USER MOD reduce.3.24.130724 H: found=0, std=0, add=922, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 922 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 42 GLN : amide:sc= -0.698 X(o=-8.3,f=-8.3) USER MOD Set 1.2: A 44 GLN : amide:sc= -7.56! C(o=-8.3!,f=-8.3!) USER MOD Single : A 9 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.068) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0451 USER MOD Single : A 18 SER OG : rot 180:sc= -0.0315 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.0994 X(o=-0.099,f=-0.047) USER MOD Single : A 31 MET CE :methyl -112:sc= -3.38! (180deg=-8.98!) USER MOD Single : A 34 TYR OH : rot -21:sc=0.000458 USER MOD Single : A 36 GLN : amide:sc= -3.4! C(o=-3.4!,f=-11!) USER MOD Single : A 38 THR OG1 : rot 90:sc= -0.907 USER MOD Single : A 39 CYS SG : rot 180:sc= -0.56 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 127:sc= -0.495! USER MOD Single : A 47 ASN : amide:sc= -0.0194 K(o=-0.019,f=-0.69) USER MOD Single : A 52 MET CE :methyl -157:sc= -0.0103 (180deg=-0.401) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.147 X(o=0.15,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.154 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -67:sc= 0.357 USER MOD Single : A 70 THR OG1 : rot 105:sc= 0.021 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 19:sc= 0.0852 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= 0.025! C(o=0.025!,f=-7.3!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= -0.172 USER MOD Single : A 119 LYS NZ :NH3+ -137:sc= -0.0148 (180deg=-0.637) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -9.418 19.443 -2.251 1.00 0.00 N ATOM 60 CA GLY A 7 -8.194 18.682 -2.064 1.00 0.00 C ATOM 61 C GLY A 7 -7.157 19.043 -3.129 1.00 0.00 C ATOM 62 O GLY A 7 -7.384 19.934 -3.946 1.00 0.00 O ATOM 0 HA2 GLY A 7 -7.786 18.880 -1.073 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.414 17.615 -2.112 1.00 0.00 H new ATOM 66 N PRO A 8 -6.010 18.313 -3.085 1.00 0.00 N ATOM 67 CA PRO A 8 -4.937 18.547 -4.036 1.00 0.00 C ATOM 68 C PRO A 8 -5.288 17.976 -5.411 1.00 0.00 C ATOM 69 O PRO A 8 -6.451 17.684 -5.687 1.00 0.00 O ATOM 70 CB PRO A 8 -3.713 17.893 -3.416 1.00 0.00 C ATOM 71 CG PRO A 8 -4.242 16.922 -2.374 1.00 0.00 C ATOM 72 CD PRO A 8 -5.706 17.250 -2.132 1.00 0.00 C ATOM 0 HA PRO A 8 -4.758 19.607 -4.216 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.124 17.373 -4.171 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.061 18.638 -2.960 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.133 15.894 -2.720 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.673 17.008 -1.448 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.339 16.378 -2.296 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.874 17.578 -1.106 1.00 0.00 H new ATOM 80 N HIS A 9 -4.262 17.834 -6.237 1.00 0.00 N ATOM 81 CA HIS A 9 -4.448 17.303 -7.577 1.00 0.00 C ATOM 82 C HIS A 9 -3.091 17.176 -8.272 1.00 0.00 C ATOM 83 O HIS A 9 -2.330 18.140 -8.335 1.00 0.00 O ATOM 84 CB HIS A 9 -5.441 18.157 -8.367 1.00 0.00 C ATOM 85 CG HIS A 9 -5.215 19.644 -8.233 1.00 0.00 C ATOM 86 ND1 HIS A 9 -6.091 20.477 -7.558 1.00 0.00 N ATOM 87 CD2 HIS A 9 -4.205 20.437 -8.692 1.00 0.00 C ATOM 88 CE1 HIS A 9 -5.619 21.714 -7.616 1.00 0.00 C ATOM 89 NE2 HIS A 9 -4.450 21.687 -8.319 1.00 0.00 N ATOM 0 H HIS A 9 -3.299 18.077 -6.004 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.882 16.305 -7.519 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -5.381 17.884 -9.421 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.452 17.922 -8.034 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -3.350 20.104 -9.262 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -6.079 22.590 -7.183 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -3.861 22.494 -8.524 1.00 0.00 H new ATOM 97 N GLY A 10 -2.829 15.979 -8.775 1.00 0.00 N ATOM 98 CA GLY A 10 -1.577 15.713 -9.463 1.00 0.00 C ATOM 99 C GLY A 10 -1.347 14.209 -9.621 1.00 0.00 C ATOM 100 O GLY A 10 -2.101 13.532 -10.318 1.00 0.00 O ATOM 0 H GLY A 10 -3.463 15.182 -8.720 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.589 16.188 -10.444 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.751 16.154 -8.906 1.00 0.00 H new ATOM 104 N THR A 11 -0.301 13.730 -8.963 1.00 0.00 N ATOM 105 CA THR A 11 0.038 12.319 -9.022 1.00 0.00 C ATOM 106 C THR A 11 0.510 11.826 -7.652 1.00 0.00 C ATOM 107 O THR A 11 0.940 12.620 -6.817 1.00 0.00 O ATOM 108 CB THR A 11 1.078 12.128 -10.128 1.00 0.00 C ATOM 109 OG1 THR A 11 0.354 12.372 -11.331 1.00 0.00 O ATOM 110 CG2 THR A 11 1.536 10.674 -10.256 1.00 0.00 C ATOM 0 H THR A 11 0.323 14.295 -8.386 1.00 0.00 H new ATOM 0 HA THR A 11 -0.834 11.713 -9.268 1.00 0.00 H new ATOM 0 HB THR A 11 1.941 12.764 -9.929 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.953 12.271 -12.100 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.273 10.594 -11.055 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.982 10.349 -9.316 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.679 10.042 -10.489 1.00 0.00 H new ATOM 118 N LEU A 12 0.413 10.518 -7.464 1.00 0.00 N ATOM 119 CA LEU A 12 0.825 9.910 -6.210 1.00 0.00 C ATOM 120 C LEU A 12 1.860 8.820 -6.493 1.00 0.00 C ATOM 121 O LEU A 12 1.779 8.130 -7.509 1.00 0.00 O ATOM 122 CB LEU A 12 -0.394 9.414 -5.430 1.00 0.00 C ATOM 123 CG LEU A 12 -0.097 8.588 -4.176 1.00 0.00 C ATOM 124 CD1 LEU A 12 -0.017 9.482 -2.937 1.00 0.00 C ATOM 125 CD2 LEU A 12 -1.119 7.462 -4.006 1.00 0.00 C ATOM 0 H LEU A 12 0.055 9.862 -8.159 1.00 0.00 H new ATOM 0 HA LEU A 12 1.306 10.648 -5.568 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.991 10.278 -5.139 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.009 8.813 -6.100 1.00 0.00 H new ATOM 0 HG LEU A 12 0.880 8.120 -4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.195 8.870 -2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.778 10.216 -3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.967 9.998 -2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.885 6.891 -3.108 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.118 7.888 -3.915 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.083 6.804 -4.874 1.00 0.00 H new ATOM 137 N GLU A 13 2.809 8.697 -5.577 1.00 0.00 N ATOM 138 CA GLU A 13 3.859 7.702 -5.715 1.00 0.00 C ATOM 139 C GLU A 13 3.849 6.750 -4.518 1.00 0.00 C ATOM 140 O GLU A 13 4.034 7.177 -3.379 1.00 0.00 O ATOM 141 CB GLU A 13 5.228 8.368 -5.875 1.00 0.00 C ATOM 142 CG GLU A 13 6.146 7.526 -6.763 1.00 0.00 C ATOM 143 CD GLU A 13 7.593 7.585 -6.268 1.00 0.00 C ATOM 144 OE1 GLU A 13 7.777 7.452 -5.038 1.00 0.00 O ATOM 145 OE2 GLU A 13 8.481 7.761 -7.129 1.00 0.00 O ATOM 0 H GLU A 13 2.873 9.270 -4.736 1.00 0.00 H new ATOM 0 HA GLU A 13 3.666 7.122 -6.617 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.105 9.360 -6.310 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.687 8.504 -4.896 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.802 6.492 -6.770 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.094 7.886 -7.790 1.00 0.00 H new ATOM 152 N VAL A 14 3.631 5.478 -4.816 1.00 0.00 N ATOM 153 CA VAL A 14 3.594 4.461 -3.778 1.00 0.00 C ATOM 154 C VAL A 14 4.819 3.554 -3.915 1.00 0.00 C ATOM 155 O VAL A 14 4.954 2.833 -4.902 1.00 0.00 O ATOM 156 CB VAL A 14 2.272 3.695 -3.843 1.00 0.00 C ATOM 157 CG1 VAL A 14 2.216 2.606 -2.769 1.00 0.00 C ATOM 158 CG2 VAL A 14 1.080 4.647 -3.721 1.00 0.00 C ATOM 0 H VAL A 14 3.478 5.128 -5.762 1.00 0.00 H new ATOM 0 HA VAL A 14 3.639 4.921 -2.791 1.00 0.00 H new ATOM 0 HB VAL A 14 2.214 3.209 -4.817 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.266 2.076 -2.837 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.035 1.903 -2.921 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.307 3.062 -1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.152 4.077 -3.770 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.132 5.174 -2.769 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.106 5.369 -4.537 1.00 0.00 H new ATOM 168 N VAL A 15 5.680 3.620 -2.910 1.00 0.00 N ATOM 169 CA VAL A 15 6.888 2.813 -2.907 1.00 0.00 C ATOM 170 C VAL A 15 6.727 1.666 -1.907 1.00 0.00 C ATOM 171 O VAL A 15 6.965 1.840 -0.713 1.00 0.00 O ATOM 172 CB VAL A 15 8.105 3.694 -2.614 1.00 0.00 C ATOM 173 CG1 VAL A 15 9.399 2.881 -2.681 1.00 0.00 C ATOM 174 CG2 VAL A 15 8.158 4.890 -3.568 1.00 0.00 C ATOM 0 H VAL A 15 5.565 4.219 -2.093 1.00 0.00 H new ATOM 0 HA VAL A 15 7.053 2.369 -3.889 1.00 0.00 H new ATOM 0 HB VAL A 15 8.004 4.079 -1.599 1.00 0.00 H new ATOM 0 HG11 VAL A 15 10.248 3.531 -2.469 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.363 2.079 -1.944 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.509 2.454 -3.678 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.032 5.500 -3.339 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.224 4.533 -4.596 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.256 5.490 -3.450 1.00 0.00 H new ATOM 184 N LEU A 16 6.324 0.518 -2.432 1.00 0.00 N ATOM 185 CA LEU A 16 6.129 -0.657 -1.601 1.00 0.00 C ATOM 186 C LEU A 16 7.492 -1.215 -1.185 1.00 0.00 C ATOM 187 O LEU A 16 8.065 -2.048 -1.885 1.00 0.00 O ATOM 188 CB LEU A 16 5.239 -1.677 -2.316 1.00 0.00 C ATOM 189 CG LEU A 16 5.164 -3.065 -1.678 1.00 0.00 C ATOM 190 CD1 LEU A 16 4.339 -3.033 -0.390 1.00 0.00 C ATOM 191 CD2 LEU A 16 4.633 -4.098 -2.673 1.00 0.00 C ATOM 0 H LEU A 16 6.127 0.377 -3.423 1.00 0.00 H new ATOM 0 HA LEU A 16 5.600 -0.392 -0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.229 -1.271 -2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.598 -1.788 -3.339 1.00 0.00 H new ATOM 0 HG LEU A 16 6.174 -3.370 -1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.302 -4.033 0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.800 -2.347 0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.327 -2.697 -0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.590 -5.076 -2.194 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.634 -3.809 -2.999 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.297 -4.146 -3.536 1.00 0.00 H new ATOM 203 N VAL A 17 7.970 -0.733 -0.048 1.00 0.00 N ATOM 204 CA VAL A 17 9.255 -1.173 0.470 1.00 0.00 C ATOM 205 C VAL A 17 9.166 -2.652 0.853 1.00 0.00 C ATOM 206 O VAL A 17 9.491 -3.525 0.051 1.00 0.00 O ATOM 207 CB VAL A 17 9.684 -0.278 1.634 1.00 0.00 C ATOM 208 CG1 VAL A 17 10.875 -0.883 2.380 1.00 0.00 C ATOM 209 CG2 VAL A 17 10.003 1.137 1.149 1.00 0.00 C ATOM 0 H VAL A 17 7.491 -0.042 0.530 1.00 0.00 H new ATOM 0 HA VAL A 17 10.027 -1.081 -0.294 1.00 0.00 H new ATOM 0 HB VAL A 17 8.849 -0.213 2.332 1.00 0.00 H new ATOM 0 HG11 VAL A 17 11.160 -0.227 3.203 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.599 -1.861 2.774 1.00 0.00 H new ATOM 0 HG13 VAL A 17 11.716 -0.992 1.695 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.305 1.753 1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.814 1.098 0.421 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.118 1.570 0.683 1.00 0.00 H new ATOM 219 N SER A 18 8.724 -2.886 2.080 1.00 0.00 N ATOM 220 CA SER A 18 8.588 -4.244 2.579 1.00 0.00 C ATOM 221 C SER A 18 7.458 -4.312 3.609 1.00 0.00 C ATOM 222 O SER A 18 6.701 -3.356 3.769 1.00 0.00 O ATOM 223 CB SER A 18 9.898 -4.738 3.196 1.00 0.00 C ATOM 224 OG SER A 18 9.998 -4.402 4.577 1.00 0.00 O ATOM 0 H SER A 18 8.456 -2.159 2.743 1.00 0.00 H new ATOM 0 HA SER A 18 8.345 -4.894 1.739 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.968 -5.820 3.080 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.739 -4.304 2.656 1.00 0.00 H new ATOM 0 HG SER A 18 10.847 -4.736 4.934 1.00 0.00 H new ATOM 230 N ALA A 19 7.381 -5.452 4.281 1.00 0.00 N ATOM 231 CA ALA A 19 6.356 -5.657 5.290 1.00 0.00 C ATOM 232 C ALA A 19 6.834 -6.715 6.287 1.00 0.00 C ATOM 233 O ALA A 19 7.395 -7.736 5.893 1.00 0.00 O ATOM 234 CB ALA A 19 5.041 -6.047 4.612 1.00 0.00 C ATOM 0 H ALA A 19 8.011 -6.242 4.146 1.00 0.00 H new ATOM 0 HA ALA A 19 6.175 -4.737 5.846 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.273 -6.201 5.370 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.730 -5.251 3.936 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.182 -6.968 4.047 1.00 0.00 H new ATOM 240 N LYS A 20 6.594 -6.434 7.560 1.00 0.00 N ATOM 241 CA LYS A 20 6.992 -7.348 8.616 1.00 0.00 C ATOM 242 C LYS A 20 5.761 -7.743 9.434 1.00 0.00 C ATOM 243 O LYS A 20 4.815 -6.966 9.552 1.00 0.00 O ATOM 244 CB LYS A 20 8.118 -6.740 9.454 1.00 0.00 C ATOM 245 CG LYS A 20 9.397 -6.591 8.628 1.00 0.00 C ATOM 246 CD LYS A 20 9.888 -5.142 8.634 1.00 0.00 C ATOM 247 CE LYS A 20 11.344 -5.054 8.171 1.00 0.00 C ATOM 248 NZ LYS A 20 12.250 -4.921 9.334 1.00 0.00 N ATOM 0 H LYS A 20 6.129 -5.586 7.883 1.00 0.00 H new ATOM 0 HA LYS A 20 7.401 -8.265 8.192 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.809 -5.765 9.832 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.312 -7.371 10.321 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.172 -7.243 9.031 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.212 -6.912 7.603 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.258 -4.538 7.981 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.796 -4.727 9.638 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.605 -5.945 7.599 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.469 -4.200 7.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.234 -4.863 9.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.011 -4.058 9.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.142 -5.749 9.954 1.00 0.00 H new ATOM 262 N GLY A 21 5.814 -8.950 9.978 1.00 0.00 N ATOM 263 CA GLY A 21 4.714 -9.457 10.782 1.00 0.00 C ATOM 264 C GLY A 21 4.995 -9.270 12.274 1.00 0.00 C ATOM 265 O GLY A 21 5.988 -8.650 12.650 1.00 0.00 O ATOM 0 H GLY A 21 6.601 -9.591 9.878 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.793 -8.939 10.514 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.559 -10.514 10.567 1.00 0.00 H new ATOM 269 N LEU A 22 4.101 -9.818 13.085 1.00 0.00 N ATOM 270 CA LEU A 22 4.240 -9.720 14.528 1.00 0.00 C ATOM 271 C LEU A 22 5.480 -10.498 14.971 1.00 0.00 C ATOM 272 O LEU A 22 6.271 -10.939 14.139 1.00 0.00 O ATOM 273 CB LEU A 22 2.952 -10.167 15.222 1.00 0.00 C ATOM 274 CG LEU A 22 1.763 -9.210 15.113 1.00 0.00 C ATOM 275 CD1 LEU A 22 2.083 -7.863 15.766 1.00 0.00 C ATOM 276 CD2 LEU A 22 1.319 -9.050 13.658 1.00 0.00 C ATOM 0 H LEU A 22 3.278 -10.331 12.770 1.00 0.00 H new ATOM 0 HA LEU A 22 4.392 -8.683 14.826 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.656 -11.131 14.808 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.169 -10.326 16.278 1.00 0.00 H new ATOM 0 HG LEU A 22 0.925 -9.643 15.659 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.222 -7.201 15.675 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.314 -8.015 16.820 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.942 -7.412 15.268 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.473 -8.365 13.609 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.144 -8.651 13.068 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.024 -10.020 13.259 1.00 0.00 H new ATOM 288 N GLU A 23 5.610 -10.644 16.282 1.00 0.00 N ATOM 289 CA GLU A 23 6.741 -11.362 16.846 1.00 0.00 C ATOM 290 C GLU A 23 6.451 -12.864 16.882 1.00 0.00 C ATOM 291 O GLU A 23 7.349 -13.678 16.670 1.00 0.00 O ATOM 292 CB GLU A 23 7.083 -10.836 18.241 1.00 0.00 C ATOM 293 CG GLU A 23 6.534 -9.423 18.444 1.00 0.00 C ATOM 294 CD GLU A 23 7.282 -8.700 19.566 1.00 0.00 C ATOM 295 OE1 GLU A 23 7.397 -9.305 20.654 1.00 0.00 O ATOM 296 OE2 GLU A 23 7.722 -7.558 19.311 1.00 0.00 O ATOM 0 H GLU A 23 4.951 -10.278 16.969 1.00 0.00 H new ATOM 0 HA GLU A 23 7.608 -11.194 16.208 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.668 -11.503 18.997 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.164 -10.833 18.377 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.626 -8.857 17.517 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.472 -9.473 18.683 1.00 0.00 H new ATOM 303 N ASP A 24 5.195 -13.186 17.151 1.00 0.00 N ATOM 304 CA ASP A 24 4.776 -14.576 17.217 1.00 0.00 C ATOM 305 C ASP A 24 3.460 -14.744 16.455 1.00 0.00 C ATOM 306 O ASP A 24 2.447 -15.130 17.036 1.00 0.00 O ATOM 307 CB ASP A 24 4.542 -15.012 18.665 1.00 0.00 C ATOM 308 CG ASP A 24 4.640 -16.519 18.910 1.00 0.00 C ATOM 309 OD1 ASP A 24 5.746 -17.059 18.692 1.00 0.00 O ATOM 310 OD2 ASP A 24 3.607 -17.098 19.309 1.00 0.00 O ATOM 0 H ASP A 24 4.453 -12.508 17.326 1.00 0.00 H new ATOM 0 HA ASP A 24 5.565 -15.187 16.779 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.268 -14.507 19.302 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.554 -14.672 18.976 1.00 0.00 H new ATOM 315 N ALA A 25 3.518 -14.447 15.165 1.00 0.00 N ATOM 316 CA ALA A 25 2.344 -14.560 14.317 1.00 0.00 C ATOM 317 C ALA A 25 2.776 -14.963 12.906 1.00 0.00 C ATOM 318 O ALA A 25 3.606 -14.294 12.292 1.00 0.00 O ATOM 319 CB ALA A 25 1.571 -13.240 14.336 1.00 0.00 C ATOM 0 H ALA A 25 4.360 -14.128 14.686 1.00 0.00 H new ATOM 0 HA ALA A 25 1.674 -15.335 14.690 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.690 -13.325 13.700 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.261 -13.014 15.356 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.210 -12.439 13.966 1.00 0.00 H new ATOM 325 N ASP A 26 2.194 -16.055 12.432 1.00 0.00 N ATOM 326 CA ASP A 26 2.508 -16.555 11.105 1.00 0.00 C ATOM 327 C ASP A 26 1.854 -15.654 10.057 1.00 0.00 C ATOM 328 O ASP A 26 0.642 -15.712 9.851 1.00 0.00 O ATOM 329 CB ASP A 26 1.971 -17.975 10.909 1.00 0.00 C ATOM 330 CG ASP A 26 1.728 -18.379 9.454 1.00 0.00 C ATOM 331 OD1 ASP A 26 0.680 -17.960 8.916 1.00 0.00 O ATOM 332 OD2 ASP A 26 2.595 -19.098 8.912 1.00 0.00 O ATOM 0 H ASP A 26 1.506 -16.608 12.944 1.00 0.00 H new ATOM 0 HA ASP A 26 3.592 -16.561 10.996 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.676 -18.678 11.353 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.035 -18.072 11.459 1.00 0.00 H new ATOM 337 N PHE A 27 2.684 -14.840 9.421 1.00 0.00 N ATOM 338 CA PHE A 27 2.202 -13.927 8.399 1.00 0.00 C ATOM 339 C PHE A 27 3.219 -13.786 7.265 1.00 0.00 C ATOM 340 O PHE A 27 4.285 -13.202 7.451 1.00 0.00 O ATOM 341 CB PHE A 27 2.011 -12.565 9.069 1.00 0.00 C ATOM 342 CG PHE A 27 1.405 -11.500 8.153 1.00 0.00 C ATOM 343 CD1 PHE A 27 0.502 -11.855 7.201 1.00 0.00 C ATOM 344 CD2 PHE A 27 1.771 -10.197 8.291 1.00 0.00 C ATOM 345 CE1 PHE A 27 -0.060 -10.867 6.351 1.00 0.00 C ATOM 346 CE2 PHE A 27 1.209 -9.208 7.441 1.00 0.00 C ATOM 347 CZ PHE A 27 0.305 -9.564 6.489 1.00 0.00 C ATOM 0 H PHE A 27 3.688 -14.794 9.594 1.00 0.00 H new ATOM 0 HA PHE A 27 1.273 -14.304 7.972 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.369 -12.688 9.941 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.976 -12.211 9.431 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.212 -12.890 7.091 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.489 -9.915 9.047 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.777 -11.150 5.595 1.00 0.00 H new ATOM 0 HE2 PHE A 27 1.499 -8.173 7.550 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.123 -8.812 5.843 1.00 0.00 H new ATOM 357 N LEU A 28 2.853 -14.332 6.114 1.00 0.00 N ATOM 358 CA LEU A 28 3.721 -14.274 4.949 1.00 0.00 C ATOM 359 C LEU A 28 4.932 -15.180 5.176 1.00 0.00 C ATOM 360 O LEU A 28 6.074 -14.745 5.028 1.00 0.00 O ATOM 361 CB LEU A 28 4.089 -12.824 4.627 1.00 0.00 C ATOM 362 CG LEU A 28 2.999 -11.782 4.887 1.00 0.00 C ATOM 363 CD1 LEU A 28 3.609 -10.399 5.123 1.00 0.00 C ATOM 364 CD2 LEU A 28 1.971 -11.769 3.754 1.00 0.00 C ATOM 0 H LEU A 28 1.968 -14.816 5.963 1.00 0.00 H new ATOM 0 HA LEU A 28 3.202 -14.650 4.067 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.968 -12.555 5.212 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.375 -12.767 3.577 1.00 0.00 H new ATOM 0 HG LEU A 28 2.470 -12.061 5.798 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.813 -9.677 5.305 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.271 -10.436 5.988 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.178 -10.098 4.244 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.208 -11.020 3.964 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.468 -11.527 2.814 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.504 -12.751 3.675 1.00 0.00 H new ATOM 376 N ASN A 29 4.643 -16.423 5.532 1.00 0.00 N ATOM 377 CA ASN A 29 5.695 -17.394 5.781 1.00 0.00 C ATOM 378 C ASN A 29 5.383 -18.684 5.021 1.00 0.00 C ATOM 379 O ASN A 29 4.299 -19.247 5.165 1.00 0.00 O ATOM 380 CB ASN A 29 5.790 -17.734 7.270 1.00 0.00 C ATOM 381 CG ASN A 29 6.855 -18.804 7.521 1.00 0.00 C ATOM 382 OD1 ASN A 29 6.571 -19.909 7.955 1.00 0.00 O ATOM 383 ND2 ASN A 29 8.092 -18.416 7.226 1.00 0.00 N ATOM 0 H ASN A 29 3.695 -16.780 5.654 1.00 0.00 H new ATOM 0 HA ASN A 29 6.639 -16.961 5.449 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.032 -16.835 7.837 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.823 -18.087 7.629 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.873 -19.058 7.359 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.260 -17.476 6.866 1.00 0.00 H new ATOM 390 N ASN A 30 6.352 -19.115 4.226 1.00 0.00 N ATOM 391 CA ASN A 30 6.193 -20.328 3.443 1.00 0.00 C ATOM 392 C ASN A 30 5.165 -20.085 2.336 1.00 0.00 C ATOM 393 O ASN A 30 4.394 -20.980 1.993 1.00 0.00 O ATOM 394 CB ASN A 30 5.690 -21.483 4.311 1.00 0.00 C ATOM 395 CG ASN A 30 6.040 -22.834 3.684 1.00 0.00 C ATOM 396 OD1 ASN A 30 7.190 -23.234 3.611 1.00 0.00 O ATOM 397 ND2 ASN A 30 4.987 -23.512 3.237 1.00 0.00 N ATOM 0 H ASN A 30 7.250 -18.645 4.108 1.00 0.00 H new ATOM 0 HA ASN A 30 7.165 -20.589 3.025 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.132 -21.414 5.305 1.00 0.00 H new ATOM 0 HB3 ASN A 30 4.610 -21.405 4.436 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.116 -24.425 2.801 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.050 -23.119 3.330 1.00 0.00 H new ATOM 404 N MET A 31 5.188 -18.870 1.808 1.00 0.00 N ATOM 405 CA MET A 31 4.267 -18.498 0.748 1.00 0.00 C ATOM 406 C MET A 31 4.848 -17.374 -0.114 1.00 0.00 C ATOM 407 O MET A 31 5.960 -16.910 0.133 1.00 0.00 O ATOM 408 CB MET A 31 2.941 -18.040 1.359 1.00 0.00 C ATOM 409 CG MET A 31 3.180 -17.145 2.577 1.00 0.00 C ATOM 410 SD MET A 31 1.630 -16.796 3.391 1.00 0.00 S ATOM 411 CE MET A 31 1.069 -15.415 2.409 1.00 0.00 C ATOM 0 H MET A 31 5.830 -18.131 2.095 1.00 0.00 H new ATOM 0 HA MET A 31 4.102 -19.369 0.114 1.00 0.00 H new ATOM 0 HB2 MET A 31 2.360 -17.498 0.613 1.00 0.00 H new ATOM 0 HB3 MET A 31 2.352 -18.909 1.652 1.00 0.00 H new ATOM 0 HG2 MET A 31 3.862 -17.636 3.271 1.00 0.00 H new ATOM 0 HG3 MET A 31 3.655 -16.214 2.267 1.00 0.00 H new ATOM 0 HE1 MET A 31 1.082 -14.509 3.015 1.00 0.00 H new ATOM 0 HE2 MET A 31 1.728 -15.287 1.551 1.00 0.00 H new ATOM 0 HE3 MET A 31 0.053 -15.604 2.061 1.00 0.00 H new ATOM 421 N ASP A 32 4.068 -16.970 -1.106 1.00 0.00 N ATOM 422 CA ASP A 32 4.491 -15.909 -2.005 1.00 0.00 C ATOM 423 C ASP A 32 3.388 -14.853 -2.094 1.00 0.00 C ATOM 424 O ASP A 32 2.702 -14.751 -3.110 1.00 0.00 O ATOM 425 CB ASP A 32 4.744 -16.450 -3.414 1.00 0.00 C ATOM 426 CG ASP A 32 5.808 -17.546 -3.505 1.00 0.00 C ATOM 427 OD1 ASP A 32 6.159 -18.086 -2.434 1.00 0.00 O ATOM 428 OD2 ASP A 32 6.246 -17.818 -4.643 1.00 0.00 O ATOM 0 H ASP A 32 3.146 -17.358 -1.307 1.00 0.00 H new ATOM 0 HA ASP A 32 5.413 -15.481 -1.612 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.807 -16.841 -3.811 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.041 -15.622 -4.057 1.00 0.00 H new ATOM 433 N PRO A 33 3.249 -14.072 -0.989 1.00 0.00 N ATOM 434 CA PRO A 33 2.241 -13.027 -0.934 1.00 0.00 C ATOM 435 C PRO A 33 2.657 -11.819 -1.777 1.00 0.00 C ATOM 436 O PRO A 33 3.844 -11.605 -2.018 1.00 0.00 O ATOM 437 CB PRO A 33 2.096 -12.698 0.543 1.00 0.00 C ATOM 438 CG PRO A 33 3.350 -13.235 1.215 1.00 0.00 C ATOM 439 CD PRO A 33 4.044 -14.164 0.232 1.00 0.00 C ATOM 0 HA PRO A 33 1.286 -13.341 -1.354 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.001 -11.623 0.696 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.201 -13.160 0.960 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.011 -12.416 1.499 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.094 -13.770 2.130 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.075 -13.857 0.057 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.075 -15.187 0.608 1.00 0.00 H new ATOM 447 N TYR A 34 1.656 -11.062 -2.201 1.00 0.00 N ATOM 448 CA TYR A 34 1.903 -9.882 -3.012 1.00 0.00 C ATOM 449 C TYR A 34 0.965 -8.739 -2.616 1.00 0.00 C ATOM 450 O TYR A 34 -0.171 -8.976 -2.209 1.00 0.00 O ATOM 451 CB TYR A 34 1.606 -10.292 -4.456 1.00 0.00 C ATOM 452 CG TYR A 34 0.142 -10.656 -4.711 1.00 0.00 C ATOM 453 CD1 TYR A 34 -0.311 -11.930 -4.432 1.00 0.00 C ATOM 454 CD2 TYR A 34 -0.726 -9.712 -5.219 1.00 0.00 C ATOM 455 CE1 TYR A 34 -1.689 -12.273 -4.672 1.00 0.00 C ATOM 456 CE2 TYR A 34 -2.103 -10.054 -5.459 1.00 0.00 C ATOM 457 CZ TYR A 34 -2.517 -11.318 -5.174 1.00 0.00 C ATOM 458 OH TYR A 34 -3.818 -11.642 -5.400 1.00 0.00 O ATOM 0 H TYR A 34 0.673 -11.243 -1.998 1.00 0.00 H new ATOM 0 HA TYR A 34 2.927 -9.533 -2.879 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.887 -9.475 -5.120 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.233 -11.145 -4.717 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.368 -12.669 -4.034 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.372 -8.715 -5.437 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.056 -13.266 -4.458 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.792 -9.324 -5.856 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.905 -12.615 -5.473 1.00 0.00 H new ATOM 468 N VAL A 35 1.476 -7.524 -2.750 1.00 0.00 N ATOM 469 CA VAL A 35 0.699 -6.344 -2.411 1.00 0.00 C ATOM 470 C VAL A 35 -0.028 -5.842 -3.660 1.00 0.00 C ATOM 471 O VAL A 35 0.504 -5.922 -4.767 1.00 0.00 O ATOM 472 CB VAL A 35 1.604 -5.284 -1.779 1.00 0.00 C ATOM 473 CG1 VAL A 35 0.797 -4.055 -1.358 1.00 0.00 C ATOM 474 CG2 VAL A 35 2.381 -5.863 -0.595 1.00 0.00 C ATOM 0 H VAL A 35 2.419 -7.331 -3.089 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.061 -6.587 -1.668 1.00 0.00 H new ATOM 0 HB VAL A 35 2.327 -4.968 -2.531 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.464 -3.317 -0.912 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.310 -3.623 -2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.041 -4.348 -0.630 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.017 -5.090 -0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.681 -6.220 0.160 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.000 -6.692 -0.937 1.00 0.00 H new ATOM 484 N GLN A 36 -1.232 -5.334 -3.442 1.00 0.00 N ATOM 485 CA GLN A 36 -2.037 -4.818 -4.536 1.00 0.00 C ATOM 486 C GLN A 36 -2.570 -3.426 -4.193 1.00 0.00 C ATOM 487 O GLN A 36 -3.582 -3.297 -3.506 1.00 0.00 O ATOM 488 CB GLN A 36 -3.181 -5.776 -4.873 1.00 0.00 C ATOM 489 CG GLN A 36 -4.222 -5.095 -5.765 1.00 0.00 C ATOM 490 CD GLN A 36 -5.430 -6.005 -5.991 1.00 0.00 C ATOM 491 OE1 GLN A 36 -5.320 -7.217 -6.078 1.00 0.00 O ATOM 492 NE2 GLN A 36 -6.587 -5.356 -6.082 1.00 0.00 N ATOM 0 H GLN A 36 -1.670 -5.269 -2.523 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.404 -4.735 -5.419 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -2.785 -6.657 -5.378 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -3.654 -6.121 -3.954 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.546 -4.162 -5.304 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -3.772 -4.837 -6.724 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.609 -4.340 -6.000 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.452 -5.875 -6.234 1.00 0.00 H new ATOM 501 N LEU A 37 -1.865 -2.419 -4.687 1.00 0.00 N ATOM 502 CA LEU A 37 -2.255 -1.041 -4.442 1.00 0.00 C ATOM 503 C LEU A 37 -3.601 -0.768 -5.116 1.00 0.00 C ATOM 504 O LEU A 37 -3.930 -1.388 -6.126 1.00 0.00 O ATOM 505 CB LEU A 37 -1.143 -0.084 -4.877 1.00 0.00 C ATOM 506 CG LEU A 37 0.116 -0.079 -4.009 1.00 0.00 C ATOM 507 CD1 LEU A 37 -0.141 -0.767 -2.667 1.00 0.00 C ATOM 508 CD2 LEU A 37 1.299 -0.701 -4.755 1.00 0.00 C ATOM 0 H LEU A 37 -1.026 -2.530 -5.256 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.393 -0.868 -3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.855 -0.334 -5.898 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.549 0.927 -4.899 1.00 0.00 H new ATOM 0 HG LEU A 37 0.379 0.957 -3.795 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.770 -0.750 -2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.934 -0.242 -2.135 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.442 -1.800 -2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.182 -0.685 -4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.061 -1.731 -5.020 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.498 -0.130 -5.662 1.00 0.00 H new ATOM 520 N THR A 38 -4.343 0.160 -4.530 1.00 0.00 N ATOM 521 CA THR A 38 -5.645 0.523 -5.062 1.00 0.00 C ATOM 522 C THR A 38 -5.949 1.994 -4.773 1.00 0.00 C ATOM 523 O THR A 38 -5.898 2.428 -3.624 1.00 0.00 O ATOM 524 CB THR A 38 -6.680 -0.438 -4.473 1.00 0.00 C ATOM 525 OG1 THR A 38 -6.076 -1.722 -4.603 1.00 0.00 O ATOM 526 CG2 THR A 38 -7.945 -0.533 -5.329 1.00 0.00 C ATOM 0 H THR A 38 -4.067 0.671 -3.692 1.00 0.00 H new ATOM 0 HA THR A 38 -5.670 0.426 -6.147 1.00 0.00 H new ATOM 0 HB THR A 38 -6.946 -0.112 -3.467 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.551 -1.920 -3.799 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.646 -1.228 -4.866 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.407 0.451 -5.406 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.684 -0.890 -6.325 1.00 0.00 H new ATOM 534 N CYS A 39 -6.257 2.721 -5.837 1.00 0.00 N ATOM 535 CA CYS A 39 -6.569 4.135 -5.713 1.00 0.00 C ATOM 536 C CYS A 39 -7.692 4.468 -6.697 1.00 0.00 C ATOM 537 O CYS A 39 -7.431 4.896 -7.820 1.00 0.00 O ATOM 538 CB CYS A 39 -5.333 5.009 -5.940 1.00 0.00 C ATOM 539 SG CYS A 39 -4.775 5.729 -4.353 1.00 0.00 S ATOM 0 H CYS A 39 -6.297 2.357 -6.789 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.903 4.348 -4.697 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.533 4.414 -6.380 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.565 5.805 -6.648 1.00 0.00 H new ATOM 0 HG CYS A 39 -3.724 6.467 -4.557 1.00 0.00 H new ATOM 545 N ARG A 40 -8.917 4.260 -6.239 1.00 0.00 N ATOM 546 CA ARG A 40 -10.081 4.533 -7.065 1.00 0.00 C ATOM 547 C ARG A 40 -9.993 3.756 -8.380 1.00 0.00 C ATOM 548 O ARG A 40 -9.095 3.995 -9.187 1.00 0.00 O ATOM 549 CB ARG A 40 -10.202 6.027 -7.370 1.00 0.00 C ATOM 550 CG ARG A 40 -11.213 6.697 -6.437 1.00 0.00 C ATOM 551 CD ARG A 40 -10.901 6.382 -4.973 1.00 0.00 C ATOM 552 NE ARG A 40 -12.121 6.541 -4.150 1.00 0.00 N ATOM 553 CZ ARG A 40 -12.196 6.225 -2.850 1.00 0.00 C ATOM 554 NH1 ARG A 40 -11.124 5.731 -2.217 1.00 0.00 N ATOM 555 NH2 ARG A 40 -13.345 6.404 -2.183 1.00 0.00 N ATOM 0 H ARG A 40 -9.129 3.906 -5.306 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.963 4.215 -6.510 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.228 6.504 -7.260 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.510 6.166 -8.406 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.197 7.776 -6.592 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.219 6.355 -6.680 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.523 5.364 -4.884 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.117 7.046 -4.609 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.957 6.914 -4.600 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.250 5.595 -2.725 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.182 5.491 -1.227 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -14.161 6.780 -2.665 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.403 6.164 -1.193 1.00 0.00 H new ATOM 569 N THR A 41 -10.936 2.842 -8.555 1.00 0.00 N ATOM 570 CA THR A 41 -10.976 2.029 -9.759 1.00 0.00 C ATOM 571 C THR A 41 -9.559 1.772 -10.276 1.00 0.00 C ATOM 572 O THR A 41 -9.319 1.800 -11.482 1.00 0.00 O ATOM 573 CB THR A 41 -11.875 2.734 -10.776 1.00 0.00 C ATOM 574 OG1 THR A 41 -11.163 3.924 -11.103 1.00 0.00 O ATOM 575 CG2 THR A 41 -13.179 3.238 -10.155 1.00 0.00 C ATOM 0 H THR A 41 -11.678 2.646 -7.883 1.00 0.00 H new ATOM 0 HA THR A 41 -11.399 1.045 -9.558 1.00 0.00 H new ATOM 0 HB THR A 41 -12.103 2.050 -11.594 1.00 0.00 H new ATOM 0 HG1 THR A 41 -11.675 4.442 -11.759 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.780 3.730 -10.920 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.735 2.396 -9.743 1.00 0.00 H new ATOM 0 HG23 THR A 41 -12.953 3.948 -9.359 1.00 0.00 H new ATOM 583 N GLN A 42 -8.656 1.527 -9.337 1.00 0.00 N ATOM 584 CA GLN A 42 -7.269 1.265 -9.683 1.00 0.00 C ATOM 585 C GLN A 42 -6.738 0.075 -8.881 1.00 0.00 C ATOM 586 O GLN A 42 -7.114 -0.117 -7.726 1.00 0.00 O ATOM 587 CB GLN A 42 -6.404 2.507 -9.457 1.00 0.00 C ATOM 588 CG GLN A 42 -6.502 3.466 -10.646 1.00 0.00 C ATOM 589 CD GLN A 42 -5.245 4.331 -10.757 1.00 0.00 C ATOM 590 OE1 GLN A 42 -5.161 5.422 -10.217 1.00 0.00 O ATOM 591 NE2 GLN A 42 -4.275 3.785 -11.485 1.00 0.00 N ATOM 0 H GLN A 42 -8.858 1.504 -8.337 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.220 1.016 -10.743 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.722 3.016 -8.547 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.366 2.210 -9.309 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.639 2.898 -11.566 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.378 4.104 -10.532 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.411 2.868 -11.910 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -3.395 4.284 -11.619 1.00 0.00 H new ATOM 600 N ASP A 43 -5.874 -0.694 -9.527 1.00 0.00 N ATOM 601 CA ASP A 43 -5.288 -1.860 -8.890 1.00 0.00 C ATOM 602 C ASP A 43 -3.885 -2.094 -9.454 1.00 0.00 C ATOM 603 O ASP A 43 -3.720 -2.282 -10.659 1.00 0.00 O ATOM 604 CB ASP A 43 -6.121 -3.114 -9.161 1.00 0.00 C ATOM 605 CG ASP A 43 -6.336 -3.440 -10.641 1.00 0.00 C ATOM 606 OD1 ASP A 43 -5.487 -4.175 -11.189 1.00 0.00 O ATOM 607 OD2 ASP A 43 -7.345 -2.946 -11.190 1.00 0.00 O ATOM 0 H ASP A 43 -5.566 -0.532 -10.486 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.254 -1.675 -7.816 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.635 -3.965 -8.684 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.095 -2.995 -8.685 1.00 0.00 H new ATOM 612 N GLN A 44 -2.910 -2.075 -8.557 1.00 0.00 N ATOM 613 CA GLN A 44 -1.527 -2.283 -8.951 1.00 0.00 C ATOM 614 C GLN A 44 -0.854 -3.290 -8.016 1.00 0.00 C ATOM 615 O GLN A 44 -0.787 -3.071 -6.807 1.00 0.00 O ATOM 616 CB GLN A 44 -0.759 -0.959 -8.975 1.00 0.00 C ATOM 617 CG GLN A 44 -0.945 -0.242 -10.313 1.00 0.00 C ATOM 618 CD GLN A 44 -1.614 1.120 -10.117 1.00 0.00 C ATOM 619 OE1 GLN A 44 -2.795 1.302 -10.364 1.00 0.00 O ATOM 620 NE2 GLN A 44 -0.796 2.064 -9.660 1.00 0.00 N ATOM 0 H GLN A 44 -3.050 -1.919 -7.559 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.515 -2.691 -9.962 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -1.106 -0.319 -8.164 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.301 -1.146 -8.803 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.023 -0.109 -10.796 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.552 -0.857 -10.978 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.183 1.844 -9.474 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.147 3.007 -9.496 1.00 0.00 H new ATOM 629 N LYS A 45 -0.373 -4.372 -8.610 1.00 0.00 N ATOM 630 CA LYS A 45 0.292 -5.413 -7.846 1.00 0.00 C ATOM 631 C LYS A 45 1.804 -5.304 -8.051 1.00 0.00 C ATOM 632 O LYS A 45 2.260 -4.765 -9.059 1.00 0.00 O ATOM 633 CB LYS A 45 -0.280 -6.787 -8.202 1.00 0.00 C ATOM 634 CG LYS A 45 -1.643 -7.001 -7.542 1.00 0.00 C ATOM 635 CD LYS A 45 -2.594 -7.751 -8.477 1.00 0.00 C ATOM 636 CE LYS A 45 -1.976 -9.070 -8.945 1.00 0.00 C ATOM 637 NZ LYS A 45 -2.838 -9.715 -9.960 1.00 0.00 N ATOM 0 H LYS A 45 -0.431 -4.550 -9.613 1.00 0.00 H new ATOM 0 HA LYS A 45 0.105 -5.282 -6.780 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.378 -6.875 -9.284 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.410 -7.567 -7.880 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.519 -7.563 -6.617 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.076 -6.037 -7.274 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.535 -7.948 -7.963 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.827 -7.128 -9.340 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.986 -8.886 -9.363 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.843 -9.738 -8.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.404 -10.609 -10.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.774 -9.908 -9.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.943 -9.082 -10.779 1.00 0.00 H new ATOM 651 N SER A 46 2.540 -5.823 -7.080 1.00 0.00 N ATOM 652 CA SER A 46 3.991 -5.791 -7.142 1.00 0.00 C ATOM 653 C SER A 46 4.539 -7.207 -7.334 1.00 0.00 C ATOM 654 O SER A 46 3.778 -8.173 -7.347 1.00 0.00 O ATOM 655 CB SER A 46 4.582 -5.161 -5.879 1.00 0.00 C ATOM 656 OG SER A 46 4.742 -6.113 -4.831 1.00 0.00 O ATOM 0 H SER A 46 2.159 -6.268 -6.245 1.00 0.00 H new ATOM 0 HA SER A 46 4.283 -5.177 -7.994 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.549 -4.716 -6.115 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.933 -4.354 -5.539 1.00 0.00 H new ATOM 0 HG SER A 46 5.667 -6.091 -4.508 1.00 0.00 H new ATOM 662 N ASN A 47 5.853 -7.284 -7.480 1.00 0.00 N ATOM 663 CA ASN A 47 6.511 -8.565 -7.671 1.00 0.00 C ATOM 664 C ASN A 47 6.007 -9.555 -6.619 1.00 0.00 C ATOM 665 O ASN A 47 5.582 -9.153 -5.537 1.00 0.00 O ATOM 666 CB ASN A 47 8.027 -8.436 -7.511 1.00 0.00 C ATOM 667 CG ASN A 47 8.620 -7.546 -8.605 1.00 0.00 C ATOM 668 OD1 ASN A 47 8.160 -7.515 -9.734 1.00 0.00 O ATOM 669 ND2 ASN A 47 9.666 -6.825 -8.208 1.00 0.00 N ATOM 0 H ASN A 47 6.480 -6.480 -7.470 1.00 0.00 H new ATOM 0 HA ASN A 47 6.283 -8.913 -8.679 1.00 0.00 H new ATOM 0 HB2 ASN A 47 8.259 -8.018 -6.532 1.00 0.00 H new ATOM 0 HB3 ASN A 47 8.486 -9.424 -7.552 1.00 0.00 H new ATOM 0 HD21 ASN A 47 10.133 -6.199 -8.864 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.001 -6.898 -7.247 1.00 0.00 H new ATOM 676 N VAL A 48 6.070 -10.830 -6.974 1.00 0.00 N ATOM 677 CA VAL A 48 5.625 -11.880 -6.073 1.00 0.00 C ATOM 678 C VAL A 48 6.780 -12.280 -5.153 1.00 0.00 C ATOM 679 O VAL A 48 7.762 -12.868 -5.602 1.00 0.00 O ATOM 680 CB VAL A 48 5.067 -13.056 -6.877 1.00 0.00 C ATOM 681 CG1 VAL A 48 5.033 -14.331 -6.031 1.00 0.00 C ATOM 682 CG2 VAL A 48 3.680 -12.730 -7.434 1.00 0.00 C ATOM 0 H VAL A 48 6.422 -11.160 -7.873 1.00 0.00 H new ATOM 0 HA VAL A 48 4.814 -11.522 -5.439 1.00 0.00 H new ATOM 0 HB VAL A 48 5.734 -13.232 -7.721 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.632 -15.152 -6.626 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.043 -14.578 -5.705 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.399 -14.172 -5.159 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.306 -13.582 -8.001 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.999 -12.515 -6.611 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.746 -11.860 -8.087 1.00 0.00 H new ATOM 692 N ALA A 49 6.624 -11.943 -3.880 1.00 0.00 N ATOM 693 CA ALA A 49 7.642 -12.260 -2.893 1.00 0.00 C ATOM 694 C ALA A 49 7.864 -13.773 -2.862 1.00 0.00 C ATOM 695 O ALA A 49 7.267 -14.476 -2.047 1.00 0.00 O ATOM 696 CB ALA A 49 7.221 -11.705 -1.530 1.00 0.00 C ATOM 0 H ALA A 49 5.809 -11.454 -3.510 1.00 0.00 H new ATOM 0 HA ALA A 49 8.591 -11.793 -3.157 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.984 -11.942 -0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.105 -10.623 -1.598 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.273 -12.154 -1.231 1.00 0.00 H new ATOM 702 N GLU A 50 8.724 -14.231 -3.760 1.00 0.00 N ATOM 703 CA GLU A 50 9.032 -15.649 -3.846 1.00 0.00 C ATOM 704 C GLU A 50 10.012 -16.047 -2.741 1.00 0.00 C ATOM 705 O GLU A 50 11.121 -15.520 -2.670 1.00 0.00 O ATOM 706 CB GLU A 50 9.587 -16.006 -5.226 1.00 0.00 C ATOM 707 CG GLU A 50 8.495 -15.924 -6.295 1.00 0.00 C ATOM 708 CD GLU A 50 9.105 -15.810 -7.694 1.00 0.00 C ATOM 709 OE1 GLU A 50 10.080 -15.039 -7.827 1.00 0.00 O ATOM 710 OE2 GLU A 50 8.582 -16.496 -8.599 1.00 0.00 O ATOM 0 H GLU A 50 9.217 -13.646 -4.434 1.00 0.00 H new ATOM 0 HA GLU A 50 8.109 -16.211 -3.705 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.402 -15.328 -5.481 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.005 -17.013 -5.204 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.862 -16.809 -6.242 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.856 -15.063 -6.102 1.00 0.00 H new ATOM 717 N GLY A 51 9.567 -16.975 -1.906 1.00 0.00 N ATOM 718 CA GLY A 51 10.391 -17.450 -0.807 1.00 0.00 C ATOM 719 C GLY A 51 11.218 -16.310 -0.209 1.00 0.00 C ATOM 720 O GLY A 51 12.446 -16.324 -0.283 1.00 0.00 O ATOM 0 H GLY A 51 8.647 -17.410 -1.968 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.757 -17.888 -0.036 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.055 -18.239 -1.160 1.00 0.00 H new ATOM 724 N MET A 52 10.512 -15.350 0.370 1.00 0.00 N ATOM 725 CA MET A 52 11.165 -14.204 0.980 1.00 0.00 C ATOM 726 C MET A 52 11.112 -14.292 2.507 1.00 0.00 C ATOM 727 O MET A 52 12.020 -13.823 3.191 1.00 0.00 O ATOM 728 CB MET A 52 10.479 -12.918 0.517 1.00 0.00 C ATOM 729 CG MET A 52 11.502 -11.908 -0.005 1.00 0.00 C ATOM 730 SD MET A 52 12.313 -12.555 -1.457 1.00 0.00 S ATOM 731 CE MET A 52 11.725 -11.399 -2.683 1.00 0.00 C ATOM 0 H MET A 52 9.494 -15.342 0.430 1.00 0.00 H new ATOM 0 HA MET A 52 12.210 -14.198 0.671 1.00 0.00 H new ATOM 0 HB2 MET A 52 9.758 -13.148 -0.267 1.00 0.00 H new ATOM 0 HB3 MET A 52 9.921 -12.481 1.345 1.00 0.00 H new ATOM 0 HG2 MET A 52 11.007 -10.967 -0.244 1.00 0.00 H new ATOM 0 HG3 MET A 52 12.240 -11.693 0.768 1.00 0.00 H new ATOM 0 HE1 MET A 52 11.780 -11.857 -3.671 1.00 0.00 H new ATOM 0 HE2 MET A 52 10.691 -11.131 -2.464 1.00 0.00 H new ATOM 0 HE3 MET A 52 12.344 -10.502 -2.664 1.00 0.00 H new ATOM 741 N GLY A 53 10.038 -14.895 2.995 1.00 0.00 N ATOM 742 CA GLY A 53 9.854 -15.049 4.428 1.00 0.00 C ATOM 743 C GLY A 53 8.766 -14.106 4.946 1.00 0.00 C ATOM 744 O GLY A 53 7.973 -13.580 4.167 1.00 0.00 O ATOM 0 H GLY A 53 9.287 -15.282 2.424 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.584 -16.080 4.655 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.793 -14.844 4.943 1.00 0.00 H new ATOM 748 N THR A 54 8.764 -13.920 6.258 1.00 0.00 N ATOM 749 CA THR A 54 7.787 -13.050 6.889 1.00 0.00 C ATOM 750 C THR A 54 8.143 -11.582 6.644 1.00 0.00 C ATOM 751 O THR A 54 7.439 -10.684 7.102 1.00 0.00 O ATOM 752 CB THR A 54 7.715 -13.417 8.373 1.00 0.00 C ATOM 753 OG1 THR A 54 8.982 -13.022 8.891 1.00 0.00 O ATOM 754 CG2 THR A 54 7.675 -14.930 8.600 1.00 0.00 C ATOM 0 H THR A 54 9.424 -14.357 6.901 1.00 0.00 H new ATOM 0 HA THR A 54 6.796 -13.189 6.456 1.00 0.00 H new ATOM 0 HB THR A 54 6.831 -12.959 8.817 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.021 -13.223 9.849 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.624 -15.136 9.669 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.797 -15.349 8.108 1.00 0.00 H new ATOM 0 HG23 THR A 54 8.575 -15.384 8.185 1.00 0.00 H new ATOM 762 N THR A 55 9.236 -11.385 5.921 1.00 0.00 N ATOM 763 CA THR A 55 9.694 -10.042 5.609 1.00 0.00 C ATOM 764 C THR A 55 9.981 -9.910 4.112 1.00 0.00 C ATOM 765 O THR A 55 11.135 -9.784 3.706 1.00 0.00 O ATOM 766 CB THR A 55 10.909 -9.740 6.489 1.00 0.00 C ATOM 767 OG1 THR A 55 11.696 -10.925 6.413 1.00 0.00 O ATOM 768 CG2 THR A 55 10.545 -9.629 7.971 1.00 0.00 C ATOM 0 H THR A 55 9.817 -12.133 5.543 1.00 0.00 H new ATOM 0 HA THR A 55 8.924 -9.302 5.827 1.00 0.00 H new ATOM 0 HB THR A 55 11.374 -8.811 6.159 1.00 0.00 H new ATOM 0 HG1 THR A 55 12.506 -10.815 6.954 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.442 -9.414 8.551 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.822 -8.825 8.109 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.110 -10.569 8.310 1.00 0.00 H new ATOM 776 N PRO A 56 8.882 -9.945 3.311 1.00 0.00 N ATOM 777 CA PRO A 56 9.004 -9.832 1.867 1.00 0.00 C ATOM 778 C PRO A 56 9.302 -8.389 1.454 1.00 0.00 C ATOM 779 O PRO A 56 8.703 -7.452 1.981 1.00 0.00 O ATOM 780 CB PRO A 56 7.683 -10.346 1.319 1.00 0.00 C ATOM 781 CG PRO A 56 6.701 -10.291 2.478 1.00 0.00 C ATOM 782 CD PRO A 56 7.500 -10.093 3.757 1.00 0.00 C ATOM 0 HA PRO A 56 9.837 -10.411 1.468 1.00 0.00 H new ATOM 0 HB2 PRO A 56 7.340 -9.731 0.487 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.786 -11.364 0.942 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.993 -9.474 2.340 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.120 -11.211 2.530 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.163 -9.211 4.302 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.390 -10.944 4.429 1.00 0.00 H new ATOM 790 N GLU A 57 10.227 -8.255 0.515 1.00 0.00 N ATOM 791 CA GLU A 57 10.612 -6.943 0.025 1.00 0.00 C ATOM 792 C GLU A 57 10.236 -6.796 -1.451 1.00 0.00 C ATOM 793 O GLU A 57 10.388 -7.735 -2.230 1.00 0.00 O ATOM 794 CB GLU A 57 12.107 -6.695 0.237 1.00 0.00 C ATOM 795 CG GLU A 57 12.344 -5.750 1.418 1.00 0.00 C ATOM 796 CD GLU A 57 13.828 -5.693 1.785 1.00 0.00 C ATOM 797 OE1 GLU A 57 14.533 -4.863 1.171 1.00 0.00 O ATOM 798 OE2 GLU A 57 14.224 -6.481 2.671 1.00 0.00 O ATOM 0 H GLU A 57 10.721 -9.034 0.080 1.00 0.00 H new ATOM 0 HA GLU A 57 10.068 -6.190 0.595 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.615 -7.643 0.417 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.540 -6.268 -0.668 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.989 -4.751 1.166 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.765 -6.086 2.279 1.00 0.00 H new ATOM 805 N TRP A 58 9.752 -5.610 -1.790 1.00 0.00 N ATOM 806 CA TRP A 58 9.353 -5.328 -3.158 1.00 0.00 C ATOM 807 C TRP A 58 10.183 -4.144 -3.658 1.00 0.00 C ATOM 808 O TRP A 58 10.691 -4.167 -4.778 1.00 0.00 O ATOM 809 CB TRP A 58 7.846 -5.082 -3.250 1.00 0.00 C ATOM 810 CG TRP A 58 6.993 -6.280 -2.827 1.00 0.00 C ATOM 811 CD1 TRP A 58 6.617 -7.329 -3.570 1.00 0.00 C ATOM 812 CD2 TRP A 58 6.422 -6.510 -1.521 1.00 0.00 C ATOM 813 NE1 TRP A 58 5.848 -8.215 -2.843 1.00 0.00 N ATOM 814 CE2 TRP A 58 5.726 -7.701 -1.558 1.00 0.00 C ATOM 815 CE3 TRP A 58 6.491 -5.737 -0.349 1.00 0.00 C ATOM 816 CZ2 TRP A 58 5.046 -8.226 -0.452 1.00 0.00 C ATOM 817 CZ3 TRP A 58 5.806 -6.275 0.747 1.00 0.00 C ATOM 818 CH2 TRP A 58 5.101 -7.473 0.727 1.00 0.00 C ATOM 0 H TRP A 58 9.627 -4.833 -1.141 1.00 0.00 H new ATOM 0 HA TRP A 58 9.548 -6.186 -3.801 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.589 -4.227 -2.625 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.594 -4.814 -4.276 1.00 0.00 H new ATOM 0 HD1 TRP A 58 6.882 -7.465 -4.608 1.00 0.00 H new ATOM 0 HE1 TRP A 58 5.444 -9.086 -3.186 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.030 -4.802 -0.298 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.508 -9.161 -0.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 5.827 -5.720 1.673 1.00 0.00 H new ATOM 0 HH2 TRP A 58 4.598 -7.821 1.617 1.00 0.00 H new ATOM 829 N ASN A 59 10.295 -3.138 -2.804 1.00 0.00 N ATOM 830 CA ASN A 59 11.055 -1.947 -3.145 1.00 0.00 C ATOM 831 C ASN A 59 10.611 -1.440 -4.519 1.00 0.00 C ATOM 832 O ASN A 59 11.403 -0.852 -5.253 1.00 0.00 O ATOM 833 CB ASN A 59 12.553 -2.251 -3.215 1.00 0.00 C ATOM 834 CG ASN A 59 13.146 -2.410 -1.813 1.00 0.00 C ATOM 835 OD1 ASN A 59 13.692 -1.485 -1.234 1.00 0.00 O ATOM 836 ND2 ASN A 59 13.008 -3.630 -1.303 1.00 0.00 N ATOM 0 H ASN A 59 9.872 -3.123 -1.876 1.00 0.00 H new ATOM 0 HA ASN A 59 10.874 -1.199 -2.373 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.716 -3.163 -3.788 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.067 -1.447 -3.742 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.370 -3.838 -0.372 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.540 -4.358 -1.842 1.00 0.00 H new ATOM 843 N GLU A 60 9.346 -1.688 -4.825 1.00 0.00 N ATOM 844 CA GLU A 60 8.787 -1.264 -6.097 1.00 0.00 C ATOM 845 C GLU A 60 8.285 0.178 -6.003 1.00 0.00 C ATOM 846 O GLU A 60 8.385 0.806 -4.949 1.00 0.00 O ATOM 847 CB GLU A 60 7.668 -2.205 -6.546 1.00 0.00 C ATOM 848 CG GLU A 60 8.210 -3.305 -7.461 1.00 0.00 C ATOM 849 CD GLU A 60 8.923 -2.707 -8.675 1.00 0.00 C ATOM 850 OE1 GLU A 60 8.259 -1.932 -9.397 1.00 0.00 O ATOM 851 OE2 GLU A 60 10.115 -3.037 -8.853 1.00 0.00 O ATOM 0 H GLU A 60 8.692 -2.177 -4.214 1.00 0.00 H new ATOM 0 HA GLU A 60 9.575 -1.305 -6.849 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.194 -2.654 -5.673 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.899 -1.637 -7.070 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.901 -3.938 -6.904 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.391 -3.943 -7.794 1.00 0.00 H new ATOM 858 N THR A 61 7.757 0.662 -7.117 1.00 0.00 N ATOM 859 CA THR A 61 7.240 2.019 -7.173 1.00 0.00 C ATOM 860 C THR A 61 6.017 2.086 -8.091 1.00 0.00 C ATOM 861 O THR A 61 6.091 1.703 -9.258 1.00 0.00 O ATOM 862 CB THR A 61 8.379 2.942 -7.610 1.00 0.00 C ATOM 863 OG1 THR A 61 9.118 3.171 -6.414 1.00 0.00 O ATOM 864 CG2 THR A 61 7.884 4.332 -8.015 1.00 0.00 C ATOM 0 H THR A 61 7.676 0.139 -7.989 1.00 0.00 H new ATOM 0 HA THR A 61 6.892 2.350 -6.195 1.00 0.00 H new ATOM 0 HB THR A 61 8.912 2.490 -8.446 1.00 0.00 H new ATOM 0 HG1 THR A 61 9.878 3.760 -6.606 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.732 4.947 -8.316 1.00 0.00 H new ATOM 0 HG22 THR A 61 7.187 4.242 -8.848 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.380 4.799 -7.169 1.00 0.00 H new ATOM 872 N PHE A 62 4.922 2.575 -7.529 1.00 0.00 N ATOM 873 CA PHE A 62 3.685 2.697 -8.282 1.00 0.00 C ATOM 874 C PHE A 62 3.227 4.155 -8.351 1.00 0.00 C ATOM 875 O PHE A 62 3.530 4.947 -7.461 1.00 0.00 O ATOM 876 CB PHE A 62 2.627 1.877 -7.541 1.00 0.00 C ATOM 877 CG PHE A 62 2.940 0.381 -7.465 1.00 0.00 C ATOM 878 CD1 PHE A 62 2.565 -0.445 -8.478 1.00 0.00 C ATOM 879 CD2 PHE A 62 3.594 -0.123 -6.384 1.00 0.00 C ATOM 880 CE1 PHE A 62 2.855 -1.833 -8.408 1.00 0.00 C ATOM 881 CE2 PHE A 62 3.885 -1.511 -6.314 1.00 0.00 C ATOM 882 CZ PHE A 62 3.509 -2.337 -7.327 1.00 0.00 C ATOM 0 H PHE A 62 4.865 2.892 -6.561 1.00 0.00 H new ATOM 0 HA PHE A 62 3.834 2.342 -9.302 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.522 2.268 -6.529 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.665 2.012 -8.036 1.00 0.00 H new ATOM 0 HD1 PHE A 62 2.046 -0.045 -9.337 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.892 0.533 -5.579 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.556 -2.488 -9.213 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.405 -1.911 -5.456 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.730 -3.393 -7.273 1.00 0.00 H new ATOM 892 N ILE A 63 2.503 4.465 -9.417 1.00 0.00 N ATOM 893 CA ILE A 63 2.000 5.813 -9.614 1.00 0.00 C ATOM 894 C ILE A 63 0.481 5.766 -9.791 1.00 0.00 C ATOM 895 O ILE A 63 -0.045 4.855 -10.428 1.00 0.00 O ATOM 896 CB ILE A 63 2.733 6.495 -10.771 1.00 0.00 C ATOM 897 CG1 ILE A 63 4.225 6.156 -10.752 1.00 0.00 C ATOM 898 CG2 ILE A 63 2.488 8.005 -10.762 1.00 0.00 C ATOM 899 CD1 ILE A 63 4.911 6.773 -9.532 1.00 0.00 C ATOM 0 H ILE A 63 2.253 3.805 -10.153 1.00 0.00 H new ATOM 0 HA ILE A 63 2.200 6.426 -8.735 1.00 0.00 H new ATOM 0 HB ILE A 63 2.327 6.109 -11.706 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.356 5.074 -10.739 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.697 6.523 -11.663 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.020 8.465 -11.595 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.420 8.201 -10.861 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.848 8.427 -9.824 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.970 6.517 -9.542 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.799 7.857 -9.561 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.453 6.385 -8.622 1.00 0.00 H new ATOM 911 N PHE A 64 -0.181 6.759 -9.215 1.00 0.00 N ATOM 912 CA PHE A 64 -1.629 6.842 -9.301 1.00 0.00 C ATOM 913 C PHE A 64 -2.079 8.272 -9.606 1.00 0.00 C ATOM 914 O PHE A 64 -1.369 9.229 -9.300 1.00 0.00 O ATOM 915 CB PHE A 64 -2.182 6.425 -7.937 1.00 0.00 C ATOM 916 CG PHE A 64 -2.055 4.929 -7.644 1.00 0.00 C ATOM 917 CD1 PHE A 64 -2.918 4.048 -8.219 1.00 0.00 C ATOM 918 CD2 PHE A 64 -1.080 4.480 -6.809 1.00 0.00 C ATOM 919 CE1 PHE A 64 -2.800 2.659 -7.947 1.00 0.00 C ATOM 920 CE2 PHE A 64 -0.963 3.091 -6.537 1.00 0.00 C ATOM 921 CZ PHE A 64 -1.825 2.210 -7.112 1.00 0.00 C ATOM 0 H PHE A 64 0.259 7.513 -8.687 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.992 6.198 -10.101 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.660 6.982 -7.159 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.233 6.708 -7.881 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.692 4.405 -8.882 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.395 5.179 -6.353 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.485 1.959 -8.403 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.189 2.734 -5.873 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.735 1.154 -6.905 1.00 0.00 H new ATOM 931 N THR A 65 -3.256 8.372 -10.205 1.00 0.00 N ATOM 932 CA THR A 65 -3.810 9.669 -10.555 1.00 0.00 C ATOM 933 C THR A 65 -4.663 10.212 -9.407 1.00 0.00 C ATOM 934 O THR A 65 -5.737 9.684 -9.123 1.00 0.00 O ATOM 935 CB THR A 65 -4.583 9.516 -11.866 1.00 0.00 C ATOM 936 OG1 THR A 65 -3.570 9.509 -12.868 1.00 0.00 O ATOM 937 CG2 THR A 65 -5.426 10.749 -12.198 1.00 0.00 C ATOM 0 H THR A 65 -3.842 7.576 -10.457 1.00 0.00 H new ATOM 0 HA THR A 65 -3.022 10.406 -10.710 1.00 0.00 H new ATOM 0 HB THR A 65 -5.230 8.641 -11.805 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.984 9.412 -13.751 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.953 10.587 -13.138 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.149 10.921 -11.401 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.776 11.619 -12.292 1.00 0.00 H new ATOM 945 N VAL A 66 -4.153 11.261 -8.778 1.00 0.00 N ATOM 946 CA VAL A 66 -4.854 11.881 -7.667 1.00 0.00 C ATOM 947 C VAL A 66 -5.706 13.039 -8.190 1.00 0.00 C ATOM 948 O VAL A 66 -5.174 14.045 -8.657 1.00 0.00 O ATOM 949 CB VAL A 66 -3.854 12.313 -6.592 1.00 0.00 C ATOM 950 CG1 VAL A 66 -4.575 12.727 -5.307 1.00 0.00 C ATOM 951 CG2 VAL A 66 -2.834 11.207 -6.316 1.00 0.00 C ATOM 0 H VAL A 66 -3.262 11.697 -9.017 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.529 11.167 -7.196 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.313 13.182 -6.967 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.842 13.029 -4.560 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.244 13.562 -5.518 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.154 11.885 -4.927 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.135 11.540 -5.548 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.352 10.312 -5.972 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.287 10.980 -7.231 1.00 0.00 H new ATOM 961 N SER A 67 -7.015 12.859 -8.095 1.00 0.00 N ATOM 962 CA SER A 67 -7.947 13.876 -8.553 1.00 0.00 C ATOM 963 C SER A 67 -9.260 13.770 -7.776 1.00 0.00 C ATOM 964 O SER A 67 -10.204 13.124 -8.229 1.00 0.00 O ATOM 965 CB SER A 67 -8.207 13.748 -10.055 1.00 0.00 C ATOM 966 OG SER A 67 -9.407 14.409 -10.447 1.00 0.00 O ATOM 0 H SER A 67 -7.453 12.023 -7.707 1.00 0.00 H new ATOM 0 HA SER A 67 -7.503 14.854 -8.371 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.365 14.168 -10.606 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.270 12.693 -10.324 1.00 0.00 H new ATOM 0 HG SER A 67 -10.178 13.948 -10.055 1.00 0.00 H new ATOM 972 N GLU A 68 -9.280 14.415 -6.618 1.00 0.00 N ATOM 973 CA GLU A 68 -10.462 14.402 -5.774 1.00 0.00 C ATOM 974 C GLU A 68 -10.852 12.964 -5.428 1.00 0.00 C ATOM 975 O GLU A 68 -10.519 12.033 -6.160 1.00 0.00 O ATOM 976 CB GLU A 68 -11.624 15.138 -6.446 1.00 0.00 C ATOM 977 CG GLU A 68 -12.542 15.780 -5.404 1.00 0.00 C ATOM 978 CD GLU A 68 -13.716 16.496 -6.075 1.00 0.00 C ATOM 979 OE1 GLU A 68 -13.523 16.948 -7.224 1.00 0.00 O ATOM 980 OE2 GLU A 68 -14.780 16.575 -5.423 1.00 0.00 O ATOM 0 H GLU A 68 -8.496 14.950 -6.245 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.228 14.927 -4.848 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.235 15.905 -7.115 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.195 14.441 -7.059 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.918 15.015 -4.725 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.975 16.490 -4.802 1.00 0.00 H new ATOM 987 N GLY A 69 -11.551 12.826 -4.311 1.00 0.00 N ATOM 988 CA GLY A 69 -11.989 11.517 -3.859 1.00 0.00 C ATOM 989 C GLY A 69 -10.823 10.723 -3.266 1.00 0.00 C ATOM 990 O GLY A 69 -10.896 10.262 -2.128 1.00 0.00 O ATOM 0 H GLY A 69 -11.825 13.600 -3.705 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.774 11.630 -3.111 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.421 10.966 -4.694 1.00 0.00 H new ATOM 994 N THR A 70 -9.774 10.588 -4.064 1.00 0.00 N ATOM 995 CA THR A 70 -8.594 9.858 -3.633 1.00 0.00 C ATOM 996 C THR A 70 -7.855 10.636 -2.542 1.00 0.00 C ATOM 997 O THR A 70 -7.286 11.693 -2.807 1.00 0.00 O ATOM 998 CB THR A 70 -7.735 9.576 -4.867 1.00 0.00 C ATOM 999 OG1 THR A 70 -8.683 9.328 -5.901 1.00 0.00 O ATOM 1000 CG2 THR A 70 -6.957 8.264 -4.752 1.00 0.00 C ATOM 0 H THR A 70 -9.717 10.972 -5.007 1.00 0.00 H new ATOM 0 HA THR A 70 -8.862 8.903 -3.182 1.00 0.00 H new ATOM 0 HB THR A 70 -7.037 10.399 -5.019 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.730 10.106 -6.496 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.364 8.112 -5.654 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.296 8.308 -3.886 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.656 7.436 -4.634 1.00 0.00 H new ATOM 1008 N THR A 71 -7.888 10.082 -1.339 1.00 0.00 N ATOM 1009 CA THR A 71 -7.228 10.710 -0.208 1.00 0.00 C ATOM 1010 C THR A 71 -6.552 9.654 0.669 1.00 0.00 C ATOM 1011 O THR A 71 -6.175 9.935 1.806 1.00 0.00 O ATOM 1012 CB THR A 71 -8.268 11.546 0.541 1.00 0.00 C ATOM 1013 OG1 THR A 71 -9.393 10.679 0.656 1.00 0.00 O ATOM 1014 CG2 THR A 71 -8.786 12.720 -0.293 1.00 0.00 C ATOM 0 H THR A 71 -8.362 9.205 -1.123 1.00 0.00 H new ATOM 0 HA THR A 71 -6.429 11.375 -0.536 1.00 0.00 H new ATOM 0 HB THR A 71 -7.833 11.922 1.467 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.115 11.141 1.131 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.521 13.280 0.285 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.955 13.375 -0.555 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.252 12.342 -1.203 1.00 0.00 H new ATOM 1022 N GLU A 72 -6.419 8.462 0.107 1.00 0.00 N ATOM 1023 CA GLU A 72 -5.794 7.363 0.824 1.00 0.00 C ATOM 1024 C GLU A 72 -5.669 6.139 -0.086 1.00 0.00 C ATOM 1025 O GLU A 72 -6.520 5.910 -0.944 1.00 0.00 O ATOM 1026 CB GLU A 72 -6.575 7.023 2.095 1.00 0.00 C ATOM 1027 CG GLU A 72 -7.724 6.060 1.792 1.00 0.00 C ATOM 1028 CD GLU A 72 -8.994 6.468 2.541 1.00 0.00 C ATOM 1029 OE1 GLU A 72 -9.084 6.117 3.738 1.00 0.00 O ATOM 1030 OE2 GLU A 72 -9.846 7.121 1.901 1.00 0.00 O ATOM 0 H GLU A 72 -6.733 8.233 -0.836 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.793 7.673 1.124 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.905 6.575 2.829 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.969 7.937 2.539 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.919 6.047 0.720 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.439 5.047 2.077 1.00 0.00 H new ATOM 1037 N LEU A 73 -4.601 5.386 0.132 1.00 0.00 N ATOM 1038 CA LEU A 73 -4.354 4.191 -0.657 1.00 0.00 C ATOM 1039 C LEU A 73 -4.739 2.956 0.159 1.00 0.00 C ATOM 1040 O LEU A 73 -4.521 2.915 1.369 1.00 0.00 O ATOM 1041 CB LEU A 73 -2.908 4.170 -1.158 1.00 0.00 C ATOM 1042 CG LEU A 73 -2.477 2.909 -1.909 1.00 0.00 C ATOM 1043 CD1 LEU A 73 -2.691 3.067 -3.415 1.00 0.00 C ATOM 1044 CD2 LEU A 73 -1.031 2.537 -1.571 1.00 0.00 C ATOM 0 H LEU A 73 -3.897 5.580 0.844 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.978 4.190 -1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.759 5.028 -1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.246 4.304 -0.302 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.108 2.083 -1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.376 2.156 -3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.747 3.249 -3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.102 3.909 -3.780 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.749 1.637 -2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.369 3.356 -1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.943 2.353 -0.500 1.00 0.00 H new ATOM 1056 N LYS A 74 -5.306 1.981 -0.535 1.00 0.00 N ATOM 1057 CA LYS A 74 -5.724 0.748 0.110 1.00 0.00 C ATOM 1058 C LYS A 74 -4.760 -0.376 -0.273 1.00 0.00 C ATOM 1059 O LYS A 74 -4.679 -0.759 -1.440 1.00 0.00 O ATOM 1060 CB LYS A 74 -7.187 0.441 -0.217 1.00 0.00 C ATOM 1061 CG LYS A 74 -8.108 0.887 0.921 1.00 0.00 C ATOM 1062 CD LYS A 74 -7.952 2.384 1.198 1.00 0.00 C ATOM 1063 CE LYS A 74 -9.313 3.082 1.220 1.00 0.00 C ATOM 1064 NZ LYS A 74 -9.789 3.333 -0.159 1.00 0.00 N ATOM 0 H LYS A 74 -5.486 2.020 -1.538 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.678 0.852 1.194 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.471 0.947 -1.139 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.308 -0.628 -0.390 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.144 0.667 0.663 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.878 0.321 1.823 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.449 2.530 2.154 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.320 2.835 0.433 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.036 2.465 1.754 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.236 4.025 1.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.714 3.807 -0.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.106 3.940 -0.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.881 2.429 -0.664 1.00 0.00 H new ATOM 1078 N ALA A 75 -4.052 -0.874 0.731 1.00 0.00 N ATOM 1079 CA ALA A 75 -3.096 -1.947 0.513 1.00 0.00 C ATOM 1080 C ALA A 75 -3.680 -3.259 1.040 1.00 0.00 C ATOM 1081 O ALA A 75 -3.975 -3.378 2.229 1.00 0.00 O ATOM 1082 CB ALA A 75 -1.767 -1.589 1.181 1.00 0.00 C ATOM 0 H ALA A 75 -4.121 -0.554 1.697 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.901 -2.078 -0.551 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.050 -2.393 1.018 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.381 -0.665 0.750 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.923 -1.453 2.251 1.00 0.00 H new ATOM 1088 N LYS A 76 -3.830 -4.211 0.131 1.00 0.00 N ATOM 1089 CA LYS A 76 -4.373 -5.510 0.490 1.00 0.00 C ATOM 1090 C LYS A 76 -3.363 -6.599 0.122 1.00 0.00 C ATOM 1091 O LYS A 76 -3.052 -6.791 -1.052 1.00 0.00 O ATOM 1092 CB LYS A 76 -5.751 -5.709 -0.145 1.00 0.00 C ATOM 1093 CG LYS A 76 -6.860 -5.211 0.784 1.00 0.00 C ATOM 1094 CD LYS A 76 -8.203 -5.848 0.424 1.00 0.00 C ATOM 1095 CE LYS A 76 -9.026 -6.141 1.680 1.00 0.00 C ATOM 1096 NZ LYS A 76 -9.700 -4.913 2.157 1.00 0.00 N ATOM 0 H LYS A 76 -3.585 -4.109 -0.854 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.532 -5.572 1.567 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.799 -5.174 -1.094 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.904 -6.765 -0.366 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.607 -5.447 1.818 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.938 -4.126 0.715 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.761 -5.181 -0.233 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.034 -6.772 -0.128 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.768 -6.910 1.464 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.378 -6.534 2.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.254 -5.130 3.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.987 -4.191 2.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.334 -4.554 1.415 1.00 0.00 H new ATOM 1110 N ILE A 77 -2.879 -7.283 1.148 1.00 0.00 N ATOM 1111 CA ILE A 77 -1.911 -8.348 0.948 1.00 0.00 C ATOM 1112 C ILE A 77 -2.648 -9.642 0.596 1.00 0.00 C ATOM 1113 O ILE A 77 -3.651 -9.980 1.223 1.00 0.00 O ATOM 1114 CB ILE A 77 -0.994 -8.475 2.166 1.00 0.00 C ATOM 1115 CG1 ILE A 77 -0.287 -7.151 2.460 1.00 0.00 C ATOM 1116 CG2 ILE A 77 -0.003 -9.627 1.988 1.00 0.00 C ATOM 1117 CD1 ILE A 77 -1.064 -6.332 3.494 1.00 0.00 C ATOM 0 H ILE A 77 -3.139 -7.120 2.121 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.257 -8.114 0.108 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.609 -8.711 3.034 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.720 -7.346 2.828 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.184 -6.577 1.539 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.637 -9.696 2.868 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.550 -10.562 1.864 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.611 -9.446 1.106 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.540 -5.396 3.685 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.062 -6.118 3.113 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.144 -6.899 4.422 1.00 0.00 H new ATOM 1129 N PHE A 78 -2.123 -10.331 -0.407 1.00 0.00 N ATOM 1130 CA PHE A 78 -2.719 -11.580 -0.850 1.00 0.00 C ATOM 1131 C PHE A 78 -1.652 -12.660 -1.037 1.00 0.00 C ATOM 1132 O PHE A 78 -0.495 -12.466 -0.666 1.00 0.00 O ATOM 1133 CB PHE A 78 -3.390 -11.303 -2.196 1.00 0.00 C ATOM 1134 CG PHE A 78 -4.622 -10.401 -2.104 1.00 0.00 C ATOM 1135 CD1 PHE A 78 -5.790 -10.894 -1.611 1.00 0.00 C ATOM 1136 CD2 PHE A 78 -4.550 -9.106 -2.514 1.00 0.00 C ATOM 1137 CE1 PHE A 78 -6.934 -10.057 -1.525 1.00 0.00 C ATOM 1138 CE2 PHE A 78 -5.694 -8.269 -2.428 1.00 0.00 C ATOM 1139 CZ PHE A 78 -6.862 -8.762 -1.936 1.00 0.00 C ATOM 0 H PHE A 78 -1.291 -10.048 -0.925 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.432 -11.937 -0.107 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -2.663 -10.841 -2.864 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.680 -12.252 -2.648 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.847 -11.922 -1.285 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.623 -8.714 -2.905 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -7.861 -10.448 -1.133 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.636 -7.241 -2.753 1.00 0.00 H new ATOM 0 HZ PHE A 78 -7.732 -8.126 -1.872 1.00 0.00 H new ATOM 1149 N ASP A 79 -2.078 -13.774 -1.614 1.00 0.00 N ATOM 1150 CA ASP A 79 -1.173 -14.885 -1.856 1.00 0.00 C ATOM 1151 C ASP A 79 -1.180 -15.227 -3.347 1.00 0.00 C ATOM 1152 O ASP A 79 -2.242 -15.400 -3.943 1.00 0.00 O ATOM 1153 CB ASP A 79 -1.612 -16.131 -1.083 1.00 0.00 C ATOM 1154 CG ASP A 79 -2.836 -15.937 -0.185 1.00 0.00 C ATOM 1155 OD1 ASP A 79 -3.801 -15.309 -0.669 1.00 0.00 O ATOM 1156 OD2 ASP A 79 -2.778 -16.423 0.965 1.00 0.00 O ATOM 0 H ASP A 79 -3.038 -13.931 -1.921 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.178 -14.588 -1.526 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.826 -16.926 -1.797 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -0.779 -16.471 -0.468 1.00 0.00 H new ATOM 1161 N LYS A 80 0.018 -15.315 -3.906 1.00 0.00 N ATOM 1162 CA LYS A 80 0.164 -15.634 -5.316 1.00 0.00 C ATOM 1163 C LYS A 80 -0.839 -16.726 -5.695 1.00 0.00 C ATOM 1164 O LYS A 80 -1.463 -16.661 -6.753 1.00 0.00 O ATOM 1165 CB LYS A 80 1.616 -15.994 -5.637 1.00 0.00 C ATOM 1166 CG LYS A 80 1.690 -17.259 -6.495 1.00 0.00 C ATOM 1167 CD LYS A 80 3.015 -17.327 -7.258 1.00 0.00 C ATOM 1168 CE LYS A 80 3.027 -16.336 -8.424 1.00 0.00 C ATOM 1169 NZ LYS A 80 3.883 -16.839 -9.522 1.00 0.00 N ATOM 0 H LYS A 80 0.896 -15.171 -3.408 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.067 -14.763 -5.929 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.092 -15.166 -6.162 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.170 -16.145 -4.711 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.586 -18.139 -5.861 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.859 -17.274 -7.200 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.840 -17.108 -6.581 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.171 -18.338 -7.634 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.011 -16.181 -8.788 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.394 -15.368 -8.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.880 -16.155 -10.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.855 -16.964 -9.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.515 -17.752 -9.858 1.00 0.00 H new ATOM 1183 N ASP A 81 -0.962 -17.704 -4.809 1.00 0.00 N ATOM 1184 CA ASP A 81 -1.878 -18.808 -5.037 1.00 0.00 C ATOM 1185 C ASP A 81 -3.268 -18.426 -4.526 1.00 0.00 C ATOM 1186 O ASP A 81 -3.928 -19.220 -3.857 1.00 0.00 O ATOM 1187 CB ASP A 81 -1.426 -20.062 -4.285 1.00 0.00 C ATOM 1188 CG ASP A 81 0.067 -20.378 -4.393 1.00 0.00 C ATOM 1189 OD1 ASP A 81 0.608 -20.188 -5.503 1.00 0.00 O ATOM 1190 OD2 ASP A 81 0.633 -20.804 -3.363 1.00 0.00 O ATOM 0 H ASP A 81 -0.443 -17.754 -3.933 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.897 -19.015 -6.107 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.683 -19.948 -3.232 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.991 -20.916 -4.660 1.00 0.00 H new ATOM 1195 N VAL A 82 -3.673 -17.209 -4.861 1.00 0.00 N ATOM 1196 CA VAL A 82 -4.973 -16.712 -4.444 1.00 0.00 C ATOM 1197 C VAL A 82 -5.403 -15.577 -5.376 1.00 0.00 C ATOM 1198 O VAL A 82 -4.561 -14.864 -5.920 1.00 0.00 O ATOM 1199 CB VAL A 82 -4.926 -16.292 -2.974 1.00 0.00 C ATOM 1200 CG1 VAL A 82 -6.230 -15.609 -2.557 1.00 0.00 C ATOM 1201 CG2 VAL A 82 -4.622 -17.490 -2.071 1.00 0.00 C ATOM 0 H VAL A 82 -3.124 -16.553 -5.416 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.724 -17.498 -4.520 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.117 -15.570 -2.858 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.170 -15.320 -1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.388 -14.721 -3.169 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -7.063 -16.298 -2.697 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.594 -17.164 -1.031 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.399 -18.245 -2.194 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.656 -17.915 -2.344 1.00 0.00 H new ATOM 1211 N GLY A 83 -6.712 -15.446 -5.532 1.00 0.00 N ATOM 1212 CA GLY A 83 -7.263 -14.411 -6.389 1.00 0.00 C ATOM 1213 C GLY A 83 -7.579 -13.146 -5.588 1.00 0.00 C ATOM 1214 O GLY A 83 -8.185 -13.219 -4.520 1.00 0.00 O ATOM 0 H GLY A 83 -7.407 -16.040 -5.079 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.554 -14.175 -7.183 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.170 -14.777 -6.870 1.00 0.00 H new ATOM 1218 N THR A 84 -7.154 -12.016 -6.134 1.00 0.00 N ATOM 1219 CA THR A 84 -7.384 -10.738 -5.483 1.00 0.00 C ATOM 1220 C THR A 84 -8.767 -10.713 -4.830 1.00 0.00 C ATOM 1221 O THR A 84 -8.966 -10.051 -3.812 1.00 0.00 O ATOM 1222 CB THR A 84 -7.183 -9.635 -6.523 1.00 0.00 C ATOM 1223 OG1 THR A 84 -7.949 -10.070 -7.643 1.00 0.00 O ATOM 1224 CG2 THR A 84 -5.748 -9.582 -7.052 1.00 0.00 C ATOM 0 H THR A 84 -6.652 -11.959 -7.020 1.00 0.00 H new ATOM 0 HA THR A 84 -6.674 -10.574 -4.672 1.00 0.00 H new ATOM 0 HB THR A 84 -7.444 -8.672 -6.084 1.00 0.00 H new ATOM 0 HG1 THR A 84 -7.876 -9.411 -8.365 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.660 -8.782 -7.787 1.00 0.00 H new ATOM 0 HG22 THR A 84 -5.062 -9.393 -6.226 1.00 0.00 H new ATOM 0 HG23 THR A 84 -5.498 -10.534 -7.520 1.00 0.00 H new ATOM 1232 N GLU A 85 -9.689 -11.442 -5.442 1.00 0.00 N ATOM 1233 CA GLU A 85 -11.048 -11.512 -4.934 1.00 0.00 C ATOM 1234 C GLU A 85 -11.308 -12.880 -4.300 1.00 0.00 C ATOM 1235 O GLU A 85 -12.257 -13.569 -4.670 1.00 0.00 O ATOM 1236 CB GLU A 85 -12.063 -11.218 -6.040 1.00 0.00 C ATOM 1237 CG GLU A 85 -11.699 -11.958 -7.329 1.00 0.00 C ATOM 1238 CD GLU A 85 -12.843 -11.888 -8.343 1.00 0.00 C ATOM 1239 OE1 GLU A 85 -13.896 -12.496 -8.053 1.00 0.00 O ATOM 1240 OE2 GLU A 85 -12.638 -11.228 -9.384 1.00 0.00 O ATOM 0 H GLU A 85 -9.521 -11.990 -6.286 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.167 -10.749 -4.165 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -13.059 -11.517 -5.713 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.099 -10.145 -6.230 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -10.798 -11.522 -7.761 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.472 -13.000 -7.103 1.00 0.00 H new ATOM 1247 N ASP A 86 -10.448 -13.232 -3.356 1.00 0.00 N ATOM 1248 CA ASP A 86 -10.573 -14.506 -2.667 1.00 0.00 C ATOM 1249 C ASP A 86 -10.414 -14.284 -1.161 1.00 0.00 C ATOM 1250 O ASP A 86 -11.316 -14.595 -0.386 1.00 0.00 O ATOM 1251 CB ASP A 86 -9.487 -15.485 -3.118 1.00 0.00 C ATOM 1252 CG ASP A 86 -9.617 -16.900 -2.553 1.00 0.00 C ATOM 1253 OD1 ASP A 86 -10.620 -17.139 -1.847 1.00 0.00 O ATOM 1254 OD2 ASP A 86 -8.710 -17.711 -2.839 1.00 0.00 O ATOM 0 H ASP A 86 -9.662 -12.658 -3.052 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.553 -14.922 -2.901 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.500 -15.542 -4.206 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.515 -15.083 -2.831 1.00 0.00 H new ATOM 1259 N ASP A 87 -9.259 -13.749 -0.793 1.00 0.00 N ATOM 1260 CA ASP A 87 -8.970 -13.482 0.605 1.00 0.00 C ATOM 1261 C ASP A 87 -7.587 -12.838 0.722 1.00 0.00 C ATOM 1262 O ASP A 87 -6.588 -13.425 0.307 1.00 0.00 O ATOM 1263 CB ASP A 87 -8.960 -14.776 1.422 1.00 0.00 C ATOM 1264 CG ASP A 87 -9.494 -14.644 2.850 1.00 0.00 C ATOM 1265 OD1 ASP A 87 -10.725 -14.785 3.010 1.00 0.00 O ATOM 1266 OD2 ASP A 87 -8.659 -14.404 3.748 1.00 0.00 O ATOM 0 H ASP A 87 -8.512 -13.493 -1.439 1.00 0.00 H new ATOM 0 HA ASP A 87 -9.745 -12.819 0.989 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.553 -15.524 0.896 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.938 -15.152 1.466 1.00 0.00 H new ATOM 1271 N ALA A 88 -7.572 -11.641 1.289 1.00 0.00 N ATOM 1272 CA ALA A 88 -6.328 -10.911 1.466 1.00 0.00 C ATOM 1273 C ALA A 88 -5.745 -11.233 2.843 1.00 0.00 C ATOM 1274 O ALA A 88 -6.348 -10.914 3.867 1.00 0.00 O ATOM 1275 CB ALA A 88 -6.583 -9.415 1.275 1.00 0.00 C ATOM 0 H ALA A 88 -8.402 -11.158 1.632 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.595 -11.214 0.719 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.650 -8.867 1.408 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.969 -9.237 0.271 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.312 -9.073 2.010 1.00 0.00 H new ATOM 1281 N VAL A 89 -4.578 -11.861 2.825 1.00 0.00 N ATOM 1282 CA VAL A 89 -3.907 -12.229 4.059 1.00 0.00 C ATOM 1283 C VAL A 89 -4.008 -11.071 5.055 1.00 0.00 C ATOM 1284 O VAL A 89 -4.001 -11.286 6.266 1.00 0.00 O ATOM 1285 CB VAL A 89 -2.463 -12.641 3.767 1.00 0.00 C ATOM 1286 CG1 VAL A 89 -2.389 -14.104 3.323 1.00 0.00 C ATOM 1287 CG2 VAL A 89 -1.830 -11.719 2.723 1.00 0.00 C ATOM 0 H VAL A 89 -4.080 -12.124 1.974 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.392 -13.093 4.514 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.893 -12.542 4.691 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.352 -14.371 3.122 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.782 -14.744 4.113 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.981 -14.240 2.418 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.804 -12.034 2.534 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.402 -11.771 1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.832 -10.694 3.094 1.00 0.00 H new ATOM 1297 N GLY A 90 -4.099 -9.868 4.507 1.00 0.00 N ATOM 1298 CA GLY A 90 -4.201 -8.676 5.331 1.00 0.00 C ATOM 1299 C GLY A 90 -4.327 -7.420 4.466 1.00 0.00 C ATOM 1300 O GLY A 90 -4.276 -7.499 3.240 1.00 0.00 O ATOM 0 H GLY A 90 -4.104 -9.693 3.502 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.066 -8.757 5.989 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -3.322 -8.595 5.970 1.00 0.00 H new ATOM 1304 N GLU A 91 -4.489 -6.291 5.139 1.00 0.00 N ATOM 1305 CA GLU A 91 -4.622 -5.020 4.448 1.00 0.00 C ATOM 1306 C GLU A 91 -4.079 -3.883 5.316 1.00 0.00 C ATOM 1307 O GLU A 91 -3.862 -4.061 6.514 1.00 0.00 O ATOM 1308 CB GLU A 91 -6.078 -4.761 4.053 1.00 0.00 C ATOM 1309 CG GLU A 91 -6.854 -4.125 5.208 1.00 0.00 C ATOM 1310 CD GLU A 91 -6.924 -2.605 5.050 1.00 0.00 C ATOM 1311 OE1 GLU A 91 -6.890 -2.153 3.885 1.00 0.00 O ATOM 1312 OE2 GLU A 91 -7.010 -1.929 6.098 1.00 0.00 O ATOM 0 H GLU A 91 -4.531 -6.230 6.156 1.00 0.00 H new ATOM 0 HA GLU A 91 -4.033 -5.064 3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.111 -4.105 3.183 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.553 -5.699 3.764 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.862 -4.537 5.244 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.374 -4.374 6.154 1.00 0.00 H new ATOM 1319 N ALA A 92 -3.876 -2.740 4.679 1.00 0.00 N ATOM 1320 CA ALA A 92 -3.362 -1.574 5.378 1.00 0.00 C ATOM 1321 C ALA A 92 -3.892 -0.306 4.705 1.00 0.00 C ATOM 1322 O ALA A 92 -4.164 -0.303 3.506 1.00 0.00 O ATOM 1323 CB ALA A 92 -1.833 -1.626 5.402 1.00 0.00 C ATOM 0 H ALA A 92 -4.058 -2.596 3.686 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.704 -1.565 6.413 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.447 -0.752 5.926 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.508 -2.530 5.917 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.453 -1.633 4.380 1.00 0.00 H new ATOM 1329 N THR A 93 -4.023 0.740 5.507 1.00 0.00 N ATOM 1330 CA THR A 93 -4.516 2.011 5.004 1.00 0.00 C ATOM 1331 C THR A 93 -3.376 3.029 4.918 1.00 0.00 C ATOM 1332 O THR A 93 -2.832 3.444 5.940 1.00 0.00 O ATOM 1333 CB THR A 93 -5.666 2.462 5.906 1.00 0.00 C ATOM 1334 OG1 THR A 93 -6.713 1.537 5.623 1.00 0.00 O ATOM 1335 CG2 THR A 93 -6.243 3.816 5.487 1.00 0.00 C ATOM 0 H THR A 93 -3.796 0.734 6.501 1.00 0.00 H new ATOM 0 HA THR A 93 -4.899 1.913 3.988 1.00 0.00 H new ATOM 0 HB THR A 93 -5.317 2.519 6.937 1.00 0.00 H new ATOM 0 HG1 THR A 93 -7.498 1.755 6.167 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.056 4.089 6.160 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.462 4.575 5.535 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.623 3.750 4.467 1.00 0.00 H new ATOM 1343 N ILE A 94 -3.050 3.401 3.689 1.00 0.00 N ATOM 1344 CA ILE A 94 -1.985 4.361 3.456 1.00 0.00 C ATOM 1345 C ILE A 94 -2.589 5.673 2.950 1.00 0.00 C ATOM 1346 O ILE A 94 -2.875 5.811 1.762 1.00 0.00 O ATOM 1347 CB ILE A 94 -0.925 3.772 2.523 1.00 0.00 C ATOM 1348 CG1 ILE A 94 -0.328 2.491 3.111 1.00 0.00 C ATOM 1349 CG2 ILE A 94 0.152 4.807 2.193 1.00 0.00 C ATOM 1350 CD1 ILE A 94 -0.458 1.325 2.130 1.00 0.00 C ATOM 0 H ILE A 94 -3.505 3.055 2.844 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.466 4.586 4.387 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.409 3.501 1.585 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.723 2.653 3.352 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -0.835 2.244 4.044 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.893 4.362 1.528 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.307 5.666 1.702 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.638 5.132 3.113 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.026 0.427 2.572 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.511 1.150 1.910 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.071 1.565 1.207 1.00 0.00 H new ATOM 1362 N PRO A 95 -2.770 6.627 3.901 1.00 0.00 N ATOM 1363 CA PRO A 95 -3.335 7.923 3.564 1.00 0.00 C ATOM 1364 C PRO A 95 -2.310 8.795 2.835 1.00 0.00 C ATOM 1365 O PRO A 95 -1.107 8.662 3.056 1.00 0.00 O ATOM 1366 CB PRO A 95 -3.781 8.515 4.891 1.00 0.00 C ATOM 1367 CG PRO A 95 -3.035 7.741 5.965 1.00 0.00 C ATOM 1368 CD PRO A 95 -2.443 6.499 5.319 1.00 0.00 C ATOM 0 HA PRO A 95 -4.175 7.849 2.874 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.547 9.578 4.942 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -4.859 8.419 5.019 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.248 8.356 6.402 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -3.710 7.465 6.775 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -1.365 6.448 5.474 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -2.870 5.590 5.743 1.00 0.00 H new ATOM 1376 N LEU A 96 -2.824 9.667 1.981 1.00 0.00 N ATOM 1377 CA LEU A 96 -1.969 10.560 1.218 1.00 0.00 C ATOM 1378 C LEU A 96 -2.065 11.972 1.799 1.00 0.00 C ATOM 1379 O LEU A 96 -1.361 12.879 1.359 1.00 0.00 O ATOM 1380 CB LEU A 96 -2.308 10.485 -0.272 1.00 0.00 C ATOM 1381 CG LEU A 96 -2.631 9.092 -0.817 1.00 0.00 C ATOM 1382 CD1 LEU A 96 -2.182 8.004 0.160 1.00 0.00 C ATOM 1383 CD2 LEU A 96 -4.116 8.970 -1.166 1.00 0.00 C ATOM 0 H LEU A 96 -3.822 9.774 1.800 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.927 10.251 1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.162 11.135 -0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.467 10.888 -0.836 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.070 8.948 -1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.423 7.024 -0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.106 8.077 0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.697 8.135 1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.318 7.971 -1.551 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.715 9.143 -0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.374 9.710 -1.924 1.00 0.00 H new ATOM 1395 N GLU A 97 -2.944 12.115 2.781 1.00 0.00 N ATOM 1396 CA GLU A 97 -3.142 13.401 3.427 1.00 0.00 C ATOM 1397 C GLU A 97 -1.804 13.964 3.908 1.00 0.00 C ATOM 1398 O GLU A 97 -1.534 15.154 3.750 1.00 0.00 O ATOM 1399 CB GLU A 97 -4.136 13.285 4.585 1.00 0.00 C ATOM 1400 CG GLU A 97 -5.276 14.295 4.432 1.00 0.00 C ATOM 1401 CD GLU A 97 -6.225 14.236 5.630 1.00 0.00 C ATOM 1402 OE1 GLU A 97 -6.942 13.218 5.737 1.00 0.00 O ATOM 1403 OE2 GLU A 97 -6.211 15.211 6.413 1.00 0.00 O ATOM 0 H GLU A 97 -3.527 11.361 3.145 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.564 14.092 2.697 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.543 12.274 4.620 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.620 13.454 5.530 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.866 15.300 4.338 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.829 14.089 3.515 1.00 0.00 H new ATOM 1410 N PRO A 98 -0.979 13.060 4.501 1.00 0.00 N ATOM 1411 CA PRO A 98 0.325 13.455 5.006 1.00 0.00 C ATOM 1412 C PRO A 98 1.318 13.661 3.860 1.00 0.00 C ATOM 1413 O PRO A 98 2.274 14.423 3.992 1.00 0.00 O ATOM 1414 CB PRO A 98 0.735 12.339 5.954 1.00 0.00 C ATOM 1415 CG PRO A 98 -0.134 11.146 5.592 1.00 0.00 C ATOM 1416 CD PRO A 98 -1.265 11.643 4.706 1.00 0.00 C ATOM 0 HA PRO A 98 0.302 14.413 5.526 1.00 0.00 H new ATOM 0 HB2 PRO A 98 1.793 12.100 5.842 1.00 0.00 H new ATOM 0 HB3 PRO A 98 0.583 12.633 6.993 1.00 0.00 H new ATOM 0 HG2 PRO A 98 0.454 10.390 5.072 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -0.532 10.677 6.492 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -1.293 11.104 3.759 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -2.234 11.500 5.183 1.00 0.00 H new ATOM 1424 N VAL A 99 1.056 12.968 2.762 1.00 0.00 N ATOM 1425 CA VAL A 99 1.915 13.065 1.594 1.00 0.00 C ATOM 1426 C VAL A 99 1.421 14.201 0.696 1.00 0.00 C ATOM 1427 O VAL A 99 2.083 14.562 -0.276 1.00 0.00 O ATOM 1428 CB VAL A 99 1.972 11.716 0.873 1.00 0.00 C ATOM 1429 CG1 VAL A 99 0.882 11.619 -0.196 1.00 0.00 C ATOM 1430 CG2 VAL A 99 3.357 11.476 0.268 1.00 0.00 C ATOM 0 H VAL A 99 0.261 12.337 2.656 1.00 0.00 H new ATOM 0 HA VAL A 99 2.936 13.304 1.890 1.00 0.00 H new ATOM 0 HB VAL A 99 1.788 10.934 1.610 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.945 10.651 -0.693 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.097 11.724 0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.020 12.413 -0.930 1.00 0.00 H new ATOM 0 HG21 VAL A 99 3.371 10.511 -0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.583 12.265 -0.449 1.00 0.00 H new ATOM 0 HG23 VAL A 99 4.106 11.481 1.060 1.00 0.00 H new ATOM 1440 N PHE A 100 0.262 14.735 1.055 1.00 0.00 N ATOM 1441 CA PHE A 100 -0.328 15.823 0.294 1.00 0.00 C ATOM 1442 C PHE A 100 0.084 17.180 0.869 1.00 0.00 C ATOM 1443 O PHE A 100 0.274 18.141 0.125 1.00 0.00 O ATOM 1444 CB PHE A 100 -1.846 15.675 0.406 1.00 0.00 C ATOM 1445 CG PHE A 100 -2.435 14.598 -0.507 1.00 0.00 C ATOM 1446 CD1 PHE A 100 -1.631 13.930 -1.378 1.00 0.00 C ATOM 1447 CD2 PHE A 100 -3.763 14.309 -0.449 1.00 0.00 C ATOM 1448 CE1 PHE A 100 -2.178 12.931 -2.225 1.00 0.00 C ATOM 1449 CE2 PHE A 100 -4.310 13.310 -1.297 1.00 0.00 C ATOM 1450 CZ PHE A 100 -3.506 12.642 -2.167 1.00 0.00 C ATOM 0 H PHE A 100 -0.284 14.434 1.863 1.00 0.00 H new ATOM 0 HA PHE A 100 0.010 15.779 -0.741 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.103 15.441 1.439 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.312 16.632 0.170 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -0.577 14.160 -1.425 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -4.401 14.839 0.242 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.540 12.400 -2.916 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.364 13.081 -1.251 1.00 0.00 H new ATOM 0 HZ PHE A 100 -3.922 11.882 -2.812 1.00 0.00 H new ATOM 1460 N VAL A 101 0.211 17.214 2.187 1.00 0.00 N ATOM 1461 CA VAL A 101 0.597 18.438 2.870 1.00 0.00 C ATOM 1462 C VAL A 101 2.122 18.554 2.875 1.00 0.00 C ATOM 1463 O VAL A 101 2.665 19.651 2.754 1.00 0.00 O ATOM 1464 CB VAL A 101 -0.010 18.466 4.275 1.00 0.00 C ATOM 1465 CG1 VAL A 101 -1.487 18.071 4.242 1.00 0.00 C ATOM 1466 CG2 VAL A 101 0.777 17.568 5.230 1.00 0.00 C ATOM 0 H VAL A 101 0.054 16.414 2.800 1.00 0.00 H new ATOM 0 HA VAL A 101 0.207 19.309 2.344 1.00 0.00 H new ATOM 0 HB VAL A 101 0.055 19.488 4.648 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.894 18.099 5.253 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.036 18.769 3.610 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.585 17.063 3.839 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.325 17.606 6.221 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.759 16.542 4.862 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.809 17.915 5.288 1.00 0.00 H new ATOM 1476 N GLU A 102 2.771 17.408 3.016 1.00 0.00 N ATOM 1477 CA GLU A 102 4.223 17.367 3.039 1.00 0.00 C ATOM 1478 C GLU A 102 4.776 17.345 1.612 1.00 0.00 C ATOM 1479 O GLU A 102 5.679 18.111 1.281 1.00 0.00 O ATOM 1480 CB GLU A 102 4.726 16.165 3.840 1.00 0.00 C ATOM 1481 CG GLU A 102 4.151 16.171 5.258 1.00 0.00 C ATOM 1482 CD GLU A 102 5.179 16.692 6.264 1.00 0.00 C ATOM 1483 OE1 GLU A 102 6.252 16.058 6.360 1.00 0.00 O ATOM 1484 OE2 GLU A 102 4.868 17.713 6.916 1.00 0.00 O ATOM 0 H GLU A 102 2.317 16.500 3.116 1.00 0.00 H new ATOM 0 HA GLU A 102 4.584 18.268 3.535 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.444 15.242 3.333 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.815 16.184 3.885 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.258 16.795 5.289 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.845 15.162 5.535 1.00 0.00 H new ATOM 1491 N GLY A 103 4.210 16.459 0.806 1.00 0.00 N ATOM 1492 CA GLY A 103 4.634 16.327 -0.577 1.00 0.00 C ATOM 1493 C GLY A 103 5.522 15.095 -0.763 1.00 0.00 C ATOM 1494 O GLY A 103 5.834 14.714 -1.890 1.00 0.00 O ATOM 0 H GLY A 103 3.461 15.825 1.085 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.760 16.250 -1.223 1.00 0.00 H new ATOM 0 HA3 GLY A 103 5.178 17.221 -0.881 1.00 0.00 H new ATOM 1498 N SER A 104 5.905 14.506 0.361 1.00 0.00 N ATOM 1499 CA SER A 104 6.751 13.325 0.336 1.00 0.00 C ATOM 1500 C SER A 104 6.815 12.698 1.730 1.00 0.00 C ATOM 1501 O SER A 104 7.075 13.388 2.714 1.00 0.00 O ATOM 1502 CB SER A 104 8.158 13.666 -0.158 1.00 0.00 C ATOM 1503 OG SER A 104 8.809 14.607 0.692 1.00 0.00 O ATOM 0 H SER A 104 5.645 14.825 1.294 1.00 0.00 H new ATOM 0 HA SER A 104 6.316 12.607 -0.359 1.00 0.00 H new ATOM 0 HB2 SER A 104 8.754 12.755 -0.213 1.00 0.00 H new ATOM 0 HB3 SER A 104 8.099 14.070 -1.169 1.00 0.00 H new ATOM 0 HG SER A 104 8.366 14.620 1.566 1.00 0.00 H new ATOM 1509 N ILE A 105 6.573 11.395 1.770 1.00 0.00 N ATOM 1510 CA ILE A 105 6.600 10.668 3.027 1.00 0.00 C ATOM 1511 C ILE A 105 7.521 9.454 2.889 1.00 0.00 C ATOM 1512 O ILE A 105 7.529 8.791 1.853 1.00 0.00 O ATOM 1513 CB ILE A 105 5.180 10.314 3.472 1.00 0.00 C ATOM 1514 CG1 ILE A 105 4.256 11.530 3.374 1.00 0.00 C ATOM 1515 CG2 ILE A 105 5.180 9.706 4.876 1.00 0.00 C ATOM 1516 CD1 ILE A 105 4.444 12.459 4.575 1.00 0.00 C ATOM 0 H ILE A 105 6.358 10.825 0.952 1.00 0.00 H new ATOM 0 HA ILE A 105 7.011 11.293 3.820 1.00 0.00 H new ATOM 0 HB ILE A 105 4.789 9.556 2.793 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.462 12.075 2.453 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.218 11.200 3.324 1.00 0.00 H new ATOM 0 HG21 ILE A 105 4.158 9.464 5.168 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.783 8.798 4.879 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.599 10.422 5.583 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.776 13.315 4.481 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.214 11.918 5.493 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.477 12.807 4.608 1.00 0.00 H new ATOM 1528 N PRO A 106 8.295 9.193 3.977 1.00 0.00 N ATOM 1529 CA PRO A 106 9.218 8.071 3.987 1.00 0.00 C ATOM 1530 C PRO A 106 8.470 6.747 4.159 1.00 0.00 C ATOM 1531 O PRO A 106 7.268 6.739 4.418 1.00 0.00 O ATOM 1532 CB PRO A 106 10.180 8.362 5.127 1.00 0.00 C ATOM 1533 CG PRO A 106 9.486 9.392 6.004 1.00 0.00 C ATOM 1534 CD PRO A 106 8.313 9.957 5.221 1.00 0.00 C ATOM 0 HA PRO A 106 9.758 7.963 3.046 1.00 0.00 H new ATOM 0 HB2 PRO A 106 10.404 7.456 5.690 1.00 0.00 H new ATOM 0 HB3 PRO A 106 11.128 8.745 4.750 1.00 0.00 H new ATOM 0 HG2 PRO A 106 9.141 8.934 6.931 1.00 0.00 H new ATOM 0 HG3 PRO A 106 10.179 10.187 6.280 1.00 0.00 H new ATOM 0 HD2 PRO A 106 7.378 9.842 5.770 1.00 0.00 H new ATOM 0 HD3 PRO A 106 8.441 11.022 5.030 1.00 0.00 H new ATOM 1542 N PRO A 107 9.232 5.632 4.004 1.00 0.00 N ATOM 1543 CA PRO A 107 8.654 4.305 4.140 1.00 0.00 C ATOM 1544 C PRO A 107 8.396 3.967 5.609 1.00 0.00 C ATOM 1545 O PRO A 107 9.325 3.644 6.348 1.00 0.00 O ATOM 1546 CB PRO A 107 9.656 3.371 3.482 1.00 0.00 C ATOM 1547 CG PRO A 107 10.965 4.141 3.418 1.00 0.00 C ATOM 1548 CD PRO A 107 10.660 5.603 3.698 1.00 0.00 C ATOM 0 HA PRO A 107 7.678 4.220 3.663 1.00 0.00 H new ATOM 0 HB2 PRO A 107 9.771 2.453 4.058 1.00 0.00 H new ATOM 0 HB3 PRO A 107 9.324 3.082 2.485 1.00 0.00 H new ATOM 0 HG2 PRO A 107 11.673 3.752 4.150 1.00 0.00 H new ATOM 0 HG3 PRO A 107 11.426 4.028 2.437 1.00 0.00 H new ATOM 0 HD2 PRO A 107 11.252 5.978 4.533 1.00 0.00 H new ATOM 0 HD3 PRO A 107 10.893 6.228 2.836 1.00 0.00 H new ATOM 1556 N THR A 108 7.130 4.054 5.990 1.00 0.00 N ATOM 1557 CA THR A 108 6.738 3.761 7.358 1.00 0.00 C ATOM 1558 C THR A 108 5.906 2.479 7.412 1.00 0.00 C ATOM 1559 O THR A 108 5.200 2.152 6.459 1.00 0.00 O ATOM 1560 CB THR A 108 6.005 4.985 7.912 1.00 0.00 C ATOM 1561 OG1 THR A 108 7.005 5.688 8.644 1.00 0.00 O ATOM 1562 CG2 THR A 108 4.962 4.614 8.968 1.00 0.00 C ATOM 0 H THR A 108 6.362 4.323 5.375 1.00 0.00 H new ATOM 0 HA THR A 108 7.608 3.573 7.987 1.00 0.00 H new ATOM 0 HB THR A 108 5.520 5.518 7.094 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.615 6.497 9.036 1.00 0.00 H new ATOM 0 HG21 THR A 108 4.471 5.518 9.328 1.00 0.00 H new ATOM 0 HG22 THR A 108 4.219 3.949 8.528 1.00 0.00 H new ATOM 0 HG23 THR A 108 5.451 4.110 9.802 1.00 0.00 H new ATOM 1570 N ALA A 109 6.017 1.786 8.536 1.00 0.00 N ATOM 1571 CA ALA A 109 5.284 0.546 8.726 1.00 0.00 C ATOM 1572 C ALA A 109 3.836 0.867 9.101 1.00 0.00 C ATOM 1573 O ALA A 109 3.557 1.268 10.230 1.00 0.00 O ATOM 1574 CB ALA A 109 5.985 -0.304 9.787 1.00 0.00 C ATOM 0 H ALA A 109 6.604 2.060 9.324 1.00 0.00 H new ATOM 0 HA ALA A 109 5.265 -0.034 7.803 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.435 -1.234 9.930 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.000 -0.529 9.460 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.020 0.245 10.728 1.00 0.00 H new ATOM 1580 N TYR A 110 2.952 0.680 8.132 1.00 0.00 N ATOM 1581 CA TYR A 110 1.539 0.944 8.346 1.00 0.00 C ATOM 1582 C TYR A 110 0.840 -0.271 8.959 1.00 0.00 C ATOM 1583 O TYR A 110 1.061 -1.401 8.529 1.00 0.00 O ATOM 1584 CB TYR A 110 0.946 1.214 6.961 1.00 0.00 C ATOM 1585 CG TYR A 110 1.420 2.522 6.325 1.00 0.00 C ATOM 1586 CD1 TYR A 110 1.012 3.732 6.848 1.00 0.00 C ATOM 1587 CD2 TYR A 110 2.257 2.492 5.228 1.00 0.00 C ATOM 1588 CE1 TYR A 110 1.458 4.963 6.249 1.00 0.00 C ATOM 1589 CE2 TYR A 110 2.703 3.723 4.629 1.00 0.00 C ATOM 1590 CZ TYR A 110 2.282 4.898 5.169 1.00 0.00 C ATOM 1591 OH TYR A 110 2.704 6.060 4.604 1.00 0.00 O ATOM 0 H TYR A 110 3.187 0.349 7.196 1.00 0.00 H new ATOM 0 HA TYR A 110 1.405 1.783 9.029 1.00 0.00 H new ATOM 0 HB2 TYR A 110 1.203 0.387 6.300 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -0.141 1.233 7.040 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.358 3.756 7.707 1.00 0.00 H new ATOM 0 HD2 TYR A 110 2.577 1.545 4.819 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.145 5.916 6.648 1.00 0.00 H new ATOM 0 HE2 TYR A 110 3.357 3.713 3.770 1.00 0.00 H new ATOM 0 HH TYR A 110 3.288 5.860 3.842 1.00 0.00 H new ATOM 1601 N ASN A 111 0.011 0.004 9.955 1.00 0.00 N ATOM 1602 CA ASN A 111 -0.722 -1.052 10.632 1.00 0.00 C ATOM 1603 C ASN A 111 -1.427 -1.925 9.592 1.00 0.00 C ATOM 1604 O ASN A 111 -2.163 -1.419 8.747 1.00 0.00 O ATOM 1605 CB ASN A 111 -1.788 -0.473 11.564 1.00 0.00 C ATOM 1606 CG ASN A 111 -1.236 0.711 12.360 1.00 0.00 C ATOM 1607 OD1 ASN A 111 -0.146 1.201 12.118 1.00 0.00 O ATOM 1608 ND2 ASN A 111 -2.048 1.142 13.321 1.00 0.00 N ATOM 0 H ASN A 111 -0.169 0.943 10.310 1.00 0.00 H new ATOM 0 HA ASN A 111 -0.010 -1.635 11.217 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -2.651 -0.153 10.980 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -2.136 -1.246 12.249 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -1.771 1.928 13.908 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -2.948 0.686 13.471 1.00 0.00 H new ATOM 1615 N VAL A 112 -1.176 -3.223 9.688 1.00 0.00 N ATOM 1616 CA VAL A 112 -1.777 -4.171 8.766 1.00 0.00 C ATOM 1617 C VAL A 112 -2.759 -5.064 9.527 1.00 0.00 C ATOM 1618 O VAL A 112 -2.352 -5.859 10.374 1.00 0.00 O ATOM 1619 CB VAL A 112 -0.685 -4.963 8.043 1.00 0.00 C ATOM 1620 CG1 VAL A 112 -1.272 -6.188 7.338 1.00 0.00 C ATOM 1621 CG2 VAL A 112 0.076 -4.074 7.058 1.00 0.00 C ATOM 0 H VAL A 112 -0.565 -3.640 10.390 1.00 0.00 H new ATOM 0 HA VAL A 112 -2.344 -3.647 7.996 1.00 0.00 H new ATOM 0 HB VAL A 112 0.025 -5.316 8.791 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.475 -6.733 6.832 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -1.747 -6.838 8.073 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -2.013 -5.866 6.606 1.00 0.00 H new ATOM 0 HG21 VAL A 112 0.846 -4.661 6.558 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -0.617 -3.677 6.316 1.00 0.00 H new ATOM 0 HG23 VAL A 112 0.542 -3.249 7.597 1.00 0.00 H new ATOM 1631 N VAL A 113 -4.032 -4.904 9.199 1.00 0.00 N ATOM 1632 CA VAL A 113 -5.075 -5.686 9.841 1.00 0.00 C ATOM 1633 C VAL A 113 -5.738 -6.594 8.804 1.00 0.00 C ATOM 1634 O VAL A 113 -5.504 -6.447 7.605 1.00 0.00 O ATOM 1635 CB VAL A 113 -6.067 -4.758 10.545 1.00 0.00 C ATOM 1636 CG1 VAL A 113 -5.702 -4.583 12.021 1.00 0.00 C ATOM 1637 CG2 VAL A 113 -6.148 -3.404 9.836 1.00 0.00 C ATOM 0 H VAL A 113 -4.365 -4.244 8.497 1.00 0.00 H new ATOM 0 HA VAL A 113 -4.650 -6.329 10.611 1.00 0.00 H new ATOM 0 HB VAL A 113 -7.052 -5.222 10.497 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.423 -3.919 12.498 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -5.719 -5.553 12.517 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.704 -4.152 12.100 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.860 -2.763 10.356 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.165 -2.932 9.839 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.477 -3.551 8.807 1.00 0.00 H new ATOM 1647 N LYS A 114 -6.552 -7.513 9.302 1.00 0.00 N ATOM 1648 CA LYS A 114 -7.251 -8.444 8.434 1.00 0.00 C ATOM 1649 C LYS A 114 -8.670 -8.662 8.963 1.00 0.00 C ATOM 1650 O LYS A 114 -8.911 -9.582 9.743 1.00 0.00 O ATOM 1651 CB LYS A 114 -6.448 -9.737 8.277 1.00 0.00 C ATOM 1652 CG LYS A 114 -7.262 -10.803 7.541 1.00 0.00 C ATOM 1653 CD LYS A 114 -7.926 -10.220 6.292 1.00 0.00 C ATOM 1654 CE LYS A 114 -8.770 -11.276 5.576 1.00 0.00 C ATOM 1655 NZ LYS A 114 -10.013 -10.673 5.045 1.00 0.00 N ATOM 0 H LYS A 114 -6.743 -7.632 10.297 1.00 0.00 H new ATOM 0 HA LYS A 114 -7.345 -8.030 7.430 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.528 -9.534 7.728 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -6.157 -10.110 9.259 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.612 -11.631 7.259 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.024 -11.208 8.207 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.555 -9.375 6.571 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.162 -9.839 5.614 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -8.196 -11.718 4.761 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -9.016 -12.083 6.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -10.574 -11.403 4.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -10.567 -10.273 5.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -9.772 -9.919 4.370 1.00 0.00 H new ATOM 1669 N ASP A 115 -9.572 -7.800 8.517 1.00 0.00 N ATOM 1670 CA ASP A 115 -10.961 -7.887 8.936 1.00 0.00 C ATOM 1671 C ASP A 115 -11.141 -7.124 10.251 1.00 0.00 C ATOM 1672 O ASP A 115 -12.251 -6.718 10.589 1.00 0.00 O ATOM 1673 CB ASP A 115 -11.375 -9.341 9.173 1.00 0.00 C ATOM 1674 CG ASP A 115 -12.841 -9.653 8.865 1.00 0.00 C ATOM 1675 OD1 ASP A 115 -13.690 -8.813 9.234 1.00 0.00 O ATOM 1676 OD2 ASP A 115 -13.080 -10.726 8.269 1.00 0.00 O ATOM 0 H ASP A 115 -9.368 -7.038 7.870 1.00 0.00 H new ATOM 0 HA ASP A 115 -11.579 -7.460 8.146 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -10.745 -9.987 8.561 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -11.176 -9.595 10.214 1.00 0.00 H new ATOM 1681 N GLU A 116 -10.032 -6.954 10.955 1.00 0.00 N ATOM 1682 CA GLU A 116 -10.054 -6.247 12.225 1.00 0.00 C ATOM 1683 C GLU A 116 -8.856 -6.660 13.083 1.00 0.00 C ATOM 1684 O GLU A 116 -8.458 -5.933 13.991 1.00 0.00 O ATOM 1685 CB GLU A 116 -11.370 -6.492 12.966 1.00 0.00 C ATOM 1686 CG GLU A 116 -11.796 -7.958 12.858 1.00 0.00 C ATOM 1687 CD GLU A 116 -11.985 -8.577 14.244 1.00 0.00 C ATOM 1688 OE1 GLU A 116 -13.028 -8.277 14.863 1.00 0.00 O ATOM 1689 OE2 GLU A 116 -11.081 -9.338 14.654 1.00 0.00 O ATOM 0 H GLU A 116 -9.113 -7.293 10.671 1.00 0.00 H new ATOM 0 HA GLU A 116 -9.981 -5.178 12.025 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -11.257 -6.219 14.015 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -12.149 -5.852 12.552 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.726 -8.030 12.294 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -11.043 -8.519 12.305 1.00 0.00 H new ATOM 1696 N GLU A 117 -8.315 -7.827 12.764 1.00 0.00 N ATOM 1697 CA GLU A 117 -7.171 -8.346 13.494 1.00 0.00 C ATOM 1698 C GLU A 117 -5.869 -7.843 12.867 1.00 0.00 C ATOM 1699 O GLU A 117 -5.723 -7.845 11.646 1.00 0.00 O ATOM 1700 CB GLU A 117 -7.200 -9.875 13.546 1.00 0.00 C ATOM 1701 CG GLU A 117 -8.124 -10.368 14.661 1.00 0.00 C ATOM 1702 CD GLU A 117 -9.105 -11.418 14.136 1.00 0.00 C ATOM 1703 OE1 GLU A 117 -9.896 -11.057 13.238 1.00 0.00 O ATOM 1704 OE2 GLU A 117 -9.043 -12.558 14.645 1.00 0.00 O ATOM 0 H GLU A 117 -8.648 -8.428 12.010 1.00 0.00 H new ATOM 0 HA GLU A 117 -7.223 -7.980 14.519 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -7.538 -10.269 12.588 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -6.192 -10.256 13.709 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -7.529 -10.793 15.470 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -8.676 -9.526 15.079 1.00 0.00 H new ATOM 1711 N TYR A 118 -4.956 -7.425 13.732 1.00 0.00 N ATOM 1712 CA TYR A 118 -3.671 -6.920 13.278 1.00 0.00 C ATOM 1713 C TYR A 118 -2.762 -8.065 12.824 1.00 0.00 C ATOM 1714 O TYR A 118 -2.334 -8.881 13.638 1.00 0.00 O ATOM 1715 CB TYR A 118 -3.038 -6.231 14.488 1.00 0.00 C ATOM 1716 CG TYR A 118 -1.759 -5.456 14.164 1.00 0.00 C ATOM 1717 CD1 TYR A 118 -1.838 -4.200 13.597 1.00 0.00 C ATOM 1718 CD2 TYR A 118 -0.526 -6.014 14.437 1.00 0.00 C ATOM 1719 CE1 TYR A 118 -0.634 -3.471 13.292 1.00 0.00 C ATOM 1720 CE2 TYR A 118 0.677 -5.285 14.132 1.00 0.00 C ATOM 1721 CZ TYR A 118 0.564 -4.049 13.575 1.00 0.00 C ATOM 1722 OH TYR A 118 1.701 -3.361 13.286 1.00 0.00 O ATOM 0 H TYR A 118 -5.081 -7.426 14.744 1.00 0.00 H new ATOM 0 HA TYR A 118 -3.800 -6.244 12.433 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.765 -5.546 14.925 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -2.813 -6.983 15.245 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -2.802 -3.764 13.382 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -0.464 -6.997 14.879 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -0.681 -2.487 12.849 1.00 0.00 H new ATOM 0 HE2 TYR A 118 1.648 -5.710 14.341 1.00 0.00 H new ATOM 0 HH TYR A 118 2.481 -3.896 13.543 1.00 0.00 H new ATOM 1732 N LYS A 119 -2.495 -8.087 11.527 1.00 0.00 N ATOM 1733 CA LYS A 119 -1.645 -9.117 10.955 1.00 0.00 C ATOM 1734 C LYS A 119 -0.180 -8.699 11.095 1.00 0.00 C ATOM 1735 O LYS A 119 0.709 -9.547 11.147 1.00 0.00 O ATOM 1736 CB LYS A 119 -2.064 -9.420 9.515 1.00 0.00 C ATOM 1737 CG LYS A 119 -3.507 -9.924 9.458 1.00 0.00 C ATOM 1738 CD LYS A 119 -3.689 -11.166 10.334 1.00 0.00 C ATOM 1739 CE LYS A 119 -4.523 -10.844 11.576 1.00 0.00 C ATOM 1740 NZ LYS A 119 -4.597 -12.021 12.470 1.00 0.00 N ATOM 0 H LYS A 119 -2.852 -7.408 10.855 1.00 0.00 H new ATOM 0 HA LYS A 119 -1.763 -10.054 11.500 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -1.965 -8.521 8.907 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.397 -10.169 9.088 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.184 -9.137 9.791 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.773 -10.159 8.428 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.176 -11.953 9.758 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.714 -11.549 10.636 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.082 -10.002 12.109 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -5.527 -10.542 11.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -5.570 -12.129 12.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -4.323 -12.875 11.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.951 -11.888 13.274 1.00 0.00 H new ATOM 1754 N GLY A 120 0.026 -7.391 11.151 1.00 0.00 N ATOM 1755 CA GLY A 120 1.368 -6.850 11.283 1.00 0.00 C ATOM 1756 C GLY A 120 1.433 -5.413 10.762 1.00 0.00 C ATOM 1757 O GLY A 120 0.480 -4.650 10.912 1.00 0.00 O ATOM 0 H GLY A 120 -0.714 -6.690 11.107 1.00 0.00 H new ATOM 0 HA2 GLY A 120 1.673 -6.876 12.329 1.00 0.00 H new ATOM 0 HA3 GLY A 120 2.071 -7.473 10.731 1.00 0.00 H new ATOM 1761 N GLU A 121 2.567 -5.087 10.159 1.00 0.00 N ATOM 1762 CA GLU A 121 2.770 -3.755 9.615 1.00 0.00 C ATOM 1763 C GLU A 121 3.347 -3.841 8.201 1.00 0.00 C ATOM 1764 O GLU A 121 4.086 -4.772 7.884 1.00 0.00 O ATOM 1765 CB GLU A 121 3.673 -2.922 10.526 1.00 0.00 C ATOM 1766 CG GLU A 121 4.963 -3.675 10.857 1.00 0.00 C ATOM 1767 CD GLU A 121 5.612 -3.120 12.126 1.00 0.00 C ATOM 1768 OE1 GLU A 121 4.866 -2.938 13.113 1.00 0.00 O ATOM 1769 OE2 GLU A 121 6.840 -2.889 12.081 1.00 0.00 O ATOM 0 H GLU A 121 3.355 -5.723 10.035 1.00 0.00 H new ATOM 0 HA GLU A 121 1.803 -3.255 9.562 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.914 -1.977 10.039 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.143 -2.680 11.447 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.746 -4.735 10.989 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.660 -3.594 10.023 1.00 0.00 H new ATOM 1776 N ILE A 122 2.988 -2.858 7.388 1.00 0.00 N ATOM 1777 CA ILE A 122 3.461 -2.812 6.015 1.00 0.00 C ATOM 1778 C ILE A 122 4.239 -1.513 5.792 1.00 0.00 C ATOM 1779 O ILE A 122 3.722 -0.425 6.039 1.00 0.00 O ATOM 1780 CB ILE A 122 2.298 -3.007 5.041 1.00 0.00 C ATOM 1781 CG1 ILE A 122 2.804 -3.145 3.603 1.00 0.00 C ATOM 1782 CG2 ILE A 122 1.271 -1.882 5.181 1.00 0.00 C ATOM 1783 CD1 ILE A 122 1.639 -3.293 2.624 1.00 0.00 C ATOM 0 H ILE A 122 2.375 -2.087 7.654 1.00 0.00 H new ATOM 0 HA ILE A 122 4.150 -3.634 5.821 1.00 0.00 H new ATOM 0 HB ILE A 122 1.792 -3.938 5.295 1.00 0.00 H new ATOM 0 HG12 ILE A 122 3.398 -2.271 3.337 1.00 0.00 H new ATOM 0 HG13 ILE A 122 3.460 -4.012 3.526 1.00 0.00 H new ATOM 0 HG21 ILE A 122 0.455 -2.045 4.477 1.00 0.00 H new ATOM 0 HG22 ILE A 122 0.877 -1.873 6.197 1.00 0.00 H new ATOM 0 HG23 ILE A 122 1.748 -0.925 4.968 1.00 0.00 H new ATOM 0 HD11 ILE A 122 2.026 -3.389 1.610 1.00 0.00 H new ATOM 0 HD12 ILE A 122 1.061 -4.182 2.878 1.00 0.00 H new ATOM 0 HD13 ILE A 122 0.998 -2.414 2.686 1.00 0.00 H new ATOM 1795 N TRP A 123 5.470 -1.671 5.328 1.00 0.00 N ATOM 1796 CA TRP A 123 6.325 -0.524 5.069 1.00 0.00 C ATOM 1797 C TRP A 123 6.038 -0.032 3.649 1.00 0.00 C ATOM 1798 O TRP A 123 6.146 -0.795 2.691 1.00 0.00 O ATOM 1799 CB TRP A 123 7.797 -0.875 5.295 1.00 0.00 C ATOM 1800 CG TRP A 123 8.178 -1.047 6.766 1.00 0.00 C ATOM 1801 CD1 TRP A 123 7.800 -2.018 7.609 1.00 0.00 C ATOM 1802 CD2 TRP A 123 9.032 -0.178 7.540 1.00 0.00 C ATOM 1803 NE1 TRP A 123 8.346 -1.840 8.864 1.00 0.00 N ATOM 1804 CE2 TRP A 123 9.119 -0.686 8.821 1.00 0.00 C ATOM 1805 CE3 TRP A 123 9.709 0.997 7.170 1.00 0.00 C ATOM 1806 CZ2 TRP A 123 9.873 -0.083 9.834 1.00 0.00 C ATOM 1807 CZ3 TRP A 123 10.458 1.588 8.195 1.00 0.00 C ATOM 1808 CH2 TRP A 123 10.556 1.089 9.489 1.00 0.00 C ATOM 0 H TRP A 123 5.896 -2.575 5.125 1.00 0.00 H new ATOM 0 HA TRP A 123 6.109 0.284 5.768 1.00 0.00 H new ATOM 0 HB2 TRP A 123 8.026 -1.797 4.761 1.00 0.00 H new ATOM 0 HB3 TRP A 123 8.417 -0.092 4.859 1.00 0.00 H new ATOM 0 HD1 TRP A 123 7.150 -2.837 7.340 1.00 0.00 H new ATOM 0 HE1 TRP A 123 8.208 -2.444 9.674 1.00 0.00 H new ATOM 0 HE3 TRP A 123 9.656 1.411 6.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 9.925 -0.500 10.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.997 2.495 7.964 1.00 0.00 H new ATOM 0 HH2 TRP A 123 11.156 1.603 10.225 1.00 0.00 H new ATOM 1819 N VAL A 124 5.679 1.240 3.560 1.00 0.00 N ATOM 1820 CA VAL A 124 5.375 1.843 2.273 1.00 0.00 C ATOM 1821 C VAL A 124 5.696 3.338 2.327 1.00 0.00 C ATOM 1822 O VAL A 124 5.487 3.985 3.352 1.00 0.00 O ATOM 1823 CB VAL A 124 3.922 1.557 1.890 1.00 0.00 C ATOM 1824 CG1 VAL A 124 3.640 1.985 0.448 1.00 0.00 C ATOM 1825 CG2 VAL A 124 3.580 0.081 2.101 1.00 0.00 C ATOM 0 H VAL A 124 5.592 1.870 4.358 1.00 0.00 H new ATOM 0 HA VAL A 124 5.995 1.405 1.491 1.00 0.00 H new ATOM 0 HB VAL A 124 3.281 2.146 2.545 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.600 1.771 0.202 1.00 0.00 H new ATOM 0 HG12 VAL A 124 3.825 3.054 0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.294 1.436 -0.229 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.541 -0.095 1.821 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.232 -0.536 1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 124 3.722 -0.179 3.150 1.00 0.00 H new ATOM 1835 N ALA A 125 6.199 3.843 1.210 1.00 0.00 N ATOM 1836 CA ALA A 125 6.551 5.250 1.117 1.00 0.00 C ATOM 1837 C ALA A 125 5.583 5.952 0.162 1.00 0.00 C ATOM 1838 O ALA A 125 5.100 5.347 -0.794 1.00 0.00 O ATOM 1839 CB ALA A 125 8.008 5.384 0.671 1.00 0.00 C ATOM 0 H ALA A 125 6.371 3.303 0.362 1.00 0.00 H new ATOM 0 HA ALA A 125 6.462 5.732 2.091 1.00 0.00 H new ATOM 0 HB1 ALA A 125 8.272 6.439 0.601 1.00 0.00 H new ATOM 0 HB2 ALA A 125 8.657 4.895 1.397 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.135 4.913 -0.304 1.00 0.00 H new ATOM 1845 N LEU A 126 5.327 7.218 0.455 1.00 0.00 N ATOM 1846 CA LEU A 126 4.425 8.009 -0.365 1.00 0.00 C ATOM 1847 C LEU A 126 5.156 9.258 -0.861 1.00 0.00 C ATOM 1848 O LEU A 126 5.917 9.873 -0.115 1.00 0.00 O ATOM 1849 CB LEU A 126 3.135 8.313 0.398 1.00 0.00 C ATOM 1850 CG LEU A 126 2.350 7.100 0.900 1.00 0.00 C ATOM 1851 CD1 LEU A 126 1.398 7.492 2.032 1.00 0.00 C ATOM 1852 CD2 LEU A 126 1.617 6.406 -0.251 1.00 0.00 C ATOM 0 H LEU A 126 5.729 7.716 1.249 1.00 0.00 H new ATOM 0 HA LEU A 126 4.120 7.447 -1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.382 8.940 1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.483 8.900 -0.249 1.00 0.00 H new ATOM 0 HG LEU A 126 3.059 6.381 1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 126 0.852 6.611 2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 126 1.971 7.905 2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.692 8.240 1.671 1.00 0.00 H new ATOM 0 HD21 LEU A 126 1.067 5.547 0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.921 7.106 -0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.341 6.070 -0.994 1.00 0.00 H new ATOM 1864 N SER A 127 4.899 9.596 -2.116 1.00 0.00 N ATOM 1865 CA SER A 127 5.523 10.761 -2.720 1.00 0.00 C ATOM 1866 C SER A 127 4.559 11.416 -3.712 1.00 0.00 C ATOM 1867 O SER A 127 4.478 11.004 -4.868 1.00 0.00 O ATOM 1868 CB SER A 127 6.831 10.385 -3.420 1.00 0.00 C ATOM 1869 OG SER A 127 7.972 10.842 -2.700 1.00 0.00 O ATOM 0 H SER A 127 4.267 9.083 -2.731 1.00 0.00 H new ATOM 0 HA SER A 127 5.758 11.472 -1.928 1.00 0.00 H new ATOM 0 HB2 SER A 127 6.883 9.302 -3.533 1.00 0.00 H new ATOM 0 HB3 SER A 127 6.841 10.811 -4.423 1.00 0.00 H new ATOM 0 HG SER A 127 8.787 10.581 -3.178 1.00 0.00 H new ATOM 1875 N PHE A 128 3.853 12.425 -3.223 1.00 0.00 N ATOM 1876 CA PHE A 128 2.898 13.140 -4.052 1.00 0.00 C ATOM 1877 C PHE A 128 3.614 14.062 -5.042 1.00 0.00 C ATOM 1878 O PHE A 128 4.599 14.709 -4.692 1.00 0.00 O ATOM 1879 CB PHE A 128 2.039 13.989 -3.113 1.00 0.00 C ATOM 1880 CG PHE A 128 1.019 14.875 -3.833 1.00 0.00 C ATOM 1881 CD1 PHE A 128 0.095 14.315 -4.658 1.00 0.00 C ATOM 1882 CD2 PHE A 128 1.038 16.222 -3.647 1.00 0.00 C ATOM 1883 CE1 PHE A 128 -0.851 15.136 -5.326 1.00 0.00 C ATOM 1884 CE2 PHE A 128 0.092 17.044 -4.315 1.00 0.00 C ATOM 1885 CZ PHE A 128 -0.833 16.483 -5.140 1.00 0.00 C ATOM 0 H PHE A 128 3.923 12.764 -2.264 1.00 0.00 H new ATOM 0 HA PHE A 128 2.298 12.432 -4.624 1.00 0.00 H new ATOM 0 HB2 PHE A 128 1.510 13.329 -2.425 1.00 0.00 H new ATOM 0 HB3 PHE A 128 2.692 14.620 -2.511 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.081 13.245 -4.805 1.00 0.00 H new ATOM 0 HD2 PHE A 128 1.772 16.666 -2.991 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -1.585 14.691 -5.982 1.00 0.00 H new ATOM 0 HE2 PHE A 128 0.107 18.114 -4.168 1.00 0.00 H new ATOM 0 HZ PHE A 128 -1.553 17.108 -5.647 1.00 0.00 H new ATOM 1895 N LYS A 129 3.090 14.091 -6.258 1.00 0.00 N ATOM 1896 CA LYS A 129 3.667 14.923 -7.302 1.00 0.00 C ATOM 1897 C LYS A 129 2.581 15.832 -7.881 1.00 0.00 C ATOM 1898 O LYS A 129 1.840 15.429 -8.776 1.00 0.00 O ATOM 1899 CB LYS A 129 4.368 14.057 -8.350 1.00 0.00 C ATOM 1900 CG LYS A 129 5.700 13.524 -7.820 1.00 0.00 C ATOM 1901 CD LYS A 129 6.034 12.166 -8.441 1.00 0.00 C ATOM 1902 CE LYS A 129 7.546 11.987 -8.589 1.00 0.00 C ATOM 1903 NZ LYS A 129 7.950 12.147 -10.003 1.00 0.00 N ATOM 0 H LYS A 129 2.273 13.552 -6.545 1.00 0.00 H new ATOM 0 HA LYS A 129 4.440 15.572 -6.890 1.00 0.00 H new ATOM 0 HB2 LYS A 129 3.723 13.223 -8.628 1.00 0.00 H new ATOM 0 HB3 LYS A 129 4.540 14.642 -9.254 1.00 0.00 H new ATOM 0 HG2 LYS A 129 6.495 14.235 -8.043 1.00 0.00 H new ATOM 0 HG3 LYS A 129 5.652 13.430 -6.735 1.00 0.00 H new ATOM 0 HD2 LYS A 129 5.629 11.368 -7.818 1.00 0.00 H new ATOM 0 HD3 LYS A 129 5.557 12.082 -9.417 1.00 0.00 H new ATOM 0 HE2 LYS A 129 8.067 12.718 -7.971 1.00 0.00 H new ATOM 0 HE3 LYS A 129 7.838 11.000 -8.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 8.979 12.023 -10.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 7.467 11.433 -10.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 7.689 13.098 -10.333 1.00 0.00 H new ATOM 1917 N PRO A 130 2.520 17.075 -7.332 1.00 0.00 N ATOM 1918 CA PRO A 130 1.538 18.046 -7.785 1.00 0.00 C ATOM 1919 C PRO A 130 1.928 18.627 -9.145 1.00 0.00 C ATOM 1920 O PRO A 130 3.077 19.015 -9.352 1.00 0.00 O ATOM 1921 CB PRO A 130 1.484 19.093 -6.685 1.00 0.00 C ATOM 1922 CG PRO A 130 2.763 18.921 -5.882 1.00 0.00 C ATOM 1923 CD PRO A 130 3.381 17.588 -6.271 1.00 0.00 C ATOM 0 HA PRO A 130 0.554 17.605 -7.946 1.00 0.00 H new ATOM 0 HB2 PRO A 130 1.418 20.097 -7.104 1.00 0.00 H new ATOM 0 HB3 PRO A 130 0.606 18.953 -6.055 1.00 0.00 H new ATOM 0 HG2 PRO A 130 3.455 19.737 -6.087 1.00 0.00 H new ATOM 0 HG3 PRO A 130 2.549 18.945 -4.813 1.00 0.00 H new ATOM 0 HD2 PRO A 130 4.406 17.714 -6.619 1.00 0.00 H new ATOM 0 HD3 PRO A 130 3.414 16.904 -5.423 1.00 0.00 H new ATOM 1931 N SER A 131 0.950 18.670 -10.037 1.00 0.00 N ATOM 1932 CA SER A 131 1.176 19.198 -11.372 1.00 0.00 C ATOM 1933 C SER A 131 1.675 20.642 -11.286 1.00 0.00 C ATOM 1934 O SER A 131 0.878 21.580 -11.310 1.00 0.00 O ATOM 1935 CB SER A 131 -0.097 19.125 -12.217 1.00 0.00 C ATOM 1936 OG SER A 131 0.157 19.404 -13.591 1.00 0.00 O ATOM 0 H SER A 131 -0.002 18.348 -9.862 1.00 0.00 H new ATOM 0 HA SER A 131 1.936 18.586 -11.857 1.00 0.00 H new ATOM 0 HB2 SER A 131 -0.537 18.132 -12.124 1.00 0.00 H new ATOM 0 HB3 SER A 131 -0.829 19.835 -11.832 1.00 0.00 H new ATOM 0 HG SER A 131 -0.680 19.346 -14.097 1.00 0.00 H new