USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 879 hydrogens (32 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 105 HECFE :(H bumps) USER MOD NoAdj-H: A 105 HEC HAC : A 105 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 105 HEC HAB : A 105 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 49 THR OG1 : rot -109:sc= 0.772 USER MOD Set 1.2: A 52 ASN : amide:sc= -1.01 K(o=1.7,f=-0.99!) USER MOD Set 1.3: A 67 TYR OH : rot -130:sc= 1.23 USER MOD Set 1.4: A 78 THR OG1 : rot 180:sc= 0.776 USER MOD Set 1.5: A 105 HEC O2D : rot 178:sc= -0.0739 USER MOD Set 2.1: A 40 THR OG1 : rot 114:sc= 1.62 USER MOD Set 2.2: A 48 TYR OH : rot -145:sc= 0.0523 USER MOD Set 3.1: A 26 HIS : no HD1:sc= -0.361 X(o=-0.44,f=-0.074) USER MOD Set 3.2: A 31 ASN : amide:sc= -0.0741 K(o=-0.44,f=-2.7!) USER MOD Set 4.1: A 8 LYS NZ :NH3+ 172:sc= 1.28 (180deg=0) USER MOD Set 4.2: A 12 GLN : amide:sc= 1.1 K(o=2.4,f=-10!) USER MOD Single : A 1 GLY N :NH3+ -140:sc= -1.54! (180deg=-3.62!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -177:sc= 2.12 (180deg=2.02) USER MOD Single : A 13 LYS NZ :NH3+ -166:sc= 1.16 (180deg=1.03) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 19 THR OG1 : rot -38:sc= 1.08 USER MOD Single : A 22 LYS NZ :NH3+ -146:sc=-0.00851 (180deg=-0.459) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot -47:sc= 0.924 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.0669 X(o=-0.067,f=-0.19) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00694 USER MOD Single : A 60 LYS NZ :NH3+ 177:sc= 0.948 (180deg=0.827) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0418 USER MOD Single : A 65 MET CE :methyl -160:sc= -0.238 (180deg=-0.928) USER MOD Single : A 70 ASN : amide:sc= -1.4 X(o=-1.4,f=-1.4) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0128) USER MOD Single : A 74 TYR OH : rot 15:sc= -0.306 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= -0.126 (180deg=-0.126) USER MOD Single : A 86 LYS NZ :NH3+ -175:sc= 1.24 (180deg=1.1) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 150:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 170:sc= -0.0743 (180deg=-0.676!) USER MOD Single : A 100 LYS NZ :NH3+ 159:sc= 1.26 (180deg=1.15) USER MOD Single : A 102 THR OG1 : rot -34:sc= 0.324 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 HEC O2A : rot 166:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.999 9.804 3.130 1.00 0.00 N ATOM 2 CA GLY A 1 -11.127 10.222 4.523 1.00 0.00 C ATOM 3 C GLY A 1 -10.393 11.548 4.597 1.00 0.00 C ATOM 4 O GLY A 1 -10.383 12.231 3.571 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.896 9.386 2.809 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.771 10.629 2.540 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.239 9.099 3.048 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.173 10.332 4.809 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.688 9.488 5.199 1.00 0.00 H new ATOM 10 N ASP A 2 -9.748 11.875 5.710 1.00 0.00 N ATOM 11 CA ASP A 2 -8.777 12.960 5.725 1.00 0.00 C ATOM 12 C ASP A 2 -7.563 12.507 4.906 1.00 0.00 C ATOM 13 O ASP A 2 -7.471 11.357 4.484 1.00 0.00 O ATOM 14 CB ASP A 2 -8.363 13.331 7.163 1.00 0.00 C ATOM 15 CG ASP A 2 -9.465 13.962 8.008 1.00 0.00 C ATOM 16 OD1 ASP A 2 -10.288 14.696 7.422 1.00 0.00 O ATOM 17 OD2 ASP A 2 -9.438 13.737 9.240 1.00 0.00 O ATOM 0 H ASP A 2 -9.879 11.408 6.607 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.218 13.857 5.290 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.009 12.431 7.667 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -7.521 14.022 7.116 1.00 0.00 H new ATOM 22 N VAL A 3 -6.629 13.425 4.660 1.00 0.00 N ATOM 23 CA VAL A 3 -5.344 13.129 4.031 1.00 0.00 C ATOM 24 C VAL A 3 -4.247 13.074 5.101 1.00 0.00 C ATOM 25 O VAL A 3 -3.344 12.236 5.064 1.00 0.00 O ATOM 26 CB VAL A 3 -5.086 14.158 2.909 1.00 0.00 C ATOM 27 CG1 VAL A 3 -4.943 15.602 3.410 1.00 0.00 C ATOM 28 CG2 VAL A 3 -3.855 13.793 2.077 1.00 0.00 C ATOM 0 H VAL A 3 -6.746 14.410 4.896 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.347 12.147 3.558 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.980 14.114 2.286 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.764 16.265 2.563 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.859 15.903 3.919 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.105 15.665 4.104 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.707 14.541 1.298 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.976 13.762 2.721 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.003 12.816 1.618 1.00 0.00 H new ATOM 38 N GLU A 4 -4.356 13.973 6.080 1.00 0.00 N ATOM 39 CA GLU A 4 -3.390 14.148 7.145 1.00 0.00 C ATOM 40 C GLU A 4 -3.503 12.979 8.106 1.00 0.00 C ATOM 41 O GLU A 4 -2.507 12.324 8.413 1.00 0.00 O ATOM 42 CB GLU A 4 -3.681 15.461 7.874 1.00 0.00 C ATOM 43 CG GLU A 4 -3.356 16.674 6.991 1.00 0.00 C ATOM 44 CD GLU A 4 -2.209 17.485 7.579 1.00 0.00 C ATOM 45 OE1 GLU A 4 -2.512 18.376 8.399 1.00 0.00 O ATOM 46 OE2 GLU A 4 -1.055 17.171 7.217 1.00 0.00 O ATOM 0 H GLU A 4 -5.146 14.615 6.148 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.379 14.184 6.739 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.731 15.492 8.166 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.093 15.508 8.791 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.092 16.338 5.988 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.240 17.305 6.894 1.00 0.00 H new ATOM 53 N LYS A 5 -4.727 12.705 8.571 1.00 0.00 N ATOM 54 CA LYS A 5 -4.925 11.549 9.420 1.00 0.00 C ATOM 55 C LYS A 5 -4.485 10.310 8.660 1.00 0.00 C ATOM 56 O LYS A 5 -3.819 9.482 9.255 1.00 0.00 O ATOM 57 CB LYS A 5 -6.339 11.407 9.976 1.00 0.00 C ATOM 58 CG LYS A 5 -6.749 12.595 10.844 1.00 0.00 C ATOM 59 CD LYS A 5 -8.026 12.205 11.590 1.00 0.00 C ATOM 60 CE LYS A 5 -8.535 13.386 12.421 1.00 0.00 C ATOM 61 NZ LYS A 5 -9.780 13.044 13.131 1.00 0.00 N ATOM 0 H LYS A 5 -5.564 13.254 8.376 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.309 11.685 10.309 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.042 11.305 9.149 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.404 10.492 10.564 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.956 12.846 11.548 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.920 13.478 10.228 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.791 11.895 10.878 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.830 11.352 12.239 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.772 13.682 13.142 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.709 14.243 11.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.100 13.864 13.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.513 12.785 12.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.606 12.241 13.769 1.00 0.00 H new ATOM 75 N GLY A 6 -4.758 10.207 7.358 1.00 0.00 N ATOM 76 CA GLY A 6 -4.277 9.087 6.565 1.00 0.00 C ATOM 77 C GLY A 6 -2.773 8.905 6.769 1.00 0.00 C ATOM 78 O GLY A 6 -2.335 7.824 7.152 1.00 0.00 O ATOM 0 H GLY A 6 -5.310 10.888 6.836 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.803 8.176 6.851 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.490 9.260 5.510 1.00 0.00 H new ATOM 82 N LYS A 7 -1.982 9.966 6.576 1.00 0.00 N ATOM 83 CA LYS A 7 -0.544 9.952 6.726 1.00 0.00 C ATOM 84 C LYS A 7 -0.115 9.573 8.144 1.00 0.00 C ATOM 85 O LYS A 7 0.803 8.774 8.339 1.00 0.00 O ATOM 86 CB LYS A 7 -0.038 11.325 6.263 1.00 0.00 C ATOM 87 CG LYS A 7 1.466 11.443 6.447 1.00 0.00 C ATOM 88 CD LYS A 7 2.097 12.450 5.473 1.00 0.00 C ATOM 89 CE LYS A 7 3.532 12.770 5.908 1.00 0.00 C ATOM 90 NZ LYS A 7 4.361 13.331 4.821 1.00 0.00 N ATOM 0 H LYS A 7 -2.347 10.879 6.304 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.090 9.176 6.109 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.292 11.475 5.214 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.540 12.111 6.828 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.681 11.748 7.471 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.925 10.465 6.302 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.097 12.041 4.463 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.504 13.364 5.447 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.504 13.478 6.736 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.002 11.861 6.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.331 13.478 5.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.374 12.670 4.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.961 14.241 4.514 1.00 0.00 H new ATOM 104 N LYS A 8 -0.790 10.148 9.132 1.00 0.00 N ATOM 105 CA LYS A 8 -0.447 9.991 10.538 1.00 0.00 C ATOM 106 C LYS A 8 -0.676 8.534 10.945 1.00 0.00 C ATOM 107 O LYS A 8 0.169 7.886 11.564 1.00 0.00 O ATOM 108 CB LYS A 8 -1.313 10.951 11.381 1.00 0.00 C ATOM 109 CG LYS A 8 -0.533 11.902 12.300 1.00 0.00 C ATOM 110 CD LYS A 8 -0.128 11.279 13.645 1.00 0.00 C ATOM 111 CE LYS A 8 1.189 10.494 13.580 1.00 0.00 C ATOM 112 NZ LYS A 8 1.489 9.828 14.863 1.00 0.00 N ATOM 0 H LYS A 8 -1.602 10.745 8.976 1.00 0.00 H new ATOM 0 HA LYS A 8 0.601 10.237 10.708 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.928 11.547 10.706 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.994 10.358 11.992 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.365 12.237 11.781 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.140 12.787 12.489 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.035 12.069 14.390 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.923 10.614 13.983 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.130 9.748 12.787 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.004 11.170 13.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.310 9.200 14.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.703 10.545 15.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.666 9.269 15.165 1.00 0.00 H new ATOM 126 N ILE A 9 -1.855 8.034 10.594 1.00 0.00 N ATOM 127 CA ILE A 9 -2.366 6.740 10.976 1.00 0.00 C ATOM 128 C ILE A 9 -1.539 5.696 10.242 1.00 0.00 C ATOM 129 O ILE A 9 -1.088 4.724 10.846 1.00 0.00 O ATOM 130 CB ILE A 9 -3.855 6.704 10.607 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.670 7.585 11.575 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.396 5.281 10.637 1.00 0.00 C ATOM 133 CD1 ILE A 9 -6.149 7.696 11.182 1.00 0.00 C ATOM 0 H ILE A 9 -2.507 8.553 10.006 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.288 6.538 12.044 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.954 7.092 9.593 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.597 7.173 12.582 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.232 8.583 11.606 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.453 5.288 10.371 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.846 4.668 9.923 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.276 4.867 11.638 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.670 8.328 11.901 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.229 8.135 10.187 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.600 6.704 11.178 1.00 0.00 H new ATOM 145 N PHE A 10 -1.325 5.930 8.945 1.00 0.00 N ATOM 146 CA PHE A 10 -0.410 5.167 8.125 1.00 0.00 C ATOM 147 C PHE A 10 0.904 4.980 8.857 1.00 0.00 C ATOM 148 O PHE A 10 1.238 3.866 9.239 1.00 0.00 O ATOM 149 CB PHE A 10 -0.217 5.880 6.780 1.00 0.00 C ATOM 150 CG PHE A 10 0.934 5.377 5.947 1.00 0.00 C ATOM 151 CD1 PHE A 10 0.773 4.279 5.101 1.00 0.00 C ATOM 152 CD2 PHE A 10 2.207 5.931 6.120 1.00 0.00 C ATOM 153 CE1 PHE A 10 1.893 3.706 4.483 1.00 0.00 C ATOM 154 CE2 PHE A 10 3.325 5.378 5.497 1.00 0.00 C ATOM 155 CZ PHE A 10 3.166 4.266 4.657 1.00 0.00 C ATOM 0 H PHE A 10 -1.799 6.675 8.434 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.820 4.177 7.927 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.135 5.782 6.200 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.071 6.944 6.968 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.211 3.872 4.923 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.326 6.802 6.747 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.774 2.826 3.868 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.305 5.802 5.660 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.019 3.844 4.147 1.00 0.00 H new ATOM 165 N VAL A 11 1.640 6.061 9.101 1.00 0.00 N ATOM 166 CA VAL A 11 2.922 5.950 9.762 1.00 0.00 C ATOM 167 C VAL A 11 2.781 5.174 11.086 1.00 0.00 C ATOM 168 O VAL A 11 3.662 4.395 11.441 1.00 0.00 O ATOM 169 CB VAL A 11 3.564 7.348 9.888 1.00 0.00 C ATOM 170 CG1 VAL A 11 4.509 7.436 11.084 1.00 0.00 C ATOM 171 CG2 VAL A 11 4.332 7.775 8.628 1.00 0.00 C ATOM 0 H VAL A 11 1.368 7.012 8.851 1.00 0.00 H new ATOM 0 HA VAL A 11 3.616 5.359 9.164 1.00 0.00 H new ATOM 0 HB VAL A 11 2.725 8.029 10.030 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.939 8.436 11.135 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.956 7.231 12.001 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.308 6.703 10.971 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.759 8.766 8.781 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.132 7.062 8.430 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.650 7.801 7.778 1.00 0.00 H new ATOM 181 N GLN A 12 1.660 5.338 11.797 1.00 0.00 N ATOM 182 CA GLN A 12 1.403 4.621 13.039 1.00 0.00 C ATOM 183 C GLN A 12 1.298 3.091 12.910 1.00 0.00 C ATOM 184 O GLN A 12 1.524 2.423 13.917 1.00 0.00 O ATOM 185 CB GLN A 12 0.189 5.225 13.770 1.00 0.00 C ATOM 186 CG GLN A 12 0.611 5.774 15.138 1.00 0.00 C ATOM 187 CD GLN A 12 -0.440 6.704 15.727 1.00 0.00 C ATOM 188 OE1 GLN A 12 -0.329 7.924 15.587 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.445 6.148 16.397 1.00 0.00 N ATOM 0 H GLN A 12 0.909 5.972 11.523 1.00 0.00 H new ATOM 0 HA GLN A 12 2.297 4.765 13.646 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.246 6.023 13.169 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.582 4.465 13.897 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.786 4.945 15.823 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.555 6.310 15.038 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.498 5.133 16.488 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.163 6.736 16.820 1.00 0.00 H new ATOM 198 N LYS A 13 0.932 2.520 11.750 1.00 0.00 N ATOM 199 CA LYS A 13 0.812 1.056 11.613 1.00 0.00 C ATOM 200 C LYS A 13 1.316 0.445 10.296 1.00 0.00 C ATOM 201 O LYS A 13 1.227 -0.768 10.112 1.00 0.00 O ATOM 202 CB LYS A 13 -0.624 0.612 11.897 1.00 0.00 C ATOM 203 CG LYS A 13 -1.634 1.291 10.971 1.00 0.00 C ATOM 204 CD LYS A 13 -2.542 2.208 11.786 1.00 0.00 C ATOM 205 CE LYS A 13 -3.556 1.410 12.622 1.00 0.00 C ATOM 206 NZ LYS A 13 -4.607 2.280 13.174 1.00 0.00 N ATOM 0 H LYS A 13 0.716 3.042 10.901 1.00 0.00 H new ATOM 0 HA LYS A 13 1.498 0.661 12.362 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.698 -0.469 11.781 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.874 0.839 12.933 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.112 1.866 10.206 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.230 0.539 10.453 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.935 2.828 12.446 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.074 2.882 11.115 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.011 0.637 12.003 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.038 0.903 13.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.129 1.768 13.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.173 3.132 13.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.263 2.556 12.416 1.00 0.00 H new ATOM 220 N CYS A 14 1.818 1.259 9.371 1.00 0.00 N ATOM 221 CA CYS A 14 2.214 0.841 8.033 1.00 0.00 C ATOM 222 C CYS A 14 3.726 1.025 7.905 1.00 0.00 C ATOM 223 O CYS A 14 4.415 0.128 7.434 1.00 0.00 O ATOM 224 CB CYS A 14 1.511 1.651 6.969 1.00 0.00 C ATOM 225 SG CYS A 14 -0.310 1.756 7.057 1.00 0.00 S ATOM 0 H CYS A 14 1.964 2.255 9.538 1.00 0.00 H new ATOM 0 HA CYS A 14 1.935 -0.203 7.889 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.909 2.665 7.001 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.778 1.234 5.998 1.00 0.00 H new ATOM 230 N ALA A 15 4.253 2.178 8.340 1.00 0.00 N ATOM 231 CA ALA A 15 5.658 2.569 8.193 1.00 0.00 C ATOM 232 C ALA A 15 6.667 1.558 8.715 1.00 0.00 C ATOM 233 O ALA A 15 7.766 1.470 8.170 1.00 0.00 O ATOM 234 CB ALA A 15 5.908 3.911 8.854 1.00 0.00 C ATOM 0 H ALA A 15 3.694 2.885 8.818 1.00 0.00 H new ATOM 0 HA ALA A 15 5.817 2.626 7.116 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.956 4.186 8.735 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.279 4.669 8.387 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.669 3.844 9.915 1.00 0.00 H new ATOM 240 N GLN A 16 6.304 0.814 9.760 1.00 0.00 N ATOM 241 CA GLN A 16 7.065 -0.322 10.253 1.00 0.00 C ATOM 242 C GLN A 16 7.560 -1.213 9.104 1.00 0.00 C ATOM 243 O GLN A 16 8.689 -1.700 9.136 1.00 0.00 O ATOM 244 CB GLN A 16 6.196 -1.083 11.263 1.00 0.00 C ATOM 245 CG GLN A 16 4.868 -1.601 10.683 1.00 0.00 C ATOM 246 CD GLN A 16 3.904 -2.002 11.792 1.00 0.00 C ATOM 247 OE1 GLN A 16 3.366 -1.145 12.484 1.00 0.00 O ATOM 248 NE2 GLN A 16 3.680 -3.298 11.985 1.00 0.00 N ATOM 0 H GLN A 16 5.454 0.992 10.295 1.00 0.00 H new ATOM 0 HA GLN A 16 7.967 0.024 10.757 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.765 -1.928 11.652 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.981 -0.428 12.107 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.413 -0.829 10.063 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.060 -2.457 10.036 1.00 0.00 H new ATOM 0 HE21 GLN A 16 4.142 -3.989 11.394 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.046 -3.601 12.724 1.00 0.00 H new ATOM 257 N CYS A 17 6.711 -1.402 8.091 1.00 0.00 N ATOM 258 CA CYS A 17 7.014 -2.110 6.861 1.00 0.00 C ATOM 259 C CYS A 17 7.310 -1.129 5.708 1.00 0.00 C ATOM 260 O CYS A 17 8.136 -1.450 4.857 1.00 0.00 O ATOM 261 CB CYS A 17 5.874 -3.042 6.526 1.00 0.00 C ATOM 262 SG CYS A 17 5.618 -4.326 7.800 1.00 0.00 S ATOM 0 H CYS A 17 5.755 -1.048 8.114 1.00 0.00 H new ATOM 0 HA CYS A 17 7.917 -2.703 7.003 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.958 -2.463 6.410 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.071 -3.521 5.567 1.00 0.00 H new ATOM 267 N HIS A 18 6.657 0.046 5.662 1.00 0.00 N ATOM 268 CA HIS A 18 6.639 0.953 4.510 1.00 0.00 C ATOM 269 C HIS A 18 7.063 2.367 4.883 1.00 0.00 C ATOM 270 O HIS A 18 6.226 3.266 4.922 1.00 0.00 O ATOM 271 CB HIS A 18 5.211 1.061 3.971 1.00 0.00 C ATOM 272 CG HIS A 18 4.711 -0.184 3.333 1.00 0.00 C ATOM 273 ND1 HIS A 18 4.904 -0.505 2.015 1.00 0.00 N ATOM 274 CD2 HIS A 18 3.700 -0.957 3.825 1.00 0.00 C ATOM 275 CE1 HIS A 18 4.038 -1.481 1.725 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.302 -1.813 2.792 1.00 0.00 N ATOM 0 H HIS A 18 6.113 0.397 6.450 1.00 0.00 H new ATOM 0 HA HIS A 18 7.333 0.542 3.777 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.544 1.331 4.790 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.168 1.872 3.244 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.578 -0.081 1.378 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.286 -0.916 4.822 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.944 -1.943 0.753 1.00 0.00 H new ATOM 284 N THR A 19 8.337 2.620 5.148 1.00 0.00 N ATOM 285 CA THR A 19 8.755 3.936 5.606 1.00 0.00 C ATOM 286 C THR A 19 8.854 4.954 4.447 1.00 0.00 C ATOM 287 O THR A 19 9.922 5.519 4.201 1.00 0.00 O ATOM 288 CB THR A 19 10.066 3.759 6.378 1.00 0.00 C ATOM 289 OG1 THR A 19 10.078 2.532 7.086 1.00 0.00 O ATOM 290 CG2 THR A 19 10.324 4.912 7.350 1.00 0.00 C ATOM 0 H THR A 19 9.091 1.939 5.055 1.00 0.00 H new ATOM 0 HA THR A 19 8.005 4.365 6.271 1.00 0.00 H new ATOM 0 HB THR A 19 10.864 3.755 5.636 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.185 2.354 7.448 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.264 4.742 7.874 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.381 5.849 6.796 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.510 4.967 8.073 1.00 0.00 H new ATOM 298 N VAL A 20 7.746 5.222 3.741 1.00 0.00 N ATOM 299 CA VAL A 20 7.659 6.113 2.596 1.00 0.00 C ATOM 300 C VAL A 20 7.664 7.583 3.039 1.00 0.00 C ATOM 301 O VAL A 20 6.749 8.343 2.740 1.00 0.00 O ATOM 302 CB VAL A 20 6.442 5.711 1.739 1.00 0.00 C ATOM 303 CG1 VAL A 20 5.085 6.042 2.371 1.00 0.00 C ATOM 304 CG2 VAL A 20 6.540 6.331 0.342 1.00 0.00 C ATOM 0 H VAL A 20 6.847 4.798 3.972 1.00 0.00 H new ATOM 0 HA VAL A 20 8.541 6.011 1.964 1.00 0.00 H new ATOM 0 HB VAL A 20 6.481 4.624 1.670 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.285 5.726 1.702 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.990 5.519 3.323 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.014 7.117 2.539 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.673 6.036 -0.249 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.569 7.417 0.427 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.448 5.981 -0.148 1.00 0.00 H new ATOM 314 N GLU A 21 8.711 7.993 3.755 1.00 0.00 N ATOM 315 CA GLU A 21 8.951 9.397 4.070 1.00 0.00 C ATOM 316 C GLU A 21 10.455 9.640 4.243 1.00 0.00 C ATOM 317 O GLU A 21 10.880 10.487 5.024 1.00 0.00 O ATOM 318 CB GLU A 21 8.107 9.821 5.288 1.00 0.00 C ATOM 319 CG GLU A 21 7.725 11.305 5.186 1.00 0.00 C ATOM 320 CD GLU A 21 6.830 11.783 6.319 1.00 0.00 C ATOM 321 OE1 GLU A 21 6.440 10.950 7.164 1.00 0.00 O ATOM 322 OE2 GLU A 21 6.482 12.984 6.271 1.00 0.00 O ATOM 0 H GLU A 21 9.416 7.359 4.132 1.00 0.00 H new ATOM 0 HA GLU A 21 8.628 10.032 3.245 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.206 9.210 5.344 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.668 9.646 6.206 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.635 11.906 5.175 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.218 11.477 4.237 1.00 0.00 H new ATOM 329 N LYS A 22 11.268 8.862 3.518 1.00 0.00 N ATOM 330 CA LYS A 22 12.719 8.922 3.485 1.00 0.00 C ATOM 331 C LYS A 22 13.198 7.824 2.529 1.00 0.00 C ATOM 332 O LYS A 22 12.386 7.061 2.005 1.00 0.00 O ATOM 333 CB LYS A 22 13.331 8.745 4.890 1.00 0.00 C ATOM 334 CG LYS A 22 12.753 7.533 5.638 1.00 0.00 C ATOM 335 CD LYS A 22 13.551 7.163 6.897 1.00 0.00 C ATOM 336 CE LYS A 22 14.976 6.670 6.586 1.00 0.00 C ATOM 337 NZ LYS A 22 15.997 7.723 6.771 1.00 0.00 N ATOM 0 H LYS A 22 10.900 8.134 2.906 1.00 0.00 H new ATOM 0 HA LYS A 22 13.044 9.902 3.137 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.411 8.630 4.800 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.154 9.647 5.476 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.721 7.745 5.919 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.730 6.676 4.965 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.609 8.032 7.552 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.016 6.387 7.444 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.212 5.824 7.231 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.015 6.308 5.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 16.756 7.598 6.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.559 8.658 6.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.396 7.655 7.729 1.00 0.00 H new ATOM 351 N GLY A 23 14.517 7.703 2.355 1.00 0.00 N ATOM 352 CA GLY A 23 15.166 6.623 1.627 1.00 0.00 C ATOM 353 C GLY A 23 15.093 5.325 2.430 1.00 0.00 C ATOM 354 O GLY A 23 16.103 4.818 2.913 1.00 0.00 O ATOM 0 H GLY A 23 15.180 8.380 2.732 1.00 0.00 H new ATOM 0 HA2 GLY A 23 14.685 6.487 0.658 1.00 0.00 H new ATOM 0 HA3 GLY A 23 16.207 6.880 1.432 1.00 0.00 H new ATOM 358 N GLY A 24 13.876 4.815 2.596 1.00 0.00 N ATOM 359 CA GLY A 24 13.566 3.540 3.208 1.00 0.00 C ATOM 360 C GLY A 24 13.494 2.470 2.123 1.00 0.00 C ATOM 361 O GLY A 24 12.638 2.521 1.245 1.00 0.00 O ATOM 0 H GLY A 24 13.040 5.312 2.289 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.328 3.280 3.942 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.617 3.600 3.741 1.00 0.00 H new ATOM 365 N LYS A 25 14.421 1.519 2.181 1.00 0.00 N ATOM 366 CA LYS A 25 14.482 0.373 1.294 1.00 0.00 C ATOM 367 C LYS A 25 13.286 -0.559 1.500 1.00 0.00 C ATOM 368 O LYS A 25 12.515 -0.444 2.452 1.00 0.00 O ATOM 369 CB LYS A 25 15.807 -0.372 1.519 1.00 0.00 C ATOM 370 CG LYS A 25 15.791 -1.154 2.841 1.00 0.00 C ATOM 371 CD LYS A 25 17.220 -1.451 3.305 1.00 0.00 C ATOM 372 CE LYS A 25 17.191 -2.218 4.635 1.00 0.00 C ATOM 373 NZ LYS A 25 18.534 -2.302 5.246 1.00 0.00 N ATOM 0 H LYS A 25 15.173 1.529 2.871 1.00 0.00 H new ATOM 0 HA LYS A 25 14.437 0.724 0.263 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.986 -1.058 0.691 1.00 0.00 H new ATOM 0 HB3 LYS A 25 16.631 0.341 1.526 1.00 0.00 H new ATOM 0 HG2 LYS A 25 15.266 -0.579 3.604 1.00 0.00 H new ATOM 0 HG3 LYS A 25 15.243 -2.087 2.712 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.742 -2.037 2.549 1.00 0.00 H new ATOM 0 HD3 LYS A 25 17.773 -0.520 3.425 1.00 0.00 H new ATOM 0 HE2 LYS A 25 16.507 -1.724 5.325 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.804 -3.223 4.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.476 -2.827 6.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 19.180 -2.795 4.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.893 -1.343 5.429 1.00 0.00 H new ATOM 387 N HIS A 26 13.197 -1.543 0.615 1.00 0.00 N ATOM 388 CA HIS A 26 12.047 -2.421 0.480 1.00 0.00 C ATOM 389 C HIS A 26 12.214 -3.628 1.405 1.00 0.00 C ATOM 390 O HIS A 26 12.462 -4.740 0.945 1.00 0.00 O ATOM 391 CB HIS A 26 11.873 -2.857 -0.983 1.00 0.00 C ATOM 392 CG HIS A 26 12.231 -1.834 -2.034 1.00 0.00 C ATOM 393 ND1 HIS A 26 12.987 -2.088 -3.157 1.00 0.00 N ATOM 394 CD2 HIS A 26 12.050 -0.479 -1.960 1.00 0.00 C ATOM 395 CE1 HIS A 26 13.252 -0.911 -3.747 1.00 0.00 C ATOM 396 NE2 HIS A 26 12.716 0.098 -3.045 1.00 0.00 N ATOM 0 H HIS A 26 13.944 -1.757 -0.046 1.00 0.00 H new ATOM 0 HA HIS A 26 11.145 -1.884 0.772 1.00 0.00 H new ATOM 0 HB2 HIS A 26 12.482 -3.746 -1.150 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.834 -3.150 -1.131 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.493 0.049 -1.200 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.818 -0.794 -4.659 1.00 0.00 H new ATOM 0 HE2 HIS A 26 12.782 1.093 -3.261 1.00 0.00 H new ATOM 404 N LYS A 27 12.150 -3.410 2.718 1.00 0.00 N ATOM 405 CA LYS A 27 12.452 -4.479 3.663 1.00 0.00 C ATOM 406 C LYS A 27 11.275 -5.452 3.771 1.00 0.00 C ATOM 407 O LYS A 27 11.299 -6.532 3.181 1.00 0.00 O ATOM 408 CB LYS A 27 12.894 -3.897 5.012 1.00 0.00 C ATOM 409 CG LYS A 27 13.392 -5.025 5.931 1.00 0.00 C ATOM 410 CD LYS A 27 13.787 -4.506 7.319 1.00 0.00 C ATOM 411 CE LYS A 27 14.861 -5.424 7.926 1.00 0.00 C ATOM 412 NZ LYS A 27 15.160 -5.093 9.336 1.00 0.00 N ATOM 0 H LYS A 27 11.896 -2.519 3.144 1.00 0.00 H new ATOM 0 HA LYS A 27 13.295 -5.063 3.293 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.686 -3.164 4.860 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.062 -3.374 5.482 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.611 -5.779 6.035 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.249 -5.516 5.470 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.166 -3.487 7.243 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.912 -4.473 7.969 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.527 -6.460 7.863 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.775 -5.347 7.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.889 -5.740 9.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.505 -4.114 9.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.296 -5.192 9.906 1.00 0.00 H new ATOM 426 N THR A 28 10.259 -5.084 4.551 1.00 0.00 N ATOM 427 CA THR A 28 9.072 -5.901 4.761 1.00 0.00 C ATOM 428 C THR A 28 7.887 -5.295 4.006 1.00 0.00 C ATOM 429 O THR A 28 6.769 -5.762 4.169 1.00 0.00 O ATOM 430 CB THR A 28 8.791 -6.035 6.270 1.00 0.00 C ATOM 431 OG1 THR A 28 10.009 -6.070 6.994 1.00 0.00 O ATOM 432 CG2 THR A 28 8.024 -7.324 6.596 1.00 0.00 C ATOM 0 H THR A 28 10.240 -4.200 5.059 1.00 0.00 H new ATOM 0 HA THR A 28 9.235 -6.904 4.367 1.00 0.00 H new ATOM 0 HB THR A 28 8.189 -5.172 6.554 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.818 -6.154 7.952 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.846 -7.380 7.670 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.069 -7.322 6.070 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.611 -8.186 6.280 1.00 0.00 H new ATOM 440 N GLY A 29 8.118 -4.277 3.173 1.00 0.00 N ATOM 441 CA GLY A 29 7.102 -3.530 2.471 1.00 0.00 C ATOM 442 C GLY A 29 7.879 -2.587 1.556 1.00 0.00 C ATOM 443 O GLY A 29 8.908 -2.057 1.975 1.00 0.00 O ATOM 0 H GLY A 29 9.061 -3.947 2.969 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.450 -4.190 1.898 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.467 -2.977 3.163 1.00 0.00 H new ATOM 447 N PRO A 30 7.485 -2.436 0.290 1.00 0.00 N ATOM 448 CA PRO A 30 8.149 -1.531 -0.631 1.00 0.00 C ATOM 449 C PRO A 30 7.743 -0.092 -0.308 1.00 0.00 C ATOM 450 O PRO A 30 6.577 0.175 -0.019 1.00 0.00 O ATOM 451 CB PRO A 30 7.688 -1.972 -2.020 1.00 0.00 C ATOM 452 CG PRO A 30 6.303 -2.556 -1.749 1.00 0.00 C ATOM 453 CD PRO A 30 6.412 -3.164 -0.358 1.00 0.00 C ATOM 0 HA PRO A 30 9.236 -1.562 -0.564 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.644 -1.134 -2.716 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.361 -2.712 -2.453 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.533 -1.785 -1.786 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.037 -3.308 -2.491 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.477 -3.060 0.192 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.634 -4.230 -0.410 1.00 0.00 H new ATOM 461 N ASN A 31 8.686 0.852 -0.350 1.00 0.00 N ATOM 462 CA ASN A 31 8.348 2.263 -0.242 1.00 0.00 C ATOM 463 C ASN A 31 7.380 2.639 -1.367 1.00 0.00 C ATOM 464 O ASN A 31 7.589 2.294 -2.528 1.00 0.00 O ATOM 465 CB ASN A 31 9.601 3.147 -0.241 1.00 0.00 C ATOM 466 CG ASN A 31 10.357 3.142 -1.568 1.00 0.00 C ATOM 467 OD1 ASN A 31 10.463 2.117 -2.228 1.00 0.00 O ATOM 468 ND2 ASN A 31 10.902 4.286 -1.974 1.00 0.00 N ATOM 0 H ASN A 31 9.682 0.661 -0.457 1.00 0.00 H new ATOM 0 HA ASN A 31 7.855 2.438 0.714 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.313 4.170 -0.001 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.271 2.811 0.550 1.00 0.00 H new ATOM 0 HD21 ASN A 31 11.421 4.321 -2.852 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.801 5.128 -1.408 1.00 0.00 H new ATOM 475 N LEU A 32 6.289 3.317 -1.015 1.00 0.00 N ATOM 476 CA LEU A 32 5.124 3.474 -1.873 1.00 0.00 C ATOM 477 C LEU A 32 5.343 4.614 -2.888 1.00 0.00 C ATOM 478 O LEU A 32 4.550 5.550 -2.986 1.00 0.00 O ATOM 479 CB LEU A 32 3.893 3.671 -0.965 1.00 0.00 C ATOM 480 CG LEU A 32 3.701 2.561 0.088 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.556 2.929 1.034 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.360 1.222 -0.564 1.00 0.00 C ATOM 0 H LEU A 32 6.192 3.779 -0.111 1.00 0.00 H new ATOM 0 HA LEU A 32 4.955 2.586 -2.482 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.982 4.630 -0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.000 3.724 -1.588 1.00 0.00 H new ATOM 0 HG LEU A 32 4.640 2.468 0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.428 2.139 1.774 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.789 3.866 1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.635 3.044 0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.232 0.463 0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.436 1.320 -1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.169 0.926 -1.232 1.00 0.00 H new ATOM 494 N HIS A 33 6.449 4.551 -3.638 1.00 0.00 N ATOM 495 CA HIS A 33 6.987 5.666 -4.408 1.00 0.00 C ATOM 496 C HIS A 33 6.284 5.827 -5.762 1.00 0.00 C ATOM 497 O HIS A 33 6.848 5.569 -6.832 1.00 0.00 O ATOM 498 CB HIS A 33 8.507 5.511 -4.530 1.00 0.00 C ATOM 499 CG HIS A 33 9.178 6.718 -5.134 1.00 0.00 C ATOM 500 ND1 HIS A 33 9.212 7.985 -4.592 1.00 0.00 N ATOM 501 CD2 HIS A 33 9.800 6.770 -6.352 1.00 0.00 C ATOM 502 CE1 HIS A 33 9.849 8.779 -5.470 1.00 0.00 C ATOM 503 NE2 HIS A 33 10.221 8.086 -6.560 1.00 0.00 N ATOM 0 H HIS A 33 7.005 3.700 -3.725 1.00 0.00 H new ATOM 0 HA HIS A 33 6.786 6.597 -3.877 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.928 5.325 -3.542 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.729 4.636 -5.141 1.00 0.00 H new ATOM 0 HD2 HIS A 33 9.940 5.942 -7.031 1.00 0.00 H new ATOM 0 HE1 HIS A 33 10.037 9.832 -5.320 1.00 0.00 H new ATOM 0 HE2 HIS A 33 10.713 8.449 -7.377 1.00 0.00 H new ATOM 511 N GLY A 34 5.037 6.289 -5.700 1.00 0.00 N ATOM 512 CA GLY A 34 4.211 6.622 -6.849 1.00 0.00 C ATOM 513 C GLY A 34 2.855 5.974 -6.641 1.00 0.00 C ATOM 514 O GLY A 34 1.874 6.643 -6.337 1.00 0.00 O ATOM 0 H GLY A 34 4.560 6.446 -4.812 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.108 7.703 -6.947 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.671 6.261 -7.769 1.00 0.00 H new ATOM 518 N LEU A 35 2.812 4.646 -6.732 1.00 0.00 N ATOM 519 CA LEU A 35 1.615 3.881 -6.433 1.00 0.00 C ATOM 520 C LEU A 35 0.552 4.134 -7.511 1.00 0.00 C ATOM 521 O LEU A 35 0.438 3.359 -8.457 1.00 0.00 O ATOM 522 CB LEU A 35 1.168 4.167 -4.974 1.00 0.00 C ATOM 523 CG LEU A 35 0.996 2.921 -4.100 1.00 0.00 C ATOM 524 CD1 LEU A 35 -0.127 2.074 -4.667 1.00 0.00 C ATOM 525 CD2 LEU A 35 2.270 2.078 -3.991 1.00 0.00 C ATOM 0 H LEU A 35 3.609 4.075 -7.015 1.00 0.00 H new ATOM 0 HA LEU A 35 1.806 2.809 -6.472 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.902 4.824 -4.506 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.223 4.710 -4.998 1.00 0.00 H new ATOM 0 HG LEU A 35 0.761 3.262 -3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.258 1.184 -4.052 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.052 2.651 -4.671 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.120 1.777 -5.686 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.080 1.211 -3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.571 1.744 -4.984 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.067 2.679 -3.553 1.00 0.00 H new ATOM 537 N PHE A 36 -0.178 5.244 -7.426 1.00 0.00 N ATOM 538 CA PHE A 36 -1.219 5.590 -8.382 1.00 0.00 C ATOM 539 C PHE A 36 -0.623 5.707 -9.779 1.00 0.00 C ATOM 540 O PHE A 36 0.253 6.539 -10.003 1.00 0.00 O ATOM 541 CB PHE A 36 -1.921 6.881 -7.952 1.00 0.00 C ATOM 542 CG PHE A 36 -2.764 6.679 -6.710 1.00 0.00 C ATOM 543 CD1 PHE A 36 -4.045 6.108 -6.833 1.00 0.00 C ATOM 544 CD2 PHE A 36 -2.172 6.786 -5.438 1.00 0.00 C ATOM 545 CE1 PHE A 36 -4.721 5.642 -5.695 1.00 0.00 C ATOM 546 CE2 PHE A 36 -2.841 6.294 -4.309 1.00 0.00 C ATOM 547 CZ PHE A 36 -4.123 5.742 -4.431 1.00 0.00 C ATOM 0 H PHE A 36 -0.060 5.933 -6.683 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.970 4.800 -8.406 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.176 7.654 -7.763 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.553 7.239 -8.765 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.508 6.028 -7.805 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.201 7.248 -5.332 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.704 5.205 -5.793 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.366 6.341 -3.340 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.649 5.395 -3.554 1.00 0.00 H new ATOM 557 N GLY A 37 -1.066 4.858 -10.713 1.00 0.00 N ATOM 558 CA GLY A 37 -0.524 4.868 -12.066 1.00 0.00 C ATOM 559 C GLY A 37 0.667 3.916 -12.220 1.00 0.00 C ATOM 560 O GLY A 37 0.966 3.472 -13.328 1.00 0.00 O ATOM 0 H GLY A 37 -1.794 4.161 -10.553 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.306 4.586 -12.771 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.213 5.881 -12.324 1.00 0.00 H new ATOM 564 N ARG A 38 1.376 3.614 -11.129 1.00 0.00 N ATOM 565 CA ARG A 38 2.620 2.873 -11.170 1.00 0.00 C ATOM 566 C ARG A 38 2.309 1.379 -11.142 1.00 0.00 C ATOM 567 O ARG A 38 2.092 0.796 -10.083 1.00 0.00 O ATOM 568 CB ARG A 38 3.500 3.325 -10.001 1.00 0.00 C ATOM 569 CG ARG A 38 4.903 2.709 -10.057 1.00 0.00 C ATOM 570 CD ARG A 38 5.974 3.727 -9.639 1.00 0.00 C ATOM 571 NE ARG A 38 6.169 4.748 -10.682 1.00 0.00 N ATOM 572 CZ ARG A 38 6.955 5.833 -10.581 1.00 0.00 C ATOM 573 NH1 ARG A 38 7.476 6.200 -9.403 1.00 0.00 N ATOM 574 NH2 ARG A 38 7.219 6.548 -11.683 1.00 0.00 N ATOM 0 H ARG A 38 1.092 3.884 -10.187 1.00 0.00 H new ATOM 0 HA ARG A 38 3.173 3.068 -12.089 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.582 4.412 -10.010 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.022 3.049 -9.061 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.948 1.840 -9.401 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.108 2.356 -11.068 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.679 4.207 -8.706 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.916 3.212 -9.449 1.00 0.00 H new ATOM 0 HE ARG A 38 5.663 4.620 -11.558 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.278 5.653 -8.565 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.071 7.026 -9.344 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.825 6.266 -12.581 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.814 7.375 -11.624 1.00 0.00 H new ATOM 588 N LYS A 39 2.274 0.771 -12.329 1.00 0.00 N ATOM 589 CA LYS A 39 2.013 -0.649 -12.497 1.00 0.00 C ATOM 590 C LYS A 39 2.934 -1.493 -11.611 1.00 0.00 C ATOM 591 O LYS A 39 4.154 -1.391 -11.730 1.00 0.00 O ATOM 592 CB LYS A 39 2.091 -1.020 -13.986 1.00 0.00 C ATOM 593 CG LYS A 39 3.511 -0.936 -14.564 1.00 0.00 C ATOM 594 CD LYS A 39 3.461 -0.907 -16.095 1.00 0.00 C ATOM 595 CE LYS A 39 4.880 -1.016 -16.675 1.00 0.00 C ATOM 596 NZ LYS A 39 4.890 -0.936 -18.151 1.00 0.00 N ATOM 0 H LYS A 39 2.429 1.263 -13.209 1.00 0.00 H new ATOM 0 HA LYS A 39 1.000 -0.874 -12.162 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.712 -2.033 -14.120 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.437 -0.357 -14.552 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.010 -0.041 -14.193 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.099 -1.791 -14.229 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.846 -1.729 -16.462 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.992 0.017 -16.433 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.500 -0.218 -16.266 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.327 -1.959 -16.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.868 -1.014 -18.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.321 -1.712 -18.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.488 -0.025 -18.452 1.00 0.00 H new ATOM 610 N THR A 40 2.358 -2.308 -10.722 1.00 0.00 N ATOM 611 CA THR A 40 3.152 -3.221 -9.907 1.00 0.00 C ATOM 612 C THR A 40 3.450 -4.500 -10.695 1.00 0.00 C ATOM 613 O THR A 40 3.335 -4.542 -11.920 1.00 0.00 O ATOM 614 CB THR A 40 2.472 -3.477 -8.561 1.00 0.00 C ATOM 615 OG1 THR A 40 3.352 -4.130 -7.673 1.00 0.00 O ATOM 616 CG2 THR A 40 1.190 -4.303 -8.671 1.00 0.00 C ATOM 0 H THR A 40 1.353 -2.352 -10.552 1.00 0.00 H new ATOM 0 HA THR A 40 4.114 -2.765 -9.673 1.00 0.00 H new ATOM 0 HB THR A 40 2.201 -2.492 -8.181 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.562 -3.534 -6.924 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.762 -4.445 -7.678 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.473 -3.780 -9.303 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.419 -5.274 -9.110 1.00 0.00 H new ATOM 624 N GLY A 41 3.795 -5.560 -9.970 1.00 0.00 N ATOM 625 CA GLY A 41 4.014 -6.893 -10.505 1.00 0.00 C ATOM 626 C GLY A 41 5.392 -7.030 -11.166 1.00 0.00 C ATOM 627 O GLY A 41 5.663 -8.037 -11.818 1.00 0.00 O ATOM 0 H GLY A 41 3.934 -5.509 -8.961 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.923 -7.625 -9.702 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.238 -7.122 -11.235 1.00 0.00 H new ATOM 631 N GLN A 42 6.268 -6.023 -11.025 1.00 0.00 N ATOM 632 CA GLN A 42 7.552 -5.974 -11.716 1.00 0.00 C ATOM 633 C GLN A 42 8.444 -4.885 -11.102 1.00 0.00 C ATOM 634 O GLN A 42 8.575 -3.797 -11.658 1.00 0.00 O ATOM 635 CB GLN A 42 7.309 -5.745 -13.222 1.00 0.00 C ATOM 636 CG GLN A 42 8.580 -5.945 -14.054 1.00 0.00 C ATOM 637 CD GLN A 42 8.285 -5.801 -15.545 1.00 0.00 C ATOM 638 OE1 GLN A 42 7.868 -4.743 -16.006 1.00 0.00 O ATOM 639 NE2 GLN A 42 8.488 -6.863 -16.321 1.00 0.00 N ATOM 0 H GLN A 42 6.098 -5.218 -10.423 1.00 0.00 H new ATOM 0 HA GLN A 42 8.077 -6.922 -11.598 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.537 -6.431 -13.571 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.931 -4.734 -13.377 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.333 -5.215 -13.756 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.997 -6.932 -13.856 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.835 -7.732 -15.915 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.296 -6.808 -17.321 1.00 0.00 H new ATOM 648 N ALA A 43 9.069 -5.174 -9.958 1.00 0.00 N ATOM 649 CA ALA A 43 10.053 -4.288 -9.336 1.00 0.00 C ATOM 650 C ALA A 43 11.447 -4.583 -9.902 1.00 0.00 C ATOM 651 O ALA A 43 11.689 -5.700 -10.355 1.00 0.00 O ATOM 652 CB ALA A 43 10.060 -4.496 -7.818 1.00 0.00 C ATOM 0 H ALA A 43 8.905 -6.034 -9.435 1.00 0.00 H new ATOM 0 HA ALA A 43 9.786 -3.254 -9.553 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.795 -3.832 -7.363 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.072 -4.273 -7.416 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.318 -5.531 -7.594 1.00 0.00 H new ATOM 658 N PRO A 44 12.391 -3.627 -9.840 1.00 0.00 N ATOM 659 CA PRO A 44 13.756 -3.833 -10.307 1.00 0.00 C ATOM 660 C PRO A 44 14.571 -4.784 -9.422 1.00 0.00 C ATOM 661 O PRO A 44 15.607 -5.276 -9.861 1.00 0.00 O ATOM 662 CB PRO A 44 14.383 -2.436 -10.361 1.00 0.00 C ATOM 663 CG PRO A 44 13.608 -1.661 -9.297 1.00 0.00 C ATOM 664 CD PRO A 44 12.202 -2.250 -9.409 1.00 0.00 C ATOM 0 HA PRO A 44 13.751 -4.322 -11.281 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.450 -2.465 -10.140 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.274 -1.984 -11.347 1.00 0.00 H new ATOM 0 HG2 PRO A 44 14.030 -1.807 -8.303 1.00 0.00 H new ATOM 0 HG3 PRO A 44 13.614 -0.589 -9.492 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.681 -2.206 -8.453 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.599 -1.693 -10.127 1.00 0.00 H new ATOM 672 N GLY A 45 14.134 -5.024 -8.182 1.00 0.00 N ATOM 673 CA GLY A 45 14.821 -5.907 -7.245 1.00 0.00 C ATOM 674 C GLY A 45 13.819 -6.749 -6.461 1.00 0.00 C ATOM 675 O GLY A 45 13.409 -7.821 -6.901 1.00 0.00 O ATOM 0 H GLY A 45 13.286 -4.605 -7.801 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.505 -6.559 -7.788 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.424 -5.315 -6.556 1.00 0.00 H new ATOM 679 N PHE A 46 13.407 -6.259 -5.289 1.00 0.00 N ATOM 680 CA PHE A 46 12.407 -6.935 -4.474 1.00 0.00 C ATOM 681 C PHE A 46 11.059 -6.772 -5.168 1.00 0.00 C ATOM 682 O PHE A 46 10.371 -5.775 -4.966 1.00 0.00 O ATOM 683 CB PHE A 46 12.406 -6.378 -3.042 1.00 0.00 C ATOM 684 CG PHE A 46 11.177 -6.714 -2.214 1.00 0.00 C ATOM 685 CD1 PHE A 46 10.954 -8.013 -1.716 1.00 0.00 C ATOM 686 CD2 PHE A 46 10.207 -5.720 -2.003 1.00 0.00 C ATOM 687 CE1 PHE A 46 9.787 -8.288 -0.975 1.00 0.00 C ATOM 688 CE2 PHE A 46 9.084 -5.981 -1.210 1.00 0.00 C ATOM 689 CZ PHE A 46 8.865 -7.267 -0.698 1.00 0.00 C ATOM 0 H PHE A 46 13.756 -5.390 -4.885 1.00 0.00 H new ATOM 0 HA PHE A 46 12.632 -7.997 -4.380 1.00 0.00 H new ATOM 0 HB2 PHE A 46 13.287 -6.755 -2.523 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.505 -5.294 -3.092 1.00 0.00 H new ATOM 0 HD1 PHE A 46 11.675 -8.795 -1.901 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.329 -4.747 -2.456 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.601 -9.290 -0.618 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.383 -5.188 -0.992 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.993 -7.471 -0.095 1.00 0.00 H new ATOM 699 N THR A 47 10.698 -7.749 -6.002 1.00 0.00 N ATOM 700 CA THR A 47 9.394 -7.809 -6.646 1.00 0.00 C ATOM 701 C THR A 47 8.459 -8.760 -5.891 1.00 0.00 C ATOM 702 O THR A 47 7.591 -9.390 -6.487 1.00 0.00 O ATOM 703 CB THR A 47 9.554 -8.072 -8.151 1.00 0.00 C ATOM 704 OG1 THR A 47 8.383 -7.689 -8.854 1.00 0.00 O ATOM 705 CG2 THR A 47 9.955 -9.510 -8.473 1.00 0.00 C ATOM 0 H THR A 47 11.312 -8.526 -6.249 1.00 0.00 H new ATOM 0 HA THR A 47 8.892 -6.843 -6.589 1.00 0.00 H new ATOM 0 HB THR A 47 10.383 -7.450 -8.490 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.594 -8.040 -8.391 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.051 -9.628 -9.552 1.00 0.00 H new ATOM 0 HG22 THR A 47 10.909 -9.737 -7.997 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.192 -10.193 -8.100 1.00 0.00 H new ATOM 713 N TYR A 48 8.580 -8.783 -4.559 1.00 0.00 N ATOM 714 CA TYR A 48 7.614 -9.407 -3.666 1.00 0.00 C ATOM 715 C TYR A 48 7.526 -10.926 -3.884 1.00 0.00 C ATOM 716 O TYR A 48 8.432 -11.535 -4.451 1.00 0.00 O ATOM 717 CB TYR A 48 6.244 -8.698 -3.743 1.00 0.00 C ATOM 718 CG TYR A 48 6.154 -7.406 -4.541 1.00 0.00 C ATOM 719 CD1 TYR A 48 6.967 -6.299 -4.230 1.00 0.00 C ATOM 720 CD2 TYR A 48 5.360 -7.374 -5.700 1.00 0.00 C ATOM 721 CE1 TYR A 48 7.059 -5.218 -5.126 1.00 0.00 C ATOM 722 CE2 TYR A 48 5.381 -6.256 -6.538 1.00 0.00 C ATOM 723 CZ TYR A 48 6.242 -5.186 -6.270 1.00 0.00 C ATOM 724 OH TYR A 48 6.478 -4.280 -7.259 1.00 0.00 O ATOM 0 H TYR A 48 9.368 -8.359 -4.069 1.00 0.00 H new ATOM 0 HA TYR A 48 7.971 -9.279 -2.644 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.527 -9.402 -4.165 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.920 -8.485 -2.724 1.00 0.00 H new ATOM 0 HD1 TYR A 48 7.520 -6.280 -3.303 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.731 -8.217 -5.944 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.755 -4.415 -4.936 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.729 -6.218 -7.398 1.00 0.00 H new ATOM 0 HH TYR A 48 5.626 -3.992 -7.649 1.00 0.00 H new ATOM 734 N THR A 49 6.448 -11.546 -3.396 1.00 0.00 N ATOM 735 CA THR A 49 6.096 -12.920 -3.710 1.00 0.00 C ATOM 736 C THR A 49 5.601 -13.008 -5.156 1.00 0.00 C ATOM 737 O THR A 49 5.206 -12.003 -5.739 1.00 0.00 O ATOM 738 CB THR A 49 4.992 -13.362 -2.738 1.00 0.00 C ATOM 739 OG1 THR A 49 3.996 -12.356 -2.677 1.00 0.00 O ATOM 740 CG2 THR A 49 5.564 -13.543 -1.333 1.00 0.00 C ATOM 0 H THR A 49 5.789 -11.094 -2.762 1.00 0.00 H new ATOM 0 HA THR A 49 6.964 -13.572 -3.606 1.00 0.00 H new ATOM 0 HB THR A 49 4.574 -14.304 -3.092 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.037 -11.908 -1.807 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.770 -13.856 -0.655 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.345 -14.303 -1.353 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.985 -12.599 -0.987 1.00 0.00 H new ATOM 748 N ASP A 50 5.553 -14.225 -5.697 1.00 0.00 N ATOM 749 CA ASP A 50 4.826 -14.615 -6.897 1.00 0.00 C ATOM 750 C ASP A 50 3.401 -14.075 -6.864 1.00 0.00 C ATOM 751 O ASP A 50 2.938 -13.542 -7.858 1.00 0.00 O ATOM 752 CB ASP A 50 4.820 -16.150 -6.987 1.00 0.00 C ATOM 753 CG ASP A 50 4.092 -16.816 -5.821 1.00 0.00 C ATOM 754 OD1 ASP A 50 4.154 -16.232 -4.712 1.00 0.00 O ATOM 755 OD2 ASP A 50 3.471 -17.868 -6.065 1.00 0.00 O ATOM 0 H ASP A 50 6.053 -15.011 -5.281 1.00 0.00 H new ATOM 0 HA ASP A 50 5.316 -14.195 -7.775 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.348 -16.451 -7.922 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.848 -16.510 -7.019 1.00 0.00 H new ATOM 760 N ALA A 51 2.698 -14.193 -5.742 1.00 0.00 N ATOM 761 CA ALA A 51 1.285 -13.844 -5.668 1.00 0.00 C ATOM 762 C ALA A 51 1.037 -12.391 -6.061 1.00 0.00 C ATOM 763 O ALA A 51 0.129 -12.099 -6.839 1.00 0.00 O ATOM 764 CB ALA A 51 0.756 -14.156 -4.265 1.00 0.00 C ATOM 0 H ALA A 51 3.090 -14.531 -4.863 1.00 0.00 H new ATOM 0 HA ALA A 51 0.737 -14.449 -6.390 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.301 -13.895 -4.208 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.879 -15.219 -4.058 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.313 -13.576 -3.529 1.00 0.00 H new ATOM 770 N ASN A 52 1.852 -11.474 -5.541 1.00 0.00 N ATOM 771 CA ASN A 52 1.768 -10.076 -5.908 1.00 0.00 C ATOM 772 C ASN A 52 2.441 -9.857 -7.264 1.00 0.00 C ATOM 773 O ASN A 52 1.920 -9.127 -8.104 1.00 0.00 O ATOM 774 CB ASN A 52 2.435 -9.221 -4.837 1.00 0.00 C ATOM 775 CG ASN A 52 1.835 -9.352 -3.440 1.00 0.00 C ATOM 776 OD1 ASN A 52 0.858 -8.713 -3.069 1.00 0.00 O ATOM 777 ND2 ASN A 52 2.451 -10.174 -2.601 1.00 0.00 N ATOM 0 H ASN A 52 2.581 -11.685 -4.859 1.00 0.00 H new ATOM 0 HA ASN A 52 0.721 -9.783 -5.986 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.491 -9.485 -4.788 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.382 -8.176 -5.142 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.111 -10.275 -1.645 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.264 -10.705 -2.912 1.00 0.00 H new ATOM 784 N LYS A 53 3.585 -10.507 -7.507 1.00 0.00 N ATOM 785 CA LYS A 53 4.330 -10.347 -8.754 1.00 0.00 C ATOM 786 C LYS A 53 3.430 -10.681 -9.945 1.00 0.00 C ATOM 787 O LYS A 53 3.509 -10.072 -11.008 1.00 0.00 O ATOM 788 CB LYS A 53 5.597 -11.211 -8.737 1.00 0.00 C ATOM 789 CG LYS A 53 6.477 -11.005 -9.978 1.00 0.00 C ATOM 790 CD LYS A 53 6.255 -12.113 -11.017 1.00 0.00 C ATOM 791 CE LYS A 53 6.959 -11.747 -12.330 1.00 0.00 C ATOM 792 NZ LYS A 53 6.855 -12.832 -13.328 1.00 0.00 N ATOM 0 H LYS A 53 4.016 -11.154 -6.847 1.00 0.00 H new ATOM 0 HA LYS A 53 4.647 -9.309 -8.854 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.177 -10.979 -7.844 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.314 -12.261 -8.669 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.255 -10.036 -10.425 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.526 -10.987 -9.682 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.641 -13.060 -10.639 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.188 -12.250 -11.192 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.520 -10.836 -12.736 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.010 -11.534 -12.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.342 -12.548 -14.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.296 -13.695 -12.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.853 -13.018 -13.535 1.00 0.00 H new ATOM 806 N ASN A 54 2.574 -11.680 -9.750 1.00 0.00 N ATOM 807 CA ASN A 54 1.687 -12.238 -10.744 1.00 0.00 C ATOM 808 C ASN A 54 0.541 -11.271 -11.078 1.00 0.00 C ATOM 809 O ASN A 54 -0.129 -11.458 -12.088 1.00 0.00 O ATOM 810 CB ASN A 54 1.142 -13.580 -10.233 1.00 0.00 C ATOM 811 CG ASN A 54 0.271 -14.299 -11.259 1.00 0.00 C ATOM 812 OD1 ASN A 54 0.636 -14.412 -12.424 1.00 0.00 O ATOM 813 ND2 ASN A 54 -0.867 -14.835 -10.826 1.00 0.00 N ATOM 0 H ASN A 54 2.482 -12.140 -8.844 1.00 0.00 H new ATOM 0 HA ASN A 54 2.245 -12.401 -11.666 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.977 -14.224 -9.958 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.560 -13.409 -9.327 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.462 -15.357 -11.469 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.144 -14.724 -9.851 1.00 0.00 H new ATOM 820 N LYS A 55 0.264 -10.269 -10.227 1.00 0.00 N ATOM 821 CA LYS A 55 -0.925 -9.436 -10.398 1.00 0.00 C ATOM 822 C LYS A 55 -0.806 -8.492 -11.593 1.00 0.00 C ATOM 823 O LYS A 55 -1.607 -8.576 -12.519 1.00 0.00 O ATOM 824 CB LYS A 55 -1.249 -8.659 -9.113 1.00 0.00 C ATOM 825 CG LYS A 55 -2.192 -9.458 -8.209 1.00 0.00 C ATOM 826 CD LYS A 55 -3.655 -9.239 -8.635 1.00 0.00 C ATOM 827 CE LYS A 55 -4.563 -10.369 -8.129 1.00 0.00 C ATOM 828 NZ LYS A 55 -5.995 -10.070 -8.336 1.00 0.00 N ATOM 0 H LYS A 55 0.843 -10.023 -9.424 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.755 -10.111 -10.607 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.327 -8.437 -8.576 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.707 -7.703 -9.368 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.946 -10.518 -8.262 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.059 -9.151 -7.172 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.009 -8.284 -8.246 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.714 -9.182 -9.722 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.309 -11.295 -8.644 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.378 -10.534 -7.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.570 -10.860 -7.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.246 -9.201 -7.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.179 -9.939 -9.351 1.00 0.00 H new ATOM 842 N GLY A 56 0.144 -7.554 -11.543 1.00 0.00 N ATOM 843 CA GLY A 56 0.296 -6.544 -12.583 1.00 0.00 C ATOM 844 C GLY A 56 -0.942 -5.648 -12.687 1.00 0.00 C ATOM 845 O GLY A 56 -1.731 -5.771 -13.620 1.00 0.00 O ATOM 0 H GLY A 56 0.822 -7.477 -10.785 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.172 -5.931 -12.370 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.474 -7.032 -13.541 1.00 0.00 H new ATOM 849 N ILE A 57 -1.103 -4.718 -11.739 1.00 0.00 N ATOM 850 CA ILE A 57 -2.185 -3.748 -11.712 1.00 0.00 C ATOM 851 C ILE A 57 -1.620 -2.351 -11.502 1.00 0.00 C ATOM 852 O ILE A 57 -0.556 -2.182 -10.917 1.00 0.00 O ATOM 853 CB ILE A 57 -3.193 -4.056 -10.597 1.00 0.00 C ATOM 854 CG1 ILE A 57 -2.547 -4.342 -9.231 1.00 0.00 C ATOM 855 CG2 ILE A 57 -4.125 -5.201 -11.006 1.00 0.00 C ATOM 856 CD1 ILE A 57 -3.246 -3.561 -8.124 1.00 0.00 C ATOM 0 H ILE A 57 -0.462 -4.623 -10.951 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.704 -3.805 -12.669 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.776 -3.144 -10.466 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.598 -5.409 -9.016 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.491 -4.073 -9.260 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.831 -5.401 -10.200 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.672 -4.921 -11.906 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.536 -6.097 -11.204 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.771 -3.780 -7.168 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.172 -2.493 -8.330 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.296 -3.850 -8.082 1.00 0.00 H new ATOM 868 N THR A 58 -2.371 -1.350 -11.955 1.00 0.00 N ATOM 869 CA THR A 58 -1.991 0.054 -12.015 1.00 0.00 C ATOM 870 C THR A 58 -2.214 0.792 -10.686 1.00 0.00 C ATOM 871 O THR A 58 -2.160 2.022 -10.653 1.00 0.00 O ATOM 872 CB THR A 58 -2.802 0.652 -13.175 1.00 0.00 C ATOM 873 OG1 THR A 58 -2.950 -0.346 -14.172 1.00 0.00 O ATOM 874 CG2 THR A 58 -2.145 1.883 -13.792 1.00 0.00 C ATOM 0 H THR A 58 -3.314 -1.509 -12.310 1.00 0.00 H new ATOM 0 HA THR A 58 -0.920 0.163 -12.188 1.00 0.00 H new ATOM 0 HB THR A 58 -3.765 0.974 -12.778 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.467 0.015 -14.922 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.766 2.258 -14.605 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.036 2.657 -13.032 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.162 1.615 -14.180 1.00 0.00 H new ATOM 882 N TRP A 59 -2.484 0.037 -9.611 1.00 0.00 N ATOM 883 CA TRP A 59 -2.727 0.537 -8.266 1.00 0.00 C ATOM 884 C TRP A 59 -3.593 1.795 -8.274 1.00 0.00 C ATOM 885 O TRP A 59 -3.228 2.849 -7.763 1.00 0.00 O ATOM 886 CB TRP A 59 -1.394 0.721 -7.552 1.00 0.00 C ATOM 887 CG TRP A 59 -0.797 -0.502 -6.923 1.00 0.00 C ATOM 888 CD1 TRP A 59 0.496 -0.856 -7.064 1.00 0.00 C ATOM 889 CD2 TRP A 59 -1.379 -1.485 -5.998 1.00 0.00 C ATOM 890 NE1 TRP A 59 0.738 -2.006 -6.352 1.00 0.00 N ATOM 891 CE2 TRP A 59 -0.385 -2.464 -5.705 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.633 -1.657 -5.364 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -0.629 -3.575 -4.884 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -2.860 -2.722 -4.469 1.00 0.00 C ATOM 895 CH2 TRP A 59 -1.876 -3.700 -4.258 1.00 0.00 C ATOM 0 H TRP A 59 -2.539 -0.980 -9.666 1.00 0.00 H new ATOM 0 HA TRP A 59 -3.306 -0.196 -7.704 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -0.676 1.121 -8.268 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.524 1.475 -6.776 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.229 -0.318 -7.647 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.647 -2.467 -6.309 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.431 -0.959 -5.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.135 -4.324 -4.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -3.800 -2.786 -3.941 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.079 -4.545 -3.616 1.00 0.00 H new ATOM 906 N LYS A 60 -4.778 1.659 -8.858 1.00 0.00 N ATOM 907 CA LYS A 60 -5.740 2.740 -8.914 1.00 0.00 C ATOM 908 C LYS A 60 -6.511 2.811 -7.593 1.00 0.00 C ATOM 909 O LYS A 60 -6.435 1.898 -6.761 1.00 0.00 O ATOM 910 CB LYS A 60 -6.689 2.515 -10.096 1.00 0.00 C ATOM 911 CG LYS A 60 -7.297 1.103 -10.085 1.00 0.00 C ATOM 912 CD LYS A 60 -6.645 0.142 -11.092 1.00 0.00 C ATOM 913 CE LYS A 60 -7.240 0.295 -12.500 1.00 0.00 C ATOM 914 NZ LYS A 60 -8.638 -0.186 -12.582 1.00 0.00 N ATOM 0 H LYS A 60 -5.093 0.797 -9.303 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.226 3.690 -9.060 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.489 3.255 -10.065 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.148 2.670 -11.030 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.203 0.684 -9.083 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.363 1.174 -10.302 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.572 0.329 -11.129 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.778 -0.885 -10.752 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.203 1.344 -12.794 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.627 -0.258 -13.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.009 -0.014 -13.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.667 -1.205 -12.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.222 0.323 -11.888 1.00 0.00 H new ATOM 928 N GLU A 61 -7.338 3.849 -7.448 1.00 0.00 N ATOM 929 CA GLU A 61 -8.198 4.070 -6.285 1.00 0.00 C ATOM 930 C GLU A 61 -9.427 3.147 -6.270 1.00 0.00 C ATOM 931 O GLU A 61 -10.536 3.562 -5.946 1.00 0.00 O ATOM 932 CB GLU A 61 -8.572 5.556 -6.186 1.00 0.00 C ATOM 933 CG GLU A 61 -9.256 6.132 -7.438 1.00 0.00 C ATOM 934 CD GLU A 61 -9.726 7.547 -7.153 1.00 0.00 C ATOM 935 OE1 GLU A 61 -10.278 7.784 -6.055 1.00 0.00 O ATOM 936 OE2 GLU A 61 -9.382 8.469 -7.926 1.00 0.00 O ATOM 0 H GLU A 61 -7.430 4.578 -8.156 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.634 3.802 -5.392 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.234 5.694 -5.331 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.668 6.131 -5.985 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.561 6.131 -8.278 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.102 5.507 -7.723 1.00 0.00 H new ATOM 943 N GLU A 62 -9.201 1.872 -6.581 1.00 0.00 N ATOM 944 CA GLU A 62 -10.189 0.812 -6.600 1.00 0.00 C ATOM 945 C GLU A 62 -9.510 -0.397 -5.958 1.00 0.00 C ATOM 946 O GLU A 62 -9.896 -0.888 -4.898 1.00 0.00 O ATOM 947 CB GLU A 62 -10.611 0.504 -8.053 1.00 0.00 C ATOM 948 CG GLU A 62 -10.830 1.748 -8.932 1.00 0.00 C ATOM 949 CD GLU A 62 -11.174 1.370 -10.370 1.00 0.00 C ATOM 950 OE1 GLU A 62 -10.499 0.453 -10.896 1.00 0.00 O ATOM 951 OE2 GLU A 62 -12.056 2.027 -10.953 1.00 0.00 O ATOM 0 H GLU A 62 -8.272 1.540 -6.839 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.095 1.087 -6.060 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.847 -0.122 -8.515 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.532 -0.079 -8.035 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.634 2.353 -8.513 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.930 2.363 -8.923 1.00 0.00 H new ATOM 958 N THR A 63 -8.415 -0.823 -6.589 1.00 0.00 N ATOM 959 CA THR A 63 -7.660 -1.990 -6.205 1.00 0.00 C ATOM 960 C THR A 63 -6.977 -1.745 -4.867 1.00 0.00 C ATOM 961 O THR A 63 -6.859 -2.665 -4.065 1.00 0.00 O ATOM 962 CB THR A 63 -6.655 -2.304 -7.315 1.00 0.00 C ATOM 963 OG1 THR A 63 -6.002 -1.119 -7.748 1.00 0.00 O ATOM 964 CG2 THR A 63 -7.375 -2.910 -8.524 1.00 0.00 C ATOM 0 H THR A 63 -8.028 -0.344 -7.402 1.00 0.00 H new ATOM 0 HA THR A 63 -8.315 -2.852 -6.078 1.00 0.00 H new ATOM 0 HB THR A 63 -5.926 -3.007 -6.913 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.362 -1.339 -8.457 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.649 -3.129 -9.307 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.876 -3.831 -8.225 1.00 0.00 H new ATOM 0 HG23 THR A 63 -8.113 -2.202 -8.901 1.00 0.00 H new ATOM 972 N LEU A 64 -6.542 -0.506 -4.612 1.00 0.00 N ATOM 973 CA LEU A 64 -6.050 -0.154 -3.293 1.00 0.00 C ATOM 974 C LEU A 64 -7.125 -0.353 -2.233 1.00 0.00 C ATOM 975 O LEU A 64 -6.820 -0.877 -1.168 1.00 0.00 O ATOM 976 CB LEU A 64 -5.548 1.292 -3.260 1.00 0.00 C ATOM 977 CG LEU A 64 -4.023 1.354 -3.416 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.684 1.667 -4.863 1.00 0.00 C ATOM 979 CD2 LEU A 64 -3.387 2.397 -2.496 1.00 0.00 C ATOM 0 H LEU A 64 -6.524 0.252 -5.294 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.215 -0.819 -3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.021 1.862 -4.059 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.839 1.759 -2.319 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.617 0.384 -3.130 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.601 1.713 -4.981 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.087 0.886 -5.508 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.120 2.627 -5.139 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.307 2.402 -2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.790 3.382 -2.730 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.610 2.151 -1.458 1.00 0.00 H new ATOM 991 N MET A 65 -8.363 0.070 -2.497 1.00 0.00 N ATOM 992 CA MET A 65 -9.435 -0.094 -1.527 1.00 0.00 C ATOM 993 C MET A 65 -9.611 -1.584 -1.238 1.00 0.00 C ATOM 994 O MET A 65 -9.553 -2.004 -0.084 1.00 0.00 O ATOM 995 CB MET A 65 -10.744 0.539 -2.022 1.00 0.00 C ATOM 996 CG MET A 65 -10.565 1.962 -2.572 1.00 0.00 C ATOM 997 SD MET A 65 -11.789 3.164 -1.999 1.00 0.00 S ATOM 998 CE MET A 65 -11.147 3.432 -0.335 1.00 0.00 C ATOM 0 H MET A 65 -8.641 0.524 -3.367 1.00 0.00 H new ATOM 0 HA MET A 65 -9.169 0.425 -0.606 1.00 0.00 H new ATOM 0 HB2 MET A 65 -11.172 -0.092 -2.801 1.00 0.00 H new ATOM 0 HB3 MET A 65 -11.461 0.562 -1.201 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.572 2.319 -2.298 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.600 1.921 -3.661 1.00 0.00 H new ATOM 0 HE1 MET A 65 -11.932 3.851 0.295 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.814 2.482 0.084 1.00 0.00 H new ATOM 0 HE3 MET A 65 -10.306 4.125 -0.377 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.781 -2.369 -2.306 1.00 0.00 N ATOM 1009 CA GLU A 66 -9.960 -3.815 -2.237 1.00 0.00 C ATOM 1010 C GLU A 66 -8.867 -4.456 -1.367 1.00 0.00 C ATOM 1011 O GLU A 66 -9.142 -5.204 -0.429 1.00 0.00 O ATOM 1012 CB GLU A 66 -9.950 -4.387 -3.668 1.00 0.00 C ATOM 1013 CG GLU A 66 -10.956 -5.530 -3.843 1.00 0.00 C ATOM 1014 CD GLU A 66 -12.368 -4.995 -4.050 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -12.655 -4.620 -5.206 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -13.122 -4.973 -3.056 1.00 0.00 O ATOM 0 H GLU A 66 -9.798 -2.006 -3.259 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.917 -4.046 -1.770 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.180 -3.591 -4.377 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.949 -4.747 -3.906 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.668 -6.144 -4.697 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.934 -6.175 -2.965 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.609 -4.151 -1.693 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.433 -4.686 -1.030 1.00 0.00 C ATOM 1025 C TYR A 67 -6.407 -4.277 0.435 1.00 0.00 C ATOM 1026 O TYR A 67 -6.416 -5.132 1.304 1.00 0.00 O ATOM 1027 CB TYR A 67 -5.185 -4.188 -1.763 1.00 0.00 C ATOM 1028 CG TYR A 67 -3.867 -4.758 -1.273 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.676 -6.150 -1.191 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -2.782 -3.900 -1.030 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.419 -6.684 -0.873 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.524 -4.437 -0.722 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.340 -5.826 -0.627 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.141 -6.350 -0.255 1.00 0.00 O ATOM 0 H TYR A 67 -7.381 -3.505 -2.449 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.459 -5.775 -1.061 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.290 -4.422 -2.822 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.145 -3.102 -1.679 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.507 -6.815 -1.375 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.916 -2.830 -1.080 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.283 -7.754 -0.818 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.687 -3.775 -0.556 1.00 0.00 H new ATOM 0 HH TYR A 67 0.189 -5.880 0.539 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.351 -2.980 0.727 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.246 -2.503 2.099 1.00 0.00 C ATOM 1046 C LEU A 68 -7.383 -3.011 2.982 1.00 0.00 C ATOM 1047 O LEU A 68 -7.159 -3.280 4.161 1.00 0.00 O ATOM 1048 CB LEU A 68 -6.166 -0.969 2.148 1.00 0.00 C ATOM 1049 CG LEU A 68 -4.733 -0.419 2.153 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -3.949 -0.959 3.353 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -3.976 -0.720 0.857 1.00 0.00 C ATOM 0 H LEU A 68 -6.377 -2.239 0.026 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.319 -2.912 2.501 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.698 -0.560 1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.683 -0.617 3.041 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.820 0.665 2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.936 -0.556 3.337 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.444 -0.658 4.276 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.908 -2.047 3.301 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.969 -0.307 0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.917 -1.799 0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.502 -0.269 0.015 1.00 0.00 H new ATOM 1063 N GLU A 69 -8.594 -3.126 2.432 1.00 0.00 N ATOM 1064 CA GLU A 69 -9.719 -3.667 3.178 1.00 0.00 C ATOM 1065 C GLU A 69 -9.470 -5.156 3.455 1.00 0.00 C ATOM 1066 O GLU A 69 -9.510 -5.576 4.612 1.00 0.00 O ATOM 1067 CB GLU A 69 -11.030 -3.364 2.428 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.267 -3.252 3.338 1.00 0.00 C ATOM 1069 CD GLU A 69 -13.049 -4.550 3.501 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -12.416 -5.623 3.432 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -14.277 -4.431 3.699 1.00 0.00 O ATOM 0 H GLU A 69 -8.815 -2.851 1.475 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.820 -3.190 4.153 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.913 -2.431 1.877 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.204 -4.149 1.692 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.949 -2.908 4.322 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.933 -2.490 2.933 1.00 0.00 H new ATOM 1078 N ASN A 70 -9.157 -5.940 2.411 1.00 0.00 N ATOM 1079 CA ASN A 70 -9.108 -7.399 2.494 1.00 0.00 C ATOM 1080 C ASN A 70 -7.896 -7.987 1.752 1.00 0.00 C ATOM 1081 O ASN A 70 -8.056 -8.710 0.767 1.00 0.00 O ATOM 1082 CB ASN A 70 -10.420 -7.944 1.904 1.00 0.00 C ATOM 1083 CG ASN A 70 -10.974 -9.216 2.547 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -12.039 -9.678 2.154 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -10.308 -9.835 3.521 1.00 0.00 N ATOM 0 H ASN A 70 -8.931 -5.574 1.486 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.997 -7.694 3.537 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.178 -7.165 1.978 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.264 -8.137 0.843 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.685 -10.688 3.935 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.421 -9.456 3.853 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.662 -7.747 2.211 1.00 0.00 N ATOM 1093 CA PRO A 71 -5.482 -7.955 1.383 1.00 0.00 C ATOM 1094 C PRO A 71 -5.274 -9.431 1.070 1.00 0.00 C ATOM 1095 O PRO A 71 -4.997 -9.804 -0.068 1.00 0.00 O ATOM 1096 CB PRO A 71 -4.310 -7.332 2.142 1.00 0.00 C ATOM 1097 CG PRO A 71 -4.800 -7.245 3.588 1.00 0.00 C ATOM 1098 CD PRO A 71 -6.326 -7.154 3.489 1.00 0.00 C ATOM 0 HA PRO A 71 -5.587 -7.480 0.408 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.413 -7.946 2.062 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.059 -6.348 1.747 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.494 -8.120 4.161 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.385 -6.372 4.093 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.806 -7.688 4.309 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.663 -6.119 3.543 1.00 0.00 H new ATOM 1106 N LYS A 72 -5.466 -10.270 2.087 1.00 0.00 N ATOM 1107 CA LYS A 72 -5.394 -11.716 1.974 1.00 0.00 C ATOM 1108 C LYS A 72 -6.413 -12.262 0.964 1.00 0.00 C ATOM 1109 O LYS A 72 -6.226 -13.370 0.462 1.00 0.00 O ATOM 1110 CB LYS A 72 -5.600 -12.313 3.375 1.00 0.00 C ATOM 1111 CG LYS A 72 -5.068 -13.749 3.500 1.00 0.00 C ATOM 1112 CD LYS A 72 -5.210 -14.255 4.946 1.00 0.00 C ATOM 1113 CE LYS A 72 -6.629 -14.742 5.282 1.00 0.00 C ATOM 1114 NZ LYS A 72 -6.858 -16.139 4.856 1.00 0.00 N ATOM 0 H LYS A 72 -5.680 -9.950 3.032 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.416 -12.006 1.591 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.101 -11.681 4.110 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.663 -12.303 3.615 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.616 -14.406 2.824 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.021 -13.782 3.198 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.505 -15.070 5.109 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.936 -13.454 5.633 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.794 -14.660 6.356 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.358 -14.093 4.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.827 -16.423 5.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.727 -16.214 3.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.181 -16.764 5.338 1.00 0.00 H new ATOM 1128 N LYS A 73 -7.500 -11.526 0.687 1.00 0.00 N ATOM 1129 CA LYS A 73 -8.485 -11.926 -0.307 1.00 0.00 C ATOM 1130 C LYS A 73 -8.058 -11.408 -1.680 1.00 0.00 C ATOM 1131 O LYS A 73 -8.017 -12.184 -2.633 1.00 0.00 O ATOM 1132 CB LYS A 73 -9.887 -11.427 0.071 1.00 0.00 C ATOM 1133 CG LYS A 73 -10.960 -12.294 -0.605 1.00 0.00 C ATOM 1134 CD LYS A 73 -12.318 -11.579 -0.604 1.00 0.00 C ATOM 1135 CE LYS A 73 -13.500 -12.510 -0.904 1.00 0.00 C ATOM 1136 NZ LYS A 73 -13.346 -13.237 -2.180 1.00 0.00 N ATOM 0 H LYS A 73 -7.713 -10.642 1.148 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.535 -13.014 -0.343 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.012 -11.459 1.153 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.005 -10.387 -0.233 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.662 -12.517 -1.630 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.045 -13.247 -0.084 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.472 -11.111 0.368 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.299 -10.779 -1.344 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.605 -13.229 -0.092 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.419 -11.925 -0.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.195 -13.812 -2.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.222 -12.555 -2.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.513 -13.857 -2.128 1.00 0.00 H new ATOM 1150 N TYR A 74 -7.759 -10.106 -1.792 1.00 0.00 N ATOM 1151 CA TYR A 74 -7.322 -9.509 -3.050 1.00 0.00 C ATOM 1152 C TYR A 74 -6.166 -10.295 -3.687 1.00 0.00 C ATOM 1153 O TYR A 74 -6.160 -10.512 -4.903 1.00 0.00 O ATOM 1154 CB TYR A 74 -6.923 -8.051 -2.805 1.00 0.00 C ATOM 1155 CG TYR A 74 -6.600 -7.269 -4.067 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -7.614 -7.037 -5.013 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -5.283 -6.854 -4.347 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -7.297 -6.486 -6.265 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -4.964 -6.305 -5.601 1.00 0.00 C ATOM 1160 CZ TYR A 74 -5.969 -6.147 -6.566 1.00 0.00 C ATOM 1161 OH TYR A 74 -5.637 -5.817 -7.842 1.00 0.00 O ATOM 0 H TYR A 74 -7.814 -9.446 -1.016 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.152 -9.545 -3.756 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.734 -7.548 -2.278 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.054 -8.030 -2.147 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.639 -7.283 -4.776 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.515 -6.958 -3.595 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.075 -6.323 -6.996 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.950 -6.006 -5.820 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.452 -5.634 -8.355 1.00 0.00 H new ATOM 1171 N ILE A 75 -5.183 -10.691 -2.868 1.00 0.00 N ATOM 1172 CA ILE A 75 -4.024 -11.481 -3.279 1.00 0.00 C ATOM 1173 C ILE A 75 -3.878 -12.694 -2.345 1.00 0.00 C ATOM 1174 O ILE A 75 -3.484 -12.531 -1.187 1.00 0.00 O ATOM 1175 CB ILE A 75 -2.760 -10.598 -3.314 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -2.922 -9.577 -4.452 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -1.510 -11.451 -3.579 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -1.883 -8.456 -4.449 1.00 0.00 C ATOM 0 H ILE A 75 -5.176 -10.462 -1.874 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.166 -11.860 -4.291 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.640 -10.097 -2.353 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.868 -10.103 -5.405 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.916 -9.134 -4.388 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.629 -10.809 -3.600 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.400 -12.192 -2.787 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.612 -11.958 -4.538 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.072 -7.782 -5.285 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.949 -7.901 -3.513 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.885 -8.884 -4.547 1.00 0.00 H new ATOM 1190 N PRO A 76 -4.168 -13.918 -2.823 1.00 0.00 N ATOM 1191 CA PRO A 76 -4.164 -15.115 -1.997 1.00 0.00 C ATOM 1192 C PRO A 76 -2.733 -15.587 -1.716 1.00 0.00 C ATOM 1193 O PRO A 76 -2.284 -16.589 -2.267 1.00 0.00 O ATOM 1194 CB PRO A 76 -4.985 -16.144 -2.785 1.00 0.00 C ATOM 1195 CG PRO A 76 -4.702 -15.764 -4.237 1.00 0.00 C ATOM 1196 CD PRO A 76 -4.609 -14.240 -4.174 1.00 0.00 C ATOM 0 HA PRO A 76 -4.598 -14.944 -1.012 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.672 -17.165 -2.566 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.047 -16.079 -2.550 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.777 -16.211 -4.600 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.498 -16.094 -4.904 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.904 -13.862 -4.915 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.574 -13.781 -4.389 1.00 0.00 H new ATOM 1204 N GLY A 77 -2.031 -14.879 -0.828 1.00 0.00 N ATOM 1205 CA GLY A 77 -0.736 -15.296 -0.296 1.00 0.00 C ATOM 1206 C GLY A 77 0.323 -14.217 -0.483 1.00 0.00 C ATOM 1207 O GLY A 77 1.408 -14.475 -1.002 1.00 0.00 O ATOM 0 H GLY A 77 -2.353 -13.986 -0.454 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.836 -15.528 0.764 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.415 -16.211 -0.794 1.00 0.00 H new ATOM 1211 N THR A 78 0.019 -12.996 -0.041 1.00 0.00 N ATOM 1212 CA THR A 78 1.004 -11.935 0.013 1.00 0.00 C ATOM 1213 C THR A 78 1.844 -12.049 1.291 1.00 0.00 C ATOM 1214 O THR A 78 1.503 -12.792 2.209 1.00 0.00 O ATOM 1215 CB THR A 78 0.314 -10.574 -0.146 1.00 0.00 C ATOM 1216 OG1 THR A 78 1.305 -9.567 -0.142 1.00 0.00 O ATOM 1217 CG2 THR A 78 -0.742 -10.282 0.924 1.00 0.00 C ATOM 0 H THR A 78 -0.909 -12.725 0.285 1.00 0.00 H new ATOM 0 HA THR A 78 1.703 -12.032 -0.818 1.00 0.00 H new ATOM 0 HB THR A 78 -0.228 -10.593 -1.091 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.880 -8.690 -0.245 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.183 -9.302 0.742 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.521 -11.044 0.884 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.275 -10.292 1.909 1.00 0.00 H new ATOM 1225 N LYS A 79 2.941 -11.288 1.342 1.00 0.00 N ATOM 1226 CA LYS A 79 3.732 -11.085 2.549 1.00 0.00 C ATOM 1227 C LYS A 79 3.148 -9.950 3.398 1.00 0.00 C ATOM 1228 O LYS A 79 3.641 -9.709 4.497 1.00 0.00 O ATOM 1229 CB LYS A 79 5.196 -10.788 2.185 1.00 0.00 C ATOM 1230 CG LYS A 79 6.045 -12.058 2.085 1.00 0.00 C ATOM 1231 CD LYS A 79 7.514 -11.742 1.750 1.00 0.00 C ATOM 1232 CE LYS A 79 8.235 -11.045 2.920 1.00 0.00 C ATOM 1233 NZ LYS A 79 9.692 -10.921 2.701 1.00 0.00 N ATOM 0 H LYS A 79 3.306 -10.790 0.530 1.00 0.00 H new ATOM 0 HA LYS A 79 3.699 -12.001 3.139 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.230 -10.257 1.234 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.626 -10.125 2.936 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.997 -12.602 3.028 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.630 -12.712 1.318 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.036 -12.666 1.501 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.556 -11.104 0.867 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.808 -10.053 3.065 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.056 -11.606 3.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.127 -10.446 3.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.108 -11.868 2.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.868 -10.362 1.841 1.00 0.00 H new ATOM 1247 N MET A 80 2.136 -9.229 2.905 1.00 0.00 N ATOM 1248 CA MET A 80 1.475 -8.205 3.695 1.00 0.00 C ATOM 1249 C MET A 80 0.592 -8.844 4.766 1.00 0.00 C ATOM 1250 O MET A 80 -0.060 -9.859 4.529 1.00 0.00 O ATOM 1251 CB MET A 80 0.684 -7.306 2.755 1.00 0.00 C ATOM 1252 CG MET A 80 0.067 -6.082 3.426 1.00 0.00 C ATOM 1253 SD MET A 80 0.109 -4.621 2.364 1.00 0.00 S ATOM 1254 CE MET A 80 -1.543 -3.920 2.586 1.00 0.00 C ATOM 0 H MET A 80 1.763 -9.341 1.962 1.00 0.00 H new ATOM 0 HA MET A 80 2.210 -7.596 4.222 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.341 -6.973 1.952 1.00 0.00 H new ATOM 0 HB3 MET A 80 -0.111 -7.892 2.294 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.966 -6.301 3.697 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.602 -5.870 4.352 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.639 -3.017 1.983 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.292 -4.647 2.272 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.695 -3.673 3.637 1.00 0.00 H new ATOM 1264 N ILE A 81 0.593 -8.241 5.955 1.00 0.00 N ATOM 1265 CA ILE A 81 -0.016 -8.773 7.165 1.00 0.00 C ATOM 1266 C ILE A 81 -0.927 -7.684 7.718 1.00 0.00 C ATOM 1267 O ILE A 81 -0.480 -6.824 8.476 1.00 0.00 O ATOM 1268 CB ILE A 81 1.091 -9.150 8.167 1.00 0.00 C ATOM 1269 CG1 ILE A 81 2.156 -10.096 7.584 1.00 0.00 C ATOM 1270 CG2 ILE A 81 0.503 -9.731 9.462 1.00 0.00 C ATOM 1271 CD1 ILE A 81 1.645 -11.500 7.245 1.00 0.00 C ATOM 0 H ILE A 81 1.036 -7.334 6.103 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.598 -9.674 6.969 1.00 0.00 H new ATOM 0 HB ILE A 81 1.602 -8.216 8.400 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.568 -9.646 6.681 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.975 -10.184 8.298 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.312 -9.986 10.147 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.148 -8.992 9.929 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.072 -10.627 9.230 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.462 -12.097 6.841 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.261 -11.975 8.148 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.848 -11.428 6.505 1.00 0.00 H new ATOM 1283 N PHE A 82 -2.194 -7.671 7.295 1.00 0.00 N ATOM 1284 CA PHE A 82 -3.093 -6.581 7.635 1.00 0.00 C ATOM 1285 C PHE A 82 -4.548 -7.012 7.424 1.00 0.00 C ATOM 1286 O PHE A 82 -5.175 -6.660 6.432 1.00 0.00 O ATOM 1287 CB PHE A 82 -2.696 -5.346 6.812 1.00 0.00 C ATOM 1288 CG PHE A 82 -3.204 -4.056 7.399 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -2.587 -3.518 8.544 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -4.328 -3.428 6.842 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -3.110 -2.363 9.148 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -4.825 -2.258 7.426 1.00 0.00 C ATOM 1293 CZ PHE A 82 -4.239 -1.735 8.593 1.00 0.00 C ATOM 0 H PHE A 82 -2.613 -8.402 6.720 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.009 -6.317 8.689 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.610 -5.301 6.737 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.081 -5.453 5.798 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.711 -3.994 8.958 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.806 -3.845 5.968 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.647 -1.959 10.036 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.666 -1.752 6.977 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.655 -0.855 9.061 1.00 0.00 H new ATOM 1303 N ALA A 83 -5.070 -7.836 8.337 1.00 0.00 N ATOM 1304 CA ALA A 83 -6.346 -8.526 8.157 1.00 0.00 C ATOM 1305 C ALA A 83 -7.540 -7.580 7.980 1.00 0.00 C ATOM 1306 O ALA A 83 -8.459 -7.900 7.231 1.00 0.00 O ATOM 1307 CB ALA A 83 -6.587 -9.472 9.335 1.00 0.00 C ATOM 0 H ALA A 83 -4.615 -8.043 9.226 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.270 -9.089 7.227 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.539 -9.986 9.200 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.782 -10.205 9.383 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.612 -8.899 10.262 1.00 0.00 H new ATOM 1313 N GLY A 84 -7.546 -6.454 8.698 1.00 0.00 N ATOM 1314 CA GLY A 84 -8.593 -5.444 8.652 1.00 0.00 C ATOM 1315 C GLY A 84 -7.954 -4.096 8.972 1.00 0.00 C ATOM 1316 O GLY A 84 -6.808 -4.068 9.419 1.00 0.00 O ATOM 0 H GLY A 84 -6.795 -6.218 9.347 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.059 -5.422 7.667 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.379 -5.675 9.371 1.00 0.00 H new ATOM 1320 N ILE A 85 -8.672 -2.990 8.736 1.00 0.00 N ATOM 1321 CA ILE A 85 -8.105 -1.655 8.704 1.00 0.00 C ATOM 1322 C ILE A 85 -8.590 -0.855 9.913 1.00 0.00 C ATOM 1323 O ILE A 85 -7.779 -0.357 10.689 1.00 0.00 O ATOM 1324 CB ILE A 85 -8.372 -1.038 7.312 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -7.829 0.395 7.192 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -9.843 -1.067 6.864 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -6.877 0.603 6.012 1.00 0.00 C ATOM 0 H ILE A 85 -9.677 -3.009 8.561 1.00 0.00 H new ATOM 0 HA ILE A 85 -7.020 -1.658 8.812 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.824 -1.693 6.635 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.668 1.084 7.094 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.310 0.654 8.115 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -9.932 -0.613 5.877 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -10.190 -2.099 6.821 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -10.451 -0.509 7.576 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.538 1.639 5.996 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.017 -0.059 6.117 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -7.397 0.377 5.081 1.00 0.00 H new ATOM 1339 N LYS A 86 -9.908 -0.773 10.110 1.00 0.00 N ATOM 1340 CA LYS A 86 -10.525 -0.204 11.289 1.00 0.00 C ATOM 1341 C LYS A 86 -12.019 -0.503 11.232 1.00 0.00 C ATOM 1342 O LYS A 86 -12.566 -1.170 12.105 1.00 0.00 O ATOM 1343 CB LYS A 86 -10.276 1.310 11.344 1.00 0.00 C ATOM 1344 CG LYS A 86 -11.205 1.993 12.352 1.00 0.00 C ATOM 1345 CD LYS A 86 -10.739 3.414 12.694 1.00 0.00 C ATOM 1346 CE LYS A 86 -9.804 3.434 13.909 1.00 0.00 C ATOM 1347 NZ LYS A 86 -8.912 4.608 13.873 1.00 0.00 N ATOM 0 H LYS A 86 -10.586 -1.113 9.428 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.093 -0.642 12.189 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -9.238 1.500 11.617 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -10.430 1.742 10.355 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.216 2.031 11.945 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.251 1.397 13.264 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.226 3.844 11.834 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.607 4.042 12.894 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.394 3.449 14.825 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.208 2.521 13.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.234 4.553 14.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.395 4.624 12.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.477 5.476 13.964 1.00 0.00 H new ATOM 1361 N LYS A 87 -12.681 0.060 10.217 1.00 0.00 N ATOM 1362 CA LYS A 87 -14.131 0.052 10.104 1.00 0.00 C ATOM 1363 C LYS A 87 -14.537 0.505 8.702 1.00 0.00 C ATOM 1364 O LYS A 87 -15.247 -0.208 8.002 1.00 0.00 O ATOM 1365 CB LYS A 87 -14.745 0.970 11.183 1.00 0.00 C ATOM 1366 CG LYS A 87 -16.270 0.832 11.288 1.00 0.00 C ATOM 1367 CD LYS A 87 -16.658 -0.432 12.068 1.00 0.00 C ATOM 1368 CE LYS A 87 -18.176 -0.650 12.003 1.00 0.00 C ATOM 1369 NZ LYS A 87 -18.597 -1.844 12.765 1.00 0.00 N ATOM 0 H LYS A 87 -12.215 0.538 9.446 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.507 -0.959 10.263 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.297 0.737 12.149 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.494 2.006 10.957 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.685 1.710 11.783 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.705 0.794 10.289 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.141 -1.297 11.653 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.341 -0.339 13.107 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.686 0.229 12.396 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.483 -0.757 10.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -19.629 -1.955 12.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.131 -2.688 12.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -18.328 -1.731 13.763 1.00 0.00 H new ATOM 1383 N LYS A 88 -14.108 1.712 8.319 1.00 0.00 N ATOM 1384 CA LYS A 88 -14.440 2.337 7.042 1.00 0.00 C ATOM 1385 C LYS A 88 -13.618 3.607 6.836 1.00 0.00 C ATOM 1386 O LYS A 88 -12.980 3.759 5.801 1.00 0.00 O ATOM 1387 CB LYS A 88 -15.957 2.571 6.874 1.00 0.00 C ATOM 1388 CG LYS A 88 -16.704 3.215 8.057 1.00 0.00 C ATOM 1389 CD LYS A 88 -16.958 4.719 7.871 1.00 0.00 C ATOM 1390 CE LYS A 88 -17.800 5.256 9.038 1.00 0.00 C ATOM 1391 NZ LYS A 88 -17.913 6.729 9.014 1.00 0.00 N ATOM 0 H LYS A 88 -13.507 2.292 8.904 1.00 0.00 H new ATOM 0 HA LYS A 88 -14.168 1.640 6.250 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -16.107 3.200 5.997 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -16.426 1.610 6.661 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -17.659 2.707 8.195 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -16.127 3.061 8.969 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -16.009 5.253 7.820 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -17.474 4.895 6.927 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -18.797 4.816 8.997 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -17.352 4.943 9.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -18.489 7.046 9.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -16.965 7.151 9.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -18.365 7.028 8.126 1.00 0.00 H new ATOM 1405 N THR A 89 -13.595 4.505 7.826 1.00 0.00 N ATOM 1406 CA THR A 89 -12.860 5.760 7.728 1.00 0.00 C ATOM 1407 C THR A 89 -11.409 5.500 7.333 1.00 0.00 C ATOM 1408 O THR A 89 -10.922 6.084 6.373 1.00 0.00 O ATOM 1409 CB THR A 89 -12.986 6.528 9.051 1.00 0.00 C ATOM 1410 OG1 THR A 89 -14.358 6.811 9.264 1.00 0.00 O ATOM 1411 CG2 THR A 89 -12.195 7.841 9.038 1.00 0.00 C ATOM 0 H THR A 89 -14.084 4.379 8.712 1.00 0.00 H new ATOM 0 HA THR A 89 -13.287 6.383 6.942 1.00 0.00 H new ATOM 0 HB THR A 89 -12.575 5.911 9.850 1.00 0.00 H new ATOM 0 HG1 THR A 89 -14.464 7.301 10.106 1.00 0.00 H new ATOM 0 HG21 THR A 89 -12.315 8.348 9.995 1.00 0.00 H new ATOM 0 HG22 THR A 89 -11.139 7.628 8.870 1.00 0.00 H new ATOM 0 HG23 THR A 89 -12.567 8.482 8.239 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.736 4.590 8.041 1.00 0.00 N ATOM 1420 CA GLU A 90 -9.329 4.296 7.811 1.00 0.00 C ATOM 1421 C GLU A 90 -9.078 3.795 6.382 1.00 0.00 C ATOM 1422 O GLU A 90 -8.094 4.177 5.752 1.00 0.00 O ATOM 1423 CB GLU A 90 -8.827 3.354 8.920 1.00 0.00 C ATOM 1424 CG GLU A 90 -7.364 3.626 9.280 1.00 0.00 C ATOM 1425 CD GLU A 90 -7.046 3.382 10.756 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -7.734 3.978 11.617 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -6.063 2.668 11.041 1.00 0.00 O ATOM 0 H GLU A 90 -11.156 4.039 8.789 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.738 5.209 7.876 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -9.448 3.475 9.808 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.935 2.319 8.594 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.723 2.991 8.668 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.122 4.659 9.030 1.00 0.00 H new ATOM 1434 N ARG A 91 -10.012 3.005 5.839 1.00 0.00 N ATOM 1435 CA ARG A 91 -9.968 2.528 4.459 1.00 0.00 C ATOM 1436 C ARG A 91 -9.967 3.698 3.470 1.00 0.00 C ATOM 1437 O ARG A 91 -9.485 3.561 2.353 1.00 0.00 O ATOM 1438 CB ARG A 91 -11.185 1.626 4.192 1.00 0.00 C ATOM 1439 CG ARG A 91 -11.064 0.804 2.897 1.00 0.00 C ATOM 1440 CD ARG A 91 -12.443 0.451 2.323 1.00 0.00 C ATOM 1441 NE ARG A 91 -13.213 1.662 1.961 1.00 0.00 N ATOM 1442 CZ ARG A 91 -14.393 2.059 2.471 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -15.061 1.288 3.338 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -14.913 3.238 2.123 1.00 0.00 N ATOM 0 H ARG A 91 -10.828 2.677 6.355 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.047 1.962 4.318 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.316 0.946 5.034 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -12.081 2.244 4.139 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.495 1.369 2.158 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.507 -0.111 3.097 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.320 -0.179 1.442 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -13.003 -0.131 3.055 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.804 2.262 1.245 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -14.676 0.386 3.620 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -15.955 1.602 3.716 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -14.416 3.842 1.468 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -15.808 3.535 2.512 1.00 0.00 H new ATOM 1458 N GLU A 92 -10.540 4.837 3.856 1.00 0.00 N ATOM 1459 CA GLU A 92 -10.692 5.992 2.991 1.00 0.00 C ATOM 1460 C GLU A 92 -9.590 7.012 3.287 1.00 0.00 C ATOM 1461 O GLU A 92 -9.256 7.852 2.455 1.00 0.00 O ATOM 1462 CB GLU A 92 -12.091 6.582 3.227 1.00 0.00 C ATOM 1463 CG GLU A 92 -12.569 7.317 1.970 1.00 0.00 C ATOM 1464 CD GLU A 92 -13.039 6.362 0.879 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -13.751 5.394 1.228 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -12.656 6.605 -0.280 1.00 0.00 O ATOM 0 H GLU A 92 -10.915 4.979 4.794 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.597 5.709 1.943 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.792 5.787 3.482 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.067 7.269 4.073 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.384 7.991 2.235 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.758 7.934 1.583 1.00 0.00 H new ATOM 1473 N ASP A 93 -9.102 7.028 4.524 1.00 0.00 N ATOM 1474 CA ASP A 93 -8.080 7.940 5.010 1.00 0.00 C ATOM 1475 C ASP A 93 -6.720 7.538 4.452 1.00 0.00 C ATOM 1476 O ASP A 93 -6.036 8.329 3.812 1.00 0.00 O ATOM 1477 CB ASP A 93 -8.085 7.962 6.548 1.00 0.00 C ATOM 1478 CG ASP A 93 -8.319 9.370 7.056 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -7.335 10.129 7.097 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -9.495 9.692 7.335 1.00 0.00 O ATOM 0 H ASP A 93 -9.423 6.378 5.242 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.294 8.951 4.665 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.864 7.299 6.925 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.135 7.585 6.926 1.00 0.00 H new ATOM 1485 N LEU A 94 -6.333 6.278 4.643 1.00 0.00 N ATOM 1486 CA LEU A 94 -5.075 5.739 4.134 1.00 0.00 C ATOM 1487 C LEU A 94 -4.989 5.949 2.625 1.00 0.00 C ATOM 1488 O LEU A 94 -3.987 6.432 2.096 1.00 0.00 O ATOM 1489 CB LEU A 94 -5.000 4.248 4.491 1.00 0.00 C ATOM 1490 CG LEU A 94 -4.576 3.989 5.949 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -3.064 3.823 6.034 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -4.926 5.084 6.954 1.00 0.00 C ATOM 0 H LEU A 94 -6.889 5.597 5.160 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.231 6.257 4.589 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.974 3.791 4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.293 3.757 3.822 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.138 3.095 6.217 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.776 3.640 7.069 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.755 2.979 5.417 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.578 4.731 5.677 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.579 4.792 7.945 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.442 6.016 6.660 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.006 5.227 6.975 1.00 0.00 H new ATOM 1504 N ILE A 95 -6.078 5.629 1.930 1.00 0.00 N ATOM 1505 CA ILE A 95 -6.127 5.714 0.482 1.00 0.00 C ATOM 1506 C ILE A 95 -6.220 7.174 0.025 1.00 0.00 C ATOM 1507 O ILE A 95 -6.063 7.445 -1.163 1.00 0.00 O ATOM 1508 CB ILE A 95 -7.264 4.812 -0.035 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -7.109 3.372 0.497 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -7.346 4.790 -1.571 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -5.729 2.765 0.250 1.00 0.00 C ATOM 0 H ILE A 95 -6.946 5.305 2.358 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.202 5.341 0.042 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.193 5.240 0.341 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.310 3.367 1.568 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.863 2.739 0.028 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -8.163 4.140 -1.882 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.525 5.800 -1.940 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.408 4.415 -1.980 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.700 1.753 0.653 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.531 2.735 -0.821 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.970 3.373 0.742 1.00 0.00 H new ATOM 1523 N ALA A 96 -6.410 8.130 0.945 1.00 0.00 N ATOM 1524 CA ALA A 96 -6.407 9.539 0.605 1.00 0.00 C ATOM 1525 C ALA A 96 -4.980 10.043 0.776 1.00 0.00 C ATOM 1526 O ALA A 96 -4.442 10.679 -0.127 1.00 0.00 O ATOM 1527 CB ALA A 96 -7.419 10.274 1.478 1.00 0.00 C ATOM 0 H ALA A 96 -6.568 7.940 1.935 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.711 9.718 -0.426 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.418 11.334 1.223 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.413 9.861 1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.150 10.153 2.527 1.00 0.00 H new ATOM 1533 N TYR A 97 -4.329 9.685 1.890 1.00 0.00 N ATOM 1534 CA TYR A 97 -2.909 9.930 2.070 1.00 0.00 C ATOM 1535 C TYR A 97 -2.131 9.474 0.849 1.00 0.00 C ATOM 1536 O TYR A 97 -1.391 10.263 0.271 1.00 0.00 O ATOM 1537 CB TYR A 97 -2.342 9.238 3.313 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.816 9.216 3.362 1.00 0.00 C ATOM 1539 CD1 TYR A 97 -0.088 10.318 2.871 1.00 0.00 C ATOM 1540 CD2 TYR A 97 -0.120 8.045 3.718 1.00 0.00 C ATOM 1541 CE1 TYR A 97 1.307 10.263 2.747 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.280 8.007 3.624 1.00 0.00 C ATOM 1543 CZ TYR A 97 1.998 9.125 3.174 1.00 0.00 C ATOM 1544 OH TYR A 97 3.358 9.117 3.143 1.00 0.00 O ATOM 0 H TYR A 97 -4.776 9.221 2.681 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.798 11.006 2.206 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.718 9.744 4.202 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.712 8.213 3.348 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.613 11.218 2.586 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.663 7.177 4.063 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.846 11.097 2.323 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.810 7.108 3.901 1.00 0.00 H new ATOM 0 HH TYR A 97 3.698 8.536 3.855 1.00 0.00 H new ATOM 1554 N LEU A 98 -2.261 8.210 0.452 1.00 0.00 N ATOM 1555 CA LEU A 98 -1.441 7.724 -0.649 1.00 0.00 C ATOM 1556 C LEU A 98 -1.720 8.481 -1.952 1.00 0.00 C ATOM 1557 O LEU A 98 -0.848 8.575 -2.819 1.00 0.00 O ATOM 1558 CB LEU A 98 -1.535 6.203 -0.781 1.00 0.00 C ATOM 1559 CG LEU A 98 -1.091 5.484 0.503 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -1.243 3.975 0.293 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.350 5.819 0.914 1.00 0.00 C ATOM 0 H LEU A 98 -2.901 7.528 0.859 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.398 7.940 -0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.562 5.923 -1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.915 5.873 -1.614 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.727 5.830 1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.932 3.449 1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.286 3.741 0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.620 3.660 -0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.603 5.280 1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.033 5.524 0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.438 6.891 1.089 1.00 0.00 H new ATOM 1573 N LYS A 99 -2.901 9.099 -2.051 1.00 0.00 N ATOM 1574 CA LYS A 99 -3.298 9.899 -3.201 1.00 0.00 C ATOM 1575 C LYS A 99 -2.492 11.203 -3.290 1.00 0.00 C ATOM 1576 O LYS A 99 -2.531 11.881 -4.314 1.00 0.00 O ATOM 1577 CB LYS A 99 -4.811 10.160 -3.130 1.00 0.00 C ATOM 1578 CG LYS A 99 -5.459 9.984 -4.503 1.00 0.00 C ATOM 1579 CD LYS A 99 -6.985 10.108 -4.401 1.00 0.00 C ATOM 1580 CE LYS A 99 -7.574 9.903 -5.801 1.00 0.00 C ATOM 1581 NZ LYS A 99 -9.046 9.985 -5.843 1.00 0.00 N ATOM 0 H LYS A 99 -3.613 9.054 -1.322 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.078 9.347 -4.115 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -5.269 9.475 -2.417 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.993 11.170 -2.764 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.073 10.735 -5.192 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.195 9.009 -4.913 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.382 9.365 -3.709 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.262 11.087 -4.011 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.158 10.653 -6.474 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.262 8.929 -6.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.364 10.007 -6.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -9.454 9.155 -5.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.359 10.851 -5.359 1.00 0.00 H new ATOM 1595 N LYS A 100 -1.756 11.537 -2.226 1.00 0.00 N ATOM 1596 CA LYS A 100 -0.820 12.643 -2.116 1.00 0.00 C ATOM 1597 C LYS A 100 0.615 12.121 -1.902 1.00 0.00 C ATOM 1598 O LYS A 100 1.560 12.819 -2.254 1.00 0.00 O ATOM 1599 CB LYS A 100 -1.331 13.631 -1.046 1.00 0.00 C ATOM 1600 CG LYS A 100 -0.597 13.619 0.302 1.00 0.00 C ATOM 1601 CD LYS A 100 0.704 14.438 0.263 1.00 0.00 C ATOM 1602 CE LYS A 100 0.705 15.525 1.348 1.00 0.00 C ATOM 1603 NZ LYS A 100 1.929 16.348 1.304 1.00 0.00 N ATOM 0 H LYS A 100 -1.808 10.999 -1.361 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.765 13.208 -3.046 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -1.274 14.639 -1.457 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.385 13.421 -0.863 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.253 14.020 1.075 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.368 12.590 0.580 1.00 0.00 H new ATOM 0 HD2 LYS A 100 1.558 13.776 0.406 1.00 0.00 H new ATOM 0 HD3 LYS A 100 0.818 14.899 -0.718 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.168 16.166 1.220 1.00 0.00 H new ATOM 0 HE3 LYS A 100 0.617 15.058 2.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 1.754 17.256 1.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.702 15.847 1.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 2.195 16.522 0.314 1.00 0.00 H new ATOM 1617 N ALA A 101 0.805 10.898 -1.383 1.00 0.00 N ATOM 1618 CA ALA A 101 2.110 10.234 -1.321 1.00 0.00 C ATOM 1619 C ALA A 101 2.685 10.046 -2.721 1.00 0.00 C ATOM 1620 O ALA A 101 3.888 10.151 -2.924 1.00 0.00 O ATOM 1621 CB ALA A 101 2.028 8.886 -0.607 1.00 0.00 C ATOM 0 H ALA A 101 0.047 10.339 -0.991 1.00 0.00 H new ATOM 0 HA ALA A 101 2.773 10.880 -0.745 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.016 8.427 -0.582 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.672 9.035 0.412 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.337 8.233 -1.141 1.00 0.00 H new ATOM 1627 N THR A 102 1.812 9.802 -3.702 1.00 0.00 N ATOM 1628 CA THR A 102 2.206 9.797 -5.106 1.00 0.00 C ATOM 1629 C THR A 102 2.848 11.116 -5.557 1.00 0.00 C ATOM 1630 O THR A 102 3.444 11.138 -6.633 1.00 0.00 O ATOM 1631 CB THR A 102 0.992 9.479 -5.993 1.00 0.00 C ATOM 1632 OG1 THR A 102 1.378 9.349 -7.348 1.00 0.00 O ATOM 1633 CG2 THR A 102 -0.101 10.544 -5.902 1.00 0.00 C ATOM 0 H THR A 102 0.824 9.605 -3.544 1.00 0.00 H new ATOM 0 HA THR A 102 2.965 9.022 -5.214 1.00 0.00 H new ATOM 0 HB THR A 102 0.588 8.537 -5.621 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.110 9.971 -7.541 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.933 10.267 -6.549 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.451 10.619 -4.872 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.301 11.506 -6.220 1.00 0.00 H new ATOM 1641 N ASN A 103 2.626 12.211 -4.820 1.00 0.00 N ATOM 1642 CA ASN A 103 2.961 13.569 -5.230 1.00 0.00 C ATOM 1643 C ASN A 103 3.996 14.244 -4.319 1.00 0.00 C ATOM 1644 O ASN A 103 4.770 15.056 -4.821 1.00 0.00 O ATOM 1645 CB ASN A 103 1.672 14.394 -5.303 1.00 0.00 C ATOM 1646 CG ASN A 103 1.930 15.797 -5.842 1.00 0.00 C ATOM 1647 OD1 ASN A 103 2.172 15.977 -7.030 1.00 0.00 O ATOM 1648 ND2 ASN A 103 1.846 16.813 -4.986 1.00 0.00 N ATOM 0 H ASN A 103 2.196 12.169 -3.896 1.00 0.00 H new ATOM 0 HA ASN A 103 3.432 13.514 -6.211 1.00 0.00 H new ATOM 0 HB2 ASN A 103 0.950 13.886 -5.942 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.227 14.462 -4.310 1.00 0.00 H new ATOM 0 HD21 ASN A 103 1.984 17.769 -5.314 1.00 0.00 H new ATOM 0 HD22 ASN A 103 1.643 16.636 -4.002 1.00 0.00 H new ATOM 1655 N GLU A 104 3.979 13.980 -3.004 1.00 0.00 N ATOM 1656 CA GLU A 104 4.976 14.549 -2.097 1.00 0.00 C ATOM 1657 C GLU A 104 6.339 13.862 -2.244 1.00 0.00 C ATOM 1658 O GLU A 104 7.321 14.459 -1.750 1.00 0.00 O ATOM 1659 CB GLU A 104 4.473 14.619 -0.638 1.00 0.00 C ATOM 1660 CG GLU A 104 4.321 13.291 0.128 1.00 0.00 C ATOM 1661 CD GLU A 104 4.123 13.471 1.632 1.00 0.00 C ATOM 1662 OE1 GLU A 104 3.687 14.565 2.059 1.00 0.00 O ATOM 1663 OE2 GLU A 104 4.357 12.501 2.380 1.00 0.00 O ATOM 1664 OXT GLU A 104 6.386 12.768 -2.850 1.00 0.00 O ATOM 0 H GLU A 104 3.289 13.380 -2.551 1.00 0.00 H new ATOM 0 HA GLU A 104 5.131 15.586 -2.396 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.158 15.254 -0.077 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.504 15.119 -0.640 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.472 12.742 -0.279 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.207 12.679 -0.043 1.00 0.00 H new TER 1671 GLU A 104 HETATM 1672 FE HEC A 105 1.771 -2.989 2.702 1.00 0.00 FE HETATM 1673 CHA HEC A 105 2.582 -3.988 -0.592 1.00 0.00 C HETATM 1674 CHB HEC A 105 -0.045 -0.375 1.500 1.00 0.00 C HETATM 1675 CHC HEC A 105 0.981 -2.219 5.947 1.00 0.00 C HETATM 1676 CHD HEC A 105 3.842 -5.557 3.875 1.00 0.00 C HETATM 1677 NA HEC A 105 1.275 -2.358 0.793 1.00 0.00 N HETATM 1678 C1A HEC A 105 1.738 -2.888 -0.392 1.00 0.00 C HETATM 1679 C2A HEC A 105 1.258 -2.037 -1.457 1.00 0.00 C HETATM 1680 C3A HEC A 105 0.436 -1.089 -0.880 1.00 0.00 C HETATM 1681 C4A HEC A 105 0.533 -1.240 0.555 1.00 0.00 C HETATM 1682 CMA HEC A 105 -0.424 -0.083 -1.607 1.00 0.00 C HETATM 1683 CAA HEC A 105 1.651 -2.133 -2.923 1.00 0.00 C HETATM 1684 CBA HEC A 105 3.115 -1.783 -3.221 1.00 0.00 C HETATM 1685 CGA HEC A 105 3.398 -1.648 -4.718 1.00 0.00 C HETATM 1686 O1A HEC A 105 3.169 -2.634 -5.454 1.00 0.00 O HETATM 1687 O2A HEC A 105 3.829 -0.546 -5.116 1.00 0.00 O HETATM 1688 NB HEC A 105 0.679 -1.552 3.570 1.00 0.00 N HETATM 1689 C1B HEC A 105 0.036 -0.566 2.891 1.00 0.00 C HETATM 1690 C2B HEC A 105 -0.549 0.311 3.878 1.00 0.00 C HETATM 1691 C3B HEC A 105 -0.336 -0.257 5.123 1.00 0.00 C HETATM 1692 C4B HEC A 105 0.488 -1.418 4.916 1.00 0.00 C HETATM 1693 CMB HEC A 105 -1.200 1.637 3.570 1.00 0.00 C HETATM 1694 CAB HEC A 105 -0.915 0.159 6.465 1.00 0.00 C HETATM 1695 CBB HEC A 105 -2.442 0.077 6.484 1.00 0.00 C HETATM 1696 NC HEC A 105 2.302 -3.756 4.567 1.00 0.00 N HETATM 1697 C1C HEC A 105 1.857 -3.262 5.743 1.00 0.00 C HETATM 1698 C2C HEC A 105 2.477 -4.004 6.809 1.00 0.00 C HETATM 1699 C3C HEC A 105 3.391 -4.849 6.225 1.00 0.00 C HETATM 1700 C4C HEC A 105 3.180 -4.766 4.798 1.00 0.00 C HETATM 1701 CMC HEC A 105 2.218 -3.806 8.283 1.00 0.00 C HETATM 1702 CAC HEC A 105 4.578 -5.514 6.893 1.00 0.00 C HETATM 1703 CBC HEC A 105 4.223 -6.756 7.710 1.00 0.00 C HETATM 1704 ND HEC A 105 2.971 -4.538 1.794 1.00 0.00 N HETATM 1705 C1D HEC A 105 3.711 -5.437 2.497 1.00 0.00 C HETATM 1706 C2D HEC A 105 4.409 -6.271 1.552 1.00 0.00 C HETATM 1707 C3D HEC A 105 4.040 -5.869 0.287 1.00 0.00 C HETATM 1708 C4D HEC A 105 3.140 -4.740 0.447 1.00 0.00 C HETATM 1709 CMD HEC A 105 5.460 -7.300 1.902 1.00 0.00 C HETATM 1710 CAD HEC A 105 4.528 -6.518 -0.999 1.00 0.00 C HETATM 1711 CBD HEC A 105 3.450 -6.853 -2.042 1.00 0.00 C HETATM 1712 CGD HEC A 105 3.392 -5.914 -3.241 1.00 0.00 C HETATM 1713 O1D HEC A 105 4.337 -5.113 -3.389 1.00 0.00 O HETATM 1714 O2D HEC A 105 2.379 -5.992 -3.966 1.00 0.00 O HETATM 0 HMD3 HEC A 105 6.295 -6.811 2.405 1.00 0.00 H new HETATM 0 HMD2 HEC A 105 5.028 -8.051 2.563 1.00 0.00 H new HETATM 0 HMD1 HEC A 105 5.816 -7.781 0.991 1.00 0.00 H new HETATM 0 HMC3 HEC A 105 2.477 -2.785 8.564 1.00 0.00 H new HETATM 0 HMC2 HEC A 105 1.164 -3.984 8.494 1.00 0.00 H new HETATM 0 HMC1 HEC A 105 2.826 -4.506 8.856 1.00 0.00 H new HETATM 0 HMB3 HEC A 105 -0.473 2.298 3.098 1.00 0.00 H new HETATM 0 HMB2 HEC A 105 -2.041 1.481 2.895 1.00 0.00 H new HETATM 0 HMB1 HEC A 105 -1.556 2.091 4.495 1.00 0.00 H new HETATM 0 HMA3 HEC A 105 0.207 0.555 -2.226 1.00 0.00 H new HETATM 0 HMA2 HEC A 105 -1.142 -0.607 -2.239 1.00 0.00 H new HETATM 0 HMA1 HEC A 105 -0.959 0.530 -0.882 1.00 0.00 H new HETATM 0 HBD2 HEC A 105 3.620 -7.867 -2.403 1.00 0.00 H new HETATM 0 HBD1 HEC A 105 2.477 -6.848 -1.550 1.00 0.00 H new HETATM 0 HBC3 HEC A 105 3.523 -6.484 8.500 1.00 0.00 H new HETATM 0 HBC2 HEC A 105 3.764 -7.501 7.059 1.00 0.00 H new HETATM 0 HBC1 HEC A 105 5.128 -7.170 8.154 1.00 0.00 H new HETATM 0 HBB3 HEC A 105 -2.851 0.737 5.719 1.00 0.00 H new HETATM 0 HBB2 HEC A 105 -2.754 -0.948 6.284 1.00 0.00 H new HETATM 0 HBB1 HEC A 105 -2.811 0.384 7.463 1.00 0.00 H new HETATM 0 HBA2 HEC A 105 3.369 -0.848 -2.722 1.00 0.00 H new HETATM 0 HBA1 HEC A 105 3.761 -2.554 -2.802 1.00 0.00 H new HETATM 0 HAD2 HEC A 105 5.258 -5.854 -1.462 1.00 0.00 H new HETATM 0 HAD1 HEC A 105 5.052 -7.438 -0.741 1.00 0.00 H new HETATM 0 HAA2 HEC A 105 1.457 -3.147 -3.271 1.00 0.00 H new HETATM 0 HAA1 HEC A 105 1.008 -1.469 -3.501 1.00 0.00 H new HETATM 0 HHD HEC A 105 4.513 -6.327 4.256 1.00 0.00 H new HETATM 0 HHC HEC A 105 0.656 -2.008 6.966 1.00 0.00 H new HETATM 0 HHB HEC A 105 -0.588 0.496 1.133 1.00 0.00 H new HETATM 0 HHA HEC A 105 2.818 -4.275 -1.617 1.00 0.00 H new HETATM 0 H2D HEC A 105 2.434 -5.322 -4.679 1.00 0.00 H new HETATM 0 H2A HEC A 105 4.183 -0.642 -6.025 1.00 0.00 H new