USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 766 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 53 MET CE :methyl 170:sc= -1.85 (180deg=-1.69) USER MOD Set 1.2: A 57 MET CE :methyl -131:sc= -1.95 (180deg=-3.22) USER MOD Set 2.1: A 25 MET CE :methyl -178:sc= 0 (180deg=-0.00689) USER MOD Set 2.2: A 77 SER OG : rot -14:sc= -0.8 USER MOD Set 3.1: A 17 GLN : amide:sc= -4.82! C(o=-7.6!,f=-2.5!) USER MOD Set 3.2: A 74 GLN : amide:sc= -2.83! K(o=-7.6!,f=-2.3) USER MOD Set 4.1: A 7 MET CE :methyl -127:sc= -0.476 (180deg=-6.19!) USER MOD Set 4.2: A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 46:sc= -1.02 USER MOD Single : A 6 ASN : amide:sc=-0.00115 K(o=-0.0011,f=-1.2) USER MOD Single : A 8 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0656) USER MOD Single : A 11 THR OG1 : rot 36:sc= 0.3 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -1.51! K(o=-1.5!,f=-0.78) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -165:sc=-0.00509 (180deg=-0.186) USER MOD Single : A 28 LYS NZ :NH3+ -154:sc= -0.0689 (180deg=-0.436) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 28:sc= 0.696 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.429! C(o=-0.43!,f=-1.7!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 CYS SG : rot 40:sc= -0.262 USER MOD Single : A 45 SER OG : rot 180:sc= -0.775 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 158:sc= -0.0996 (180deg=-0.679) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -163:sc= -0.019 (180deg=-0.366) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -1.85! K(o=-1.9!,f=-0.092) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.296! USER MOD Single : A 79 SER OG : rot 180:sc= -0.548 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.496 X(o=-0.5,f=-0.2) USER MOD Single : A 88 SER OG : rot -99:sc= 0.651! USER MOD Single : A 90 HIS : no HD1:sc= -3.15! C(o=-3.2!,f=-5.1!) USER MOD Single : A 91 SER OG : rot -110:sc= 0.557 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -126:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 11.499 11.170 0.338 1.00 1.00 N ATOM 21 CA LYS A 2 11.860 9.853 -0.195 1.00 1.00 C ATOM 22 C LYS A 2 11.069 8.754 0.503 1.00 1.00 C ATOM 23 O LYS A 2 11.643 7.910 1.192 1.00 1.00 O ATOM 24 CB LYS A 2 13.353 9.606 0.030 1.00 1.00 C ATOM 25 CG LYS A 2 14.179 10.704 -0.643 1.00 1.00 C ATOM 26 CD LYS A 2 15.665 10.444 -0.386 1.00 1.00 C ATOM 27 CE LYS A 2 16.505 11.485 -1.130 1.00 1.00 C ATOM 28 NZ LYS A 2 17.892 11.483 -0.586 1.00 1.00 N ATOM 0 HA LYS A 2 11.629 9.836 -1.260 1.00 1.00 H new ATOM 0 HB2 LYS A 2 13.568 9.583 1.098 1.00 1.00 H new ATOM 0 HB3 LYS A 2 13.632 8.632 -0.373 1.00 1.00 H new ATOM 0 HG2 LYS A 2 13.980 10.720 -1.715 1.00 1.00 H new ATOM 0 HG3 LYS A 2 13.895 11.681 -0.251 1.00 1.00 H new ATOM 0 HD2 LYS A 2 15.873 10.491 0.683 1.00 1.00 H new ATOM 0 HD3 LYS A 2 15.932 9.441 -0.719 1.00 1.00 H new ATOM 0 HE2 LYS A 2 16.521 11.261 -2.197 1.00 1.00 H new ATOM 0 HE3 LYS A 2 16.060 12.474 -1.019 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 18.464 12.190 -1.091 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 17.868 11.717 0.427 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 18.314 10.541 -0.714 1.00 1.00 H new ATOM 42 N PRO A 3 9.772 8.743 0.354 1.00 1.00 N ATOM 43 CA PRO A 3 8.908 7.720 0.998 1.00 1.00 C ATOM 44 C PRO A 3 8.926 6.388 0.240 1.00 1.00 C ATOM 45 O PRO A 3 9.317 5.356 0.788 1.00 1.00 O ATOM 46 CB PRO A 3 7.523 8.381 0.971 1.00 1.00 C ATOM 47 CG PRO A 3 7.529 9.225 -0.266 1.00 1.00 C ATOM 48 CD PRO A 3 8.984 9.698 -0.459 1.00 1.00 C ATOM 0 HA PRO A 3 9.236 7.454 2.003 1.00 1.00 H new ATOM 0 HB2 PRO A 3 6.729 7.635 0.938 1.00 1.00 H new ATOM 0 HB3 PRO A 3 7.355 8.986 1.862 1.00 1.00 H new ATOM 0 HG2 PRO A 3 7.188 8.653 -1.129 1.00 1.00 H new ATOM 0 HG3 PRO A 3 6.854 10.075 -0.160 1.00 1.00 H new ATOM 0 HD2 PRO A 3 9.279 9.670 -1.508 1.00 1.00 H new ATOM 0 HD3 PRO A 3 9.121 10.724 -0.117 1.00 1.00 H new ATOM 56 N LEU A 4 8.504 6.428 -1.020 1.00 1.00 N ATOM 57 CA LEU A 4 8.461 5.240 -1.871 1.00 1.00 C ATOM 58 C LEU A 4 9.717 5.131 -2.743 1.00 1.00 C ATOM 59 O LEU A 4 9.833 4.212 -3.554 1.00 1.00 O ATOM 60 CB LEU A 4 7.216 5.295 -2.772 1.00 1.00 C ATOM 61 CG LEU A 4 5.990 4.780 -2.009 1.00 1.00 C ATOM 62 CD1 LEU A 4 5.778 5.609 -0.742 1.00 1.00 C ATOM 63 CD2 LEU A 4 4.746 4.846 -2.907 1.00 1.00 C ATOM 0 H LEU A 4 8.183 7.280 -1.480 1.00 1.00 H new ATOM 0 HA LEU A 4 8.417 4.363 -1.225 1.00 1.00 H new ATOM 0 HB2 LEU A 4 7.043 6.319 -3.105 1.00 1.00 H new ATOM 0 HB3 LEU A 4 7.377 4.692 -3.666 1.00 1.00 H new ATOM 0 HG LEU A 4 6.158 3.742 -1.723 1.00 1.00 H new ATOM 0 HD11 LEU A 4 4.905 5.237 -0.206 1.00 1.00 H new ATOM 0 HD12 LEU A 4 6.658 5.529 -0.103 1.00 1.00 H new ATOM 0 HD13 LEU A 4 5.620 6.653 -1.013 1.00 1.00 H new ATOM 0 HD21 LEU A 4 3.880 4.478 -2.357 1.00 1.00 H new ATOM 0 HD22 LEU A 4 4.571 5.878 -3.211 1.00 1.00 H new ATOM 0 HD23 LEU A 4 4.903 4.229 -3.792 1.00 1.00 H new ATOM 75 N SER A 5 10.643 6.072 -2.593 1.00 1.00 N ATOM 76 CA SER A 5 11.867 6.059 -3.397 1.00 1.00 C ATOM 77 C SER A 5 12.862 5.033 -2.861 1.00 1.00 C ATOM 78 O SER A 5 13.912 4.802 -3.460 1.00 1.00 O ATOM 79 CB SER A 5 12.522 7.442 -3.376 1.00 1.00 C ATOM 80 OG SER A 5 11.755 8.345 -4.163 1.00 1.00 O ATOM 0 H SER A 5 10.575 6.846 -1.932 1.00 1.00 H new ATOM 0 HA SER A 5 11.594 5.791 -4.418 1.00 1.00 H new ATOM 0 HB2 SER A 5 12.593 7.807 -2.351 1.00 1.00 H new ATOM 0 HB3 SER A 5 13.539 7.380 -3.763 1.00 1.00 H new ATOM 0 HG SER A 5 10.805 8.242 -3.946 1.00 1.00 H new ATOM 86 N ASN A 6 12.538 4.445 -1.714 1.00 1.00 N ATOM 87 CA ASN A 6 13.422 3.468 -1.068 1.00 1.00 C ATOM 88 C ASN A 6 12.784 2.084 -0.986 1.00 1.00 C ATOM 89 O ASN A 6 13.197 1.270 -0.162 1.00 1.00 O ATOM 90 CB ASN A 6 13.736 3.946 0.350 1.00 1.00 C ATOM 91 CG ASN A 6 14.561 5.228 0.319 1.00 1.00 C ATOM 92 OD1 ASN A 6 15.252 5.510 -0.660 1.00 1.00 O ATOM 93 ND2 ASN A 6 14.515 6.034 1.346 1.00 1.00 N ATOM 0 H ASN A 6 11.670 4.625 -1.209 1.00 1.00 H new ATOM 0 HA ASN A 6 14.328 3.388 -1.669 1.00 1.00 H new ATOM 0 HB2 ASN A 6 12.808 4.119 0.894 1.00 1.00 H new ATOM 0 HB3 ASN A 6 14.281 3.170 0.888 1.00 1.00 H new ATOM 0 HD21 ASN A 6 15.053 6.901 1.339 1.00 1.00 H new ATOM 0 HD22 ASN A 6 13.941 5.797 2.155 1.00 1.00 H new ATOM 100 N MET A 7 11.766 1.810 -1.802 1.00 1.00 N ATOM 101 CA MET A 7 11.110 0.508 -1.724 1.00 1.00 C ATOM 102 C MET A 7 10.288 0.198 -2.981 1.00 1.00 C ATOM 103 O MET A 7 10.118 1.045 -3.855 1.00 1.00 O ATOM 104 CB MET A 7 10.179 0.485 -0.500 1.00 1.00 C ATOM 105 CG MET A 7 9.496 1.845 -0.341 1.00 1.00 C ATOM 106 SD MET A 7 8.424 1.844 1.122 1.00 1.00 S ATOM 107 CE MET A 7 6.959 1.054 0.403 1.00 1.00 C ATOM 0 H MET A 7 11.389 2.449 -2.502 1.00 1.00 H new ATOM 0 HA MET A 7 11.888 -0.250 -1.637 1.00 1.00 H new ATOM 0 HB2 MET A 7 9.429 -0.297 -0.617 1.00 1.00 H new ATOM 0 HB3 MET A 7 10.750 0.247 0.398 1.00 1.00 H new ATOM 0 HG2 MET A 7 10.248 2.629 -0.249 1.00 1.00 H new ATOM 0 HG3 MET A 7 8.908 2.071 -1.231 1.00 1.00 H new ATOM 0 HE1 MET A 7 6.083 1.675 0.589 1.00 1.00 H new ATOM 0 HE2 MET A 7 7.099 0.937 -0.672 1.00 1.00 H new ATOM 0 HE3 MET A 7 6.813 0.074 0.858 1.00 1.00 H new ATOM 117 N LYS A 8 9.750 -1.030 -3.024 1.00 1.00 N ATOM 118 CA LYS A 8 8.904 -1.486 -4.133 1.00 1.00 C ATOM 119 C LYS A 8 7.439 -1.451 -3.685 1.00 1.00 C ATOM 120 O LYS A 8 7.151 -1.532 -2.490 1.00 1.00 O ATOM 121 CB LYS A 8 9.288 -2.926 -4.544 1.00 1.00 C ATOM 122 CG LYS A 8 10.391 -2.904 -5.613 1.00 1.00 C ATOM 123 CD LYS A 8 11.676 -2.340 -5.010 1.00 1.00 C ATOM 124 CE LYS A 8 12.800 -2.393 -6.049 1.00 1.00 C ATOM 125 NZ LYS A 8 13.303 -3.791 -6.167 1.00 1.00 N ATOM 0 H LYS A 8 9.889 -1.730 -2.295 1.00 1.00 H new ATOM 0 HA LYS A 8 9.048 -0.830 -4.991 1.00 1.00 H new ATOM 0 HB2 LYS A 8 9.631 -3.481 -3.671 1.00 1.00 H new ATOM 0 HB3 LYS A 8 8.411 -3.447 -4.928 1.00 1.00 H new ATOM 0 HG2 LYS A 8 10.566 -3.911 -5.991 1.00 1.00 H new ATOM 0 HG3 LYS A 8 10.078 -2.296 -6.461 1.00 1.00 H new ATOM 0 HD2 LYS A 8 11.516 -1.312 -4.685 1.00 1.00 H new ATOM 0 HD3 LYS A 8 11.957 -2.913 -4.127 1.00 1.00 H new ATOM 0 HE2 LYS A 8 12.434 -2.044 -7.015 1.00 1.00 H new ATOM 0 HE3 LYS A 8 13.612 -1.727 -5.757 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 14.180 -3.798 -6.726 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 13.493 -4.173 -5.218 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 12.587 -4.379 -6.639 1.00 1.00 H new ATOM 139 N ILE A 9 6.521 -1.302 -4.640 1.00 1.00 N ATOM 140 CA ILE A 9 5.086 -1.220 -4.324 1.00 1.00 C ATOM 141 C ILE A 9 4.260 -2.199 -5.164 1.00 1.00 C ATOM 142 O ILE A 9 4.439 -2.303 -6.375 1.00 1.00 O ATOM 143 CB ILE A 9 4.607 0.209 -4.588 1.00 1.00 C ATOM 144 CG1 ILE A 9 5.259 1.195 -3.597 1.00 1.00 C ATOM 145 CG2 ILE A 9 3.075 0.283 -4.495 1.00 1.00 C ATOM 146 CD1 ILE A 9 4.510 1.208 -2.255 1.00 1.00 C ATOM 0 H ILE A 9 6.739 -1.235 -5.634 1.00 1.00 H new ATOM 0 HA ILE A 9 4.949 -1.488 -3.276 1.00 1.00 H new ATOM 0 HB ILE A 9 4.908 0.493 -5.596 1.00 1.00 H new ATOM 0 HG12 ILE A 9 6.300 0.916 -3.433 1.00 1.00 H new ATOM 0 HG13 ILE A 9 5.261 2.197 -4.025 1.00 1.00 H new ATOM 0 HG21 ILE A 9 2.748 1.305 -4.685 1.00 1.00 H new ATOM 0 HG22 ILE A 9 2.633 -0.383 -5.236 1.00 1.00 H new ATOM 0 HG23 ILE A 9 2.756 -0.021 -3.498 1.00 1.00 H new ATOM 0 HD11 ILE A 9 4.992 1.912 -1.576 1.00 1.00 H new ATOM 0 HD12 ILE A 9 3.476 1.511 -2.418 1.00 1.00 H new ATOM 0 HD13 ILE A 9 4.530 0.210 -1.817 1.00 1.00 H new ATOM 158 N LEU A 10 3.338 -2.905 -4.500 1.00 1.00 N ATOM 159 CA LEU A 10 2.459 -3.867 -5.177 1.00 1.00 C ATOM 160 C LEU A 10 1.028 -3.354 -5.153 1.00 1.00 C ATOM 161 O LEU A 10 0.520 -2.934 -4.113 1.00 1.00 O ATOM 162 CB LEU A 10 2.518 -5.220 -4.469 1.00 1.00 C ATOM 163 CG LEU A 10 1.882 -6.339 -5.334 1.00 1.00 C ATOM 164 CD1 LEU A 10 2.624 -7.647 -5.073 1.00 1.00 C ATOM 165 CD2 LEU A 10 0.401 -6.534 -4.973 1.00 1.00 C ATOM 0 H LEU A 10 3.181 -2.829 -3.495 1.00 1.00 H new ATOM 0 HA LEU A 10 2.792 -3.985 -6.208 1.00 1.00 H new ATOM 0 HB2 LEU A 10 3.555 -5.473 -4.250 1.00 1.00 H new ATOM 0 HB3 LEU A 10 1.997 -5.156 -3.514 1.00 1.00 H new ATOM 0 HG LEU A 10 1.955 -6.053 -6.383 1.00 1.00 H new ATOM 0 HD11 LEU A 10 2.185 -8.441 -5.677 1.00 1.00 H new ATOM 0 HD12 LEU A 10 3.675 -7.529 -5.338 1.00 1.00 H new ATOM 0 HD13 LEU A 10 2.543 -7.907 -4.017 1.00 1.00 H new ATOM 0 HD21 LEU A 10 -0.024 -7.324 -5.593 1.00 1.00 H new ATOM 0 HD22 LEU A 10 0.316 -6.812 -3.922 1.00 1.00 H new ATOM 0 HD23 LEU A 10 -0.141 -5.605 -5.148 1.00 1.00 H new ATOM 177 N THR A 11 0.378 -3.392 -6.306 1.00 1.00 N ATOM 178 CA THR A 11 -1.006 -2.918 -6.413 1.00 1.00 C ATOM 179 C THR A 11 -1.978 -4.096 -6.478 1.00 1.00 C ATOM 180 O THR A 11 -1.877 -4.951 -7.359 1.00 1.00 O ATOM 181 CB THR A 11 -1.165 -2.064 -7.672 1.00 1.00 C ATOM 182 OG1 THR A 11 -0.631 -2.767 -8.786 1.00 1.00 O ATOM 183 CG2 THR A 11 -0.419 -0.740 -7.490 1.00 1.00 C ATOM 0 H THR A 11 0.776 -3.742 -7.177 1.00 1.00 H new ATOM 0 HA THR A 11 -1.233 -2.321 -5.530 1.00 1.00 H new ATOM 0 HB THR A 11 -2.221 -1.859 -7.845 1.00 1.00 H new ATOM 0 HG1 THR A 11 -0.808 -3.725 -8.683 1.00 1.00 H new ATOM 0 HG21 THR A 11 -0.533 -0.132 -8.387 1.00 1.00 H new ATOM 0 HG22 THR A 11 -0.831 -0.205 -6.635 1.00 1.00 H new ATOM 0 HG23 THR A 11 0.639 -0.939 -7.318 1.00 1.00 H new ATOM 191 N LEU A 12 -2.931 -4.123 -5.547 1.00 1.00 N ATOM 192 CA LEU A 12 -3.936 -5.188 -5.510 1.00 1.00 C ATOM 193 C LEU A 12 -4.755 -5.146 -6.802 1.00 1.00 C ATOM 194 O LEU A 12 -5.037 -6.174 -7.413 1.00 1.00 O ATOM 195 CB LEU A 12 -4.849 -4.966 -4.286 1.00 1.00 C ATOM 196 CG LEU A 12 -5.578 -6.257 -3.850 1.00 1.00 C ATOM 197 CD1 LEU A 12 -6.368 -6.860 -5.020 1.00 1.00 C ATOM 198 CD2 LEU A 12 -4.575 -7.298 -3.316 1.00 1.00 C ATOM 0 H LEU A 12 -3.029 -3.424 -4.811 1.00 1.00 H new ATOM 0 HA LEU A 12 -3.457 -6.164 -5.427 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -4.252 -4.591 -3.455 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -5.586 -4.198 -4.521 1.00 1.00 H new ATOM 0 HG LEU A 12 -6.272 -5.991 -3.053 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -6.873 -7.768 -4.689 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -7.108 -6.140 -5.369 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -5.685 -7.101 -5.834 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -5.111 -8.198 -3.015 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -3.858 -7.547 -4.098 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -4.046 -6.886 -2.457 1.00 1.00 H new ATOM 210 N GLY A 13 -5.123 -3.940 -7.216 1.00 1.00 N ATOM 211 CA GLY A 13 -5.901 -3.768 -8.438 1.00 1.00 C ATOM 212 C GLY A 13 -6.512 -2.375 -8.505 1.00 1.00 C ATOM 213 O GLY A 13 -5.803 -1.370 -8.445 1.00 1.00 O ATOM 0 H GLY A 13 -4.898 -3.073 -6.729 1.00 1.00 H new ATOM 0 HA2 GLY A 13 -5.262 -3.931 -9.306 1.00 1.00 H new ATOM 0 HA3 GLY A 13 -6.691 -4.518 -8.479 1.00 1.00 H new ATOM 217 N LYS A 14 -7.833 -2.319 -8.645 1.00 1.00 N ATOM 218 CA LYS A 14 -8.528 -1.040 -8.729 1.00 1.00 C ATOM 219 C LYS A 14 -8.616 -0.396 -7.350 1.00 1.00 C ATOM 220 O LYS A 14 -8.950 -1.054 -6.366 1.00 1.00 O ATOM 221 CB LYS A 14 -9.935 -1.249 -9.294 1.00 1.00 C ATOM 222 CG LYS A 14 -10.606 0.105 -9.525 1.00 1.00 C ATOM 223 CD LYS A 14 -11.987 -0.102 -10.147 1.00 1.00 C ATOM 224 CE LYS A 14 -12.634 1.264 -10.384 1.00 1.00 C ATOM 225 NZ LYS A 14 -14.007 1.089 -10.937 1.00 1.00 N ATOM 0 H LYS A 14 -8.439 -3.137 -8.702 1.00 1.00 H new ATOM 0 HA LYS A 14 -7.969 -0.379 -9.392 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -9.882 -1.804 -10.231 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -10.529 -1.847 -8.603 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -10.699 0.641 -8.581 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -9.990 0.720 -10.181 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -11.899 -0.646 -11.088 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -12.611 -0.705 -9.487 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -12.678 1.822 -9.449 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -12.026 1.848 -11.075 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -14.439 2.022 -11.095 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -13.955 0.574 -11.839 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -14.586 0.549 -10.263 1.00 1.00 H new ATOM 239 N LEU A 15 -8.316 0.899 -7.289 1.00 1.00 N ATOM 240 CA LEU A 15 -8.369 1.642 -6.030 1.00 1.00 C ATOM 241 C LEU A 15 -8.965 3.032 -6.256 1.00 1.00 C ATOM 242 O LEU A 15 -9.528 3.297 -7.318 1.00 1.00 O ATOM 243 CB LEU A 15 -6.975 1.713 -5.391 1.00 1.00 C ATOM 244 CG LEU A 15 -6.077 2.728 -6.106 1.00 1.00 C ATOM 245 CD1 LEU A 15 -4.665 2.636 -5.522 1.00 1.00 C ATOM 246 CD2 LEU A 15 -6.023 2.415 -7.601 1.00 1.00 C ATOM 0 H LEU A 15 -8.034 1.456 -8.095 1.00 1.00 H new ATOM 0 HA LEU A 15 -9.021 1.116 -5.333 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -7.069 1.987 -4.340 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -6.509 0.728 -5.423 1.00 1.00 H new ATOM 0 HG LEU A 15 -6.479 3.731 -5.965 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -4.016 3.354 -6.023 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -4.697 2.859 -4.456 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -4.275 1.629 -5.671 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -5.383 3.141 -8.102 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -5.620 1.413 -7.749 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -7.028 2.467 -8.020 1.00 1.00 H new ATOM 258 N SER A 16 -8.887 3.900 -5.247 1.00 1.00 N ATOM 259 CA SER A 16 -9.472 5.237 -5.362 1.00 1.00 C ATOM 260 C SER A 16 -8.823 6.047 -6.487 1.00 1.00 C ATOM 261 O SER A 16 -9.515 6.702 -7.267 1.00 1.00 O ATOM 262 CB SER A 16 -9.334 5.995 -4.041 1.00 1.00 C ATOM 263 OG SER A 16 -9.939 7.275 -4.172 1.00 1.00 O ATOM 0 H SER A 16 -8.432 3.707 -4.355 1.00 1.00 H new ATOM 0 HA SER A 16 -10.528 5.108 -5.602 1.00 1.00 H new ATOM 0 HB2 SER A 16 -9.809 5.435 -3.235 1.00 1.00 H new ATOM 0 HB3 SER A 16 -8.282 6.102 -3.777 1.00 1.00 H new ATOM 0 HG SER A 16 -9.855 7.765 -3.327 1.00 1.00 H new ATOM 269 N GLN A 17 -7.497 6.000 -6.562 1.00 1.00 N ATOM 270 CA GLN A 17 -6.770 6.728 -7.599 1.00 1.00 C ATOM 271 C GLN A 17 -6.924 6.023 -8.941 1.00 1.00 C ATOM 272 O GLN A 17 -6.876 4.798 -9.019 1.00 1.00 O ATOM 273 CB GLN A 17 -5.285 6.825 -7.221 1.00 1.00 C ATOM 274 CG GLN A 17 -5.087 7.927 -6.172 1.00 1.00 C ATOM 275 CD GLN A 17 -3.779 7.715 -5.417 1.00 1.00 C ATOM 276 OE1 GLN A 17 -2.712 7.628 -6.024 1.00 1.00 O ATOM 277 NE2 GLN A 17 -3.813 7.598 -4.117 1.00 1.00 N ATOM 0 H GLN A 17 -6.906 5.469 -5.922 1.00 1.00 H new ATOM 0 HA GLN A 17 -7.183 7.733 -7.683 1.00 1.00 H new ATOM 0 HB2 GLN A 17 -4.937 5.870 -6.828 1.00 1.00 H new ATOM 0 HB3 GLN A 17 -4.688 7.042 -8.107 1.00 1.00 H new ATOM 0 HG2 GLN A 17 -5.080 8.903 -6.658 1.00 1.00 H new ATOM 0 HG3 GLN A 17 -5.922 7.926 -5.472 1.00 1.00 H new ATOM 0 HE21 GLN A 17 -4.701 7.671 -3.621 1.00 1.00 H new ATOM 0 HE22 GLN A 17 -2.951 7.433 -3.597 1.00 1.00 H new ATOM 286 N ASN A 18 -7.109 6.807 -9.990 1.00 1.00 N ATOM 287 CA ASN A 18 -7.275 6.247 -11.325 1.00 1.00 C ATOM 288 C ASN A 18 -6.013 5.512 -11.756 1.00 1.00 C ATOM 289 O ASN A 18 -4.949 5.659 -11.158 1.00 1.00 O ATOM 290 CB ASN A 18 -7.592 7.358 -12.325 1.00 1.00 C ATOM 291 CG ASN A 18 -8.817 8.135 -11.869 1.00 1.00 C ATOM 292 OD1 ASN A 18 -9.949 7.718 -12.119 1.00 1.00 O ATOM 293 ND2 ASN A 18 -8.659 9.239 -11.198 1.00 1.00 N ATOM 0 H ASN A 18 -7.148 7.825 -9.947 1.00 1.00 H new ATOM 0 HA ASN A 18 -8.103 5.539 -11.301 1.00 1.00 H new ATOM 0 HB2 ASN A 18 -6.739 8.030 -12.417 1.00 1.00 H new ATOM 0 HB3 ASN A 18 -7.769 6.930 -13.312 1.00 1.00 H new ATOM 0 HD21 ASN A 18 -9.474 9.762 -10.877 1.00 1.00 H new ATOM 0 HD22 ASN A 18 -7.720 9.581 -10.993 1.00 1.00 H new ATOM 300 N LYS A 19 -6.143 4.718 -12.803 1.00 1.00 N ATOM 301 CA LYS A 19 -5.016 3.953 -13.318 1.00 1.00 C ATOM 302 C LYS A 19 -3.870 4.873 -13.726 1.00 1.00 C ATOM 303 O LYS A 19 -2.714 4.619 -13.386 1.00 1.00 O ATOM 304 CB LYS A 19 -5.497 3.122 -14.514 1.00 1.00 C ATOM 305 CG LYS A 19 -4.305 2.536 -15.308 1.00 1.00 C ATOM 306 CD LYS A 19 -4.039 3.375 -16.565 1.00 1.00 C ATOM 307 CE LYS A 19 -2.778 2.862 -17.249 1.00 1.00 C ATOM 308 NZ LYS A 19 -2.667 3.450 -18.614 1.00 1.00 N ATOM 0 H LYS A 19 -7.015 4.584 -13.315 1.00 1.00 H new ATOM 0 HA LYS A 19 -4.638 3.293 -12.537 1.00 1.00 H new ATOM 0 HB2 LYS A 19 -6.136 2.312 -14.163 1.00 1.00 H new ATOM 0 HB3 LYS A 19 -6.104 3.745 -15.172 1.00 1.00 H new ATOM 0 HG2 LYS A 19 -3.415 2.517 -14.680 1.00 1.00 H new ATOM 0 HG3 LYS A 19 -4.518 1.505 -15.589 1.00 1.00 H new ATOM 0 HD2 LYS A 19 -4.888 3.312 -17.246 1.00 1.00 H new ATOM 0 HD3 LYS A 19 -3.921 4.425 -16.298 1.00 1.00 H new ATOM 0 HE2 LYS A 19 -1.901 3.125 -16.658 1.00 1.00 H new ATOM 0 HE3 LYS A 19 -2.805 1.774 -17.313 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 -1.805 3.096 -19.075 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 -3.498 3.178 -19.178 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 -2.621 4.487 -18.543 1.00 1.00 H new ATOM 322 N ASP A 20 -4.187 5.927 -14.453 1.00 1.00 N ATOM 323 CA ASP A 20 -3.158 6.859 -14.891 1.00 1.00 C ATOM 324 C ASP A 20 -2.635 7.688 -13.716 1.00 1.00 C ATOM 325 O ASP A 20 -1.438 7.948 -13.602 1.00 1.00 O ATOM 326 CB ASP A 20 -3.736 7.789 -15.960 1.00 1.00 C ATOM 327 CG ASP A 20 -2.657 8.744 -16.457 1.00 1.00 C ATOM 328 OD1 ASP A 20 -1.496 8.479 -16.191 1.00 1.00 O ATOM 329 OD2 ASP A 20 -3.005 9.726 -17.091 1.00 1.00 O ATOM 0 H ASP A 20 -5.134 6.160 -14.751 1.00 1.00 H new ATOM 0 HA ASP A 20 -2.327 6.289 -15.305 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -4.126 7.203 -16.792 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -4.572 8.354 -15.549 1.00 1.00 H new ATOM 334 N GLU A 21 -3.559 8.120 -12.862 1.00 1.00 N ATOM 335 CA GLU A 21 -3.208 8.959 -11.711 1.00 1.00 C ATOM 336 C GLU A 21 -2.452 8.201 -10.620 1.00 1.00 C ATOM 337 O GLU A 21 -1.478 8.719 -10.072 1.00 1.00 O ATOM 338 CB GLU A 21 -4.469 9.569 -11.097 1.00 1.00 C ATOM 339 CG GLU A 21 -5.082 10.592 -12.058 1.00 1.00 C ATOM 340 CD GLU A 21 -6.387 11.126 -11.477 1.00 1.00 C ATOM 341 OE1 GLU A 21 -6.737 10.711 -10.384 1.00 1.00 O ATOM 342 OE2 GLU A 21 -7.014 11.946 -12.128 1.00 1.00 O ATOM 0 H GLU A 21 -4.553 7.906 -12.941 1.00 1.00 H new ATOM 0 HA GLU A 21 -2.547 9.736 -12.095 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -5.193 8.784 -10.879 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -4.225 10.049 -10.149 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -4.384 11.413 -12.224 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -5.267 10.129 -13.027 1.00 1.00 H new ATOM 349 N ALA A 22 -2.916 7.001 -10.276 1.00 1.00 N ATOM 350 CA ALA A 22 -2.272 6.230 -9.215 1.00 1.00 C ATOM 351 C ALA A 22 -0.813 5.963 -9.560 1.00 1.00 C ATOM 352 O ALA A 22 0.077 6.142 -8.731 1.00 1.00 O ATOM 353 CB ALA A 22 -3.002 4.896 -9.021 1.00 1.00 C ATOM 0 H ALA A 22 -3.721 6.548 -10.708 1.00 1.00 H new ATOM 0 HA ALA A 22 -2.318 6.808 -8.292 1.00 1.00 H new ATOM 0 HB1 ALA A 22 -2.516 4.327 -8.228 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -4.040 5.086 -8.747 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -2.970 4.325 -9.949 1.00 1.00 H new ATOM 359 N LYS A 23 -0.586 5.541 -10.797 1.00 1.00 N ATOM 360 CA LYS A 23 0.749 5.249 -11.283 1.00 1.00 C ATOM 361 C LYS A 23 1.608 6.503 -11.268 1.00 1.00 C ATOM 362 O LYS A 23 2.780 6.461 -10.898 1.00 1.00 O ATOM 363 CB LYS A 23 0.640 4.738 -12.714 1.00 1.00 C ATOM 364 CG LYS A 23 -0.030 3.366 -12.717 1.00 1.00 C ATOM 365 CD LYS A 23 -0.268 2.939 -14.161 1.00 1.00 C ATOM 366 CE LYS A 23 -0.933 1.561 -14.182 1.00 1.00 C ATOM 367 NZ LYS A 23 0.055 0.522 -13.777 1.00 1.00 N ATOM 0 H LYS A 23 -1.322 5.393 -11.487 1.00 1.00 H new ATOM 0 HA LYS A 23 1.211 4.501 -10.639 1.00 1.00 H new ATOM 0 HB2 LYS A 23 0.062 5.438 -13.318 1.00 1.00 H new ATOM 0 HB3 LYS A 23 1.631 4.671 -13.164 1.00 1.00 H new ATOM 0 HG2 LYS A 23 0.600 2.637 -12.207 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -0.975 3.406 -12.175 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -0.901 3.668 -14.667 1.00 1.00 H new ATOM 0 HD3 LYS A 23 0.677 2.907 -14.703 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -1.787 1.548 -13.505 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -1.314 1.345 -15.180 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -0.307 -0.419 -14.031 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 0.956 0.690 -14.268 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 0.206 0.569 -12.749 1.00 1.00 H new ATOM 381 N ALA A 24 1.017 7.617 -11.691 1.00 1.00 N ATOM 382 CA ALA A 24 1.738 8.879 -11.735 1.00 1.00 C ATOM 383 C ALA A 24 2.177 9.286 -10.336 1.00 1.00 C ATOM 384 O ALA A 24 3.298 9.740 -10.141 1.00 1.00 O ATOM 385 CB ALA A 24 0.845 9.968 -12.328 1.00 1.00 C ATOM 0 H ALA A 24 0.048 7.669 -12.005 1.00 1.00 H new ATOM 0 HA ALA A 24 2.621 8.754 -12.361 1.00 1.00 H new ATOM 0 HB1 ALA A 24 1.392 10.911 -12.358 1.00 1.00 H new ATOM 0 HB2 ALA A 24 0.551 9.687 -13.339 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -0.046 10.085 -11.710 1.00 1.00 H new ATOM 391 N MET A 25 1.289 9.108 -9.362 1.00 1.00 N ATOM 392 CA MET A 25 1.593 9.445 -7.985 1.00 1.00 C ATOM 393 C MET A 25 2.697 8.544 -7.436 1.00 1.00 C ATOM 394 O MET A 25 3.631 9.021 -6.812 1.00 1.00 O ATOM 395 CB MET A 25 0.287 9.332 -7.166 1.00 1.00 C ATOM 396 CG MET A 25 0.547 8.895 -5.725 1.00 1.00 C ATOM 397 SD MET A 25 1.796 9.960 -4.963 1.00 1.00 S ATOM 398 CE MET A 25 0.662 11.233 -4.357 1.00 1.00 C ATOM 0 H MET A 25 0.352 8.731 -9.507 1.00 1.00 H new ATOM 0 HA MET A 25 1.971 10.465 -7.916 1.00 1.00 H new ATOM 0 HB2 MET A 25 -0.224 10.295 -7.166 1.00 1.00 H new ATOM 0 HB3 MET A 25 -0.381 8.617 -7.646 1.00 1.00 H new ATOM 0 HG2 MET A 25 -0.379 8.940 -5.151 1.00 1.00 H new ATOM 0 HG3 MET A 25 0.883 7.858 -5.707 1.00 1.00 H new ATOM 0 HE1 MET A 25 1.231 12.027 -3.873 1.00 1.00 H new ATOM 0 HE2 MET A 25 0.100 11.648 -5.194 1.00 1.00 H new ATOM 0 HE3 MET A 25 -0.029 10.792 -3.639 1.00 1.00 H new ATOM 408 N ILE A 26 2.577 7.250 -7.682 1.00 1.00 N ATOM 409 CA ILE A 26 3.560 6.286 -7.204 1.00 1.00 C ATOM 410 C ILE A 26 4.931 6.550 -7.829 1.00 1.00 C ATOM 411 O ILE A 26 5.955 6.524 -7.147 1.00 1.00 O ATOM 412 CB ILE A 26 3.062 4.894 -7.584 1.00 1.00 C ATOM 413 CG1 ILE A 26 1.799 4.589 -6.773 1.00 1.00 C ATOM 414 CG2 ILE A 26 4.132 3.843 -7.265 1.00 1.00 C ATOM 415 CD1 ILE A 26 1.089 3.397 -7.397 1.00 1.00 C ATOM 0 H ILE A 26 1.807 6.840 -8.211 1.00 1.00 H new ATOM 0 HA ILE A 26 3.675 6.371 -6.123 1.00 1.00 H new ATOM 0 HB ILE A 26 2.846 4.864 -8.652 1.00 1.00 H new ATOM 0 HG12 ILE A 26 2.059 4.373 -5.737 1.00 1.00 H new ATOM 0 HG13 ILE A 26 1.140 5.457 -6.761 1.00 1.00 H new ATOM 0 HG21 ILE A 26 3.765 2.854 -7.541 1.00 1.00 H new ATOM 0 HG22 ILE A 26 5.038 4.064 -7.829 1.00 1.00 H new ATOM 0 HG23 ILE A 26 4.355 3.863 -6.198 1.00 1.00 H new ATOM 0 HD11 ILE A 26 0.188 3.171 -6.827 1.00 1.00 H new ATOM 0 HD12 ILE A 26 0.818 3.633 -8.426 1.00 1.00 H new ATOM 0 HD13 ILE A 26 1.752 2.532 -7.386 1.00 1.00 H new ATOM 427 N GLU A 27 4.943 6.798 -9.129 1.00 1.00 N ATOM 428 CA GLU A 27 6.191 7.066 -9.835 1.00 1.00 C ATOM 429 C GLU A 27 6.765 8.435 -9.455 1.00 1.00 C ATOM 430 O GLU A 27 7.982 8.622 -9.435 1.00 1.00 O ATOM 431 CB GLU A 27 5.963 6.985 -11.343 1.00 1.00 C ATOM 432 CG GLU A 27 5.661 5.530 -11.716 1.00 1.00 C ATOM 433 CD GLU A 27 5.329 5.424 -13.201 1.00 1.00 C ATOM 434 OE1 GLU A 27 5.400 6.437 -13.878 1.00 1.00 O ATOM 435 OE2 GLU A 27 5.019 4.329 -13.641 1.00 1.00 O ATOM 0 H GLU A 27 4.109 6.820 -9.716 1.00 1.00 H new ATOM 0 HA GLU A 27 6.918 6.309 -9.541 1.00 1.00 H new ATOM 0 HB2 GLU A 27 5.134 7.630 -11.635 1.00 1.00 H new ATOM 0 HB3 GLU A 27 6.845 7.337 -11.878 1.00 1.00 H new ATOM 0 HG2 GLU A 27 6.520 4.901 -11.482 1.00 1.00 H new ATOM 0 HG3 GLU A 27 4.825 5.161 -11.122 1.00 1.00 H new ATOM 442 N LYS A 28 5.883 9.393 -9.174 1.00 1.00 N ATOM 443 CA LYS A 28 6.320 10.744 -8.818 1.00 1.00 C ATOM 444 C LYS A 28 7.200 10.732 -7.574 1.00 1.00 C ATOM 445 O LYS A 28 8.260 11.354 -7.552 1.00 1.00 O ATOM 446 CB LYS A 28 5.096 11.630 -8.564 1.00 1.00 C ATOM 447 CG LYS A 28 5.543 13.071 -8.287 1.00 1.00 C ATOM 448 CD LYS A 28 4.311 13.989 -8.154 1.00 1.00 C ATOM 449 CE LYS A 28 3.912 14.537 -9.530 1.00 1.00 C ATOM 450 NZ LYS A 28 4.931 15.519 -9.995 1.00 1.00 N ATOM 0 H LYS A 28 4.871 9.262 -9.185 1.00 1.00 H new ATOM 0 HA LYS A 28 6.904 11.140 -9.648 1.00 1.00 H new ATOM 0 HB2 LYS A 28 4.433 11.606 -9.429 1.00 1.00 H new ATOM 0 HB3 LYS A 28 4.528 11.247 -7.716 1.00 1.00 H new ATOM 0 HG2 LYS A 28 6.134 13.108 -7.372 1.00 1.00 H new ATOM 0 HG3 LYS A 28 6.184 13.423 -9.095 1.00 1.00 H new ATOM 0 HD2 LYS A 28 3.479 13.434 -7.720 1.00 1.00 H new ATOM 0 HD3 LYS A 28 4.533 14.813 -7.476 1.00 1.00 H new ATOM 0 HE2 LYS A 28 3.827 13.720 -10.247 1.00 1.00 H new ATOM 0 HE3 LYS A 28 2.933 15.014 -9.472 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 4.490 16.191 -10.654 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 5.313 16.036 -9.178 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 5.703 15.016 -10.478 1.00 1.00 H new ATOM 464 N LEU A 29 6.767 10.027 -6.536 1.00 1.00 N ATOM 465 CA LEU A 29 7.554 9.968 -5.309 1.00 1.00 C ATOM 466 C LEU A 29 8.872 9.289 -5.613 1.00 1.00 C ATOM 467 O LEU A 29 9.929 9.652 -5.094 1.00 1.00 O ATOM 468 CB LEU A 29 6.846 9.132 -4.238 1.00 1.00 C ATOM 469 CG LEU A 29 5.370 9.514 -4.117 1.00 1.00 C ATOM 470 CD1 LEU A 29 4.798 8.986 -2.802 1.00 1.00 C ATOM 471 CD2 LEU A 29 5.192 11.022 -4.165 1.00 1.00 C ATOM 0 H LEU A 29 5.895 9.499 -6.516 1.00 1.00 H new ATOM 0 HA LEU A 29 7.693 10.985 -4.943 1.00 1.00 H new ATOM 0 HB2 LEU A 29 6.930 8.074 -4.486 1.00 1.00 H new ATOM 0 HB3 LEU A 29 7.340 9.275 -3.277 1.00 1.00 H new ATOM 0 HG LEU A 29 4.839 9.068 -4.958 1.00 1.00 H new ATOM 0 HD11 LEU A 29 3.747 9.263 -2.725 1.00 1.00 H new ATOM 0 HD12 LEU A 29 4.890 7.900 -2.775 1.00 1.00 H new ATOM 0 HD13 LEU A 29 5.349 9.418 -1.966 1.00 1.00 H new ATOM 0 HD21 LEU A 29 4.133 11.266 -4.077 1.00 1.00 H new ATOM 0 HD22 LEU A 29 5.740 11.479 -3.341 1.00 1.00 H new ATOM 0 HD23 LEU A 29 5.575 11.404 -5.111 1.00 1.00 H new ATOM 483 N GLY A 30 8.762 8.256 -6.430 1.00 1.00 N ATOM 484 CA GLY A 30 9.894 7.438 -6.813 1.00 1.00 C ATOM 485 C GLY A 30 9.498 5.974 -6.734 1.00 1.00 C ATOM 486 O GLY A 30 10.298 5.086 -7.027 1.00 1.00 O ATOM 0 H GLY A 30 7.879 7.962 -6.847 1.00 1.00 H new ATOM 0 HA2 GLY A 30 10.213 7.687 -7.825 1.00 1.00 H new ATOM 0 HA3 GLY A 30 10.740 7.635 -6.155 1.00 1.00 H new ATOM 490 N GLY A 31 8.250 5.737 -6.323 1.00 1.00 N ATOM 491 CA GLY A 31 7.744 4.381 -6.195 1.00 1.00 C ATOM 492 C GLY A 31 7.756 3.643 -7.526 1.00 1.00 C ATOM 493 O GLY A 31 7.565 4.235 -8.588 1.00 1.00 O ATOM 0 H GLY A 31 7.580 6.465 -6.076 1.00 1.00 H new ATOM 0 HA2 GLY A 31 8.349 3.835 -5.471 1.00 1.00 H new ATOM 0 HA3 GLY A 31 6.727 4.408 -5.804 1.00 1.00 H new ATOM 497 N LYS A 32 7.986 2.334 -7.443 1.00 1.00 N ATOM 498 CA LYS A 32 8.035 1.469 -8.616 1.00 1.00 C ATOM 499 C LYS A 32 7.101 0.279 -8.439 1.00 1.00 C ATOM 500 O LYS A 32 6.897 -0.202 -7.324 1.00 1.00 O ATOM 501 CB LYS A 32 9.457 0.939 -8.803 1.00 1.00 C ATOM 502 CG LYS A 32 10.406 2.075 -9.203 1.00 1.00 C ATOM 503 CD LYS A 32 11.846 1.549 -9.261 1.00 1.00 C ATOM 504 CE LYS A 32 12.060 0.732 -10.542 1.00 1.00 C ATOM 505 NZ LYS A 32 13.508 0.408 -10.681 1.00 1.00 N ATOM 0 H LYS A 32 8.143 1.846 -6.561 1.00 1.00 H new ATOM 0 HA LYS A 32 7.727 2.051 -9.485 1.00 1.00 H new ATOM 0 HB2 LYS A 32 9.803 0.477 -7.879 1.00 1.00 H new ATOM 0 HB3 LYS A 32 9.465 0.164 -9.570 1.00 1.00 H new ATOM 0 HG2 LYS A 32 10.117 2.479 -10.173 1.00 1.00 H new ATOM 0 HG3 LYS A 32 10.335 2.891 -8.484 1.00 1.00 H new ATOM 0 HD2 LYS A 32 12.547 2.383 -9.231 1.00 1.00 H new ATOM 0 HD3 LYS A 32 12.050 0.930 -8.388 1.00 1.00 H new ATOM 0 HE2 LYS A 32 11.472 -0.185 -10.505 1.00 1.00 H new ATOM 0 HE3 LYS A 32 11.717 1.296 -11.409 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 13.658 -0.146 -11.548 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 14.057 1.289 -10.734 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 13.820 -0.146 -9.858 1.00 1.00 H new ATOM 519 N LEU A 33 6.558 -0.204 -9.549 1.00 1.00 N ATOM 520 CA LEU A 33 5.666 -1.364 -9.522 1.00 1.00 C ATOM 521 C LEU A 33 6.426 -2.585 -10.023 1.00 1.00 C ATOM 522 O LEU A 33 6.928 -2.589 -11.144 1.00 1.00 O ATOM 523 CB LEU A 33 4.455 -1.115 -10.423 1.00 1.00 C ATOM 524 CG LEU A 33 3.654 0.086 -9.901 1.00 1.00 C ATOM 525 CD1 LEU A 33 2.534 0.415 -10.894 1.00 1.00 C ATOM 526 CD2 LEU A 33 3.038 -0.243 -8.522 1.00 1.00 C ATOM 0 H LEU A 33 6.717 0.186 -10.478 1.00 1.00 H new ATOM 0 HA LEU A 33 5.321 -1.531 -8.502 1.00 1.00 H new ATOM 0 HB2 LEU A 33 4.784 -0.927 -11.445 1.00 1.00 H new ATOM 0 HB3 LEU A 33 3.822 -2.002 -10.449 1.00 1.00 H new ATOM 0 HG LEU A 33 4.320 0.942 -9.796 1.00 1.00 H new ATOM 0 HD11 LEU A 33 1.962 1.267 -10.528 1.00 1.00 H new ATOM 0 HD12 LEU A 33 2.968 0.659 -11.864 1.00 1.00 H new ATOM 0 HD13 LEU A 33 1.875 -0.447 -10.997 1.00 1.00 H new ATOM 0 HD21 LEU A 33 2.472 0.616 -8.162 1.00 1.00 H new ATOM 0 HD22 LEU A 33 2.373 -1.102 -8.616 1.00 1.00 H new ATOM 0 HD23 LEU A 33 3.834 -0.476 -7.814 1.00 1.00 H new ATOM 538 N THR A 34 6.506 -3.613 -9.182 1.00 1.00 N ATOM 539 CA THR A 34 7.216 -4.841 -9.544 1.00 1.00 C ATOM 540 C THR A 34 7.236 -5.797 -8.351 1.00 1.00 C ATOM 541 O THR A 34 7.043 -5.385 -7.206 1.00 1.00 O ATOM 542 CB THR A 34 8.653 -4.498 -10.001 1.00 1.00 C ATOM 543 OG1 THR A 34 8.636 -4.135 -11.372 1.00 1.00 O ATOM 544 CG2 THR A 34 9.600 -5.695 -9.825 1.00 1.00 C ATOM 0 H THR A 34 6.091 -3.623 -8.250 1.00 1.00 H new ATOM 0 HA THR A 34 6.700 -5.332 -10.369 1.00 1.00 H new ATOM 0 HB THR A 34 9.012 -3.674 -9.385 1.00 1.00 H new ATOM 0 HG1 THR A 34 7.760 -3.760 -11.600 1.00 1.00 H new ATOM 0 HG21 THR A 34 10.601 -5.419 -10.156 1.00 1.00 H new ATOM 0 HG22 THR A 34 9.632 -5.982 -8.774 1.00 1.00 H new ATOM 0 HG23 THR A 34 9.240 -6.534 -10.420 1.00 1.00 H new ATOM 552 N GLY A 35 7.487 -7.078 -8.626 1.00 1.00 N ATOM 553 CA GLY A 35 7.547 -8.097 -7.576 1.00 1.00 C ATOM 554 C GLY A 35 6.353 -9.039 -7.646 1.00 1.00 C ATOM 555 O GLY A 35 5.210 -8.598 -7.772 1.00 1.00 O ATOM 0 H GLY A 35 7.652 -7.435 -9.567 1.00 1.00 H new ATOM 0 HA2 GLY A 35 8.470 -8.669 -7.674 1.00 1.00 H new ATOM 0 HA3 GLY A 35 7.574 -7.614 -6.599 1.00 1.00 H new ATOM 559 N SER A 36 6.624 -10.340 -7.562 1.00 1.00 N ATOM 560 CA SER A 36 5.557 -11.330 -7.613 1.00 1.00 C ATOM 561 C SER A 36 4.592 -11.127 -6.452 1.00 1.00 C ATOM 562 O SER A 36 3.376 -11.198 -6.620 1.00 1.00 O ATOM 563 CB SER A 36 6.134 -12.743 -7.542 1.00 1.00 C ATOM 564 OG SER A 36 6.975 -12.970 -8.665 1.00 1.00 O ATOM 0 H SER A 36 7.562 -10.727 -7.460 1.00 1.00 H new ATOM 0 HA SER A 36 5.024 -11.205 -8.556 1.00 1.00 H new ATOM 0 HB2 SER A 36 6.700 -12.870 -6.619 1.00 1.00 H new ATOM 0 HB3 SER A 36 5.327 -13.476 -7.525 1.00 1.00 H new ATOM 0 HG SER A 36 7.346 -13.876 -8.618 1.00 1.00 H new ATOM 570 N ALA A 37 5.144 -10.877 -5.267 1.00 1.00 N ATOM 571 CA ALA A 37 4.321 -10.670 -4.084 1.00 1.00 C ATOM 572 C ALA A 37 5.173 -10.171 -2.911 1.00 1.00 C ATOM 573 O ALA A 37 5.187 -8.977 -2.609 1.00 1.00 O ATOM 574 CB ALA A 37 3.622 -11.979 -3.708 1.00 1.00 C ATOM 0 H ALA A 37 6.149 -10.814 -5.104 1.00 1.00 H new ATOM 0 HA ALA A 37 3.571 -9.911 -4.308 1.00 1.00 H new ATOM 0 HB1 ALA A 37 3.007 -11.821 -2.822 1.00 1.00 H new ATOM 0 HB2 ALA A 37 2.991 -12.305 -4.535 1.00 1.00 H new ATOM 0 HB3 ALA A 37 4.370 -12.744 -3.499 1.00 1.00 H new ATOM 580 N ASN A 38 5.878 -11.090 -2.256 1.00 1.00 N ATOM 581 CA ASN A 38 6.727 -10.736 -1.115 1.00 1.00 C ATOM 582 C ASN A 38 7.863 -9.804 -1.517 1.00 1.00 C ATOM 583 O ASN A 38 8.297 -8.975 -0.718 1.00 1.00 O ATOM 584 CB ASN A 38 7.289 -11.985 -0.438 1.00 1.00 C ATOM 585 CG ASN A 38 8.204 -11.579 0.717 1.00 1.00 C ATOM 586 OD1 ASN A 38 9.416 -11.787 0.650 1.00 1.00 O ATOM 587 ND2 ASN A 38 7.691 -11.001 1.775 1.00 1.00 N ATOM 0 H ASN A 38 5.880 -12.082 -2.492 1.00 1.00 H new ATOM 0 HA ASN A 38 6.093 -10.206 -0.404 1.00 1.00 H new ATOM 0 HB2 ASN A 38 6.474 -12.607 -0.067 1.00 1.00 H new ATOM 0 HB3 ASN A 38 7.844 -12.583 -1.161 1.00 1.00 H new ATOM 0 HD21 ASN A 38 8.296 -10.721 2.547 1.00 1.00 H new ATOM 0 HD22 ASN A 38 6.687 -10.831 1.826 1.00 1.00 H new ATOM 594 N LYS A 39 8.353 -9.948 -2.743 1.00 1.00 N ATOM 595 CA LYS A 39 9.450 -9.104 -3.201 1.00 1.00 C ATOM 596 C LYS A 39 9.093 -7.643 -2.957 1.00 1.00 C ATOM 597 O LYS A 39 9.965 -6.824 -2.662 1.00 1.00 O ATOM 598 CB LYS A 39 9.714 -9.314 -4.699 1.00 1.00 C ATOM 599 CG LYS A 39 10.086 -10.775 -5.029 1.00 1.00 C ATOM 600 CD LYS A 39 11.440 -11.166 -4.414 1.00 1.00 C ATOM 601 CE LYS A 39 11.763 -12.610 -4.798 1.00 1.00 C ATOM 602 NZ LYS A 39 13.125 -12.969 -4.305 1.00 1.00 N ATOM 0 H LYS A 39 8.016 -10.627 -3.426 1.00 1.00 H new ATOM 0 HA LYS A 39 10.350 -9.373 -2.647 1.00 1.00 H new ATOM 0 HB2 LYS A 39 8.827 -9.031 -5.265 1.00 1.00 H new ATOM 0 HB3 LYS A 39 10.521 -8.655 -5.019 1.00 1.00 H new ATOM 0 HG2 LYS A 39 9.309 -11.442 -4.655 1.00 1.00 H new ATOM 0 HG3 LYS A 39 10.125 -10.906 -6.110 1.00 1.00 H new ATOM 0 HD2 LYS A 39 12.223 -10.497 -4.772 1.00 1.00 H new ATOM 0 HD3 LYS A 39 11.404 -11.064 -3.329 1.00 1.00 H new ATOM 0 HE2 LYS A 39 11.021 -13.285 -4.370 1.00 1.00 H new ATOM 0 HE3 LYS A 39 11.715 -12.728 -5.881 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 13.341 -13.952 -4.568 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 13.828 -12.333 -4.733 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 13.156 -12.873 -3.270 1.00 1.00 H new ATOM 616 N ALA A 40 7.808 -7.326 -3.072 1.00 1.00 N ATOM 617 CA ALA A 40 7.340 -5.962 -2.852 1.00 1.00 C ATOM 618 C ALA A 40 7.559 -5.558 -1.399 1.00 1.00 C ATOM 619 O ALA A 40 7.807 -6.411 -0.547 1.00 1.00 O ATOM 620 CB ALA A 40 5.853 -5.869 -3.177 1.00 1.00 C ATOM 0 H ALA A 40 7.074 -7.992 -3.315 1.00 1.00 H new ATOM 0 HA ALA A 40 7.902 -5.291 -3.501 1.00 1.00 H new ATOM 0 HB1 ALA A 40 5.507 -4.849 -3.011 1.00 1.00 H new ATOM 0 HB2 ALA A 40 5.691 -6.142 -4.220 1.00 1.00 H new ATOM 0 HB3 ALA A 40 5.296 -6.550 -2.533 1.00 1.00 H new ATOM 626 N SER A 41 7.464 -4.260 -1.099 1.00 1.00 N ATOM 627 CA SER A 41 7.662 -3.817 0.277 1.00 1.00 C ATOM 628 C SER A 41 6.326 -3.689 0.981 1.00 1.00 C ATOM 629 O SER A 41 6.019 -4.447 1.900 1.00 1.00 O ATOM 630 CB SER A 41 8.371 -2.478 0.284 1.00 1.00 C ATOM 631 OG SER A 41 8.670 -2.104 1.623 1.00 1.00 O ATOM 0 H SER A 41 7.258 -3.520 -1.770 1.00 1.00 H new ATOM 0 HA SER A 41 8.271 -4.553 0.802 1.00 1.00 H new ATOM 0 HB2 SER A 41 9.289 -2.538 -0.301 1.00 1.00 H new ATOM 0 HB3 SER A 41 7.743 -1.720 -0.184 1.00 1.00 H new ATOM 0 HG SER A 41 9.130 -1.239 1.626 1.00 1.00 H new ATOM 637 N LEU A 42 5.543 -2.710 0.551 1.00 1.00 N ATOM 638 CA LEU A 42 4.234 -2.461 1.139 1.00 1.00 C ATOM 639 C LEU A 42 3.158 -2.456 0.057 1.00 1.00 C ATOM 640 O LEU A 42 3.162 -1.609 -0.836 1.00 1.00 O ATOM 641 CB LEU A 42 4.272 -1.116 1.855 1.00 1.00 C ATOM 642 CG LEU A 42 5.359 -1.141 2.948 1.00 1.00 C ATOM 643 CD1 LEU A 42 5.493 0.256 3.578 1.00 1.00 C ATOM 644 CD2 LEU A 42 4.994 -2.160 4.037 1.00 1.00 C ATOM 0 H LEU A 42 5.792 -2.073 -0.206 1.00 1.00 H new ATOM 0 HA LEU A 42 3.992 -3.251 1.850 1.00 1.00 H new ATOM 0 HB2 LEU A 42 4.478 -0.319 1.141 1.00 1.00 H new ATOM 0 HB3 LEU A 42 3.300 -0.902 2.300 1.00 1.00 H new ATOM 0 HG LEU A 42 6.307 -1.430 2.494 1.00 1.00 H new ATOM 0 HD11 LEU A 42 6.262 0.235 4.350 1.00 1.00 H new ATOM 0 HD12 LEU A 42 5.771 0.977 2.809 1.00 1.00 H new ATOM 0 HD13 LEU A 42 4.541 0.548 4.022 1.00 1.00 H new ATOM 0 HD21 LEU A 42 5.770 -2.168 4.803 1.00 1.00 H new ATOM 0 HD22 LEU A 42 4.041 -1.884 4.489 1.00 1.00 H new ATOM 0 HD23 LEU A 42 4.912 -3.152 3.594 1.00 1.00 H new ATOM 656 N CYS A 43 2.234 -3.406 0.155 1.00 1.00 N ATOM 657 CA CYS A 43 1.144 -3.515 -0.811 1.00 1.00 C ATOM 658 C CYS A 43 0.086 -2.461 -0.523 1.00 1.00 C ATOM 659 O CYS A 43 -0.196 -2.154 0.635 1.00 1.00 O ATOM 660 CB CYS A 43 0.509 -4.909 -0.753 1.00 1.00 C ATOM 661 SG CYS A 43 -1.033 -4.908 -1.704 1.00 1.00 S ATOM 0 H CYS A 43 2.217 -4.111 0.892 1.00 1.00 H new ATOM 0 HA CYS A 43 1.552 -3.356 -1.809 1.00 1.00 H new ATOM 0 HB2 CYS A 43 1.198 -5.651 -1.157 1.00 1.00 H new ATOM 0 HB3 CYS A 43 0.311 -5.188 0.282 1.00 1.00 H new ATOM 0 HG CYS A 43 -0.873 -4.211 -2.789 1.00 1.00 H new ATOM 667 N ILE A 44 -0.493 -1.896 -1.579 1.00 1.00 N ATOM 668 CA ILE A 44 -1.515 -0.869 -1.411 1.00 1.00 C ATOM 669 C ILE A 44 -2.899 -1.503 -1.376 1.00 1.00 C ATOM 670 O ILE A 44 -3.424 -1.963 -2.389 1.00 1.00 O ATOM 671 CB ILE A 44 -1.449 0.134 -2.573 1.00 1.00 C ATOM 672 CG1 ILE A 44 -0.081 0.849 -2.597 1.00 1.00 C ATOM 673 CG2 ILE A 44 -2.575 1.164 -2.434 1.00 1.00 C ATOM 674 CD1 ILE A 44 -0.032 2.002 -1.575 1.00 1.00 C ATOM 0 H ILE A 44 -0.275 -2.128 -2.548 1.00 1.00 H new ATOM 0 HA ILE A 44 -1.332 -0.350 -0.470 1.00 1.00 H new ATOM 0 HB ILE A 44 -1.571 -0.410 -3.510 1.00 1.00 H new ATOM 0 HG12 ILE A 44 0.710 0.132 -2.377 1.00 1.00 H new ATOM 0 HG13 ILE A 44 0.110 1.238 -3.597 1.00 1.00 H new ATOM 0 HG21 ILE A 44 -2.524 1.873 -3.260 1.00 1.00 H new ATOM 0 HG22 ILE A 44 -3.538 0.655 -2.452 1.00 1.00 H new ATOM 0 HG23 ILE A 44 -2.465 1.698 -1.490 1.00 1.00 H new ATOM 0 HD11 ILE A 44 0.944 2.485 -1.617 1.00 1.00 H new ATOM 0 HD12 ILE A 44 -0.807 2.731 -1.811 1.00 1.00 H new ATOM 0 HD13 ILE A 44 -0.198 1.607 -0.573 1.00 1.00 H new ATOM 686 N SER A 45 -3.482 -1.510 -0.188 1.00 1.00 N ATOM 687 CA SER A 45 -4.814 -2.072 0.011 1.00 1.00 C ATOM 688 C SER A 45 -5.502 -1.376 1.171 1.00 1.00 C ATOM 689 O SER A 45 -4.908 -1.172 2.231 1.00 1.00 O ATOM 690 CB SER A 45 -4.717 -3.573 0.284 1.00 1.00 C ATOM 691 OG SER A 45 -5.935 -4.029 0.850 1.00 1.00 O ATOM 0 H SER A 45 -3.054 -1.132 0.657 1.00 1.00 H new ATOM 0 HA SER A 45 -5.401 -1.917 -0.894 1.00 1.00 H new ATOM 0 HB2 SER A 45 -4.510 -4.110 -0.642 1.00 1.00 H new ATOM 0 HB3 SER A 45 -3.889 -3.778 0.963 1.00 1.00 H new ATOM 0 HG SER A 45 -5.875 -4.991 1.024 1.00 1.00 H new ATOM 697 N THR A 46 -6.765 -1.025 0.970 1.00 1.00 N ATOM 698 CA THR A 46 -7.541 -0.357 2.005 1.00 1.00 C ATOM 699 C THR A 46 -8.201 -1.389 2.903 1.00 1.00 C ATOM 700 O THR A 46 -8.263 -2.568 2.562 1.00 1.00 O ATOM 701 CB THR A 46 -8.616 0.532 1.374 1.00 1.00 C ATOM 702 OG1 THR A 46 -9.380 -0.228 0.448 1.00 1.00 O ATOM 703 CG2 THR A 46 -7.949 1.699 0.645 1.00 1.00 C ATOM 0 H THR A 46 -7.273 -1.191 0.101 1.00 1.00 H new ATOM 0 HA THR A 46 -6.869 0.264 2.597 1.00 1.00 H new ATOM 0 HB THR A 46 -9.271 0.916 2.156 1.00 1.00 H new ATOM 0 HG1 THR A 46 -10.069 0.342 0.046 1.00 1.00 H new ATOM 0 HG21 THR A 46 -8.714 2.332 0.196 1.00 1.00 H new ATOM 0 HG22 THR A 46 -7.364 2.284 1.354 1.00 1.00 H new ATOM 0 HG23 THR A 46 -7.293 1.313 -0.135 1.00 1.00 H new ATOM 711 N LYS A 47 -8.706 -0.934 4.039 1.00 1.00 N ATOM 712 CA LYS A 47 -9.372 -1.831 4.978 1.00 1.00 C ATOM 713 C LYS A 47 -10.495 -2.569 4.273 1.00 1.00 C ATOM 714 O LYS A 47 -10.655 -3.768 4.462 1.00 1.00 O ATOM 715 CB LYS A 47 -9.901 -1.020 6.170 1.00 1.00 C ATOM 716 CG LYS A 47 -10.728 -1.865 7.159 1.00 1.00 C ATOM 717 CD LYS A 47 -10.007 -3.147 7.592 1.00 1.00 C ATOM 718 CE LYS A 47 -8.682 -2.824 8.281 1.00 1.00 C ATOM 719 NZ LYS A 47 -8.131 -4.071 8.882 1.00 1.00 N ATOM 0 H LYS A 47 -8.670 0.042 4.334 1.00 1.00 H new ATOM 0 HA LYS A 47 -8.664 -2.571 5.352 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -9.060 -0.573 6.699 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -10.516 -0.200 5.799 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -10.955 -1.266 8.041 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -11.680 -2.127 6.698 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -10.644 -3.716 8.269 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -9.824 -3.777 6.722 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -7.976 -2.408 7.562 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -8.833 -2.069 9.053 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -7.228 -3.860 9.353 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -8.805 -4.448 9.578 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -7.974 -4.777 8.134 1.00 1.00 H new ATOM 733 N LYS A 48 -11.236 -1.857 3.433 1.00 1.00 N ATOM 734 CA LYS A 48 -12.328 -2.460 2.677 1.00 1.00 C ATOM 735 C LYS A 48 -11.828 -3.663 1.883 1.00 1.00 C ATOM 736 O LYS A 48 -12.480 -4.700 1.851 1.00 1.00 O ATOM 737 CB LYS A 48 -12.916 -1.431 1.705 1.00 1.00 C ATOM 738 CG LYS A 48 -14.128 -2.029 0.981 1.00 1.00 C ATOM 739 CD LYS A 48 -14.715 -0.983 0.029 1.00 1.00 C ATOM 740 CE LYS A 48 -15.935 -1.566 -0.687 1.00 1.00 C ATOM 741 NZ LYS A 48 -16.981 -1.902 0.321 1.00 1.00 N ATOM 0 H LYS A 48 -11.101 -0.861 3.258 1.00 1.00 H new ATOM 0 HA LYS A 48 -13.094 -2.787 3.380 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -13.212 -0.533 2.248 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -12.160 -1.130 0.979 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -13.832 -2.918 0.425 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -14.881 -2.342 1.705 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -15.000 -0.090 0.585 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -13.964 -0.678 -0.700 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -16.326 -0.848 -1.408 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -15.652 -2.458 -1.246 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -17.911 -1.938 -0.143 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -16.769 -2.828 0.746 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -16.993 -1.175 1.064 1.00 1.00 H new ATOM 755 N GLU A 49 -10.674 -3.529 1.245 1.00 1.00 N ATOM 756 CA GLU A 49 -10.136 -4.641 0.470 1.00 1.00 C ATOM 757 C GLU A 49 -9.783 -5.796 1.404 1.00 1.00 C ATOM 758 O GLU A 49 -9.972 -6.965 1.070 1.00 1.00 O ATOM 759 CB GLU A 49 -8.889 -4.196 -0.287 1.00 1.00 C ATOM 760 CG GLU A 49 -9.255 -3.135 -1.326 1.00 1.00 C ATOM 761 CD GLU A 49 -7.998 -2.711 -2.077 1.00 1.00 C ATOM 762 OE1 GLU A 49 -6.966 -3.316 -1.842 1.00 1.00 O ATOM 763 OE2 GLU A 49 -8.086 -1.789 -2.870 1.00 1.00 O ATOM 0 H GLU A 49 -10.103 -2.684 1.246 1.00 1.00 H new ATOM 0 HA GLU A 49 -10.889 -4.971 -0.246 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -8.154 -3.794 0.411 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -8.427 -5.053 -0.778 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -9.993 -3.532 -2.023 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -9.709 -2.273 -0.838 1.00 1.00 H new ATOM 770 N VAL A 50 -9.271 -5.456 2.582 1.00 1.00 N ATOM 771 CA VAL A 50 -8.908 -6.476 3.565 1.00 1.00 C ATOM 772 C VAL A 50 -10.164 -7.219 4.035 1.00 1.00 C ATOM 773 O VAL A 50 -10.083 -8.350 4.502 1.00 1.00 O ATOM 774 CB VAL A 50 -8.233 -5.845 4.787 1.00 1.00 C ATOM 775 CG1 VAL A 50 -7.815 -6.943 5.768 1.00 1.00 C ATOM 776 CG2 VAL A 50 -6.995 -5.036 4.374 1.00 1.00 C ATOM 0 H VAL A 50 -9.099 -4.496 2.879 1.00 1.00 H new ATOM 0 HA VAL A 50 -8.214 -7.167 3.087 1.00 1.00 H new ATOM 0 HB VAL A 50 -8.947 -5.172 5.263 1.00 1.00 H new ATOM 0 HG11 VAL A 50 -7.335 -6.492 6.636 1.00 1.00 H new ATOM 0 HG12 VAL A 50 -8.696 -7.499 6.088 1.00 1.00 H new ATOM 0 HG13 VAL A 50 -7.116 -7.621 5.279 1.00 1.00 H new ATOM 0 HG21 VAL A 50 -6.534 -4.598 5.260 1.00 1.00 H new ATOM 0 HG22 VAL A 50 -6.279 -5.693 3.880 1.00 1.00 H new ATOM 0 HG23 VAL A 50 -7.291 -4.241 3.689 1.00 1.00 H new ATOM 786 N GLU A 51 -11.332 -6.581 3.911 1.00 1.00 N ATOM 787 CA GLU A 51 -12.577 -7.221 4.334 1.00 1.00 C ATOM 788 C GLU A 51 -12.875 -8.400 3.425 1.00 1.00 C ATOM 789 O GLU A 51 -13.425 -9.419 3.844 1.00 1.00 O ATOM 790 CB GLU A 51 -13.756 -6.234 4.247 1.00 1.00 C ATOM 791 CG GLU A 51 -13.538 -5.042 5.188 1.00 1.00 C ATOM 792 CD GLU A 51 -14.724 -4.087 5.099 1.00 1.00 C ATOM 793 OE1 GLU A 51 -15.673 -4.414 4.404 1.00 1.00 O ATOM 794 OE2 GLU A 51 -14.664 -3.040 5.720 1.00 1.00 O ATOM 0 H GLU A 51 -11.440 -5.641 3.529 1.00 1.00 H new ATOM 0 HA GLU A 51 -12.456 -7.551 5.366 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -13.864 -5.879 3.222 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -14.683 -6.744 4.507 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -13.419 -5.394 6.213 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -12.619 -4.520 4.921 1.00 1.00 H new ATOM 801 N LYS A 52 -12.542 -8.207 2.162 1.00 1.00 N ATOM 802 CA LYS A 52 -12.797 -9.186 1.117 1.00 1.00 C ATOM 803 C LYS A 52 -12.054 -10.497 1.340 1.00 1.00 C ATOM 804 O LYS A 52 -12.603 -11.574 1.106 1.00 1.00 O ATOM 805 CB LYS A 52 -12.346 -8.588 -0.208 1.00 1.00 C ATOM 806 CG LYS A 52 -13.010 -7.226 -0.345 1.00 1.00 C ATOM 807 CD LYS A 52 -12.751 -6.641 -1.728 1.00 1.00 C ATOM 808 CE LYS A 52 -13.470 -5.296 -1.828 1.00 1.00 C ATOM 809 NZ LYS A 52 -13.293 -4.741 -3.201 1.00 1.00 N ATOM 0 H LYS A 52 -12.083 -7.360 1.828 1.00 1.00 H new ATOM 0 HA LYS A 52 -13.863 -9.414 1.123 1.00 1.00 H new ATOM 0 HB2 LYS A 52 -11.261 -8.490 -0.235 1.00 1.00 H new ATOM 0 HB3 LYS A 52 -12.628 -9.237 -1.037 1.00 1.00 H new ATOM 0 HG2 LYS A 52 -14.083 -7.320 -0.179 1.00 1.00 H new ATOM 0 HG3 LYS A 52 -12.627 -6.550 0.420 1.00 1.00 H new ATOM 0 HD2 LYS A 52 -11.681 -6.511 -1.890 1.00 1.00 H new ATOM 0 HD3 LYS A 52 -13.110 -7.321 -2.500 1.00 1.00 H new ATOM 0 HE2 LYS A 52 -14.530 -5.421 -1.608 1.00 1.00 H new ATOM 0 HE3 LYS A 52 -13.071 -4.602 -1.089 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 -13.782 -3.826 -3.271 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 -12.280 -4.608 -3.394 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 -13.694 -5.402 -3.897 1.00 1.00 H new ATOM 823 N MET A 53 -10.793 -10.413 1.744 1.00 1.00 N ATOM 824 CA MET A 53 -10.001 -11.625 1.929 1.00 1.00 C ATOM 825 C MET A 53 -10.094 -12.472 0.664 1.00 1.00 C ATOM 826 O MET A 53 -10.286 -13.688 0.722 1.00 1.00 O ATOM 827 CB MET A 53 -10.516 -12.428 3.127 1.00 1.00 C ATOM 828 CG MET A 53 -10.218 -11.677 4.425 1.00 1.00 C ATOM 829 SD MET A 53 -8.469 -11.907 4.847 1.00 1.00 S ATOM 830 CE MET A 53 -8.025 -10.170 5.090 1.00 1.00 C ATOM 0 H MET A 53 -10.304 -9.541 1.946 1.00 1.00 H new ATOM 0 HA MET A 53 -8.964 -11.350 2.121 1.00 1.00 H new ATOM 0 HB2 MET A 53 -11.589 -12.593 3.031 1.00 1.00 H new ATOM 0 HB3 MET A 53 -10.043 -13.410 3.148 1.00 1.00 H new ATOM 0 HG2 MET A 53 -10.441 -10.617 4.307 1.00 1.00 H new ATOM 0 HG3 MET A 53 -10.852 -12.049 5.230 1.00 1.00 H new ATOM 0 HE1 MET A 53 -7.029 -10.107 5.529 1.00 1.00 H new ATOM 0 HE2 MET A 53 -8.031 -9.655 4.129 1.00 1.00 H new ATOM 0 HE3 MET A 53 -8.747 -9.700 5.758 1.00 1.00 H new ATOM 840 N SER A 54 -9.955 -11.805 -0.478 1.00 1.00 N ATOM 841 CA SER A 54 -10.028 -12.472 -1.775 1.00 1.00 C ATOM 842 C SER A 54 -8.776 -13.305 -2.025 1.00 1.00 C ATOM 843 O SER A 54 -7.846 -13.299 -1.218 1.00 1.00 O ATOM 844 CB SER A 54 -10.183 -11.429 -2.883 1.00 1.00 C ATOM 845 OG SER A 54 -8.895 -10.977 -3.285 1.00 1.00 O ATOM 0 H SER A 54 -9.791 -10.800 -0.532 1.00 1.00 H new ATOM 0 HA SER A 54 -10.892 -13.137 -1.775 1.00 1.00 H new ATOM 0 HB2 SER A 54 -10.712 -11.860 -3.733 1.00 1.00 H new ATOM 0 HB3 SER A 54 -10.781 -10.590 -2.528 1.00 1.00 H new ATOM 0 HG SER A 54 -8.990 -10.310 -3.996 1.00 1.00 H new ATOM 851 N LYS A 55 -8.765 -14.027 -3.141 1.00 1.00 N ATOM 852 CA LYS A 55 -7.628 -14.872 -3.483 1.00 1.00 C ATOM 853 C LYS A 55 -6.362 -14.032 -3.584 1.00 1.00 C ATOM 854 O LYS A 55 -5.307 -14.440 -3.107 1.00 1.00 O ATOM 855 CB LYS A 55 -7.887 -15.593 -4.808 1.00 1.00 C ATOM 856 CG LYS A 55 -8.995 -16.626 -4.605 1.00 1.00 C ATOM 857 CD LYS A 55 -9.278 -17.367 -5.914 1.00 1.00 C ATOM 858 CE LYS A 55 -10.435 -18.345 -5.696 1.00 1.00 C ATOM 859 NZ LYS A 55 -10.002 -19.424 -4.764 1.00 1.00 N ATOM 0 H LYS A 55 -9.526 -14.044 -3.820 1.00 1.00 H new ATOM 0 HA LYS A 55 -7.495 -15.616 -2.697 1.00 1.00 H new ATOM 0 HB2 LYS A 55 -8.177 -14.876 -5.576 1.00 1.00 H new ATOM 0 HB3 LYS A 55 -6.976 -16.081 -5.155 1.00 1.00 H new ATOM 0 HG2 LYS A 55 -8.701 -17.337 -3.833 1.00 1.00 H new ATOM 0 HG3 LYS A 55 -9.902 -16.132 -4.255 1.00 1.00 H new ATOM 0 HD2 LYS A 55 -9.530 -16.657 -6.701 1.00 1.00 H new ATOM 0 HD3 LYS A 55 -8.388 -17.904 -6.242 1.00 1.00 H new ATOM 0 HE2 LYS A 55 -11.297 -17.820 -5.286 1.00 1.00 H new ATOM 0 HE3 LYS A 55 -10.747 -18.775 -6.648 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 -10.658 -20.228 -4.835 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 -9.043 -19.737 -5.017 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 -10.002 -19.062 -3.789 1.00 1.00 H new ATOM 873 N LYS A 56 -6.475 -12.850 -4.177 1.00 1.00 N ATOM 874 CA LYS A 56 -5.327 -11.962 -4.293 1.00 1.00 C ATOM 875 C LYS A 56 -4.840 -11.592 -2.899 1.00 1.00 C ATOM 876 O LYS A 56 -3.636 -11.551 -2.645 1.00 1.00 O ATOM 877 CB LYS A 56 -5.698 -10.693 -5.076 1.00 1.00 C ATOM 878 CG LYS A 56 -6.110 -11.027 -6.528 1.00 1.00 C ATOM 879 CD LYS A 56 -4.918 -11.545 -7.353 1.00 1.00 C ATOM 880 CE LYS A 56 -5.380 -11.828 -8.783 1.00 1.00 C ATOM 881 NZ LYS A 56 -4.229 -12.355 -9.568 1.00 1.00 N ATOM 0 H LYS A 56 -7.339 -12.488 -4.580 1.00 1.00 H new ATOM 0 HA LYS A 56 -4.533 -12.475 -4.836 1.00 1.00 H new ATOM 0 HB2 LYS A 56 -6.517 -10.179 -4.573 1.00 1.00 H new ATOM 0 HB3 LYS A 56 -4.850 -10.008 -5.085 1.00 1.00 H new ATOM 0 HG2 LYS A 56 -6.900 -11.778 -6.519 1.00 1.00 H new ATOM 0 HG3 LYS A 56 -6.522 -10.137 -7.003 1.00 1.00 H new ATOM 0 HD2 LYS A 56 -4.115 -10.808 -7.357 1.00 1.00 H new ATOM 0 HD3 LYS A 56 -4.515 -12.452 -6.902 1.00 1.00 H new ATOM 0 HE2 LYS A 56 -6.196 -12.551 -8.779 1.00 1.00 H new ATOM 0 HE3 LYS A 56 -5.764 -10.917 -9.242 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 -4.534 -12.551 -10.543 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 -3.465 -11.650 -9.579 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 -3.884 -13.233 -9.131 1.00 1.00 H new ATOM 895 N MET A 57 -5.778 -11.348 -1.989 1.00 1.00 N ATOM 896 CA MET A 57 -5.421 -11.003 -0.622 1.00 1.00 C ATOM 897 C MET A 57 -4.636 -12.146 0.010 1.00 1.00 C ATOM 898 O MET A 57 -3.682 -11.917 0.755 1.00 1.00 O ATOM 899 CB MET A 57 -6.704 -10.700 0.195 1.00 1.00 C ATOM 900 CG MET A 57 -6.506 -9.435 1.036 1.00 1.00 C ATOM 901 SD MET A 57 -5.005 -9.611 2.030 1.00 1.00 S ATOM 902 CE MET A 57 -5.534 -11.020 3.040 1.00 1.00 C ATOM 0 H MET A 57 -6.781 -11.383 -2.173 1.00 1.00 H new ATOM 0 HA MET A 57 -4.793 -10.112 -0.624 1.00 1.00 H new ATOM 0 HB2 MET A 57 -7.551 -10.569 -0.479 1.00 1.00 H new ATOM 0 HB3 MET A 57 -6.939 -11.544 0.843 1.00 1.00 H new ATOM 0 HG2 MET A 57 -6.427 -8.562 0.388 1.00 1.00 H new ATOM 0 HG3 MET A 57 -7.368 -9.275 1.683 1.00 1.00 H new ATOM 0 HE1 MET A 57 -5.340 -10.807 4.091 1.00 1.00 H new ATOM 0 HE2 MET A 57 -6.601 -11.191 2.896 1.00 1.00 H new ATOM 0 HE3 MET A 57 -4.980 -11.910 2.741 1.00 1.00 H new ATOM 912 N GLU A 58 -5.038 -13.377 -0.282 1.00 1.00 N ATOM 913 CA GLU A 58 -4.346 -14.528 0.280 1.00 1.00 C ATOM 914 C GLU A 58 -2.892 -14.547 -0.189 1.00 1.00 C ATOM 915 O GLU A 58 -1.999 -14.927 0.561 1.00 1.00 O ATOM 916 CB GLU A 58 -5.030 -15.831 -0.139 1.00 1.00 C ATOM 917 CG GLU A 58 -6.407 -15.929 0.523 1.00 1.00 C ATOM 918 CD GLU A 58 -7.124 -17.184 0.035 1.00 1.00 C ATOM 919 OE1 GLU A 58 -6.529 -17.919 -0.737 1.00 1.00 O ATOM 920 OE2 GLU A 58 -8.255 -17.391 0.440 1.00 1.00 O ATOM 0 H GLU A 58 -5.824 -13.601 -0.892 1.00 1.00 H new ATOM 0 HA GLU A 58 -4.379 -14.446 1.366 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -5.134 -15.865 -1.223 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -4.416 -16.684 0.149 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -6.299 -15.959 1.607 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -6.999 -15.045 0.286 1.00 1.00 H new ATOM 927 N GLU A 59 -2.662 -14.147 -1.438 1.00 1.00 N ATOM 928 CA GLU A 59 -1.310 -14.130 -1.989 1.00 1.00 C ATOM 929 C GLU A 59 -0.445 -13.152 -1.209 1.00 1.00 C ATOM 930 O GLU A 59 0.685 -13.464 -0.845 1.00 1.00 O ATOM 931 CB GLU A 59 -1.367 -13.679 -3.453 1.00 1.00 C ATOM 932 CG GLU A 59 -2.347 -14.571 -4.254 1.00 1.00 C ATOM 933 CD GLU A 59 -1.637 -15.786 -4.860 1.00 1.00 C ATOM 934 OE1 GLU A 59 -0.424 -15.748 -4.987 1.00 1.00 O ATOM 935 OE2 GLU A 59 -2.322 -16.738 -5.193 1.00 1.00 O ATOM 0 H GLU A 59 -3.388 -13.833 -2.082 1.00 1.00 H new ATOM 0 HA GLU A 59 -0.884 -15.131 -1.919 1.00 1.00 H new ATOM 0 HB2 GLU A 59 -1.685 -12.638 -3.507 1.00 1.00 H new ATOM 0 HB3 GLU A 59 -0.372 -13.732 -3.896 1.00 1.00 H new ATOM 0 HG2 GLU A 59 -3.151 -14.908 -3.600 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -2.807 -13.984 -5.049 1.00 1.00 H new ATOM 942 N VAL A 60 -1.001 -11.976 -0.948 1.00 1.00 N ATOM 943 CA VAL A 60 -0.294 -10.941 -0.194 1.00 1.00 C ATOM 944 C VAL A 60 -0.031 -11.439 1.224 1.00 1.00 C ATOM 945 O VAL A 60 1.076 -11.305 1.745 1.00 1.00 O ATOM 946 CB VAL A 60 -1.142 -9.665 -0.171 1.00 1.00 C ATOM 947 CG1 VAL A 60 -0.477 -8.598 0.705 1.00 1.00 C ATOM 948 CG2 VAL A 60 -1.278 -9.134 -1.599 1.00 1.00 C ATOM 0 H VAL A 60 -1.940 -11.712 -1.246 1.00 1.00 H new ATOM 0 HA VAL A 60 0.662 -10.718 -0.668 1.00 1.00 H new ATOM 0 HB VAL A 60 -2.124 -9.895 0.241 1.00 1.00 H new ATOM 0 HG11 VAL A 60 -1.091 -7.698 0.711 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -0.375 -8.975 1.723 1.00 1.00 H new ATOM 0 HG13 VAL A 60 0.509 -8.362 0.305 1.00 1.00 H new ATOM 0 HG21 VAL A 60 -1.880 -8.225 -1.594 1.00 1.00 H new ATOM 0 HG22 VAL A 60 -0.289 -8.912 -2.000 1.00 1.00 H new ATOM 0 HG23 VAL A 60 -1.762 -9.886 -2.222 1.00 1.00 H new ATOM 958 N LYS A 61 -1.045 -12.047 1.828 1.00 1.00 N ATOM 959 CA LYS A 61 -0.896 -12.596 3.170 1.00 1.00 C ATOM 960 C LYS A 61 0.195 -13.661 3.166 1.00 1.00 C ATOM 961 O LYS A 61 1.062 -13.685 4.041 1.00 1.00 O ATOM 962 CB LYS A 61 -2.229 -13.207 3.635 1.00 1.00 C ATOM 963 CG LYS A 61 -2.070 -13.786 5.052 1.00 1.00 C ATOM 964 CD LYS A 61 -3.375 -14.451 5.515 1.00 1.00 C ATOM 965 CE LYS A 61 -4.406 -13.395 5.914 1.00 1.00 C ATOM 966 NZ LYS A 61 -5.532 -14.059 6.632 1.00 1.00 N ATOM 0 H LYS A 61 -1.969 -12.172 1.415 1.00 1.00 H new ATOM 0 HA LYS A 61 -0.615 -11.799 3.858 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -3.010 -12.447 3.628 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -2.541 -13.991 2.945 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -1.260 -14.515 5.064 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -1.794 -12.992 5.746 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -3.776 -15.074 4.715 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -3.174 -15.108 6.361 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -3.945 -12.642 6.553 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -4.777 -12.878 5.029 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -6.237 -13.346 6.906 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -5.976 -14.762 6.007 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -5.169 -14.533 7.484 1.00 1.00 H new ATOM 980 N ALA A 62 0.144 -14.536 2.172 1.00 1.00 N ATOM 981 CA ALA A 62 1.127 -15.602 2.041 1.00 1.00 C ATOM 982 C ALA A 62 2.513 -15.028 1.772 1.00 1.00 C ATOM 983 O ALA A 62 3.524 -15.689 2.014 1.00 1.00 O ATOM 984 CB ALA A 62 0.734 -16.535 0.894 1.00 1.00 C ATOM 0 H ALA A 62 -0.569 -14.529 1.443 1.00 1.00 H new ATOM 0 HA ALA A 62 1.152 -16.160 2.977 1.00 1.00 H new ATOM 0 HB1 ALA A 62 1.474 -17.330 0.802 1.00 1.00 H new ATOM 0 HB2 ALA A 62 -0.244 -16.971 1.099 1.00 1.00 H new ATOM 0 HB3 ALA A 62 0.691 -15.969 -0.037 1.00 1.00 H new ATOM 990 N ALA A 63 2.563 -13.805 1.238 1.00 1.00 N ATOM 991 CA ALA A 63 3.838 -13.172 0.913 1.00 1.00 C ATOM 992 C ALA A 63 4.393 -12.430 2.116 1.00 1.00 C ATOM 993 O ALA A 63 5.502 -11.910 2.067 1.00 1.00 O ATOM 994 CB ALA A 63 3.661 -12.208 -0.281 1.00 1.00 C ATOM 0 H ALA A 63 1.741 -13.240 1.024 1.00 1.00 H new ATOM 0 HA ALA A 63 4.550 -13.949 0.636 1.00 1.00 H new ATOM 0 HB1 ALA A 63 4.617 -11.741 -0.516 1.00 1.00 H new ATOM 0 HB2 ALA A 63 3.306 -12.765 -1.148 1.00 1.00 H new ATOM 0 HB3 ALA A 63 2.935 -11.438 -0.022 1.00 1.00 H new ATOM 1000 N ASN A 64 3.626 -12.388 3.190 1.00 1.00 N ATOM 1001 CA ASN A 64 4.077 -11.708 4.392 1.00 1.00 C ATOM 1002 C ASN A 64 4.449 -10.252 4.081 1.00 1.00 C ATOM 1003 O ASN A 64 5.563 -9.810 4.366 1.00 1.00 O ATOM 1004 CB ASN A 64 5.291 -12.456 4.986 1.00 1.00 C ATOM 1005 CG ASN A 64 4.860 -13.599 5.912 1.00 1.00 C ATOM 1006 OD1 ASN A 64 5.713 -14.324 6.425 1.00 1.00 O ATOM 1007 ND2 ASN A 64 3.592 -13.823 6.138 1.00 1.00 N ATOM 0 H ASN A 64 2.700 -12.810 3.256 1.00 1.00 H new ATOM 0 HA ASN A 64 3.266 -11.704 5.121 1.00 1.00 H new ATOM 0 HB2 ASN A 64 5.903 -12.855 4.177 1.00 1.00 H new ATOM 0 HB3 ASN A 64 5.914 -11.754 5.541 1.00 1.00 H new ATOM 0 HD21 ASN A 64 3.310 -14.598 6.739 1.00 1.00 H new ATOM 0 HD22 ASN A 64 2.885 -13.223 5.714 1.00 1.00 H new ATOM 1014 N VAL A 65 3.506 -9.505 3.503 1.00 1.00 N ATOM 1015 CA VAL A 65 3.743 -8.098 3.167 1.00 1.00 C ATOM 1016 C VAL A 65 2.767 -7.213 3.922 1.00 1.00 C ATOM 1017 O VAL A 65 1.556 -7.350 3.781 1.00 1.00 O ATOM 1018 CB VAL A 65 3.541 -7.901 1.661 1.00 1.00 C ATOM 1019 CG1 VAL A 65 3.527 -6.401 1.302 1.00 1.00 C ATOM 1020 CG2 VAL A 65 4.676 -8.602 0.917 1.00 1.00 C ATOM 0 H VAL A 65 2.577 -9.847 3.259 1.00 1.00 H new ATOM 0 HA VAL A 65 4.761 -7.828 3.446 1.00 1.00 H new ATOM 0 HB VAL A 65 2.581 -8.328 1.369 1.00 1.00 H new ATOM 0 HG11 VAL A 65 3.382 -6.285 0.228 1.00 1.00 H new ATOM 0 HG12 VAL A 65 2.713 -5.907 1.833 1.00 1.00 H new ATOM 0 HG13 VAL A 65 4.476 -5.949 1.591 1.00 1.00 H new ATOM 0 HG21 VAL A 65 4.544 -8.469 -0.157 1.00 1.00 H new ATOM 0 HG22 VAL A 65 5.630 -8.172 1.221 1.00 1.00 H new ATOM 0 HG23 VAL A 65 4.665 -9.666 1.155 1.00 1.00 H new ATOM 1030 N ARG A 66 3.297 -6.272 4.682 1.00 1.00 N ATOM 1031 CA ARG A 66 2.446 -5.352 5.413 1.00 1.00 C ATOM 1032 C ARG A 66 1.573 -4.606 4.410 1.00 1.00 C ATOM 1033 O ARG A 66 1.887 -4.554 3.222 1.00 1.00 O ATOM 1034 CB ARG A 66 3.299 -4.395 6.256 1.00 1.00 C ATOM 1035 CG ARG A 66 2.426 -3.302 6.885 1.00 1.00 C ATOM 1036 CD ARG A 66 3.284 -2.428 7.815 1.00 1.00 C ATOM 1037 NE ARG A 66 4.301 -1.717 7.057 1.00 1.00 N ATOM 1038 CZ ARG A 66 5.283 -1.057 7.661 1.00 1.00 C ATOM 1039 NH1 ARG A 66 5.414 -1.112 8.959 1.00 1.00 N ATOM 1040 NH2 ARG A 66 6.134 -0.375 6.945 1.00 1.00 N ATOM 0 H ARG A 66 4.299 -6.126 4.808 1.00 1.00 H new ATOM 0 HA ARG A 66 1.801 -5.894 6.105 1.00 1.00 H new ATOM 0 HB2 ARG A 66 3.813 -4.952 7.039 1.00 1.00 H new ATOM 0 HB3 ARG A 66 4.068 -3.939 5.632 1.00 1.00 H new ATOM 0 HG2 ARG A 66 1.976 -2.688 6.105 1.00 1.00 H new ATOM 0 HG3 ARG A 66 1.608 -3.754 7.446 1.00 1.00 H new ATOM 0 HD2 ARG A 66 2.649 -1.714 8.340 1.00 1.00 H new ATOM 0 HD3 ARG A 66 3.758 -3.051 8.573 1.00 1.00 H new ATOM 0 HE ARG A 66 4.259 -1.725 6.038 1.00 1.00 H new ATOM 0 HH11 ARG A 66 4.760 -1.664 9.515 1.00 1.00 H new ATOM 0 HH12 ARG A 66 6.170 -0.603 9.417 1.00 1.00 H new ATOM 0 HH21 ARG A 66 6.042 -0.351 5.929 1.00 1.00 H new ATOM 0 HH22 ARG A 66 6.891 0.135 7.401 1.00 1.00 H new ATOM 1054 N VAL A 67 0.455 -4.076 4.886 1.00 1.00 N ATOM 1055 CA VAL A 67 -0.503 -3.379 4.025 1.00 1.00 C ATOM 1056 C VAL A 67 -0.587 -1.905 4.388 1.00 1.00 C ATOM 1057 O VAL A 67 -0.690 -1.555 5.557 1.00 1.00 O ATOM 1058 CB VAL A 67 -1.887 -4.017 4.204 1.00 1.00 C ATOM 1059 CG1 VAL A 67 -2.954 -3.144 3.541 1.00 1.00 C ATOM 1060 CG2 VAL A 67 -1.885 -5.409 3.570 1.00 1.00 C ATOM 0 H VAL A 67 0.184 -4.114 5.869 1.00 1.00 H new ATOM 0 HA VAL A 67 -0.171 -3.464 2.990 1.00 1.00 H new ATOM 0 HB VAL A 67 -2.114 -4.101 5.267 1.00 1.00 H new ATOM 0 HG11 VAL A 67 -3.934 -3.604 3.672 1.00 1.00 H new ATOM 0 HG12 VAL A 67 -2.952 -2.156 4.000 1.00 1.00 H new ATOM 0 HG13 VAL A 67 -2.737 -3.050 2.477 1.00 1.00 H new ATOM 0 HG21 VAL A 67 -2.866 -5.867 3.694 1.00 1.00 H new ATOM 0 HG22 VAL A 67 -1.656 -5.325 2.508 1.00 1.00 H new ATOM 0 HG23 VAL A 67 -1.131 -6.029 4.056 1.00 1.00 H new ATOM 1070 N VAL A 68 -0.547 -1.051 3.365 1.00 1.00 N ATOM 1071 CA VAL A 68 -0.630 0.397 3.553 1.00 1.00 C ATOM 1072 C VAL A 68 -1.814 0.935 2.750 1.00 1.00 C ATOM 1073 O VAL A 68 -1.991 0.583 1.585 1.00 1.00 O ATOM 1074 CB VAL A 68 0.667 1.058 3.082 1.00 1.00 C ATOM 1075 CG1 VAL A 68 0.491 2.577 3.032 1.00 1.00 C ATOM 1076 CG2 VAL A 68 1.789 0.716 4.061 1.00 1.00 C ATOM 0 H VAL A 68 -0.457 -1.340 2.391 1.00 1.00 H new ATOM 0 HA VAL A 68 -0.773 0.623 4.610 1.00 1.00 H new ATOM 0 HB VAL A 68 0.915 0.692 2.086 1.00 1.00 H new ATOM 0 HG11 VAL A 68 1.419 3.040 2.696 1.00 1.00 H new ATOM 0 HG12 VAL A 68 -0.312 2.828 2.338 1.00 1.00 H new ATOM 0 HG13 VAL A 68 0.240 2.947 4.026 1.00 1.00 H new ATOM 0 HG21 VAL A 68 2.716 1.185 3.730 1.00 1.00 H new ATOM 0 HG22 VAL A 68 1.530 1.084 5.054 1.00 1.00 H new ATOM 0 HG23 VAL A 68 1.922 -0.365 4.098 1.00 1.00 H new ATOM 1086 N CYS A 69 -2.626 1.780 3.371 1.00 1.00 N ATOM 1087 CA CYS A 69 -3.785 2.337 2.683 1.00 1.00 C ATOM 1088 C CYS A 69 -3.342 3.358 1.633 1.00 1.00 C ATOM 1089 O CYS A 69 -2.265 3.945 1.730 1.00 1.00 O ATOM 1090 CB CYS A 69 -4.745 2.967 3.698 1.00 1.00 C ATOM 1091 SG CYS A 69 -5.880 4.119 2.878 1.00 1.00 S ATOM 0 H CYS A 69 -2.508 2.092 4.335 1.00 1.00 H new ATOM 0 HA CYS A 69 -4.312 1.535 2.167 1.00 1.00 H new ATOM 0 HB2 CYS A 69 -5.314 2.185 4.202 1.00 1.00 H new ATOM 0 HB3 CYS A 69 -4.177 3.493 4.465 1.00 1.00 H new ATOM 0 HG CYS A 69 -6.684 4.637 3.759 1.00 1.00 H new ATOM 1097 N GLU A 70 -4.181 3.524 0.619 1.00 1.00 N ATOM 1098 CA GLU A 70 -3.910 4.428 -0.495 1.00 1.00 C ATOM 1099 C GLU A 70 -3.757 5.872 -0.030 1.00 1.00 C ATOM 1100 O GLU A 70 -2.957 6.628 -0.584 1.00 1.00 O ATOM 1101 CB GLU A 70 -5.066 4.325 -1.485 1.00 1.00 C ATOM 1102 CG GLU A 70 -4.775 5.172 -2.717 1.00 1.00 C ATOM 1103 CD GLU A 70 -5.906 5.019 -3.718 1.00 1.00 C ATOM 1104 OE1 GLU A 70 -6.721 4.137 -3.524 1.00 1.00 O ATOM 1105 OE2 GLU A 70 -5.950 5.791 -4.653 1.00 1.00 O ATOM 0 H GLU A 70 -5.073 3.034 0.544 1.00 1.00 H new ATOM 0 HA GLU A 70 -2.969 4.137 -0.963 1.00 1.00 H new ATOM 0 HB2 GLU A 70 -5.215 3.285 -1.776 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -5.990 4.660 -1.014 1.00 1.00 H new ATOM 0 HG2 GLU A 70 -4.666 6.219 -2.434 1.00 1.00 H new ATOM 0 HG3 GLU A 70 -3.832 4.864 -3.168 1.00 1.00 H new ATOM 1112 N ASP A 71 -4.515 6.259 0.982 1.00 1.00 N ATOM 1113 CA ASP A 71 -4.446 7.624 1.489 1.00 1.00 C ATOM 1114 C ASP A 71 -3.041 7.924 1.994 1.00 1.00 C ATOM 1115 O ASP A 71 -2.669 9.085 2.163 1.00 1.00 O ATOM 1116 CB ASP A 71 -5.450 7.814 2.628 1.00 1.00 C ATOM 1117 CG ASP A 71 -6.873 7.836 2.083 1.00 1.00 C ATOM 1118 OD1 ASP A 71 -7.027 7.922 0.875 1.00 1.00 O ATOM 1119 OD2 ASP A 71 -7.792 7.756 2.882 1.00 1.00 O ATOM 0 H ASP A 71 -5.180 5.656 1.467 1.00 1.00 H new ATOM 0 HA ASP A 71 -4.690 8.310 0.678 1.00 1.00 H new ATOM 0 HB2 ASP A 71 -5.344 7.007 3.353 1.00 1.00 H new ATOM 0 HB3 ASP A 71 -5.241 8.745 3.154 1.00 1.00 H new ATOM 1124 N PHE A 72 -2.258 6.872 2.200 1.00 1.00 N ATOM 1125 CA PHE A 72 -0.884 7.013 2.654 1.00 1.00 C ATOM 1126 C PHE A 72 -0.076 7.819 1.647 1.00 1.00 C ATOM 1127 O PHE A 72 0.745 8.657 2.019 1.00 1.00 O ATOM 1128 CB PHE A 72 -0.244 5.639 2.814 1.00 1.00 C ATOM 1129 CG PHE A 72 1.180 5.793 3.290 1.00 1.00 C ATOM 1130 CD1 PHE A 72 2.198 6.054 2.366 1.00 1.00 C ATOM 1131 CD2 PHE A 72 1.489 5.637 4.652 1.00 1.00 C ATOM 1132 CE1 PHE A 72 3.522 6.163 2.795 1.00 1.00 C ATOM 1133 CE2 PHE A 72 2.819 5.756 5.082 1.00 1.00 C ATOM 1134 CZ PHE A 72 3.835 6.012 4.152 1.00 1.00 C ATOM 0 H PHE A 72 -2.556 5.907 2.058 1.00 1.00 H new ATOM 0 HA PHE A 72 -0.890 7.531 3.613 1.00 1.00 H new ATOM 0 HB2 PHE A 72 -0.813 5.043 3.527 1.00 1.00 H new ATOM 0 HB3 PHE A 72 -0.264 5.105 1.864 1.00 1.00 H new ATOM 0 HD1 PHE A 72 1.959 6.171 1.319 1.00 1.00 H new ATOM 0 HD2 PHE A 72 0.706 5.426 5.365 1.00 1.00 H new ATOM 0 HE1 PHE A 72 4.306 6.364 2.080 1.00 1.00 H new ATOM 0 HE2 PHE A 72 3.060 5.650 6.130 1.00 1.00 H new ATOM 0 HZ PHE A 72 4.860 6.093 4.482 1.00 1.00 H new ATOM 1144 N LEU A 73 -0.297 7.527 0.370 1.00 1.00 N ATOM 1145 CA LEU A 73 0.436 8.190 -0.702 1.00 1.00 C ATOM 1146 C LEU A 73 0.207 9.690 -0.628 1.00 1.00 C ATOM 1147 O LEU A 73 1.136 10.485 -0.762 1.00 1.00 O ATOM 1148 CB LEU A 73 -0.096 7.697 -2.052 1.00 1.00 C ATOM 1149 CG LEU A 73 0.227 6.213 -2.246 1.00 1.00 C ATOM 1150 CD1 LEU A 73 -0.483 5.698 -3.505 1.00 1.00 C ATOM 1151 CD2 LEU A 73 1.743 6.009 -2.374 1.00 1.00 C ATOM 0 H LEU A 73 -0.977 6.836 0.052 1.00 1.00 H new ATOM 0 HA LEU A 73 1.498 7.966 -0.599 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -1.174 7.850 -2.103 1.00 1.00 H new ATOM 0 HB3 LEU A 73 0.347 8.280 -2.859 1.00 1.00 H new ATOM 0 HG LEU A 73 -0.123 5.654 -1.378 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -0.254 4.641 -3.645 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -1.560 5.825 -3.393 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -0.140 6.262 -4.373 1.00 1.00 H new ATOM 0 HD21 LEU A 73 1.957 4.949 -2.511 1.00 1.00 H new ATOM 0 HD22 LEU A 73 2.114 6.569 -3.233 1.00 1.00 H new ATOM 0 HD23 LEU A 73 2.236 6.364 -1.469 1.00 1.00 H new ATOM 1163 N GLN A 74 -1.037 10.060 -0.401 1.00 1.00 N ATOM 1164 CA GLN A 74 -1.406 11.460 -0.292 1.00 1.00 C ATOM 1165 C GLN A 74 -0.824 12.073 0.980 1.00 1.00 C ATOM 1166 O GLN A 74 -0.429 13.234 0.995 1.00 1.00 O ATOM 1167 CB GLN A 74 -2.928 11.573 -0.288 1.00 1.00 C ATOM 1168 CG GLN A 74 -3.487 11.002 -1.611 1.00 1.00 C ATOM 1169 CD GLN A 74 -4.797 10.260 -1.376 1.00 1.00 C ATOM 1170 OE1 GLN A 74 -5.711 10.782 -0.739 1.00 1.00 O ATOM 1171 NE2 GLN A 74 -4.923 9.048 -1.848 1.00 1.00 N ATOM 0 H GLN A 74 -1.814 9.409 -0.288 1.00 1.00 H new ATOM 0 HA GLN A 74 -1.001 12.007 -1.143 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -3.342 11.028 0.560 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -3.226 12.615 -0.174 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -3.647 11.812 -2.322 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -2.757 10.326 -2.057 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -4.159 8.624 -2.375 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -5.785 8.526 -1.690 1.00 1.00 H new ATOM 1180 N ASP A 75 -0.800 11.287 2.050 1.00 1.00 N ATOM 1181 CA ASP A 75 -0.288 11.764 3.335 1.00 1.00 C ATOM 1182 C ASP A 75 1.189 12.127 3.270 1.00 1.00 C ATOM 1183 O ASP A 75 1.577 13.197 3.726 1.00 1.00 O ATOM 1184 CB ASP A 75 -0.510 10.696 4.405 1.00 1.00 C ATOM 1185 CG ASP A 75 -1.994 10.602 4.748 1.00 1.00 C ATOM 1186 OD1 ASP A 75 -2.693 11.585 4.564 1.00 1.00 O ATOM 1187 OD2 ASP A 75 -2.414 9.538 5.170 1.00 1.00 O ATOM 0 H ASP A 75 -1.127 10.321 2.057 1.00 1.00 H new ATOM 0 HA ASP A 75 -0.836 12.671 3.590 1.00 1.00 H new ATOM 0 HB2 ASP A 75 -0.149 9.731 4.048 1.00 1.00 H new ATOM 0 HB3 ASP A 75 0.064 10.940 5.299 1.00 1.00 H new ATOM 1192 N VAL A 76 2.019 11.253 2.709 1.00 1.00 N ATOM 1193 CA VAL A 76 3.440 11.561 2.620 1.00 1.00 C ATOM 1194 C VAL A 76 3.652 12.748 1.698 1.00 1.00 C ATOM 1195 O VAL A 76 4.448 13.641 1.989 1.00 1.00 O ATOM 1196 CB VAL A 76 4.253 10.369 2.117 1.00 1.00 C ATOM 1197 CG1 VAL A 76 4.273 9.271 3.179 1.00 1.00 C ATOM 1198 CG2 VAL A 76 3.638 9.818 0.827 1.00 1.00 C ATOM 0 H VAL A 76 1.743 10.352 2.320 1.00 1.00 H new ATOM 0 HA VAL A 76 3.788 11.801 3.624 1.00 1.00 H new ATOM 0 HB VAL A 76 5.272 10.699 1.915 1.00 1.00 H new ATOM 0 HG11 VAL A 76 4.854 8.423 2.815 1.00 1.00 H new ATOM 0 HG12 VAL A 76 4.726 9.656 4.092 1.00 1.00 H new ATOM 0 HG13 VAL A 76 3.253 8.949 3.388 1.00 1.00 H new ATOM 0 HG21 VAL A 76 4.225 8.969 0.478 1.00 1.00 H new ATOM 0 HG22 VAL A 76 2.615 9.496 1.020 1.00 1.00 H new ATOM 0 HG23 VAL A 76 3.636 10.596 0.064 1.00 1.00 H new ATOM 1208 N SER A 77 2.935 12.742 0.582 1.00 1.00 N ATOM 1209 CA SER A 77 3.051 13.835 -0.380 1.00 1.00 C ATOM 1210 C SER A 77 2.570 15.158 0.214 1.00 1.00 C ATOM 1211 O SER A 77 3.223 16.188 0.046 1.00 1.00 O ATOM 1212 CB SER A 77 2.247 13.515 -1.638 1.00 1.00 C ATOM 1213 OG SER A 77 0.894 13.291 -1.277 1.00 1.00 O ATOM 0 H SER A 77 2.277 12.007 0.321 1.00 1.00 H new ATOM 0 HA SER A 77 4.105 13.940 -0.636 1.00 1.00 H new ATOM 0 HB2 SER A 77 2.316 14.339 -2.348 1.00 1.00 H new ATOM 0 HB3 SER A 77 2.656 12.633 -2.132 1.00 1.00 H new ATOM 0 HG SER A 77 0.831 13.164 -0.307 1.00 1.00 H new ATOM 1219 N ALA A 78 1.431 15.129 0.901 1.00 1.00 N ATOM 1220 CA ALA A 78 0.889 16.345 1.503 1.00 1.00 C ATOM 1221 C ALA A 78 1.714 16.773 2.708 1.00 1.00 C ATOM 1222 O ALA A 78 2.096 17.937 2.832 1.00 1.00 O ATOM 1223 CB ALA A 78 -0.561 16.110 1.936 1.00 1.00 C ATOM 0 H ALA A 78 0.872 14.290 1.054 1.00 1.00 H new ATOM 0 HA ALA A 78 0.927 17.139 0.757 1.00 1.00 H new ATOM 0 HB1 ALA A 78 -0.959 17.020 2.384 1.00 1.00 H new ATOM 0 HB2 ALA A 78 -1.161 15.841 1.067 1.00 1.00 H new ATOM 0 HB3 ALA A 78 -0.596 15.301 2.666 1.00 1.00 H new ATOM 1229 N SER A 79 1.979 15.820 3.599 1.00 1.00 N ATOM 1230 CA SER A 79 2.752 16.082 4.812 1.00 1.00 C ATOM 1231 C SER A 79 3.975 15.175 4.855 1.00 1.00 C ATOM 1232 O SER A 79 3.881 13.984 4.558 1.00 1.00 O ATOM 1233 CB SER A 79 1.866 15.812 6.027 1.00 1.00 C ATOM 1234 OG SER A 79 2.509 16.279 7.207 1.00 1.00 O ATOM 0 H SER A 79 1.668 14.853 3.503 1.00 1.00 H new ATOM 0 HA SER A 79 3.085 17.120 4.819 1.00 1.00 H new ATOM 0 HB2 SER A 79 0.904 16.310 5.905 1.00 1.00 H new ATOM 0 HB3 SER A 79 1.664 14.744 6.111 1.00 1.00 H new ATOM 0 HG SER A 79 1.936 16.105 7.983 1.00 1.00 H new ATOM 1240 N ALA A 80 5.123 15.742 5.222 1.00 1.00 N ATOM 1241 CA ALA A 80 6.365 14.976 5.298 1.00 1.00 C ATOM 1242 C ALA A 80 6.750 14.711 6.750 1.00 1.00 C ATOM 1243 O ALA A 80 7.757 15.229 7.231 1.00 1.00 O ATOM 1244 CB ALA A 80 7.497 15.754 4.623 1.00 1.00 C ATOM 0 H ALA A 80 5.219 16.727 5.471 1.00 1.00 H new ATOM 0 HA ALA A 80 6.208 14.025 4.790 1.00 1.00 H new ATOM 0 HB1 ALA A 80 8.420 15.178 4.683 1.00 1.00 H new ATOM 0 HB2 ALA A 80 7.245 15.928 3.577 1.00 1.00 H new ATOM 0 HB3 ALA A 80 7.633 16.710 5.128 1.00 1.00 H new ATOM 1250 N LYS A 81 5.945 13.906 7.445 1.00 1.00 N ATOM 1251 CA LYS A 81 6.209 13.588 8.845 1.00 1.00 C ATOM 1252 C LYS A 81 7.020 12.313 8.960 1.00 1.00 C ATOM 1253 O LYS A 81 7.699 11.889 8.026 1.00 1.00 O ATOM 1254 CB LYS A 81 4.896 13.391 9.603 1.00 1.00 C ATOM 1255 CG LYS A 81 3.986 14.578 9.333 1.00 1.00 C ATOM 1256 CD LYS A 81 2.676 14.451 10.127 1.00 1.00 C ATOM 1257 CE LYS A 81 1.811 13.320 9.555 1.00 1.00 C ATOM 1258 NZ LYS A 81 0.436 13.410 10.124 1.00 1.00 N ATOM 0 H LYS A 81 5.109 13.465 7.062 1.00 1.00 H new ATOM 0 HA LYS A 81 6.767 14.420 9.274 1.00 1.00 H new ATOM 0 HB2 LYS A 81 4.413 12.467 9.286 1.00 1.00 H new ATOM 0 HB3 LYS A 81 5.088 13.300 10.672 1.00 1.00 H new ATOM 0 HG2 LYS A 81 4.495 15.502 9.607 1.00 1.00 H new ATOM 0 HG3 LYS A 81 3.766 14.639 8.267 1.00 1.00 H new ATOM 0 HD2 LYS A 81 2.897 14.253 11.176 1.00 1.00 H new ATOM 0 HD3 LYS A 81 2.127 15.392 10.088 1.00 1.00 H new ATOM 0 HE2 LYS A 81 1.772 13.392 8.468 1.00 1.00 H new ATOM 0 HE3 LYS A 81 2.253 12.353 9.795 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -0.151 12.644 9.737 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 0.482 13.321 11.159 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 0.016 14.328 9.874 1.00 1.00 H new ATOM 1272 N SER A 82 6.924 11.722 10.133 1.00 1.00 N ATOM 1273 CA SER A 82 7.640 10.485 10.422 1.00 1.00 C ATOM 1274 C SER A 82 6.955 9.290 9.763 1.00 1.00 C ATOM 1275 O SER A 82 5.728 9.180 9.762 1.00 1.00 O ATOM 1276 CB SER A 82 7.713 10.263 11.937 1.00 1.00 C ATOM 1277 OG SER A 82 8.704 11.122 12.487 1.00 1.00 O ATOM 0 H SER A 82 6.358 12.074 10.905 1.00 1.00 H new ATOM 0 HA SER A 82 8.648 10.574 10.017 1.00 1.00 H new ATOM 0 HB2 SER A 82 6.744 10.466 12.394 1.00 1.00 H new ATOM 0 HB3 SER A 82 7.956 9.223 12.153 1.00 1.00 H new ATOM 0 HG SER A 82 8.754 10.986 13.456 1.00 1.00 H new ATOM 1283 N LEU A 83 7.772 8.395 9.223 1.00 1.00 N ATOM 1284 CA LEU A 83 7.283 7.190 8.571 1.00 1.00 C ATOM 1285 C LEU A 83 6.555 6.276 9.553 1.00 1.00 C ATOM 1286 O LEU A 83 5.505 5.711 9.249 1.00 1.00 O ATOM 1287 CB LEU A 83 8.470 6.465 7.950 1.00 1.00 C ATOM 1288 CG LEU A 83 8.033 5.124 7.362 1.00 1.00 C ATOM 1289 CD1 LEU A 83 6.828 5.306 6.436 1.00 1.00 C ATOM 1290 CD2 LEU A 83 9.191 4.567 6.547 1.00 1.00 C ATOM 0 H LEU A 83 8.788 8.484 9.225 1.00 1.00 H new ATOM 0 HA LEU A 83 6.564 7.468 7.801 1.00 1.00 H new ATOM 0 HB2 LEU A 83 8.913 7.083 7.169 1.00 1.00 H new ATOM 0 HB3 LEU A 83 9.240 6.304 8.704 1.00 1.00 H new ATOM 0 HG LEU A 83 7.755 4.449 8.171 1.00 1.00 H new ATOM 0 HD11 LEU A 83 6.533 4.339 6.028 1.00 1.00 H new ATOM 0 HD12 LEU A 83 5.997 5.731 6.999 1.00 1.00 H new ATOM 0 HD13 LEU A 83 7.094 5.978 5.620 1.00 1.00 H new ATOM 0 HD21 LEU A 83 8.904 3.608 6.116 1.00 1.00 H new ATOM 0 HD22 LEU A 83 9.442 5.264 5.747 1.00 1.00 H new ATOM 0 HD23 LEU A 83 10.058 4.429 7.193 1.00 1.00 H new ATOM 1302 N GLN A 84 7.130 6.126 10.730 1.00 1.00 N ATOM 1303 CA GLN A 84 6.555 5.266 11.757 1.00 1.00 C ATOM 1304 C GLN A 84 5.174 5.749 12.198 1.00 1.00 C ATOM 1305 O GLN A 84 4.273 4.939 12.418 1.00 1.00 O ATOM 1306 CB GLN A 84 7.485 5.223 12.971 1.00 1.00 C ATOM 1307 CG GLN A 84 8.799 4.538 12.591 1.00 1.00 C ATOM 1308 CD GLN A 84 8.551 3.062 12.302 1.00 1.00 C ATOM 1309 OE1 GLN A 84 8.074 2.332 13.171 1.00 1.00 O ATOM 1310 NE2 GLN A 84 8.838 2.579 11.124 1.00 1.00 N ATOM 0 H GLN A 84 7.997 6.588 11.004 1.00 1.00 H new ATOM 0 HA GLN A 84 6.443 4.270 11.329 1.00 1.00 H new ATOM 0 HB2 GLN A 84 7.681 6.234 13.327 1.00 1.00 H new ATOM 0 HB3 GLN A 84 7.006 4.684 13.789 1.00 1.00 H new ATOM 0 HG2 GLN A 84 9.231 5.021 11.715 1.00 1.00 H new ATOM 0 HG3 GLN A 84 9.521 4.642 13.401 1.00 1.00 H new ATOM 0 HE21 GLN A 84 9.233 3.186 10.406 1.00 1.00 H new ATOM 0 HE22 GLN A 84 8.667 1.594 10.921 1.00 1.00 H new ATOM 1319 N GLU A 85 5.001 7.058 12.342 1.00 1.00 N ATOM 1320 CA GLU A 85 3.711 7.582 12.771 1.00 1.00 C ATOM 1321 C GLU A 85 2.647 7.337 11.703 1.00 1.00 C ATOM 1322 O GLU A 85 1.518 6.976 12.020 1.00 1.00 O ATOM 1323 CB GLU A 85 3.820 9.084 13.080 1.00 1.00 C ATOM 1324 CG GLU A 85 2.474 9.628 13.583 1.00 1.00 C ATOM 1325 CD GLU A 85 2.156 9.065 14.965 1.00 1.00 C ATOM 1326 OE1 GLU A 85 3.026 8.436 15.542 1.00 1.00 O ATOM 1327 OE2 GLU A 85 1.050 9.281 15.429 1.00 1.00 O ATOM 0 H GLU A 85 5.720 7.761 12.172 1.00 1.00 H new ATOM 0 HA GLU A 85 3.413 7.058 13.679 1.00 1.00 H new ATOM 0 HB2 GLU A 85 4.591 9.252 13.832 1.00 1.00 H new ATOM 0 HB3 GLU A 85 4.126 9.625 12.184 1.00 1.00 H new ATOM 0 HG2 GLU A 85 2.508 10.717 13.626 1.00 1.00 H new ATOM 0 HG3 GLU A 85 1.682 9.361 12.883 1.00 1.00 H new ATOM 1334 N LEU A 86 2.998 7.544 10.443 1.00 1.00 N ATOM 1335 CA LEU A 86 2.041 7.355 9.356 1.00 1.00 C ATOM 1336 C LEU A 86 1.568 5.908 9.251 1.00 1.00 C ATOM 1337 O LEU A 86 0.383 5.658 9.033 1.00 1.00 O ATOM 1338 CB LEU A 86 2.685 7.760 8.030 1.00 1.00 C ATOM 1339 CG LEU A 86 2.920 9.282 7.996 1.00 1.00 C ATOM 1340 CD1 LEU A 86 3.775 9.617 6.771 1.00 1.00 C ATOM 1341 CD2 LEU A 86 1.575 10.038 7.914 1.00 1.00 C ATOM 0 H LEU A 86 3.928 7.840 10.146 1.00 1.00 H new ATOM 0 HA LEU A 86 1.175 7.981 9.573 1.00 1.00 H new ATOM 0 HB2 LEU A 86 3.632 7.235 7.902 1.00 1.00 H new ATOM 0 HB3 LEU A 86 2.043 7.465 7.200 1.00 1.00 H new ATOM 0 HG LEU A 86 3.430 9.589 8.909 1.00 1.00 H new ATOM 0 HD11 LEU A 86 3.950 10.692 6.733 1.00 1.00 H new ATOM 0 HD12 LEU A 86 4.730 9.096 6.840 1.00 1.00 H new ATOM 0 HD13 LEU A 86 3.254 9.302 5.867 1.00 1.00 H new ATOM 0 HD21 LEU A 86 1.762 11.112 7.891 1.00 1.00 H new ATOM 0 HD22 LEU A 86 1.046 9.742 7.008 1.00 1.00 H new ATOM 0 HD23 LEU A 86 0.967 9.794 8.785 1.00 1.00 H new ATOM 1353 N LEU A 87 2.486 4.960 9.394 1.00 1.00 N ATOM 1354 CA LEU A 87 2.134 3.548 9.286 1.00 1.00 C ATOM 1355 C LEU A 87 1.518 3.043 10.583 1.00 1.00 C ATOM 1356 O LEU A 87 1.060 1.907 10.656 1.00 1.00 O ATOM 1357 CB LEU A 87 3.371 2.717 8.894 1.00 1.00 C ATOM 1358 CG LEU A 87 4.359 2.613 10.071 1.00 1.00 C ATOM 1359 CD1 LEU A 87 3.911 1.560 11.116 1.00 1.00 C ATOM 1360 CD2 LEU A 87 5.751 2.248 9.526 1.00 1.00 C ATOM 0 H LEU A 87 3.472 5.140 9.583 1.00 1.00 H new ATOM 0 HA LEU A 87 1.387 3.435 8.501 1.00 1.00 H new ATOM 0 HB2 LEU A 87 3.061 1.719 8.585 1.00 1.00 H new ATOM 0 HB3 LEU A 87 3.866 3.176 8.038 1.00 1.00 H new ATOM 0 HG LEU A 87 4.389 3.579 10.576 1.00 1.00 H new ATOM 0 HD11 LEU A 87 4.637 1.521 11.928 1.00 1.00 H new ATOM 0 HD12 LEU A 87 2.935 1.836 11.515 1.00 1.00 H new ATOM 0 HD13 LEU A 87 3.845 0.581 10.641 1.00 1.00 H new ATOM 0 HD21 LEU A 87 6.457 2.172 10.353 1.00 1.00 H new ATOM 0 HD22 LEU A 87 5.699 1.292 9.005 1.00 1.00 H new ATOM 0 HD23 LEU A 87 6.085 3.021 8.834 1.00 1.00 H new ATOM 1372 N SER A 88 1.485 3.894 11.600 1.00 1.00 N ATOM 1373 CA SER A 88 0.889 3.513 12.874 1.00 1.00 C ATOM 1374 C SER A 88 -0.601 3.247 12.695 1.00 1.00 C ATOM 1375 O SER A 88 -1.166 2.389 13.373 1.00 1.00 O ATOM 1376 CB SER A 88 1.064 4.625 13.907 1.00 1.00 C ATOM 1377 OG SER A 88 0.300 5.754 13.512 1.00 1.00 O ATOM 0 H SER A 88 1.859 4.842 11.569 1.00 1.00 H new ATOM 0 HA SER A 88 1.392 2.611 13.223 1.00 1.00 H new ATOM 0 HB2 SER A 88 0.742 4.279 14.889 1.00 1.00 H new ATOM 0 HB3 SER A 88 2.116 4.895 13.993 1.00 1.00 H new ATOM 0 HG SER A 88 0.884 6.405 13.070 1.00 1.00 H new ATOM 1383 N ALA A 89 -1.244 4.009 11.797 1.00 1.00 N ATOM 1384 CA ALA A 89 -2.696 3.856 11.572 1.00 1.00 C ATOM 1385 C ALA A 89 -3.031 3.479 10.130 1.00 1.00 C ATOM 1386 O ALA A 89 -3.962 2.711 9.887 1.00 1.00 O ATOM 1387 CB ALA A 89 -3.408 5.163 11.927 1.00 1.00 C ATOM 0 H ALA A 89 -0.796 4.724 11.224 1.00 1.00 H new ATOM 0 HA ALA A 89 -3.037 3.043 12.212 1.00 1.00 H new ATOM 0 HB1 ALA A 89 -4.479 5.050 11.761 1.00 1.00 H new ATOM 0 HB2 ALA A 89 -3.226 5.403 12.975 1.00 1.00 H new ATOM 0 HB3 ALA A 89 -3.026 5.968 11.299 1.00 1.00 H new ATOM 1393 N HIS A 90 -2.288 4.033 9.181 1.00 1.00 N ATOM 1394 CA HIS A 90 -2.526 3.756 7.767 1.00 1.00 C ATOM 1395 C HIS A 90 -2.221 2.302 7.428 1.00 1.00 C ATOM 1396 O HIS A 90 -2.788 1.742 6.489 1.00 1.00 O ATOM 1397 CB HIS A 90 -1.661 4.669 6.898 1.00 1.00 C ATOM 1398 CG HIS A 90 -2.164 6.082 7.010 1.00 1.00 C ATOM 1399 ND1 HIS A 90 -3.514 6.391 6.947 1.00 1.00 N ATOM 1400 CD2 HIS A 90 -1.514 7.294 7.182 1.00 1.00 C ATOM 1401 CE1 HIS A 90 -3.635 7.728 7.083 1.00 1.00 C ATOM 1402 NE2 HIS A 90 -2.446 8.323 7.233 1.00 1.00 N ATOM 0 H HIS A 90 -1.517 4.676 9.362 1.00 1.00 H new ATOM 0 HA HIS A 90 -3.580 3.946 7.566 1.00 1.00 H new ATOM 0 HB2 HIS A 90 -0.620 4.615 7.217 1.00 1.00 H new ATOM 0 HB3 HIS A 90 -1.694 4.340 5.859 1.00 1.00 H new ATOM 0 HD2 HIS A 90 -0.444 7.420 7.264 1.00 1.00 H new ATOM 0 HE1 HIS A 90 -4.578 8.254 7.072 1.00 1.00 H new ATOM 0 HE2 HIS A 90 -2.263 9.319 7.358 1.00 1.00 H new ATOM 1411 N SER A 91 -1.291 1.716 8.164 1.00 1.00 N ATOM 1412 CA SER A 91 -0.872 0.343 7.911 1.00 1.00 C ATOM 1413 C SER A 91 -2.000 -0.661 8.081 1.00 1.00 C ATOM 1414 O SER A 91 -1.921 -1.766 7.550 1.00 1.00 O ATOM 1415 CB SER A 91 0.228 -0.052 8.882 1.00 1.00 C ATOM 1416 OG SER A 91 -0.264 0.082 10.208 1.00 1.00 O ATOM 0 H SER A 91 -0.810 2.168 8.942 1.00 1.00 H new ATOM 0 HA SER A 91 -0.530 0.319 6.876 1.00 1.00 H new ATOM 0 HB2 SER A 91 0.543 -1.079 8.698 1.00 1.00 H new ATOM 0 HB3 SER A 91 1.104 0.581 8.738 1.00 1.00 H new ATOM 0 HG SER A 91 0.175 0.842 10.644 1.00 1.00 H new ATOM 1422 N LEU A 92 -3.002 -0.309 8.877 1.00 1.00 N ATOM 1423 CA LEU A 92 -4.108 -1.220 9.174 1.00 1.00 C ATOM 1424 C LEU A 92 -3.588 -2.343 10.077 1.00 1.00 C ATOM 1425 O LEU A 92 -4.345 -2.938 10.840 1.00 1.00 O ATOM 1426 CB LEU A 92 -4.738 -1.791 7.894 1.00 1.00 C ATOM 1427 CG LEU A 92 -5.204 -0.629 6.998 1.00 1.00 C ATOM 1428 CD1 LEU A 92 -5.723 -1.171 5.654 1.00 1.00 C ATOM 1429 CD2 LEU A 92 -6.323 0.173 7.708 1.00 1.00 C ATOM 0 H LEU A 92 -3.074 0.602 9.331 1.00 1.00 H new ATOM 0 HA LEU A 92 -4.895 -0.667 9.687 1.00 1.00 H new ATOM 0 HB2 LEU A 92 -4.014 -2.409 7.362 1.00 1.00 H new ATOM 0 HB3 LEU A 92 -5.582 -2.434 8.145 1.00 1.00 H new ATOM 0 HG LEU A 92 -4.357 0.031 6.811 1.00 1.00 H new ATOM 0 HD11 LEU A 92 -6.050 -0.340 5.029 1.00 1.00 H new ATOM 0 HD12 LEU A 92 -4.925 -1.714 5.148 1.00 1.00 H new ATOM 0 HD13 LEU A 92 -6.562 -1.843 5.832 1.00 1.00 H new ATOM 0 HD21 LEU A 92 -6.646 0.993 7.066 1.00 1.00 H new ATOM 0 HD22 LEU A 92 -7.169 -0.484 7.911 1.00 1.00 H new ATOM 0 HD23 LEU A 92 -5.943 0.575 8.647 1.00 1.00 H new ATOM 1441 N SER A 93 -2.273 -2.592 9.995 1.00 1.00 N ATOM 1442 CA SER A 93 -1.611 -3.606 10.815 1.00 1.00 C ATOM 1443 C SER A 93 -2.289 -4.963 10.707 1.00 1.00 C ATOM 1444 O SER A 93 -3.483 -5.105 10.970 1.00 1.00 O ATOM 1445 CB SER A 93 -1.597 -3.152 12.275 1.00 1.00 C ATOM 1446 OG SER A 93 -1.151 -4.225 13.093 1.00 1.00 O ATOM 0 H SER A 93 -1.645 -2.097 9.361 1.00 1.00 H new ATOM 0 HA SER A 93 -0.592 -3.718 10.445 1.00 1.00 H new ATOM 0 HB2 SER A 93 -0.940 -2.290 12.394 1.00 1.00 H new ATOM 0 HB3 SER A 93 -2.595 -2.837 12.580 1.00 1.00 H new ATOM 0 HG SER A 93 -1.139 -3.939 14.030 1.00 1.00 H new ATOM 1452 N SER A 94 -1.501 -5.957 10.310 1.00 1.00 N ATOM 1453 CA SER A 94 -2.003 -7.312 10.161 1.00 1.00 C ATOM 1454 C SER A 94 -0.839 -8.301 10.019 1.00 1.00 C ATOM 1455 O SER A 94 -0.719 -9.240 10.804 1.00 1.00 O ATOM 1456 CB SER A 94 -2.923 -7.373 8.945 1.00 1.00 C ATOM 1457 OG SER A 94 -3.772 -8.508 9.049 1.00 1.00 O ATOM 0 H SER A 94 -0.512 -5.846 10.086 1.00 1.00 H new ATOM 0 HA SER A 94 -2.569 -7.592 11.049 1.00 1.00 H new ATOM 0 HB2 SER A 94 -3.520 -6.463 8.882 1.00 1.00 H new ATOM 0 HB3 SER A 94 -2.332 -7.430 8.031 1.00 1.00 H new ATOM 0 HG SER A 94 -3.699 -9.047 8.234 1.00 1.00 H new ATOM 1463 N TRP A 95 0.029 -8.075 9.029 1.00 1.00 N ATOM 1464 CA TRP A 95 1.192 -8.949 8.821 1.00 1.00 C ATOM 1465 C TRP A 95 2.332 -8.169 8.172 1.00 1.00 C ATOM 1466 O TRP A 95 2.317 -6.939 8.153 1.00 1.00 O ATOM 1467 CB TRP A 95 0.829 -10.158 7.952 1.00 1.00 C ATOM 1468 CG TRP A 95 0.250 -9.698 6.660 1.00 1.00 C ATOM 1469 CD1 TRP A 95 0.975 -9.361 5.575 1.00 1.00 C ATOM 1470 CD2 TRP A 95 -1.147 -9.520 6.291 1.00 1.00 C ATOM 1471 NE1 TRP A 95 0.117 -8.990 4.562 1.00 1.00 N ATOM 1472 CE2 TRP A 95 -1.205 -9.055 4.957 1.00 1.00 C ATOM 1473 CE3 TRP A 95 -2.359 -9.707 6.981 1.00 1.00 C ATOM 1474 CZ2 TRP A 95 -2.424 -8.790 4.326 1.00 1.00 C ATOM 1475 CZ3 TRP A 95 -3.585 -9.430 6.355 1.00 1.00 C ATOM 1476 CH2 TRP A 95 -3.615 -8.972 5.030 1.00 1.00 C ATOM 0 H TRP A 95 -0.047 -7.305 8.365 1.00 1.00 H new ATOM 0 HA TRP A 95 1.515 -9.312 9.797 1.00 1.00 H new ATOM 0 HB2 TRP A 95 1.716 -10.764 7.768 1.00 1.00 H new ATOM 0 HB3 TRP A 95 0.114 -10.792 8.476 1.00 1.00 H new ATOM 0 HD1 TRP A 95 2.053 -9.379 5.510 1.00 1.00 H new ATOM 0 HE1 TRP A 95 0.422 -8.702 3.632 1.00 1.00 H new ATOM 0 HE3 TRP A 95 -2.346 -10.066 7.999 1.00 1.00 H new ATOM 0 HZ2 TRP A 95 -2.444 -8.447 3.302 1.00 1.00 H new ATOM 0 HZ3 TRP A 95 -4.509 -9.570 6.896 1.00 1.00 H new ATOM 0 HH2 TRP A 95 -4.561 -8.760 4.554 1.00 1.00 H new ATOM 1487 N GLY A 96 3.327 -8.890 7.642 1.00 1.00 N ATOM 1488 CA GLY A 96 4.477 -8.243 6.997 1.00 1.00 C ATOM 1489 C GLY A 96 5.792 -8.799 7.526 1.00 1.00 C ATOM 1490 O GLY A 96 6.656 -8.049 7.978 1.00 1.00 O ATOM 0 H GLY A 96 3.361 -9.909 7.646 1.00 1.00 H new ATOM 0 HA2 GLY A 96 4.424 -8.393 5.919 1.00 1.00 H new ATOM 0 HA3 GLY A 96 4.438 -7.168 7.172 1.00 1.00 H new ATOM 1494 N ALA A 97 5.943 -10.120 7.465 1.00 1.00 N ATOM 1495 CA ALA A 97 7.163 -10.754 7.942 1.00 1.00 C ATOM 1496 C ALA A 97 7.427 -10.349 9.387 1.00 1.00 C ATOM 1497 O ALA A 97 8.461 -9.758 9.695 1.00 1.00 O ATOM 1498 CB ALA A 97 8.346 -10.334 7.066 1.00 1.00 C ATOM 0 H ALA A 97 5.243 -10.763 7.094 1.00 1.00 H new ATOM 0 HA ALA A 97 7.044 -11.836 7.888 1.00 1.00 H new ATOM 0 HB1 ALA A 97 9.256 -10.812 7.429 1.00 1.00 H new ATOM 0 HB2 ALA A 97 8.162 -10.639 6.036 1.00 1.00 H new ATOM 0 HB3 ALA A 97 8.464 -9.251 7.108 1.00 1.00 H new