USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 760 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 MET CE :methyl -124:sc= -0.903 (180deg=-2.42!) USER MOD Set 1.2: A 77 MET CE :methyl -151:sc= -2.8! (180deg=-3.43!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -150:sc= -0.0634 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -129:sc= 1.29 (180deg=0.61) USER MOD Single : A 14 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.0088) USER MOD Single : A 15 ASN : amide:sc= -0.0455 K(o=-0.046,f=-0.97) USER MOD Single : A 20 SER OG : rot -73:sc= 0.0492 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.265 X(o=-0.27,f=-0.082) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.274 K(o=-0.27,f=-2.7!) USER MOD Single : A 59 SER OG : rot 10:sc= 0.971 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0.09 USER MOD Single : A 70 GLN :FLIP amide:sc= -1.63 F(o=-2.9!,f=-1.6) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -93:sc= 1.23 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.581 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN :FLIP amide:sc= 0.401 F(o=-0.77,f=0.4) USER MOD Single : B 101 SER OG : rot -0:sc= 1.1 USER MOD Single : B 102 THR OG1 : rot 180:sc= 0.0714 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.655 3.814 -21.644 1.00 0.00 N ATOM 2 CA MET A 1 -6.442 4.322 -20.946 1.00 0.00 C ATOM 3 C MET A 1 -6.549 5.826 -20.681 1.00 0.00 C ATOM 4 O MET A 1 -6.113 6.640 -21.496 1.00 0.00 O ATOM 5 CB MET A 1 -5.212 4.015 -21.814 1.00 0.00 C ATOM 6 CG MET A 1 -3.888 4.131 -21.071 1.00 0.00 C ATOM 7 SD MET A 1 -2.709 2.854 -21.554 1.00 0.00 S ATOM 8 CE MET A 1 -1.975 3.599 -23.008 1.00 0.00 C ATOM 0 H1 MET A 1 -7.557 2.792 -21.812 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.494 3.989 -21.054 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.763 4.305 -22.554 1.00 0.00 H new ATOM 0 HA MET A 1 -6.348 3.826 -19.980 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.305 3.006 -22.215 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.201 4.696 -22.665 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.453 5.112 -21.261 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.070 4.065 -19.998 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.224 2.926 -23.422 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.749 3.781 -23.754 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.505 4.544 -22.735 1.00 0.00 H new ATOM 20 N LYS A 2 -7.134 6.185 -19.536 1.00 0.00 N ATOM 21 CA LYS A 2 -7.301 7.590 -19.159 1.00 0.00 C ATOM 22 C LYS A 2 -7.874 7.706 -17.745 1.00 0.00 C ATOM 23 O LYS A 2 -8.999 7.271 -17.491 1.00 0.00 O ATOM 24 CB LYS A 2 -8.221 8.313 -20.153 1.00 0.00 C ATOM 25 CG LYS A 2 -7.729 9.698 -20.551 1.00 0.00 C ATOM 26 CD LYS A 2 -6.758 9.635 -21.720 1.00 0.00 C ATOM 27 CE LYS A 2 -6.229 11.015 -22.089 1.00 0.00 C ATOM 28 NZ LYS A 2 -7.128 11.728 -23.042 1.00 0.00 N ATOM 0 H LYS A 2 -7.500 5.521 -18.853 1.00 0.00 H new ATOM 0 HA LYS A 2 -6.319 8.062 -19.181 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -8.322 7.702 -21.050 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.215 8.403 -19.714 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -8.580 10.324 -20.818 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -7.242 10.170 -19.698 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -5.924 8.982 -21.465 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -7.256 9.194 -22.583 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -6.115 11.612 -21.184 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -5.238 10.916 -22.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -6.728 12.662 -23.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -7.217 11.173 -23.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -8.067 11.847 -22.610 1.00 0.00 H new ATOM 42 N GLU A 3 -7.092 8.295 -16.835 1.00 0.00 N ATOM 43 CA GLU A 3 -7.505 8.479 -15.440 1.00 0.00 C ATOM 44 C GLU A 3 -7.641 7.136 -14.711 1.00 0.00 C ATOM 45 O GLU A 3 -8.575 6.373 -14.969 1.00 0.00 O ATOM 46 CB GLU A 3 -8.827 9.253 -15.358 1.00 0.00 C ATOM 47 CG GLU A 3 -8.909 10.187 -14.159 1.00 0.00 C ATOM 48 CD GLU A 3 -9.062 9.442 -12.845 1.00 0.00 C ATOM 49 OE1 GLU A 3 -10.193 9.015 -12.532 1.00 0.00 O ATOM 50 OE2 GLU A 3 -8.049 9.288 -12.129 1.00 0.00 O ATOM 0 H GLU A 3 -6.161 8.656 -17.042 1.00 0.00 H new ATOM 0 HA GLU A 3 -6.724 9.058 -14.947 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -8.956 9.834 -16.271 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -9.653 8.543 -15.313 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.010 10.802 -14.121 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -9.753 10.864 -14.288 1.00 0.00 H new ATOM 57 N PRO A 4 -6.708 6.830 -13.785 1.00 0.00 N ATOM 58 CA PRO A 4 -6.733 5.572 -13.019 1.00 0.00 C ATOM 59 C PRO A 4 -7.929 5.487 -12.062 1.00 0.00 C ATOM 60 O PRO A 4 -8.798 6.359 -12.062 1.00 0.00 O ATOM 61 CB PRO A 4 -5.415 5.603 -12.237 1.00 0.00 C ATOM 62 CG PRO A 4 -5.058 7.046 -12.146 1.00 0.00 C ATOM 63 CD PRO A 4 -5.557 7.677 -13.415 1.00 0.00 C ATOM 0 HA PRO A 4 -6.836 4.704 -13.670 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -5.532 5.162 -11.247 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -4.638 5.035 -12.749 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -5.519 7.508 -11.273 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.981 7.176 -12.043 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -5.854 8.714 -13.259 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -4.792 7.678 -14.192 1.00 0.00 H new ATOM 71 N GLU A 5 -7.969 4.424 -11.251 1.00 0.00 N ATOM 72 CA GLU A 5 -9.058 4.222 -10.297 1.00 0.00 C ATOM 73 C GLU A 5 -8.516 3.960 -8.895 1.00 0.00 C ATOM 74 O GLU A 5 -8.085 2.849 -8.581 1.00 0.00 O ATOM 75 CB GLU A 5 -9.941 3.057 -10.749 1.00 0.00 C ATOM 76 CG GLU A 5 -11.283 2.992 -10.037 1.00 0.00 C ATOM 77 CD GLU A 5 -11.508 1.668 -9.334 1.00 0.00 C ATOM 78 OE1 GLU A 5 -11.018 1.509 -8.195 1.00 0.00 O ATOM 79 OE2 GLU A 5 -12.172 0.788 -9.921 1.00 0.00 O ATOM 0 H GLU A 5 -7.259 3.692 -11.238 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.657 5.132 -10.264 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -10.113 3.139 -11.822 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.406 2.122 -10.582 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.343 3.800 -9.308 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.082 3.155 -10.760 1.00 0.00 H new ATOM 86 N ILE A 6 -8.541 4.995 -8.060 1.00 0.00 N ATOM 87 CA ILE A 6 -8.050 4.898 -6.687 1.00 0.00 C ATOM 88 C ILE A 6 -9.202 4.732 -5.695 1.00 0.00 C ATOM 89 O ILE A 6 -10.244 5.378 -5.826 1.00 0.00 O ATOM 90 CB ILE A 6 -7.228 6.146 -6.296 1.00 0.00 C ATOM 91 CG1 ILE A 6 -6.156 6.442 -7.350 1.00 0.00 C ATOM 92 CG2 ILE A 6 -6.594 5.963 -4.921 1.00 0.00 C ATOM 93 CD1 ILE A 6 -6.025 7.914 -7.676 1.00 0.00 C ATOM 0 H ILE A 6 -8.898 5.917 -8.312 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.409 4.017 -6.644 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.905 6.999 -6.250 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.195 6.069 -6.995 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.393 5.895 -8.262 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.019 6.853 -4.664 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.376 5.809 -4.177 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.933 5.096 -4.938 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.249 8.052 -8.429 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.974 8.287 -8.061 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.758 8.464 -6.774 1.00 0.00 H new ATOM 105 N ILE A 7 -9.002 3.864 -4.703 1.00 0.00 N ATOM 106 CA ILE A 7 -10.013 3.606 -3.677 1.00 0.00 C ATOM 107 C ILE A 7 -9.365 3.338 -2.320 1.00 0.00 C ATOM 108 O ILE A 7 -8.354 2.640 -2.233 1.00 0.00 O ATOM 109 CB ILE A 7 -10.904 2.398 -4.043 1.00 0.00 C ATOM 110 CG1 ILE A 7 -10.050 1.138 -4.225 1.00 0.00 C ATOM 111 CG2 ILE A 7 -11.713 2.687 -5.300 1.00 0.00 C ATOM 112 CD1 ILE A 7 -10.488 -0.019 -3.354 1.00 0.00 C ATOM 0 H ILE A 7 -8.144 3.325 -4.588 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.631 4.502 -3.620 1.00 0.00 H new ATOM 0 HB ILE A 7 -11.602 2.225 -3.224 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.088 0.831 -5.270 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.011 1.378 -4.001 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -12.333 1.823 -5.540 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -12.350 3.556 -5.131 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -11.036 2.889 -6.130 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -9.840 -0.876 -3.535 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -10.423 0.270 -2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.517 -0.286 -3.594 1.00 0.00 H new ATOM 124 N THR A 8 -9.957 3.885 -1.262 1.00 0.00 N ATOM 125 CA THR A 8 -9.438 3.691 0.088 1.00 0.00 C ATOM 126 C THR A 8 -10.362 2.789 0.905 1.00 0.00 C ATOM 127 O THR A 8 -11.540 2.625 0.574 1.00 0.00 O ATOM 128 CB THR A 8 -9.247 5.039 0.789 1.00 0.00 C ATOM 129 OG1 THR A 8 -8.770 4.859 2.112 1.00 0.00 O ATOM 130 CG2 THR A 8 -10.510 5.868 0.861 1.00 0.00 C ATOM 0 H THR A 8 -10.795 4.465 -1.313 1.00 0.00 H new ATOM 0 HA THR A 8 -8.468 3.200 0.010 1.00 0.00 H new ATOM 0 HB THR A 8 -8.520 5.575 0.179 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.090 5.593 2.678 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.299 6.808 1.370 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.868 6.074 -0.148 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.274 5.320 1.412 1.00 0.00 H new ATOM 138 N VAL A 9 -9.816 2.197 1.965 1.00 0.00 N ATOM 139 CA VAL A 9 -10.582 1.303 2.826 1.00 0.00 C ATOM 140 C VAL A 9 -10.224 1.507 4.298 1.00 0.00 C ATOM 141 O VAL A 9 -9.048 1.560 4.657 1.00 0.00 O ATOM 142 CB VAL A 9 -10.351 -0.171 2.431 1.00 0.00 C ATOM 143 CG1 VAL A 9 -8.895 -0.570 2.632 1.00 0.00 C ATOM 144 CG2 VAL A 9 -11.284 -1.092 3.207 1.00 0.00 C ATOM 0 H VAL A 9 -8.844 2.322 2.247 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.636 1.545 2.691 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.580 -0.276 1.371 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.761 -1.613 2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.256 0.061 2.014 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.624 -0.444 3.680 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.103 -2.126 2.912 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.098 -0.982 4.275 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -12.319 -0.829 2.990 1.00 0.00 H new ATOM 154 N THR A 10 -11.250 1.617 5.141 1.00 0.00 N ATOM 155 CA THR A 10 -11.058 1.814 6.575 1.00 0.00 C ATOM 156 C THR A 10 -11.005 0.470 7.296 1.00 0.00 C ATOM 157 O THR A 10 -12.041 -0.119 7.610 1.00 0.00 O ATOM 158 CB THR A 10 -12.185 2.679 7.149 1.00 0.00 C ATOM 159 OG1 THR A 10 -12.390 3.832 6.349 1.00 0.00 O ATOM 160 CG2 THR A 10 -11.925 3.145 8.566 1.00 0.00 C ATOM 0 H THR A 10 -12.227 1.573 4.852 1.00 0.00 H new ATOM 0 HA THR A 10 -10.109 2.328 6.729 1.00 0.00 H new ATOM 0 HB THR A 10 -13.066 2.037 7.152 1.00 0.00 H new ATOM 0 HG1 THR A 10 -13.114 4.370 6.731 1.00 0.00 H new ATOM 0 HG21 THR A 10 -12.763 3.752 8.909 1.00 0.00 H new ATOM 0 HG22 THR A 10 -11.813 2.279 9.219 1.00 0.00 H new ATOM 0 HG23 THR A 10 -11.012 3.739 8.592 1.00 0.00 H new ATOM 168 N LEU A 11 -9.790 -0.012 7.547 1.00 0.00 N ATOM 169 CA LEU A 11 -9.595 -1.293 8.220 1.00 0.00 C ATOM 170 C LEU A 11 -9.031 -1.102 9.628 1.00 0.00 C ATOM 171 O LEU A 11 -8.605 -0.004 9.996 1.00 0.00 O ATOM 172 CB LEU A 11 -8.654 -2.180 7.399 1.00 0.00 C ATOM 173 CG LEU A 11 -8.956 -2.238 5.898 1.00 0.00 C ATOM 174 CD1 LEU A 11 -7.668 -2.381 5.098 1.00 0.00 C ATOM 175 CD2 LEU A 11 -9.906 -3.387 5.591 1.00 0.00 C ATOM 0 H LEU A 11 -8.925 0.466 7.294 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.568 -1.777 8.307 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.633 -1.822 7.534 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.693 -3.193 7.801 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.438 -1.305 5.607 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.903 -2.421 4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.020 -1.527 5.295 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.158 -3.298 5.391 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.110 -3.414 4.521 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.450 -4.328 5.897 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.839 -3.243 6.135 1.00 0.00 H new ATOM 187 N LYS A 12 -9.026 -2.183 10.409 1.00 0.00 N ATOM 188 CA LYS A 12 -8.510 -2.150 11.776 1.00 0.00 C ATOM 189 C LYS A 12 -7.250 -3.006 11.900 1.00 0.00 C ATOM 190 O LYS A 12 -7.057 -3.955 11.138 1.00 0.00 O ATOM 191 CB LYS A 12 -9.576 -2.642 12.759 1.00 0.00 C ATOM 192 CG LYS A 12 -9.753 -1.739 13.972 1.00 0.00 C ATOM 193 CD LYS A 12 -10.523 -0.473 13.626 1.00 0.00 C ATOM 194 CE LYS A 12 -11.991 -0.768 13.353 1.00 0.00 C ATOM 195 NZ LYS A 12 -12.843 0.450 13.474 1.00 0.00 N ATOM 0 H LYS A 12 -9.375 -3.095 10.116 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.254 -1.119 12.018 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.529 -2.725 12.236 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.310 -3.643 13.098 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.280 -2.282 14.756 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.775 -1.472 14.372 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.441 0.239 14.447 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.077 -0.003 12.750 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.096 -1.184 12.351 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.343 -1.527 14.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.834 0.201 13.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.765 0.834 14.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.525 1.165 12.789 1.00 0.00 H new ATOM 209 N LYS A 13 -6.394 -2.667 12.866 1.00 0.00 N ATOM 210 CA LYS A 13 -5.153 -3.406 13.086 1.00 0.00 C ATOM 211 C LYS A 13 -5.397 -4.659 13.928 1.00 0.00 C ATOM 212 O LYS A 13 -5.549 -4.579 15.149 1.00 0.00 O ATOM 213 CB LYS A 13 -4.111 -2.511 13.765 1.00 0.00 C ATOM 214 CG LYS A 13 -2.708 -3.099 13.769 1.00 0.00 C ATOM 215 CD LYS A 13 -1.789 -2.348 14.721 1.00 0.00 C ATOM 216 CE LYS A 13 -1.078 -1.197 14.024 1.00 0.00 C ATOM 217 NZ LYS A 13 -0.409 -0.285 14.994 1.00 0.00 N ATOM 0 H LYS A 13 -6.539 -1.886 13.507 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.773 -3.718 12.113 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.089 -1.546 13.259 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.420 -2.325 14.794 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.754 -4.149 14.059 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.295 -3.064 12.761 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.369 -1.963 15.560 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.051 -3.036 15.133 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.337 -1.595 13.331 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.798 -0.632 13.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.689 0.697 14.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.693 -0.539 15.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.623 -0.376 14.901 1.00 0.00 H new ATOM 231 N GLN A 14 -5.427 -5.814 13.267 1.00 0.00 N ATOM 232 CA GLN A 14 -5.643 -7.088 13.950 1.00 0.00 C ATOM 233 C GLN A 14 -4.313 -7.814 14.150 1.00 0.00 C ATOM 234 O GLN A 14 -3.974 -8.735 13.401 1.00 0.00 O ATOM 235 CB GLN A 14 -6.620 -7.961 13.152 1.00 0.00 C ATOM 236 CG GLN A 14 -7.517 -8.824 14.026 1.00 0.00 C ATOM 237 CD GLN A 14 -8.909 -9.000 13.448 1.00 0.00 C ATOM 238 OE1 GLN A 14 -9.362 -10.123 13.226 1.00 0.00 O ATOM 239 NE2 GLN A 14 -9.595 -7.889 13.198 1.00 0.00 N ATOM 0 H GLN A 14 -5.304 -5.894 12.258 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.079 -6.891 14.929 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -7.243 -7.319 12.529 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -6.053 -8.605 12.480 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.056 -9.803 14.156 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -7.594 -8.374 15.016 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.181 -6.978 13.397 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -10.535 -7.947 12.807 1.00 0.00 H new ATOM 248 N ASN A 15 -3.554 -7.378 15.159 1.00 0.00 N ATOM 249 CA ASN A 15 -2.246 -7.967 15.463 1.00 0.00 C ATOM 250 C ASN A 15 -1.310 -7.879 14.249 1.00 0.00 C ATOM 251 O ASN A 15 -0.529 -8.797 13.987 1.00 0.00 O ATOM 252 CB ASN A 15 -2.393 -9.431 15.905 1.00 0.00 C ATOM 253 CG ASN A 15 -3.450 -9.635 16.978 1.00 0.00 C ATOM 254 OD1 ASN A 15 -3.864 -8.691 17.653 1.00 0.00 O ATOM 255 ND2 ASN A 15 -3.890 -10.879 17.144 1.00 0.00 N ATOM 0 H ASN A 15 -3.824 -6.616 15.782 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.809 -7.397 16.283 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.644 -10.041 15.037 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.433 -9.788 16.279 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.597 -11.080 17.852 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.521 -11.632 16.564 1.00 0.00 H new ATOM 262 N GLY A 16 -1.404 -6.771 13.507 1.00 0.00 N ATOM 263 CA GLY A 16 -0.575 -6.584 12.327 1.00 0.00 C ATOM 264 C GLY A 16 -1.364 -6.762 11.040 1.00 0.00 C ATOM 265 O GLY A 16 -2.311 -7.549 10.996 1.00 0.00 O ATOM 0 H GLY A 16 -2.042 -6.000 13.705 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.136 -5.587 12.347 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.250 -7.296 12.347 1.00 0.00 H new ATOM 269 N MET A 17 -0.979 -6.028 9.993 1.00 0.00 N ATOM 270 CA MET A 17 -1.669 -6.113 8.706 1.00 0.00 C ATOM 271 C MET A 17 -1.490 -7.494 8.079 1.00 0.00 C ATOM 272 O MET A 17 -2.444 -8.264 7.990 1.00 0.00 O ATOM 273 CB MET A 17 -1.173 -5.018 7.752 1.00 0.00 C ATOM 274 CG MET A 17 -2.104 -3.817 7.682 1.00 0.00 C ATOM 275 SD MET A 17 -1.921 -2.882 6.150 1.00 0.00 S ATOM 276 CE MET A 17 -0.327 -2.110 6.405 1.00 0.00 C ATOM 0 H MET A 17 -0.198 -5.372 10.012 1.00 0.00 H new ATOM 0 HA MET A 17 -2.733 -5.958 8.884 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.186 -4.686 8.073 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.059 -5.440 6.753 1.00 0.00 H new ATOM 0 HG2 MET A 17 -3.136 -4.156 7.775 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.907 -3.160 8.529 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.426 -1.029 6.306 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.039 -2.351 7.403 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.379 -2.479 5.661 1.00 0.00 H new ATOM 286 N GLY A 18 -0.267 -7.808 7.655 1.00 0.00 N ATOM 287 CA GLY A 18 -0.001 -9.105 7.056 1.00 0.00 C ATOM 288 C GLY A 18 -0.089 -9.089 5.541 1.00 0.00 C ATOM 289 O GLY A 18 -1.010 -9.666 4.964 1.00 0.00 O ATOM 0 H GLY A 18 0.542 -7.189 7.716 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.993 -9.439 7.353 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.712 -9.832 7.448 1.00 0.00 H new ATOM 293 N LEU A 19 0.877 -8.435 4.898 1.00 0.00 N ATOM 294 CA LEU A 19 0.922 -8.356 3.435 1.00 0.00 C ATOM 295 C LEU A 19 2.331 -7.986 2.957 1.00 0.00 C ATOM 296 O LEU A 19 3.225 -7.755 3.772 1.00 0.00 O ATOM 297 CB LEU A 19 -0.116 -7.356 2.909 1.00 0.00 C ATOM 298 CG LEU A 19 0.166 -5.891 3.234 1.00 0.00 C ATOM 299 CD1 LEU A 19 1.047 -5.270 2.159 1.00 0.00 C ATOM 300 CD2 LEU A 19 -1.133 -5.111 3.377 1.00 0.00 C ATOM 0 H LEU A 19 1.642 -7.950 5.367 1.00 0.00 H new ATOM 0 HA LEU A 19 0.674 -9.338 3.033 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.184 -7.464 1.827 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.091 -7.621 3.318 1.00 0.00 H new ATOM 0 HG LEU A 19 0.696 -5.846 4.185 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.239 -4.226 2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.992 -5.810 2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.541 -5.329 1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.909 -4.070 3.609 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.693 -5.163 2.443 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.729 -5.541 4.182 1.00 0.00 H new ATOM 312 N SER A 20 2.529 -7.944 1.638 1.00 0.00 N ATOM 313 CA SER A 20 3.841 -7.617 1.069 1.00 0.00 C ATOM 314 C SER A 20 3.730 -6.603 -0.069 1.00 0.00 C ATOM 315 O SER A 20 2.792 -6.656 -0.867 1.00 0.00 O ATOM 316 CB SER A 20 4.519 -8.893 0.561 1.00 0.00 C ATOM 317 OG SER A 20 4.693 -9.833 1.609 1.00 0.00 O ATOM 0 H SER A 20 1.803 -8.131 0.946 1.00 0.00 H new ATOM 0 HA SER A 20 4.442 -7.167 1.859 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.918 -9.336 -0.233 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.487 -8.645 0.127 1.00 0.00 H new ATOM 0 HG SER A 20 5.412 -9.531 2.203 1.00 0.00 H new ATOM 323 N ILE A 21 4.699 -5.680 -0.144 1.00 0.00 N ATOM 324 CA ILE A 21 4.707 -4.656 -1.191 1.00 0.00 C ATOM 325 C ILE A 21 6.077 -4.536 -1.869 1.00 0.00 C ATOM 326 O ILE A 21 7.089 -5.009 -1.346 1.00 0.00 O ATOM 327 CB ILE A 21 4.281 -3.270 -0.642 1.00 0.00 C ATOM 328 CG1 ILE A 21 5.444 -2.558 0.067 1.00 0.00 C ATOM 329 CG2 ILE A 21 3.089 -3.408 0.292 1.00 0.00 C ATOM 330 CD1 ILE A 21 6.109 -3.372 1.155 1.00 0.00 C ATOM 0 H ILE A 21 5.483 -5.624 0.506 1.00 0.00 H new ATOM 0 HA ILE A 21 3.979 -4.980 -1.935 1.00 0.00 H new ATOM 0 HB ILE A 21 3.989 -2.655 -1.493 1.00 0.00 H new ATOM 0 HG12 ILE A 21 6.194 -2.287 -0.676 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.074 -1.629 0.501 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.805 -2.425 0.667 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.251 -3.846 -0.250 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.356 -4.053 1.130 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.917 -2.792 1.600 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.376 -3.622 1.922 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.513 -4.289 0.727 1.00 0.00 H new ATOM 342 N VAL A 22 6.090 -3.897 -3.042 1.00 0.00 N ATOM 343 CA VAL A 22 7.316 -3.700 -3.813 1.00 0.00 C ATOM 344 C VAL A 22 7.328 -2.324 -4.480 1.00 0.00 C ATOM 345 O VAL A 22 6.355 -1.927 -5.123 1.00 0.00 O ATOM 346 CB VAL A 22 7.477 -4.777 -4.910 1.00 0.00 C ATOM 347 CG1 VAL A 22 8.848 -4.686 -5.566 1.00 0.00 C ATOM 348 CG2 VAL A 22 7.243 -6.173 -4.348 1.00 0.00 C ATOM 0 H VAL A 22 5.256 -3.505 -3.480 1.00 0.00 H new ATOM 0 HA VAL A 22 8.144 -3.778 -3.108 1.00 0.00 H new ATOM 0 HB VAL A 22 6.721 -4.589 -5.672 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.936 -5.455 -6.334 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.969 -3.703 -6.021 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.622 -4.835 -4.813 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.363 -6.910 -5.142 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.965 -6.372 -3.556 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.233 -6.238 -3.943 1.00 0.00 H new ATOM 358 N ALA A 23 8.443 -1.609 -4.335 1.00 0.00 N ATOM 359 CA ALA A 23 8.593 -0.284 -4.934 1.00 0.00 C ATOM 360 C ALA A 23 9.390 -0.368 -6.234 1.00 0.00 C ATOM 361 O ALA A 23 10.550 -0.784 -6.232 1.00 0.00 O ATOM 362 CB ALA A 23 9.269 0.672 -3.959 1.00 0.00 C ATOM 0 H ALA A 23 9.256 -1.926 -3.807 1.00 0.00 H new ATOM 0 HA ALA A 23 7.599 0.101 -5.163 1.00 0.00 H new ATOM 0 HB1 ALA A 23 9.372 1.653 -4.423 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.664 0.759 -3.057 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.256 0.289 -3.699 1.00 0.00 H new ATOM 368 N ALA A 24 8.759 0.023 -7.342 1.00 0.00 N ATOM 369 CA ALA A 24 9.410 -0.014 -8.649 1.00 0.00 C ATOM 370 C ALA A 24 9.469 1.372 -9.286 1.00 0.00 C ATOM 371 O ALA A 24 8.470 2.094 -9.321 1.00 0.00 O ATOM 372 CB ALA A 24 8.687 -0.988 -9.568 1.00 0.00 C ATOM 0 H ALA A 24 7.799 0.368 -7.359 1.00 0.00 H new ATOM 0 HA ALA A 24 10.435 -0.355 -8.502 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.181 -1.007 -10.539 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.709 -1.986 -9.130 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.652 -0.670 -9.694 1.00 0.00 H new ATOM 378 N LYS A 25 10.649 1.732 -9.792 1.00 0.00 N ATOM 379 CA LYS A 25 10.858 3.026 -10.436 1.00 0.00 C ATOM 380 C LYS A 25 11.169 2.851 -11.924 1.00 0.00 C ATOM 381 O LYS A 25 11.215 1.728 -12.431 1.00 0.00 O ATOM 382 CB LYS A 25 12.000 3.780 -9.747 1.00 0.00 C ATOM 383 CG LYS A 25 11.745 5.270 -9.603 1.00 0.00 C ATOM 384 CD LYS A 25 12.986 6.085 -9.932 1.00 0.00 C ATOM 385 CE LYS A 25 12.931 7.465 -9.296 1.00 0.00 C ATOM 386 NZ LYS A 25 13.904 8.404 -9.920 1.00 0.00 N ATOM 0 H LYS A 25 11.479 1.140 -9.767 1.00 0.00 H new ATOM 0 HA LYS A 25 9.940 3.606 -10.343 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.163 3.351 -8.759 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.918 3.630 -10.315 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.929 5.566 -10.263 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.425 5.488 -8.584 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.873 5.557 -9.582 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.081 6.185 -11.013 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.923 7.869 -9.393 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.140 7.382 -8.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.835 9.333 -9.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.868 8.031 -9.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.689 8.504 -10.933 1.00 0.00 H new ATOM 400 N GLY A 26 11.386 3.969 -12.619 1.00 0.00 N ATOM 401 CA GLY A 26 11.691 3.922 -14.035 1.00 0.00 C ATOM 402 C GLY A 26 12.130 5.271 -14.557 1.00 0.00 C ATOM 403 O GLY A 26 12.852 6.002 -13.874 1.00 0.00 O ATOM 0 H GLY A 26 11.355 4.908 -12.221 1.00 0.00 H new ATOM 0 HA2 GLY A 26 12.478 3.189 -14.214 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.812 3.587 -14.586 1.00 0.00 H new ATOM 407 N ALA A 27 11.684 5.610 -15.760 1.00 0.00 N ATOM 408 CA ALA A 27 12.025 6.890 -16.361 1.00 0.00 C ATOM 409 C ALA A 27 10.826 7.833 -16.342 1.00 0.00 C ATOM 410 O ALA A 27 9.677 7.386 -16.334 1.00 0.00 O ATOM 411 CB ALA A 27 12.536 6.703 -17.782 1.00 0.00 C ATOM 0 H ALA A 27 11.087 5.017 -16.336 1.00 0.00 H new ATOM 0 HA ALA A 27 12.823 7.338 -15.769 1.00 0.00 H new ATOM 0 HB1 ALA A 27 12.784 7.674 -18.210 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.426 6.074 -17.769 1.00 0.00 H new ATOM 0 HB3 ALA A 27 11.764 6.227 -18.387 1.00 0.00 H new ATOM 417 N GLY A 28 11.100 9.140 -16.317 1.00 0.00 N ATOM 418 CA GLY A 28 10.030 10.124 -16.276 1.00 0.00 C ATOM 419 C GLY A 28 9.137 9.925 -15.064 1.00 0.00 C ATOM 420 O GLY A 28 7.917 10.085 -15.145 1.00 0.00 O ATOM 0 H GLY A 28 12.042 9.532 -16.324 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.457 11.127 -16.254 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.433 10.052 -17.185 1.00 0.00 H new ATOM 424 N GLN A 29 9.757 9.554 -13.941 1.00 0.00 N ATOM 425 CA GLN A 29 9.036 9.308 -12.701 1.00 0.00 C ATOM 426 C GLN A 29 9.752 9.955 -11.521 1.00 0.00 C ATOM 427 O GLN A 29 10.805 9.479 -11.087 1.00 0.00 O ATOM 428 CB GLN A 29 8.909 7.803 -12.460 1.00 0.00 C ATOM 429 CG GLN A 29 7.602 7.400 -11.798 1.00 0.00 C ATOM 430 CD GLN A 29 6.719 6.573 -12.712 1.00 0.00 C ATOM 431 OE1 GLN A 29 5.530 6.853 -12.864 1.00 0.00 O ATOM 432 NE2 GLN A 29 7.298 5.547 -13.326 1.00 0.00 N ATOM 0 H GLN A 29 10.765 9.418 -13.871 1.00 0.00 H new ATOM 0 HA GLN A 29 8.043 9.748 -12.791 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.999 7.282 -13.413 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.739 7.472 -11.836 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.817 6.831 -10.893 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.063 8.296 -11.490 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.287 5.352 -13.171 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.754 4.955 -13.953 1.00 0.00 H new ATOM 441 N ASP A 30 9.175 11.034 -10.997 1.00 0.00 N ATOM 442 CA ASP A 30 9.761 11.736 -9.857 1.00 0.00 C ATOM 443 C ASP A 30 9.231 11.187 -8.527 1.00 0.00 C ATOM 444 O ASP A 30 9.398 11.808 -7.476 1.00 0.00 O ATOM 445 CB ASP A 30 9.488 13.242 -9.965 1.00 0.00 C ATOM 446 CG ASP A 30 8.012 13.579 -9.838 1.00 0.00 C ATOM 447 OD1 ASP A 30 7.260 13.327 -10.802 1.00 0.00 O ATOM 448 OD2 ASP A 30 7.609 14.094 -8.774 1.00 0.00 O ATOM 0 H ASP A 30 8.305 11.440 -11.342 1.00 0.00 H new ATOM 0 HA ASP A 30 10.838 11.569 -9.877 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.044 13.765 -9.187 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.859 13.607 -10.923 1.00 0.00 H new ATOM 453 N LYS A 31 8.606 10.010 -8.584 1.00 0.00 N ATOM 454 CA LYS A 31 8.056 9.358 -7.399 1.00 0.00 C ATOM 455 C LYS A 31 8.215 7.839 -7.504 1.00 0.00 C ATOM 456 O LYS A 31 8.881 7.341 -8.416 1.00 0.00 O ATOM 457 CB LYS A 31 6.572 9.716 -7.227 1.00 0.00 C ATOM 458 CG LYS A 31 6.246 11.177 -7.509 1.00 0.00 C ATOM 459 CD LYS A 31 5.329 11.327 -8.714 1.00 0.00 C ATOM 460 CE LYS A 31 4.155 12.251 -8.420 1.00 0.00 C ATOM 461 NZ LYS A 31 3.954 13.265 -9.496 1.00 0.00 N ATOM 0 H LYS A 31 8.468 9.486 -9.448 1.00 0.00 H new ATOM 0 HA LYS A 31 8.607 9.713 -6.528 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.979 9.088 -7.892 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.268 9.478 -6.208 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.771 11.619 -6.633 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.170 11.729 -7.684 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.898 11.719 -9.557 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.955 10.347 -9.010 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.247 11.658 -8.307 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.324 12.759 -7.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.145 13.872 -9.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.810 13.849 -9.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.767 12.782 -10.398 1.00 0.00 H new ATOM 475 N LEU A 32 7.599 7.105 -6.575 1.00 0.00 N ATOM 476 CA LEU A 32 7.673 5.646 -6.580 1.00 0.00 C ATOM 477 C LEU A 32 6.366 5.031 -6.093 1.00 0.00 C ATOM 478 O LEU A 32 5.790 5.479 -5.098 1.00 0.00 O ATOM 479 CB LEU A 32 8.840 5.162 -5.714 1.00 0.00 C ATOM 480 CG LEU A 32 10.154 4.946 -6.469 1.00 0.00 C ATOM 481 CD1 LEU A 32 11.084 6.134 -6.278 1.00 0.00 C ATOM 482 CD2 LEU A 32 10.829 3.658 -6.018 1.00 0.00 C ATOM 0 H LEU A 32 7.046 7.497 -5.813 1.00 0.00 H new ATOM 0 HA LEU A 32 7.842 5.323 -7.607 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.009 5.888 -4.919 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.554 4.225 -5.235 1.00 0.00 H new ATOM 0 HG LEU A 32 9.926 4.857 -7.531 1.00 0.00 H new ATOM 0 HD11 LEU A 32 12.012 5.961 -6.823 1.00 0.00 H new ATOM 0 HD12 LEU A 32 10.604 7.036 -6.657 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.303 6.258 -5.217 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.761 3.524 -6.567 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.042 3.713 -4.950 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.168 2.813 -6.213 1.00 0.00 H new ATOM 494 N GLY A 33 5.901 4.003 -6.804 1.00 0.00 N ATOM 495 CA GLY A 33 4.662 3.342 -6.438 1.00 0.00 C ATOM 496 C GLY A 33 4.884 2.102 -5.594 1.00 0.00 C ATOM 497 O GLY A 33 5.657 1.219 -5.969 1.00 0.00 O ATOM 0 H GLY A 33 6.363 3.618 -7.628 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.031 4.041 -5.889 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.121 3.067 -7.343 1.00 0.00 H new ATOM 501 N ILE A 34 4.197 2.035 -4.454 1.00 0.00 N ATOM 502 CA ILE A 34 4.312 0.892 -3.551 1.00 0.00 C ATOM 503 C ILE A 34 3.317 -0.201 -3.941 1.00 0.00 C ATOM 504 O ILE A 34 2.257 -0.342 -3.330 1.00 0.00 O ATOM 505 CB ILE A 34 4.075 1.308 -2.080 1.00 0.00 C ATOM 506 CG1 ILE A 34 4.898 2.553 -1.733 1.00 0.00 C ATOM 507 CG2 ILE A 34 4.418 0.163 -1.137 1.00 0.00 C ATOM 508 CD1 ILE A 34 6.395 2.343 -1.830 1.00 0.00 C ATOM 0 H ILE A 34 3.555 2.760 -4.134 1.00 0.00 H new ATOM 0 HA ILE A 34 5.327 0.505 -3.640 1.00 0.00 H new ATOM 0 HB ILE A 34 3.019 1.548 -1.959 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.610 3.365 -2.401 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.650 2.870 -0.720 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.245 0.475 -0.107 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.789 -0.698 -1.366 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.466 -0.110 -1.262 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.910 3.268 -1.570 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.697 1.554 -1.142 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.657 2.056 -2.848 1.00 0.00 H new ATOM 520 N TYR A 35 3.667 -0.963 -4.974 1.00 0.00 N ATOM 521 CA TYR A 35 2.810 -2.041 -5.468 1.00 0.00 C ATOM 522 C TYR A 35 2.724 -3.195 -4.469 1.00 0.00 C ATOM 523 O TYR A 35 3.600 -3.359 -3.623 1.00 0.00 O ATOM 524 CB TYR A 35 3.331 -2.550 -6.814 1.00 0.00 C ATOM 525 CG TYR A 35 3.463 -1.461 -7.856 1.00 0.00 C ATOM 526 CD1 TYR A 35 2.342 -0.945 -8.491 1.00 0.00 C ATOM 527 CD2 TYR A 35 4.707 -0.949 -8.202 1.00 0.00 C ATOM 528 CE1 TYR A 35 2.455 0.052 -9.439 1.00 0.00 C ATOM 529 CE2 TYR A 35 4.830 0.049 -9.149 1.00 0.00 C ATOM 530 CZ TYR A 35 3.701 0.544 -9.767 1.00 0.00 C ATOM 531 OH TYR A 35 3.819 1.537 -10.713 1.00 0.00 O ATOM 0 H TYR A 35 4.541 -0.854 -5.488 1.00 0.00 H new ATOM 0 HA TYR A 35 1.806 -1.636 -5.597 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.303 -3.020 -6.665 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.658 -3.321 -7.188 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.365 -1.330 -8.239 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.593 -1.338 -7.722 1.00 0.00 H new ATOM 0 HE1 TYR A 35 1.572 0.445 -9.921 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.804 0.439 -9.404 1.00 0.00 H new ATOM 0 HH TYR A 35 4.764 1.771 -10.826 1.00 0.00 H new ATOM 541 N VAL A 36 1.660 -3.991 -4.578 1.00 0.00 N ATOM 542 CA VAL A 36 1.455 -5.132 -3.686 1.00 0.00 C ATOM 543 C VAL A 36 1.983 -6.424 -4.307 1.00 0.00 C ATOM 544 O VAL A 36 1.737 -6.706 -5.480 1.00 0.00 O ATOM 545 CB VAL A 36 -0.037 -5.327 -3.333 1.00 0.00 C ATOM 546 CG1 VAL A 36 -0.212 -6.450 -2.318 1.00 0.00 C ATOM 547 CG2 VAL A 36 -0.641 -4.033 -2.807 1.00 0.00 C ATOM 0 H VAL A 36 0.926 -3.866 -5.276 1.00 0.00 H new ATOM 0 HA VAL A 36 2.010 -4.910 -2.774 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.565 -5.606 -4.245 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.270 -6.568 -2.085 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.174 -7.380 -2.734 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.335 -6.206 -1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.692 -4.194 -2.565 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.106 -3.720 -1.910 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.559 -3.257 -3.568 1.00 0.00 H new ATOM 557 N LYS A 37 2.696 -7.208 -3.502 1.00 0.00 N ATOM 558 CA LYS A 37 3.251 -8.480 -3.953 1.00 0.00 C ATOM 559 C LYS A 37 2.287 -9.627 -3.647 1.00 0.00 C ATOM 560 O LYS A 37 2.009 -10.459 -4.512 1.00 0.00 O ATOM 561 CB LYS A 37 4.602 -8.742 -3.282 1.00 0.00 C ATOM 562 CG LYS A 37 5.374 -9.900 -3.899 1.00 0.00 C ATOM 563 CD LYS A 37 6.858 -9.585 -4.017 1.00 0.00 C ATOM 564 CE LYS A 37 7.707 -10.848 -3.952 1.00 0.00 C ATOM 565 NZ LYS A 37 7.610 -11.658 -5.200 1.00 0.00 N ATOM 0 H LYS A 37 2.903 -6.982 -2.529 1.00 0.00 H new ATOM 0 HA LYS A 37 3.397 -8.424 -5.032 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.209 -7.839 -3.342 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.439 -8.947 -2.224 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.239 -10.794 -3.290 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.969 -10.123 -4.886 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.047 -9.067 -4.957 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.151 -8.907 -3.215 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.748 -10.575 -3.778 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.390 -11.453 -3.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.204 -12.507 -5.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.621 -11.942 -5.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.937 -11.091 -6.008 1.00 0.00 H new ATOM 579 N SER A 38 1.780 -9.662 -2.411 1.00 0.00 N ATOM 580 CA SER A 38 0.844 -10.703 -1.989 1.00 0.00 C ATOM 581 C SER A 38 0.370 -10.466 -0.556 1.00 0.00 C ATOM 582 O SER A 38 1.182 -10.249 0.347 1.00 0.00 O ATOM 583 CB SER A 38 1.490 -12.089 -2.100 1.00 0.00 C ATOM 584 OG SER A 38 0.554 -13.052 -2.555 1.00 0.00 O ATOM 0 H SER A 38 2.004 -8.980 -1.686 1.00 0.00 H new ATOM 0 HA SER A 38 -0.020 -10.661 -2.652 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.335 -12.046 -2.787 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.883 -12.390 -1.129 1.00 0.00 H new ATOM 0 HG SER A 38 0.990 -13.927 -2.619 1.00 0.00 H new ATOM 590 N VAL A 39 -0.947 -10.517 -0.355 1.00 0.00 N ATOM 591 CA VAL A 39 -1.530 -10.316 0.969 1.00 0.00 C ATOM 592 C VAL A 39 -1.474 -11.606 1.784 1.00 0.00 C ATOM 593 O VAL A 39 -1.841 -12.675 1.293 1.00 0.00 O ATOM 594 CB VAL A 39 -2.995 -9.833 0.881 1.00 0.00 C ATOM 595 CG1 VAL A 39 -3.517 -9.440 2.256 1.00 0.00 C ATOM 596 CG2 VAL A 39 -3.122 -8.670 -0.095 1.00 0.00 C ATOM 0 H VAL A 39 -1.629 -10.696 -1.092 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.940 -9.545 1.464 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.602 -10.658 0.509 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.550 -9.103 2.170 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.470 -10.301 2.923 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.905 -8.634 2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.162 -8.346 -0.141 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.498 -7.842 0.242 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.797 -8.989 -1.085 1.00 0.00 H new ATOM 606 N VAL A 40 -1.013 -11.499 3.028 1.00 0.00 N ATOM 607 CA VAL A 40 -0.909 -12.660 3.909 1.00 0.00 C ATOM 608 C VAL A 40 -2.255 -12.983 4.559 1.00 0.00 C ATOM 609 O VAL A 40 -2.991 -12.081 4.963 1.00 0.00 O ATOM 610 CB VAL A 40 0.153 -12.445 5.014 1.00 0.00 C ATOM 611 CG1 VAL A 40 0.395 -13.733 5.786 1.00 0.00 C ATOM 612 CG2 VAL A 40 1.456 -11.922 4.420 1.00 0.00 C ATOM 0 H VAL A 40 -0.706 -10.622 3.448 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.601 -13.500 3.286 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.229 -11.696 5.708 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.145 -13.559 6.558 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.535 -14.059 6.251 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.749 -14.505 5.103 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.187 -11.779 5.216 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.842 -12.642 3.698 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.272 -10.971 3.921 1.00 0.00 H new ATOM 622 N LYS A 41 -2.568 -14.275 4.650 1.00 0.00 N ATOM 623 CA LYS A 41 -3.826 -14.729 5.245 1.00 0.00 C ATOM 624 C LYS A 41 -3.914 -14.336 6.716 1.00 0.00 C ATOM 625 O LYS A 41 -2.907 -14.317 7.427 1.00 0.00 O ATOM 626 CB LYS A 41 -3.966 -16.247 5.105 1.00 0.00 C ATOM 627 CG LYS A 41 -4.891 -16.676 3.976 1.00 0.00 C ATOM 628 CD LYS A 41 -6.294 -16.977 4.483 1.00 0.00 C ATOM 629 CE LYS A 41 -6.813 -18.305 3.950 1.00 0.00 C ATOM 630 NZ LYS A 41 -7.424 -18.166 2.598 1.00 0.00 N ATOM 0 H LYS A 41 -1.966 -15.029 4.318 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.641 -14.243 4.709 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.980 -16.680 4.938 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.339 -16.656 6.044 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.937 -15.889 3.224 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.483 -17.561 3.487 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.290 -16.999 5.573 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.969 -16.176 4.183 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.993 -19.022 3.905 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.552 -18.709 4.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.764 -19.094 2.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.223 -17.502 2.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.712 -17.805 1.931 1.00 0.00 H new ATOM 644 N GLY A 42 -5.128 -14.020 7.164 1.00 0.00 N ATOM 645 CA GLY A 42 -5.336 -13.626 8.547 1.00 0.00 C ATOM 646 C GLY A 42 -5.383 -12.117 8.731 1.00 0.00 C ATOM 647 O GLY A 42 -6.002 -11.624 9.675 1.00 0.00 O ATOM 0 H GLY A 42 -5.972 -14.030 6.592 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.269 -14.060 8.907 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.535 -14.037 9.161 1.00 0.00 H new ATOM 651 N GLY A 43 -4.727 -11.384 7.829 1.00 0.00 N ATOM 652 CA GLY A 43 -4.707 -9.936 7.914 1.00 0.00 C ATOM 653 C GLY A 43 -6.068 -9.304 7.669 1.00 0.00 C ATOM 654 O GLY A 43 -6.889 -9.845 6.925 1.00 0.00 O ATOM 0 H GLY A 43 -4.209 -11.772 7.041 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.349 -9.641 8.900 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.996 -9.545 7.186 1.00 0.00 H new ATOM 658 N ALA A 44 -6.300 -8.148 8.297 1.00 0.00 N ATOM 659 CA ALA A 44 -7.562 -7.418 8.155 1.00 0.00 C ATOM 660 C ALA A 44 -7.884 -7.118 6.689 1.00 0.00 C ATOM 661 O ALA A 44 -9.047 -7.157 6.284 1.00 0.00 O ATOM 662 CB ALA A 44 -7.512 -6.125 8.954 1.00 0.00 C ATOM 0 H ALA A 44 -5.625 -7.695 8.913 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.357 -8.054 8.545 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.455 -5.591 8.841 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.349 -6.354 10.007 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.696 -5.502 8.587 1.00 0.00 H new ATOM 668 N ALA A 45 -6.849 -6.821 5.898 1.00 0.00 N ATOM 669 CA ALA A 45 -7.031 -6.523 4.477 1.00 0.00 C ATOM 670 C ALA A 45 -7.636 -7.718 3.744 1.00 0.00 C ATOM 671 O ALA A 45 -8.514 -7.556 2.894 1.00 0.00 O ATOM 672 CB ALA A 45 -5.706 -6.126 3.838 1.00 0.00 C ATOM 0 H ALA A 45 -5.881 -6.781 6.217 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.722 -5.684 4.394 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.862 -5.908 2.781 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.313 -5.240 4.337 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.994 -6.945 3.938 1.00 0.00 H new ATOM 678 N ASP A 46 -7.166 -8.917 4.086 1.00 0.00 N ATOM 679 CA ASP A 46 -7.662 -10.143 3.469 1.00 0.00 C ATOM 680 C ASP A 46 -9.059 -10.489 3.980 1.00 0.00 C ATOM 681 O ASP A 46 -9.919 -10.920 3.211 1.00 0.00 O ATOM 682 CB ASP A 46 -6.707 -11.306 3.745 1.00 0.00 C ATOM 683 CG ASP A 46 -6.576 -12.236 2.556 1.00 0.00 C ATOM 684 OD1 ASP A 46 -5.835 -11.890 1.612 1.00 0.00 O ATOM 685 OD2 ASP A 46 -7.216 -13.309 2.567 1.00 0.00 O ATOM 0 H ASP A 46 -6.441 -9.064 4.788 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.719 -9.975 2.394 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.725 -10.913 4.006 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.064 -11.870 4.607 1.00 0.00 H new ATOM 690 N VAL A 47 -9.277 -10.304 5.282 1.00 0.00 N ATOM 691 CA VAL A 47 -10.571 -10.602 5.897 1.00 0.00 C ATOM 692 C VAL A 47 -11.676 -9.701 5.338 1.00 0.00 C ATOM 693 O VAL A 47 -12.814 -10.141 5.165 1.00 0.00 O ATOM 694 CB VAL A 47 -10.519 -10.452 7.433 1.00 0.00 C ATOM 695 CG1 VAL A 47 -11.839 -10.879 8.062 1.00 0.00 C ATOM 696 CG2 VAL A 47 -9.361 -11.255 8.014 1.00 0.00 C ATOM 0 H VAL A 47 -8.575 -9.949 5.931 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.800 -11.639 5.653 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.356 -9.400 7.666 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -11.780 -10.765 9.144 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.645 -10.256 7.675 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -12.038 -11.922 7.817 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.343 -11.135 9.097 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.489 -12.309 7.767 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.422 -10.896 7.593 1.00 0.00 H new ATOM 706 N ASP A 48 -11.335 -8.442 5.056 1.00 0.00 N ATOM 707 CA ASP A 48 -12.304 -7.489 4.516 1.00 0.00 C ATOM 708 C ASP A 48 -12.583 -7.767 3.039 1.00 0.00 C ATOM 709 O ASP A 48 -13.721 -7.641 2.583 1.00 0.00 O ATOM 710 CB ASP A 48 -11.800 -6.051 4.693 1.00 0.00 C ATOM 711 CG ASP A 48 -12.891 -5.016 4.484 1.00 0.00 C ATOM 712 OD1 ASP A 48 -13.984 -5.174 5.069 1.00 0.00 O ATOM 713 OD2 ASP A 48 -12.650 -4.044 3.738 1.00 0.00 O ATOM 0 H ASP A 48 -10.399 -8.061 5.192 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.235 -7.609 5.070 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.384 -5.937 5.694 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.989 -5.865 3.988 1.00 0.00 H new ATOM 718 N GLY A 49 -11.539 -8.143 2.296 1.00 0.00 N ATOM 719 CA GLY A 49 -11.694 -8.431 0.879 1.00 0.00 C ATOM 720 C GLY A 49 -11.917 -7.178 0.053 1.00 0.00 C ATOM 721 O GLY A 49 -12.980 -7.005 -0.546 1.00 0.00 O ATOM 0 H GLY A 49 -10.590 -8.253 2.652 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.805 -8.948 0.517 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.536 -9.109 0.739 1.00 0.00 H new ATOM 725 N ARG A 50 -10.912 -6.300 0.024 1.00 0.00 N ATOM 726 CA ARG A 50 -11.002 -5.050 -0.732 1.00 0.00 C ATOM 727 C ARG A 50 -9.856 -4.922 -1.736 1.00 0.00 C ATOM 728 O ARG A 50 -10.081 -4.618 -2.909 1.00 0.00 O ATOM 729 CB ARG A 50 -10.997 -3.848 0.219 1.00 0.00 C ATOM 730 CG ARG A 50 -12.361 -3.192 0.372 1.00 0.00 C ATOM 731 CD ARG A 50 -12.445 -1.883 -0.398 1.00 0.00 C ATOM 732 NE ARG A 50 -13.214 -0.869 0.326 1.00 0.00 N ATOM 733 CZ ARG A 50 -14.549 -0.837 0.380 1.00 0.00 C ATOM 734 NH1 ARG A 50 -15.274 -1.769 -0.237 1.00 0.00 N ATOM 735 NH2 ARG A 50 -15.161 0.127 1.060 1.00 0.00 N ATOM 0 H ARG A 50 -10.028 -6.432 0.515 1.00 0.00 H new ATOM 0 HA ARG A 50 -11.941 -5.066 -1.286 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -10.646 -4.171 1.199 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -10.285 -3.108 -0.147 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.134 -3.873 0.017 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.559 -3.007 1.428 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -11.439 -1.508 -0.587 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -12.906 -2.063 -1.369 1.00 0.00 H new ATOM 0 HE ARG A 50 -12.698 -0.141 0.820 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.811 -2.515 -0.756 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -16.292 -1.737 -0.190 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -14.612 0.841 1.539 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -16.180 0.153 1.103 1.00 0.00 H new ATOM 749 N LEU A 51 -8.628 -5.151 -1.266 1.00 0.00 N ATOM 750 CA LEU A 51 -7.444 -5.058 -2.119 1.00 0.00 C ATOM 751 C LEU A 51 -6.924 -6.445 -2.499 1.00 0.00 C ATOM 752 O LEU A 51 -7.316 -7.450 -1.900 1.00 0.00 O ATOM 753 CB LEU A 51 -6.342 -4.261 -1.411 1.00 0.00 C ATOM 754 CG LEU A 51 -5.959 -4.770 -0.016 1.00 0.00 C ATOM 755 CD1 LEU A 51 -4.452 -4.705 0.184 1.00 0.00 C ATOM 756 CD2 LEU A 51 -6.677 -3.968 1.062 1.00 0.00 C ATOM 0 H LEU A 51 -8.429 -5.402 -0.298 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.730 -4.540 -3.034 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.451 -4.267 -2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.665 -3.223 -1.325 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.270 -5.811 0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.201 -5.070 1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.959 -5.324 -0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.115 -3.673 0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.393 -4.344 2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.398 -2.917 0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.755 -4.068 0.933 1.00 0.00 H new ATOM 768 N ALA A 52 -6.041 -6.490 -3.500 1.00 0.00 N ATOM 769 CA ALA A 52 -5.465 -7.750 -3.968 1.00 0.00 C ATOM 770 C ALA A 52 -3.989 -7.590 -4.335 1.00 0.00 C ATOM 771 O ALA A 52 -3.437 -6.489 -4.267 1.00 0.00 O ATOM 772 CB ALA A 52 -6.249 -8.271 -5.165 1.00 0.00 C ATOM 0 H ALA A 52 -5.710 -5.666 -4.002 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.530 -8.471 -3.153 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.812 -9.210 -5.506 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.287 -8.438 -4.876 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.211 -7.539 -5.972 1.00 0.00 H new ATOM 778 N ALA A 53 -3.358 -8.697 -4.731 1.00 0.00 N ATOM 779 CA ALA A 53 -1.949 -8.684 -5.116 1.00 0.00 C ATOM 780 C ALA A 53 -1.765 -8.072 -6.504 1.00 0.00 C ATOM 781 O ALA A 53 -2.563 -8.318 -7.410 1.00 0.00 O ATOM 782 CB ALA A 53 -1.374 -10.092 -5.083 1.00 0.00 C ATOM 0 H ALA A 53 -3.802 -9.613 -4.793 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.411 -8.067 -4.396 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.324 -10.063 -5.373 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.461 -10.497 -4.075 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.925 -10.726 -5.778 1.00 0.00 H new ATOM 788 N GLY A 54 -0.707 -7.279 -6.662 1.00 0.00 N ATOM 789 CA GLY A 54 -0.432 -6.643 -7.941 1.00 0.00 C ATOM 790 C GLY A 54 -1.158 -5.316 -8.110 1.00 0.00 C ATOM 791 O GLY A 54 -1.455 -4.908 -9.234 1.00 0.00 O ATOM 0 H GLY A 54 -0.034 -7.065 -5.926 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.641 -6.479 -8.036 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.724 -7.317 -8.747 1.00 0.00 H new ATOM 795 N ASP A 55 -1.436 -4.640 -6.994 1.00 0.00 N ATOM 796 CA ASP A 55 -2.124 -3.353 -7.024 1.00 0.00 C ATOM 797 C ASP A 55 -1.174 -2.228 -6.618 1.00 0.00 C ATOM 798 O ASP A 55 -0.196 -2.461 -5.908 1.00 0.00 O ATOM 799 CB ASP A 55 -3.340 -3.375 -6.093 1.00 0.00 C ATOM 800 CG ASP A 55 -4.641 -3.633 -6.830 1.00 0.00 C ATOM 801 OD1 ASP A 55 -4.867 -2.997 -7.883 1.00 0.00 O ATOM 802 OD2 ASP A 55 -5.435 -4.471 -6.353 1.00 0.00 O ATOM 0 H ASP A 55 -1.194 -4.965 -6.058 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.465 -3.171 -8.043 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.198 -4.146 -5.336 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.408 -2.422 -5.569 1.00 0.00 H new ATOM 807 N GLN A 56 -1.469 -1.009 -7.070 1.00 0.00 N ATOM 808 CA GLN A 56 -0.637 0.150 -6.750 1.00 0.00 C ATOM 809 C GLN A 56 -1.205 0.923 -5.561 1.00 0.00 C ATOM 810 O GLN A 56 -2.421 1.028 -5.401 1.00 0.00 O ATOM 811 CB GLN A 56 -0.519 1.076 -7.967 1.00 0.00 C ATOM 812 CG GLN A 56 0.473 2.218 -7.777 1.00 0.00 C ATOM 813 CD GLN A 56 -0.012 3.538 -8.351 1.00 0.00 C ATOM 814 OE1 GLN A 56 -1.125 3.637 -8.871 1.00 0.00 O ATOM 815 NE2 GLN A 56 0.827 4.564 -8.259 1.00 0.00 N ATOM 0 H GLN A 56 -2.276 -0.799 -7.657 1.00 0.00 H new ATOM 0 HA GLN A 56 0.355 -0.214 -6.481 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.218 0.486 -8.833 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.501 1.493 -8.191 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.672 2.344 -6.713 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.419 1.951 -8.248 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.739 4.439 -7.821 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.559 5.477 -8.627 1.00 0.00 H new ATOM 824 N LEU A 57 -0.314 1.468 -4.735 1.00 0.00 N ATOM 825 CA LEU A 57 -0.726 2.240 -3.563 1.00 0.00 C ATOM 826 C LEU A 57 -0.551 3.738 -3.805 1.00 0.00 C ATOM 827 O LEU A 57 0.064 4.152 -4.790 1.00 0.00 O ATOM 828 CB LEU A 57 0.073 1.813 -2.327 1.00 0.00 C ATOM 829 CG LEU A 57 -0.703 0.965 -1.316 1.00 0.00 C ATOM 830 CD1 LEU A 57 -0.354 -0.508 -1.470 1.00 0.00 C ATOM 831 CD2 LEU A 57 -0.421 1.437 0.102 1.00 0.00 C ATOM 0 H LEU A 57 0.696 1.390 -4.855 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.783 2.039 -3.387 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.947 1.251 -2.655 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.439 2.707 -1.823 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.768 1.085 -1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.916 -1.093 -0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.609 -0.839 -2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.714 -0.648 -1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.981 0.823 0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.645 1.348 0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.725 2.478 0.206 1.00 0.00 H new ATOM 843 N LEU A 58 -1.099 4.546 -2.897 1.00 0.00 N ATOM 844 CA LEU A 58 -1.009 6.000 -3.004 1.00 0.00 C ATOM 845 C LEU A 58 -0.980 6.656 -1.624 1.00 0.00 C ATOM 846 O LEU A 58 -0.042 7.387 -1.297 1.00 0.00 O ATOM 847 CB LEU A 58 -2.188 6.546 -3.817 1.00 0.00 C ATOM 848 CG LEU A 58 -1.825 7.086 -5.203 1.00 0.00 C ATOM 849 CD1 LEU A 58 -2.952 6.826 -6.189 1.00 0.00 C ATOM 850 CD2 LEU A 58 -1.509 8.574 -5.130 1.00 0.00 C ATOM 0 H LEU A 58 -1.610 4.216 -2.078 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.077 6.241 -3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.926 5.753 -3.935 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.665 7.343 -3.247 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.935 6.563 -5.554 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.676 7.217 -7.168 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.130 5.753 -6.263 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.859 7.321 -5.843 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.253 8.941 -6.124 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.380 9.113 -4.757 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.667 8.735 -4.456 1.00 0.00 H new ATOM 862 N SER A 59 -2.014 6.396 -0.820 1.00 0.00 N ATOM 863 CA SER A 59 -2.108 6.965 0.522 1.00 0.00 C ATOM 864 C SER A 59 -2.325 5.874 1.568 1.00 0.00 C ATOM 865 O SER A 59 -3.017 4.885 1.315 1.00 0.00 O ATOM 866 CB SER A 59 -3.244 7.991 0.589 1.00 0.00 C ATOM 867 OG SER A 59 -3.001 8.959 1.597 1.00 0.00 O ATOM 0 H SER A 59 -2.797 5.795 -1.077 1.00 0.00 H new ATOM 0 HA SER A 59 -1.165 7.465 0.741 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.348 8.486 -0.377 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.187 7.482 0.790 1.00 0.00 H new ATOM 0 HG SER A 59 -2.087 8.857 1.935 1.00 0.00 H new ATOM 873 N VAL A 60 -1.729 6.067 2.742 1.00 0.00 N ATOM 874 CA VAL A 60 -1.851 5.111 3.836 1.00 0.00 C ATOM 875 C VAL A 60 -2.116 5.832 5.149 1.00 0.00 C ATOM 876 O VAL A 60 -1.252 6.553 5.654 1.00 0.00 O ATOM 877 CB VAL A 60 -0.583 4.250 3.983 1.00 0.00 C ATOM 878 CG1 VAL A 60 -0.804 3.147 5.011 1.00 0.00 C ATOM 879 CG2 VAL A 60 -0.174 3.672 2.636 1.00 0.00 C ATOM 0 H VAL A 60 -1.154 6.881 2.959 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.690 4.458 3.598 1.00 0.00 H new ATOM 0 HB VAL A 60 0.230 4.883 4.339 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.102 2.548 5.102 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.044 3.592 5.977 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.629 2.511 4.690 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.724 3.066 2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.981 3.051 2.246 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.028 4.484 1.938 1.00 0.00 H new ATOM 889 N ASP A 61 -3.319 5.644 5.690 1.00 0.00 N ATOM 890 CA ASP A 61 -3.712 6.287 6.942 1.00 0.00 C ATOM 891 C ASP A 61 -3.629 7.809 6.807 1.00 0.00 C ATOM 892 O ASP A 61 -3.208 8.506 7.732 1.00 0.00 O ATOM 893 CB ASP A 61 -2.825 5.801 8.097 1.00 0.00 C ATOM 894 CG ASP A 61 -3.373 6.184 9.460 1.00 0.00 C ATOM 895 OD1 ASP A 61 -4.574 5.946 9.707 1.00 0.00 O ATOM 896 OD2 ASP A 61 -2.601 6.725 10.280 1.00 0.00 O ATOM 0 H ASP A 61 -4.039 5.050 5.279 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.744 6.014 7.163 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.726 4.717 8.042 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.825 6.219 7.982 1.00 0.00 H new ATOM 901 N GLY A 62 -4.029 8.318 5.639 1.00 0.00 N ATOM 902 CA GLY A 62 -3.989 9.751 5.393 1.00 0.00 C ATOM 903 C GLY A 62 -2.588 10.272 5.082 1.00 0.00 C ATOM 904 O GLY A 62 -2.398 11.481 4.934 1.00 0.00 O ATOM 0 H GLY A 62 -4.380 7.761 4.860 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.650 9.988 4.560 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.378 10.274 6.267 1.00 0.00 H new ATOM 908 N ARG A 63 -1.605 9.371 4.977 1.00 0.00 N ATOM 909 CA ARG A 63 -0.233 9.771 4.679 1.00 0.00 C ATOM 910 C ARG A 63 0.077 9.581 3.199 1.00 0.00 C ATOM 911 O ARG A 63 -0.364 8.609 2.583 1.00 0.00 O ATOM 912 CB ARG A 63 0.762 8.969 5.520 1.00 0.00 C ATOM 913 CG ARG A 63 0.678 9.252 7.011 1.00 0.00 C ATOM 914 CD ARG A 63 2.060 9.292 7.643 1.00 0.00 C ATOM 915 NE ARG A 63 2.027 9.794 9.017 1.00 0.00 N ATOM 916 CZ ARG A 63 3.093 10.283 9.656 1.00 0.00 C ATOM 917 NH1 ARG A 63 4.274 10.337 9.046 1.00 0.00 N ATOM 918 NH2 ARG A 63 2.979 10.720 10.905 1.00 0.00 N ATOM 0 H ARG A 63 -1.737 8.366 5.094 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.135 10.828 4.928 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.590 7.906 5.352 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.773 9.187 5.175 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.173 10.204 7.175 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.076 8.484 7.496 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.490 8.291 7.634 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.714 9.925 7.043 1.00 0.00 H new ATOM 0 HE ARG A 63 1.138 9.769 9.516 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.368 10.004 8.086 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.085 10.711 9.538 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.076 10.683 11.378 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.794 11.093 11.391 1.00 0.00 H new ATOM 932 N SER A 64 0.846 10.511 2.639 1.00 0.00 N ATOM 933 CA SER A 64 1.224 10.448 1.233 1.00 0.00 C ATOM 934 C SER A 64 2.596 9.805 1.069 1.00 0.00 C ATOM 935 O SER A 64 3.617 10.404 1.406 1.00 0.00 O ATOM 936 CB SER A 64 1.227 11.850 0.611 1.00 0.00 C ATOM 937 OG SER A 64 0.081 12.049 -0.197 1.00 0.00 O ATOM 0 H SER A 64 1.219 11.318 3.139 1.00 0.00 H new ATOM 0 HA SER A 64 0.487 9.834 0.715 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.255 12.602 1.400 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.127 11.984 0.011 1.00 0.00 H new ATOM 0 HG SER A 64 0.104 12.950 -0.581 1.00 0.00 H new ATOM 943 N LEU A 65 2.614 8.583 0.539 1.00 0.00 N ATOM 944 CA LEU A 65 3.867 7.864 0.319 1.00 0.00 C ATOM 945 C LEU A 65 4.299 7.957 -1.147 1.00 0.00 C ATOM 946 O LEU A 65 4.911 7.031 -1.683 1.00 0.00 O ATOM 947 CB LEU A 65 3.725 6.395 0.735 1.00 0.00 C ATOM 948 CG LEU A 65 3.330 6.163 2.196 1.00 0.00 C ATOM 949 CD1 LEU A 65 3.014 4.695 2.431 1.00 0.00 C ATOM 950 CD2 LEU A 65 4.435 6.628 3.133 1.00 0.00 C ATOM 0 H LEU A 65 1.778 8.072 0.255 1.00 0.00 H new ATOM 0 HA LEU A 65 4.636 8.330 0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.979 5.924 0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.672 5.888 0.547 1.00 0.00 H new ATOM 0 HG LEU A 65 2.436 6.749 2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.735 4.545 3.474 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.188 4.393 1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.892 4.092 2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.133 6.454 4.166 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.348 6.071 2.923 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.616 7.692 2.982 1.00 0.00 H new ATOM 962 N VAL A 66 3.977 9.084 -1.789 1.00 0.00 N ATOM 963 CA VAL A 66 4.331 9.300 -3.185 1.00 0.00 C ATOM 964 C VAL A 66 5.699 9.966 -3.301 1.00 0.00 C ATOM 965 O VAL A 66 5.835 11.180 -3.130 1.00 0.00 O ATOM 966 CB VAL A 66 3.267 10.152 -3.906 1.00 0.00 C ATOM 967 CG1 VAL A 66 3.740 10.557 -5.296 1.00 0.00 C ATOM 968 CG2 VAL A 66 1.956 9.389 -3.982 1.00 0.00 C ATOM 0 H VAL A 66 3.471 9.858 -1.359 1.00 0.00 H new ATOM 0 HA VAL A 66 4.373 8.323 -3.667 1.00 0.00 H new ATOM 0 HB VAL A 66 3.108 11.065 -3.333 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.970 11.157 -5.782 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.657 11.141 -5.213 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.932 9.663 -5.890 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.210 9.998 -4.493 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.107 8.461 -4.534 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.609 9.160 -2.974 1.00 0.00 H new ATOM 978 N GLY A 67 6.707 9.150 -3.585 1.00 0.00 N ATOM 979 CA GLY A 67 8.068 9.648 -3.716 1.00 0.00 C ATOM 980 C GLY A 67 8.971 9.180 -2.585 1.00 0.00 C ATOM 981 O GLY A 67 9.892 9.895 -2.183 1.00 0.00 O ATOM 0 H GLY A 67 6.607 8.145 -3.728 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.482 9.317 -4.668 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.052 10.738 -3.737 1.00 0.00 H new ATOM 985 N LEU A 68 8.707 7.977 -2.074 1.00 0.00 N ATOM 986 CA LEU A 68 9.494 7.407 -0.986 1.00 0.00 C ATOM 987 C LEU A 68 9.953 5.996 -1.331 1.00 0.00 C ATOM 988 O LEU A 68 9.382 5.345 -2.211 1.00 0.00 O ATOM 989 CB LEU A 68 8.668 7.367 0.302 1.00 0.00 C ATOM 990 CG LEU A 68 8.516 8.704 1.028 1.00 0.00 C ATOM 991 CD1 LEU A 68 7.759 8.512 2.334 1.00 0.00 C ATOM 992 CD2 LEU A 68 9.880 9.333 1.285 1.00 0.00 C ATOM 0 H LEU A 68 7.949 7.377 -2.400 1.00 0.00 H new ATOM 0 HA LEU A 68 10.370 8.039 -0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.674 6.988 0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.127 6.652 0.985 1.00 0.00 H new ATOM 0 HG LEU A 68 7.944 9.380 0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.658 9.472 2.841 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.769 8.106 2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.307 7.820 2.974 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.751 10.284 1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 68 10.479 8.663 1.901 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.387 9.503 0.335 1.00 0.00 H new ATOM 1004 N SER A 69 10.969 5.517 -0.619 1.00 0.00 N ATOM 1005 CA SER A 69 11.481 4.170 -0.837 1.00 0.00 C ATOM 1006 C SER A 69 10.565 3.158 -0.157 1.00 0.00 C ATOM 1007 O SER A 69 9.879 3.492 0.811 1.00 0.00 O ATOM 1008 CB SER A 69 12.909 4.038 -0.297 1.00 0.00 C ATOM 1009 OG SER A 69 13.122 4.897 0.812 1.00 0.00 O ATOM 0 H SER A 69 11.452 6.040 0.111 1.00 0.00 H new ATOM 0 HA SER A 69 11.504 3.973 -1.909 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.094 3.005 -0.001 1.00 0.00 H new ATOM 0 HB3 SER A 69 13.622 4.276 -1.086 1.00 0.00 H new ATOM 0 HG SER A 69 14.040 4.790 1.137 1.00 0.00 H new ATOM 1015 N GLN A 70 10.550 1.924 -0.660 1.00 0.00 N ATOM 1016 CA GLN A 70 9.704 0.882 -0.079 1.00 0.00 C ATOM 1017 C GLN A 70 9.936 0.769 1.430 1.00 0.00 C ATOM 1018 O GLN A 70 8.996 0.533 2.188 1.00 0.00 O ATOM 1019 CB GLN A 70 9.955 -0.466 -0.756 1.00 0.00 C ATOM 1020 CG GLN A 70 9.083 -1.587 -0.211 1.00 0.00 C ATOM 1021 CD GLN A 70 9.897 -2.655 0.488 1.00 0.00 C ATOM 1022 OE1 GLN A 70 9.750 -3.897 0.046 1.00 0.00 O flip ATOM 1023 NE2 GLN A 70 10.656 -2.367 1.412 1.00 0.00 N flip ATOM 0 H GLN A 70 11.107 1.623 -1.460 1.00 0.00 H new ATOM 0 HA GLN A 70 8.665 1.164 -0.248 1.00 0.00 H new ATOM 0 HB2 GLN A 70 9.777 -0.365 -1.827 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.003 -0.737 -0.631 1.00 0.00 H new ATOM 0 HG2 GLN A 70 8.355 -1.173 0.486 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.520 -2.038 -1.029 1.00 0.00 H new ATOM 0 HE21 GLN A 70 10.739 -1.398 1.721 1.00 0.00 H new ATOM 0 HE22 GLN A 70 11.202 -3.097 1.869 1.00 0.00 H new ATOM 1032 N GLU A 71 11.189 0.956 1.860 1.00 0.00 N ATOM 1033 CA GLU A 71 11.530 0.892 3.281 1.00 0.00 C ATOM 1034 C GLU A 71 10.656 1.856 4.082 1.00 0.00 C ATOM 1035 O GLU A 71 10.004 1.459 5.048 1.00 0.00 O ATOM 1036 CB GLU A 71 13.008 1.233 3.497 1.00 0.00 C ATOM 1037 CG GLU A 71 13.965 0.114 3.115 1.00 0.00 C ATOM 1038 CD GLU A 71 14.775 -0.388 4.296 1.00 0.00 C ATOM 1039 OE1 GLU A 71 15.671 0.350 4.759 1.00 0.00 O ATOM 1040 OE2 GLU A 71 14.515 -1.519 4.756 1.00 0.00 O ATOM 0 H GLU A 71 11.979 1.152 1.245 1.00 0.00 H new ATOM 0 HA GLU A 71 11.349 -0.125 3.628 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.254 2.121 2.915 1.00 0.00 H new ATOM 0 HB3 GLU A 71 13.162 1.486 4.546 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.399 -0.714 2.689 1.00 0.00 H new ATOM 0 HG3 GLU A 71 14.643 0.469 2.339 1.00 0.00 H new ATOM 1047 N ARG A 72 10.637 3.122 3.661 1.00 0.00 N ATOM 1048 CA ARG A 72 9.831 4.143 4.329 1.00 0.00 C ATOM 1049 C ARG A 72 8.345 3.810 4.228 1.00 0.00 C ATOM 1050 O ARG A 72 7.599 3.973 5.194 1.00 0.00 O ATOM 1051 CB ARG A 72 10.093 5.521 3.714 1.00 0.00 C ATOM 1052 CG ARG A 72 11.475 6.075 4.018 1.00 0.00 C ATOM 1053 CD ARG A 72 11.518 6.728 5.390 1.00 0.00 C ATOM 1054 NE ARG A 72 10.748 7.974 5.436 1.00 0.00 N ATOM 1055 CZ ARG A 72 10.312 8.541 6.565 1.00 0.00 C ATOM 1056 NH1 ARG A 72 10.569 7.981 7.743 1.00 0.00 N ATOM 1057 NH2 ARG A 72 9.617 9.673 6.517 1.00 0.00 N ATOM 0 H ARG A 72 11.170 3.464 2.861 1.00 0.00 H new ATOM 0 HA ARG A 72 10.117 4.162 5.381 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.967 5.456 2.633 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.342 6.221 4.081 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.210 5.271 3.972 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.752 6.804 3.257 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.126 6.033 6.133 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.554 6.933 5.660 1.00 0.00 H new ATOM 0 HE ARG A 72 10.532 8.436 4.553 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.102 7.113 7.789 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.233 8.420 8.600 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.416 10.110 5.618 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.285 10.105 7.380 1.00 0.00 H new ATOM 1071 N ALA A 73 7.922 3.343 3.053 1.00 0.00 N ATOM 1072 CA ALA A 73 6.524 2.988 2.826 1.00 0.00 C ATOM 1073 C ALA A 73 6.073 1.881 3.777 1.00 0.00 C ATOM 1074 O ALA A 73 5.149 2.075 4.567 1.00 0.00 O ATOM 1075 CB ALA A 73 6.310 2.568 1.377 1.00 0.00 C ATOM 0 H ALA A 73 8.528 3.202 2.245 1.00 0.00 H new ATOM 0 HA ALA A 73 5.916 3.870 3.027 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.263 2.307 1.225 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.578 3.392 0.716 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.936 1.704 1.152 1.00 0.00 H new ATOM 1081 N ALA A 74 6.737 0.725 3.702 1.00 0.00 N ATOM 1082 CA ALA A 74 6.407 -0.414 4.562 1.00 0.00 C ATOM 1083 C ALA A 74 6.471 -0.038 6.047 1.00 0.00 C ATOM 1084 O ALA A 74 5.697 -0.551 6.854 1.00 0.00 O ATOM 1085 CB ALA A 74 7.335 -1.589 4.272 1.00 0.00 C ATOM 0 H ALA A 74 7.506 0.553 3.055 1.00 0.00 H new ATOM 0 HA ALA A 74 5.382 -0.709 4.338 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.075 -2.426 4.920 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.227 -1.890 3.230 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.367 -1.292 4.459 1.00 0.00 H new ATOM 1091 N GLU A 75 7.393 0.858 6.404 1.00 0.00 N ATOM 1092 CA GLU A 75 7.537 1.289 7.795 1.00 0.00 C ATOM 1093 C GLU A 75 6.391 2.211 8.213 1.00 0.00 C ATOM 1094 O GLU A 75 5.828 2.059 9.297 1.00 0.00 O ATOM 1095 CB GLU A 75 8.873 2.001 8.009 1.00 0.00 C ATOM 1096 CG GLU A 75 9.670 1.450 9.180 1.00 0.00 C ATOM 1097 CD GLU A 75 10.485 0.228 8.804 1.00 0.00 C ATOM 1098 OE1 GLU A 75 11.344 0.341 7.904 1.00 0.00 O ATOM 1099 OE2 GLU A 75 10.261 -0.842 9.407 1.00 0.00 O ATOM 0 H GLU A 75 8.046 1.296 5.755 1.00 0.00 H new ATOM 0 HA GLU A 75 7.507 0.394 8.416 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.470 1.917 7.101 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.688 3.063 8.172 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.337 2.225 9.558 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.988 1.193 9.990 1.00 0.00 H new ATOM 1106 N LEU A 76 6.056 3.171 7.354 1.00 0.00 N ATOM 1107 CA LEU A 76 4.980 4.117 7.645 1.00 0.00 C ATOM 1108 C LEU A 76 3.614 3.424 7.663 1.00 0.00 C ATOM 1109 O LEU A 76 2.724 3.821 8.414 1.00 0.00 O ATOM 1110 CB LEU A 76 4.983 5.257 6.622 1.00 0.00 C ATOM 1111 CG LEU A 76 5.934 6.414 6.942 1.00 0.00 C ATOM 1112 CD1 LEU A 76 6.145 7.292 5.716 1.00 0.00 C ATOM 1113 CD2 LEU A 76 5.398 7.236 8.106 1.00 0.00 C ATOM 0 H LEU A 76 6.512 3.315 6.453 1.00 0.00 H new ATOM 0 HA LEU A 76 5.159 4.529 8.638 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.248 4.849 5.647 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.971 5.652 6.538 1.00 0.00 H new ATOM 0 HG LEU A 76 6.899 5.997 7.231 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.824 8.108 5.965 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.574 6.696 4.911 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.188 7.702 5.393 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.085 8.054 8.321 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.421 7.642 7.845 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.303 6.601 8.987 1.00 0.00 H new ATOM 1125 N MET A 77 3.454 2.390 6.834 1.00 0.00 N ATOM 1126 CA MET A 77 2.191 1.654 6.764 1.00 0.00 C ATOM 1127 C MET A 77 1.995 0.761 7.988 1.00 0.00 C ATOM 1128 O MET A 77 0.928 0.771 8.600 1.00 0.00 O ATOM 1129 CB MET A 77 2.126 0.809 5.489 1.00 0.00 C ATOM 1130 CG MET A 77 2.132 1.626 4.205 1.00 0.00 C ATOM 1131 SD MET A 77 1.113 0.897 2.905 1.00 0.00 S ATOM 1132 CE MET A 77 1.525 -0.837 3.052 1.00 0.00 C ATOM 0 H MET A 77 4.179 2.045 6.205 1.00 0.00 H new ATOM 0 HA MET A 77 1.387 2.390 6.745 1.00 0.00 H new ATOM 0 HB2 MET A 77 2.974 0.124 5.476 1.00 0.00 H new ATOM 0 HB3 MET A 77 1.223 0.199 5.515 1.00 0.00 H new ATOM 0 HG2 MET A 77 1.774 2.633 4.419 1.00 0.00 H new ATOM 0 HG3 MET A 77 3.157 1.722 3.846 1.00 0.00 H new ATOM 0 HE1 MET A 77 1.420 -1.320 2.080 1.00 0.00 H new ATOM 0 HE2 MET A 77 2.553 -0.939 3.399 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.853 -1.311 3.767 1.00 0.00 H new ATOM 1142 N THR A 78 3.023 -0.011 8.344 1.00 0.00 N ATOM 1143 CA THR A 78 2.939 -0.899 9.505 1.00 0.00 C ATOM 1144 C THR A 78 2.770 -0.093 10.794 1.00 0.00 C ATOM 1145 O THR A 78 2.085 -0.529 11.722 1.00 0.00 O ATOM 1146 CB THR A 78 4.179 -1.801 9.598 1.00 0.00 C ATOM 1147 OG1 THR A 78 4.078 -2.687 10.700 1.00 0.00 O ATOM 1148 CG2 THR A 78 5.485 -1.042 9.737 1.00 0.00 C ATOM 0 H THR A 78 3.915 -0.040 7.851 1.00 0.00 H new ATOM 0 HA THR A 78 2.062 -1.534 9.377 1.00 0.00 H new ATOM 0 HB THR A 78 4.199 -2.342 8.652 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.877 -3.253 10.739 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.312 -1.749 9.797 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.623 -0.394 8.871 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.459 -0.437 10.643 1.00 0.00 H new ATOM 1156 N ARG A 79 3.391 1.087 10.842 1.00 0.00 N ATOM 1157 CA ARG A 79 3.306 1.955 12.015 1.00 0.00 C ATOM 1158 C ARG A 79 2.034 2.815 11.993 1.00 0.00 C ATOM 1159 O ARG A 79 2.090 4.029 12.203 1.00 0.00 O ATOM 1160 CB ARG A 79 4.545 2.854 12.101 1.00 0.00 C ATOM 1161 CG ARG A 79 5.776 2.159 12.667 1.00 0.00 C ATOM 1162 CD ARG A 79 6.845 3.163 13.077 1.00 0.00 C ATOM 1163 NE ARG A 79 7.283 4.000 11.957 1.00 0.00 N ATOM 1164 CZ ARG A 79 8.217 4.950 12.056 1.00 0.00 C ATOM 1165 NH1 ARG A 79 8.826 5.177 13.217 1.00 0.00 N ATOM 1166 NH2 ARG A 79 8.543 5.676 10.993 1.00 0.00 N ATOM 0 H ARG A 79 3.958 1.462 10.082 1.00 0.00 H new ATOM 0 HA ARG A 79 3.262 1.315 12.896 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.778 3.230 11.105 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.311 3.719 12.721 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.491 1.557 13.530 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.184 1.476 11.922 1.00 0.00 H new ATOM 0 HD2 ARG A 79 6.456 3.799 13.872 1.00 0.00 H new ATOM 0 HD3 ARG A 79 7.703 2.630 13.486 1.00 0.00 H new ATOM 0 HE ARG A 79 6.849 3.848 11.047 1.00 0.00 H new ATOM 0 HH11 ARG A 79 8.581 4.624 14.038 1.00 0.00 H new ATOM 0 HH12 ARG A 79 9.538 5.904 13.286 1.00 0.00 H new ATOM 0 HH21 ARG A 79 8.080 5.509 10.100 1.00 0.00 H new ATOM 0 HH22 ARG A 79 9.256 6.401 11.070 1.00 0.00 H new ATOM 1180 N THR A 80 0.885 2.180 11.750 1.00 0.00 N ATOM 1181 CA THR A 80 -0.394 2.889 11.720 1.00 0.00 C ATOM 1182 C THR A 80 -1.095 2.790 13.077 1.00 0.00 C ATOM 1183 O THR A 80 -0.543 2.232 14.027 1.00 0.00 O ATOM 1184 CB THR A 80 -1.302 2.315 10.624 1.00 0.00 C ATOM 1185 OG1 THR A 80 -1.097 0.920 10.475 1.00 0.00 O ATOM 1186 CG2 THR A 80 -1.086 2.961 9.275 1.00 0.00 C ATOM 0 H THR A 80 0.815 1.178 11.572 1.00 0.00 H new ATOM 0 HA THR A 80 -0.195 3.938 11.501 1.00 0.00 H new ATOM 0 HB THR A 80 -2.320 2.526 10.952 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.432 0.760 9.773 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.758 2.511 8.544 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.291 4.029 9.346 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.054 2.809 8.960 1.00 0.00 H new ATOM 1194 N SER A 81 -2.314 3.325 13.158 1.00 0.00 N ATOM 1195 CA SER A 81 -3.094 3.287 14.394 1.00 0.00 C ATOM 1196 C SER A 81 -4.200 2.233 14.292 1.00 0.00 C ATOM 1197 O SER A 81 -4.170 1.380 13.401 1.00 0.00 O ATOM 1198 CB SER A 81 -3.696 4.668 14.684 1.00 0.00 C ATOM 1199 OG SER A 81 -2.743 5.697 14.480 1.00 0.00 O ATOM 0 H SER A 81 -2.782 3.790 12.381 1.00 0.00 H new ATOM 0 HA SER A 81 -2.432 3.016 15.217 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.558 4.834 14.038 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.057 4.702 15.712 1.00 0.00 H new ATOM 0 HG SER A 81 -3.154 6.566 14.670 1.00 0.00 H new ATOM 1205 N SER A 82 -5.179 2.297 15.198 1.00 0.00 N ATOM 1206 CA SER A 82 -6.296 1.350 15.192 1.00 0.00 C ATOM 1207 C SER A 82 -7.020 1.375 13.843 1.00 0.00 C ATOM 1208 O SER A 82 -7.549 0.359 13.394 1.00 0.00 O ATOM 1209 CB SER A 82 -7.284 1.678 16.318 1.00 0.00 C ATOM 1210 OG SER A 82 -7.611 3.057 16.326 1.00 0.00 O ATOM 0 H SER A 82 -5.221 2.993 15.943 1.00 0.00 H new ATOM 0 HA SER A 82 -5.892 0.351 15.355 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.191 1.087 16.193 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.851 1.398 17.278 1.00 0.00 H new ATOM 0 HG SER A 82 -8.244 3.239 17.052 1.00 0.00 H new ATOM 1216 N VAL A 83 -7.033 2.546 13.204 1.00 0.00 N ATOM 1217 CA VAL A 83 -7.679 2.720 11.911 1.00 0.00 C ATOM 1218 C VAL A 83 -6.639 2.918 10.813 1.00 0.00 C ATOM 1219 O VAL A 83 -5.568 3.478 11.056 1.00 0.00 O ATOM 1220 CB VAL A 83 -8.634 3.931 11.921 1.00 0.00 C ATOM 1221 CG1 VAL A 83 -9.443 3.991 10.632 1.00 0.00 C ATOM 1222 CG2 VAL A 83 -9.551 3.885 13.135 1.00 0.00 C ATOM 0 H VAL A 83 -6.598 3.393 13.569 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.255 1.816 11.712 1.00 0.00 H new ATOM 0 HB VAL A 83 -8.033 4.838 11.986 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -10.110 4.853 10.661 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.767 4.084 9.782 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -10.032 3.080 10.529 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.216 4.749 13.122 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -10.143 2.970 13.109 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.951 3.903 14.045 1.00 0.00 H new ATOM 1232 N VAL A 84 -6.959 2.456 9.607 1.00 0.00 N ATOM 1233 CA VAL A 84 -6.053 2.583 8.474 1.00 0.00 C ATOM 1234 C VAL A 84 -6.824 2.803 7.175 1.00 0.00 C ATOM 1235 O VAL A 84 -7.865 2.185 6.950 1.00 0.00 O ATOM 1236 CB VAL A 84 -5.149 1.339 8.334 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -5.979 0.092 8.063 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -4.104 1.552 7.248 1.00 0.00 C ATOM 0 H VAL A 84 -7.840 1.990 9.391 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.424 3.453 8.664 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.625 1.190 9.278 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.319 -0.771 7.968 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -6.672 -0.070 8.888 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -6.540 0.223 7.138 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.478 0.663 7.166 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.601 1.735 6.295 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.483 2.411 7.504 1.00 0.00 H new ATOM 1248 N THR A 85 -6.303 3.691 6.330 1.00 0.00 N ATOM 1249 CA THR A 85 -6.931 4.005 5.049 1.00 0.00 C ATOM 1250 C THR A 85 -5.950 3.788 3.898 1.00 0.00 C ATOM 1251 O THR A 85 -5.153 4.671 3.575 1.00 0.00 O ATOM 1252 CB THR A 85 -7.442 5.453 5.040 1.00 0.00 C ATOM 1253 OG1 THR A 85 -6.676 6.273 5.912 1.00 0.00 O ATOM 1254 CG2 THR A 85 -8.896 5.575 5.446 1.00 0.00 C ATOM 0 H THR A 85 -5.443 4.208 6.512 1.00 0.00 H new ATOM 0 HA THR A 85 -7.779 3.333 4.914 1.00 0.00 H new ATOM 0 HB THR A 85 -7.339 5.785 4.007 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.021 7.190 5.886 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.195 6.623 5.419 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.516 5.003 4.755 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.025 5.187 6.456 1.00 0.00 H new ATOM 1262 N LEU A 86 -6.011 2.606 3.284 1.00 0.00 N ATOM 1263 CA LEU A 86 -5.124 2.276 2.170 1.00 0.00 C ATOM 1264 C LEU A 86 -5.754 2.661 0.834 1.00 0.00 C ATOM 1265 O LEU A 86 -6.653 1.976 0.342 1.00 0.00 O ATOM 1266 CB LEU A 86 -4.788 0.782 2.177 1.00 0.00 C ATOM 1267 CG LEU A 86 -3.318 0.450 2.435 1.00 0.00 C ATOM 1268 CD1 LEU A 86 -3.051 0.329 3.929 1.00 0.00 C ATOM 1269 CD2 LEU A 86 -2.931 -0.832 1.708 1.00 0.00 C ATOM 0 H LEU A 86 -6.663 1.864 3.539 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.205 2.848 2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.394 0.292 2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.078 0.356 1.217 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.703 1.263 2.048 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.000 0.092 4.093 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.291 1.272 4.419 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.671 -0.465 4.346 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.882 -1.057 1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.550 -1.655 2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.084 -0.703 0.637 1.00 0.00 H new ATOM 1281 N GLU A 87 -5.268 3.755 0.248 1.00 0.00 N ATOM 1282 CA GLU A 87 -5.772 4.230 -1.037 1.00 0.00 C ATOM 1283 C GLU A 87 -5.146 3.428 -2.180 1.00 0.00 C ATOM 1284 O GLU A 87 -4.159 3.853 -2.787 1.00 0.00 O ATOM 1285 CB GLU A 87 -5.471 5.721 -1.210 1.00 0.00 C ATOM 1286 CG GLU A 87 -6.691 6.615 -1.044 1.00 0.00 C ATOM 1287 CD GLU A 87 -6.544 7.950 -1.752 1.00 0.00 C ATOM 1288 OE1 GLU A 87 -5.436 8.527 -1.713 1.00 0.00 O ATOM 1289 OE2 GLU A 87 -7.538 8.419 -2.345 1.00 0.00 O ATOM 0 H GLU A 87 -4.524 4.329 0.645 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.853 4.089 -1.060 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.714 6.016 -0.484 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.044 5.884 -2.200 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.569 6.099 -1.431 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.866 6.789 0.018 1.00 0.00 H new ATOM 1296 N VAL A 88 -5.724 2.262 -2.462 1.00 0.00 N ATOM 1297 CA VAL A 88 -5.227 1.389 -3.520 1.00 0.00 C ATOM 1298 C VAL A 88 -5.785 1.792 -4.885 1.00 0.00 C ATOM 1299 O VAL A 88 -6.944 2.196 -4.998 1.00 0.00 O ATOM 1300 CB VAL A 88 -5.577 -0.089 -3.234 1.00 0.00 C ATOM 1301 CG1 VAL A 88 -7.085 -0.301 -3.234 1.00 0.00 C ATOM 1302 CG2 VAL A 88 -4.901 -1.008 -4.241 1.00 0.00 C ATOM 0 H VAL A 88 -6.540 1.900 -1.969 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.143 1.499 -3.540 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.202 -0.339 -2.241 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.305 -1.349 -3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.540 0.322 -2.464 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -7.491 -0.028 -4.208 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.161 -2.043 -4.021 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.237 -0.756 -5.247 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.820 -0.884 -4.178 1.00 0.00 H new ATOM 1312 N ALA A 89 -4.952 1.677 -5.917 1.00 0.00 N ATOM 1313 CA ALA A 89 -5.354 2.026 -7.275 1.00 0.00 C ATOM 1314 C ALA A 89 -5.349 0.800 -8.184 1.00 0.00 C ATOM 1315 O ALA A 89 -4.305 0.181 -8.399 1.00 0.00 O ATOM 1316 CB ALA A 89 -4.436 3.105 -7.834 1.00 0.00 C ATOM 0 H ALA A 89 -3.991 1.343 -5.837 1.00 0.00 H new ATOM 0 HA ALA A 89 -6.373 2.412 -7.238 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.746 3.357 -8.848 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.494 3.994 -7.205 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.410 2.738 -7.849 1.00 0.00 H new ATOM 1322 N LYS A 90 -6.523 0.456 -8.716 1.00 0.00 N ATOM 1323 CA LYS A 90 -6.661 -0.698 -9.607 1.00 0.00 C ATOM 1324 C LYS A 90 -6.012 -0.421 -10.963 1.00 0.00 C ATOM 1325 O LYS A 90 -5.987 0.722 -11.427 1.00 0.00 O ATOM 1326 CB LYS A 90 -8.139 -1.053 -9.798 1.00 0.00 C ATOM 1327 CG LYS A 90 -8.922 -1.131 -8.496 1.00 0.00 C ATOM 1328 CD LYS A 90 -9.583 -2.488 -8.314 1.00 0.00 C ATOM 1329 CE LYS A 90 -11.012 -2.347 -7.813 1.00 0.00 C ATOM 1330 NZ LYS A 90 -11.069 -1.999 -6.363 1.00 0.00 N ATOM 0 H LYS A 90 -7.393 0.960 -8.545 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.150 -1.543 -9.145 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.602 -0.308 -10.446 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.210 -2.011 -10.312 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.253 -0.937 -7.658 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -9.684 -0.351 -8.483 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.580 -3.026 -9.262 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.005 -3.084 -7.607 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.523 -1.577 -8.390 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.548 -3.281 -7.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -12.062 -1.913 -6.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.605 -2.746 -5.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.580 -1.095 -6.204 1.00 0.00 H new ATOM 1344 N GLN A 91 -5.483 -1.472 -11.594 1.00 0.00 N ATOM 1345 CA GLN A 91 -4.827 -1.340 -12.896 1.00 0.00 C ATOM 1346 C GLN A 91 -5.186 -2.500 -13.827 1.00 0.00 C ATOM 1347 O GLN A 91 -5.768 -3.498 -13.398 1.00 0.00 O ATOM 1348 CB GLN A 91 -3.306 -1.267 -12.717 1.00 0.00 C ATOM 1349 CG GLN A 91 -2.683 -2.552 -12.189 1.00 0.00 C ATOM 1350 CD GLN A 91 -1.507 -2.294 -11.266 1.00 0.00 C ATOM 1351 OE1 GLN A 91 -1.794 -1.902 -10.029 1.00 0.00 O flip ATOM 1352 NE2 GLN A 91 -0.350 -2.444 -11.659 1.00 0.00 N flip ATOM 0 H GLN A 91 -5.496 -2.423 -11.224 1.00 0.00 H new ATOM 0 HA GLN A 91 -5.183 -0.417 -13.354 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.849 -1.021 -13.675 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -3.070 -0.452 -12.032 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -3.440 -3.126 -11.655 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -2.353 -3.164 -13.029 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -0.172 -2.746 -12.617 1.00 0.00 H new ATOM 0 HE22 GLN A 91 0.430 -2.266 -11.027 1.00 0.00 H new ATOM 1361 N GLY A 92 -4.825 -2.357 -15.105 1.00 0.00 N ATOM 1362 CA GLY A 92 -5.106 -3.395 -16.087 1.00 0.00 C ATOM 1363 C GLY A 92 -3.961 -4.361 -16.289 1.00 0.00 C ATOM 1364 O GLY A 92 -4.078 -5.341 -17.027 1.00 0.00 O ATOM 0 H GLY A 92 -4.342 -1.539 -15.477 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.989 -3.951 -15.773 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.347 -2.926 -17.041 1.00 0.00 H new ATOM 1368 N ALA A 93 -2.867 -4.077 -15.627 1.00 0.00 N ATOM 1369 CA ALA A 93 -1.666 -4.903 -15.701 1.00 0.00 C ATOM 1370 C ALA A 93 -0.751 -4.646 -14.506 1.00 0.00 C ATOM 1371 O ALA A 93 -0.148 -3.551 -14.443 1.00 0.00 O ATOM 1372 CB ALA A 93 -0.925 -4.649 -17.005 1.00 0.00 C ATOM 1373 OXT ALA A 93 -0.647 -5.539 -13.640 1.00 0.00 O ATOM 0 H ALA A 93 -2.774 -3.265 -15.016 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.972 -5.949 -15.673 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.032 -5.273 -17.044 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.574 -4.892 -17.846 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.637 -3.599 -17.061 1.00 0.00 H new TER 1379 ALA A 93 ATOM 1380 N LEU B 99 15.839 -5.213 -0.530 1.00 0.00 N ATOM 1381 CA LEU B 99 14.995 -4.069 -0.078 1.00 0.00 C ATOM 1382 C LEU B 99 13.521 -4.272 -0.445 1.00 0.00 C ATOM 1383 O LEU B 99 12.660 -4.311 0.434 1.00 0.00 O ATOM 1384 CB LEU B 99 15.522 -2.764 -0.698 1.00 0.00 C ATOM 1385 CG LEU B 99 15.936 -2.839 -2.175 1.00 0.00 C ATOM 1386 CD1 LEU B 99 15.015 -1.984 -3.037 1.00 0.00 C ATOM 1387 CD2 LEU B 99 17.385 -2.404 -2.345 1.00 0.00 C ATOM 0 HA LEU B 99 15.056 -4.011 1.009 1.00 0.00 H new ATOM 0 HB2 LEU B 99 14.752 -2.000 -0.596 1.00 0.00 H new ATOM 0 HB3 LEU B 99 16.382 -2.430 -0.117 1.00 0.00 H new ATOM 0 HG LEU B 99 15.846 -3.874 -2.504 1.00 0.00 H new ATOM 0 HD11 LEU B 99 15.326 -2.051 -4.079 1.00 0.00 H new ATOM 0 HD12 LEU B 99 13.990 -2.342 -2.940 1.00 0.00 H new ATOM 0 HD13 LEU B 99 15.069 -0.946 -2.709 1.00 0.00 H new ATOM 0 HD21 LEU B 99 17.662 -2.463 -3.398 1.00 0.00 H new ATOM 0 HD22 LEU B 99 17.500 -1.377 -1.997 1.00 0.00 H new ATOM 0 HD23 LEU B 99 18.032 -3.059 -1.762 1.00 0.00 H new ATOM 1401 N PHE B 100 13.238 -4.393 -1.747 1.00 0.00 N ATOM 1402 CA PHE B 100 11.866 -4.584 -2.230 1.00 0.00 C ATOM 1403 C PHE B 100 11.266 -5.894 -1.720 1.00 0.00 C ATOM 1404 O PHE B 100 11.967 -6.723 -1.138 1.00 0.00 O ATOM 1405 CB PHE B 100 11.820 -4.552 -3.766 1.00 0.00 C ATOM 1406 CG PHE B 100 12.610 -5.652 -4.428 1.00 0.00 C ATOM 1407 CD1 PHE B 100 13.945 -5.465 -4.754 1.00 0.00 C ATOM 1408 CD2 PHE B 100 12.016 -6.870 -4.729 1.00 0.00 C ATOM 1409 CE1 PHE B 100 14.674 -6.472 -5.357 1.00 0.00 C ATOM 1410 CE2 PHE B 100 12.741 -7.880 -5.333 1.00 0.00 C ATOM 1411 CZ PHE B 100 14.071 -7.679 -5.650 1.00 0.00 C ATOM 0 H PHE B 100 13.941 -4.362 -2.485 1.00 0.00 H new ATOM 0 HA PHE B 100 11.268 -3.761 -1.838 1.00 0.00 H new ATOM 0 HB2 PHE B 100 10.781 -4.620 -4.089 1.00 0.00 H new ATOM 0 HB3 PHE B 100 12.199 -3.590 -4.110 1.00 0.00 H new ATOM 0 HD1 PHE B 100 14.421 -4.521 -4.534 1.00 0.00 H new ATOM 0 HD2 PHE B 100 10.975 -7.030 -4.488 1.00 0.00 H new ATOM 0 HE1 PHE B 100 15.715 -6.315 -5.599 1.00 0.00 H new ATOM 0 HE2 PHE B 100 12.269 -8.825 -5.557 1.00 0.00 H new ATOM 0 HZ PHE B 100 14.638 -8.465 -6.126 1.00 0.00 H new ATOM 1421 N SER B 101 9.961 -6.067 -1.945 1.00 0.00 N ATOM 1422 CA SER B 101 9.238 -7.268 -1.515 1.00 0.00 C ATOM 1423 C SER B 101 9.430 -7.536 -0.018 1.00 0.00 C ATOM 1424 O SER B 101 10.090 -8.500 0.376 1.00 0.00 O ATOM 1425 CB SER B 101 9.658 -8.495 -2.344 1.00 0.00 C ATOM 1426 OG SER B 101 10.969 -8.937 -2.023 1.00 0.00 O ATOM 0 H SER B 101 9.378 -5.383 -2.428 1.00 0.00 H new ATOM 0 HA SER B 101 8.177 -7.086 -1.687 1.00 0.00 H new ATOM 0 HB2 SER B 101 8.951 -9.306 -2.172 1.00 0.00 H new ATOM 0 HB3 SER B 101 9.609 -8.249 -3.405 1.00 0.00 H new ATOM 0 HG SER B 101 11.349 -8.357 -1.330 1.00 0.00 H new ATOM 1432 N THR B 102 8.832 -6.681 0.811 1.00 0.00 N ATOM 1433 CA THR B 102 8.919 -6.824 2.261 1.00 0.00 C ATOM 1434 C THR B 102 7.555 -7.210 2.839 1.00 0.00 C ATOM 1435 O THR B 102 6.661 -7.625 2.100 1.00 0.00 O ATOM 1436 CB THR B 102 9.442 -5.523 2.888 1.00 0.00 C ATOM 1437 OG1 THR B 102 10.059 -5.782 4.134 1.00 0.00 O ATOM 1438 CG2 THR B 102 8.378 -4.465 3.116 1.00 0.00 C ATOM 0 H THR B 102 8.281 -5.881 0.501 1.00 0.00 H new ATOM 0 HA THR B 102 9.622 -7.622 2.500 1.00 0.00 H new ATOM 0 HB THR B 102 10.151 -5.133 2.158 1.00 0.00 H new ATOM 0 HG1 THR B 102 10.387 -4.942 4.517 1.00 0.00 H new ATOM 0 HG21 THR B 102 8.834 -3.581 3.561 1.00 0.00 H new ATOM 0 HG22 THR B 102 7.921 -4.197 2.163 1.00 0.00 H new ATOM 0 HG23 THR B 102 7.614 -4.856 3.788 1.00 0.00 H new ATOM 1446 N GLU B 103 7.394 -7.070 4.155 1.00 0.00 N ATOM 1447 CA GLU B 103 6.131 -7.403 4.807 1.00 0.00 C ATOM 1448 C GLU B 103 5.678 -6.278 5.736 1.00 0.00 C ATOM 1449 O GLU B 103 6.437 -5.821 6.595 1.00 0.00 O ATOM 1450 CB GLU B 103 6.249 -8.728 5.575 1.00 0.00 C ATOM 1451 CG GLU B 103 7.311 -8.731 6.668 1.00 0.00 C ATOM 1452 CD GLU B 103 8.091 -10.033 6.724 1.00 0.00 C ATOM 1453 OE1 GLU B 103 7.523 -11.050 7.178 1.00 0.00 O ATOM 1454 OE2 GLU B 103 9.271 -10.034 6.315 1.00 0.00 O ATOM 0 H GLU B 103 8.119 -6.730 4.786 1.00 0.00 H new ATOM 0 HA GLU B 103 5.374 -7.522 4.032 1.00 0.00 H new ATOM 0 HB2 GLU B 103 5.283 -8.961 6.023 1.00 0.00 H new ATOM 0 HB3 GLU B 103 6.472 -9.526 4.867 1.00 0.00 H new ATOM 0 HG2 GLU B 103 8.002 -7.905 6.500 1.00 0.00 H new ATOM 0 HG3 GLU B 103 6.834 -8.556 7.633 1.00 0.00 H new ATOM 1461 N VAL B 104 4.435 -5.833 5.551 1.00 0.00 N ATOM 1462 CA VAL B 104 3.868 -4.759 6.363 1.00 0.00 C ATOM 1463 C VAL B 104 2.556 -5.199 7.024 1.00 0.00 C ATOM 1464 O VAL B 104 2.328 -4.819 8.192 1.00 0.00 O ATOM 1465 CB VAL B 104 3.635 -3.481 5.520 1.00 0.00 C ATOM 1466 CG1 VAL B 104 2.649 -3.743 4.392 1.00 0.00 C ATOM 1467 CG2 VAL B 104 3.154 -2.336 6.398 1.00 0.00 C ATOM 1468 OXT VAL B 104 1.772 -5.926 6.374 1.00 0.00 O ATOM 0 H VAL B 104 3.800 -6.202 4.843 1.00 0.00 H new ATOM 0 HA VAL B 104 4.591 -4.529 7.146 1.00 0.00 H new ATOM 0 HB VAL B 104 4.588 -3.195 5.075 1.00 0.00 H new ATOM 0 HG11 VAL B 104 2.504 -2.829 3.816 1.00 0.00 H new ATOM 0 HG12 VAL B 104 3.041 -4.524 3.740 1.00 0.00 H new ATOM 0 HG13 VAL B 104 1.695 -4.064 4.810 1.00 0.00 H new ATOM 0 HG21 VAL B 104 2.997 -1.449 5.785 1.00 0.00 H new ATOM 0 HG22 VAL B 104 2.217 -2.615 6.879 1.00 0.00 H new ATOM 0 HG23 VAL B 104 3.903 -2.122 7.160 1.00 0.00 H new TER 1478 VAL B 104