.00 H new ATOM 0 HA GLU A 104 70.827 -7.555 -0.803 1.00 0.00 H new ATOM 0 HB2 GLU A 104 69.339 -7.250 -2.870 1.00 0.00 H new ATOM 0 HB3 GLU A 104 68.923 -6.253 -1.490 1.00 0.00 H new ATOM 0 HG2 GLU A 104 70.125 -4.322 -2.453 1.00 0.00 H new ATOM 0 HG3 GLU A 104 70.728 -5.306 -3.772 1.00 0.00 H new