USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 879 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 78 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 82 ASN : amide:sc= -0.692 K(o=-0.69,f=-0.16) USER MOD Set 2.1: A 47 MET CE :methyl 162:sc= 0 (180deg=-0.136) USER MOD Set 2.2: A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.0434 X(o=-0.043,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 CYS SG : rot 170:sc= 0 USER MOD Single : A 6 CYS SG : rot -20:sc= 0.259 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 150:sc= -0.234 (180deg=-0.949) USER MOD Single : A 13 MET CE :methyl -117:sc= -2.07 (180deg=-2.28) USER MOD Single : A 16 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0667) USER MOD Single : A 17 LYS NZ :NH3+ 140:sc= -0.0421 (180deg=-0.365) USER MOD Single : A 18 HIS : no HE2:sc= -0.412 K(o=-0.41,f=-1.5) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= -0.061 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.00038) USER MOD Single : A 49 MET CE :methyl -119:sc= -0.13 (180deg=-1.87) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 61:sc= 0.298 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 6:sc= 0.345 USER MOD Single : A 65 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.0027) USER MOD Single : A 74 MET CE :methyl 145:sc= -0.208 (180deg=-3.08!) USER MOD Single : A 76 SER OG : rot 86:sc= 0.111 USER MOD Single : A 77 ASN : amide:sc= -1.76 K(o=-1.8,f=-4.3!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -1.77! X(o=-1.8!,f=-1.6) USER MOD Single : A 91 MET CE :methyl -142:sc= -1.42 (180deg=-2.21) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.0465 K(o=-0.047,f=-1.5!) USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl 162:sc= 0 (180deg=-0.435) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 172.256 -17.410 12.690 1.00 0.00 N ATOM 2 CA GLU A 1 172.405 -17.531 11.213 1.00 0.00 C ATOM 3 C GLU A 1 173.081 -16.297 10.623 1.00 0.00 C ATOM 4 O GLU A 1 172.926 -15.188 11.140 1.00 0.00 O ATOM 5 CB GLU A 1 171.016 -17.712 10.590 1.00 0.00 C ATOM 6 CG GLU A 1 170.987 -18.699 9.430 1.00 0.00 C ATOM 7 CD GLU A 1 169.713 -19.526 9.387 1.00 0.00 C ATOM 8 OE1 GLU A 1 169.219 -19.923 10.465 1.00 0.00 O ATOM 9 OE2 GLU A 1 169.210 -19.779 8.272 1.00 0.00 O ATOM 0 H1 GLU A 1 171.793 -18.263 13.063 1.00 0.00 H new ATOM 0 H2 GLU A 1 173.194 -17.306 13.126 1.00 0.00 H new ATOM 0 H3 GLU A 1 171.676 -16.576 12.913 1.00 0.00 H new ATOM 0 HA GLU A 1 173.034 -18.393 10.991 1.00 0.00 H new ATOM 0 HB2 GLU A 1 170.324 -18.051 11.361 1.00 0.00 H new ATOM 0 HB3 GLU A 1 170.656 -16.744 10.241 1.00 0.00 H new ATOM 0 HG2 GLU A 1 171.091 -18.153 8.492 1.00 0.00 H new ATOM 0 HG3 GLU A 1 171.845 -19.367 9.507 1.00 0.00 H new ATOM 18 N GLN A 2 173.822 -16.494 9.534 1.00 0.00 N ATOM 19 CA GLN A 2 174.515 -15.395 8.863 1.00 0.00 C ATOM 20 C GLN A 2 173.518 -14.354 8.356 1.00 0.00 C ATOM 21 O GLN A 2 173.756 -13.150 8.467 1.00 0.00 O ATOM 22 CB GLN A 2 175.354 -15.924 7.696 1.00 0.00 C ATOM 23 CG GLN A 2 176.364 -16.987 8.101 1.00 0.00 C ATOM 24 CD GLN A 2 176.497 -18.091 7.067 1.00 0.00 C ATOM 25 OE1 GLN A 2 177.551 -18.258 6.454 1.00 0.00 O ATOM 26 NE2 GLN A 2 175.425 -18.852 6.867 1.00 0.00 N ATOM 0 H GLN A 2 173.958 -17.405 9.097 1.00 0.00 H new ATOM 0 HA GLN A 2 175.176 -14.920 9.588 1.00 0.00 H new ATOM 0 HB2 GLN A 2 174.688 -16.338 6.939 1.00 0.00 H new ATOM 0 HB3 GLN A 2 175.883 -15.091 7.233 1.00 0.00 H new ATOM 0 HG2 GLN A 2 177.336 -16.519 8.254 1.00 0.00 H new ATOM 0 HG3 GLN A 2 176.065 -17.422 9.055 1.00 0.00 H new ATOM 0 HE21 GLN A 2 174.571 -18.679 7.397 1.00 0.00 H new ATOM 0 HE22 GLN A 2 175.457 -19.609 6.184 1.00 0.00 H new ATOM 35 N LEU A 3 172.395 -14.828 7.808 1.00 0.00 N ATOM 36 CA LEU A 3 171.353 -13.940 7.293 1.00 0.00 C ATOM 37 C LEU A 3 170.776 -13.067 8.409 1.00 0.00 C ATOM 38 O LEU A 3 170.492 -11.887 8.199 1.00 0.00 O ATOM 39 CB LEU A 3 170.236 -14.753 6.634 1.00 0.00 C ATOM 40 CG LEU A 3 170.474 -15.107 5.163 1.00 0.00 C ATOM 41 CD1 LEU A 3 169.961 -16.507 4.859 1.00 0.00 C ATOM 42 CD2 LEU A 3 169.812 -14.080 4.254 1.00 0.00 C ATOM 0 H LEU A 3 172.186 -15.822 7.710 1.00 0.00 H new ATOM 0 HA LEU A 3 171.806 -13.288 6.546 1.00 0.00 H new ATOM 0 HB2 LEU A 3 170.099 -15.676 7.197 1.00 0.00 H new ATOM 0 HB3 LEU A 3 169.305 -14.192 6.711 1.00 0.00 H new ATOM 0 HG LEU A 3 171.547 -15.090 4.973 1.00 0.00 H new ATOM 0 HD11 LEU A 3 170.139 -16.740 3.809 1.00 0.00 H new ATOM 0 HD12 LEU A 3 170.484 -17.230 5.485 1.00 0.00 H new ATOM 0 HD13 LEU A 3 168.892 -16.555 5.065 1.00 0.00 H new ATOM 0 HD21 LEU A 3 169.991 -14.347 3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 3 168.739 -14.063 4.445 1.00 0.00 H new ATOM 0 HD23 LEU A 3 170.231 -13.094 4.453 1.00 0.00 H new ATOM 54 N LYS A 4 170.615 -13.652 9.598 1.00 0.00 N ATOM 55 CA LYS A 4 170.084 -12.921 10.748 1.00 0.00 C ATOM 56 C LYS A 4 171.110 -11.914 11.273 1.00 0.00 C ATOM 57 O LYS A 4 170.747 -10.824 11.717 1.00 0.00 O ATOM 58 CB LYS A 4 169.689 -13.889 11.870 1.00 0.00 C ATOM 59 CG LYS A 4 168.355 -13.556 12.523 1.00 0.00 C ATOM 60 CD LYS A 4 168.445 -12.302 13.383 1.00 0.00 C ATOM 61 CE LYS A 4 167.366 -12.284 14.457 1.00 0.00 C ATOM 62 NZ LYS A 4 167.677 -11.317 15.550 1.00 0.00 N ATOM 0 H LYS A 4 170.844 -14.627 9.788 1.00 0.00 H new ATOM 0 HA LYS A 4 169.197 -12.380 10.418 1.00 0.00 H new ATOM 0 HB2 LYS A 4 169.643 -14.900 11.466 1.00 0.00 H new ATOM 0 HB3 LYS A 4 170.468 -13.885 12.632 1.00 0.00 H new ATOM 0 HG2 LYS A 4 167.598 -13.415 11.752 1.00 0.00 H new ATOM 0 HG3 LYS A 4 168.031 -14.396 13.137 1.00 0.00 H new ATOM 0 HD2 LYS A 4 169.428 -12.251 13.852 1.00 0.00 H new ATOM 0 HD3 LYS A 4 168.347 -11.419 12.752 1.00 0.00 H new ATOM 0 HE2 LYS A 4 166.409 -12.023 14.004 1.00 0.00 H new ATOM 0 HE3 LYS A 4 167.258 -13.284 14.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 166.916 -11.338 16.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 168.577 -11.580 16.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 167.755 -10.359 15.154 1.00 0.00 H new ATOM 76 N CYS A 5 172.392 -12.289 11.223 1.00 0.00 N ATOM 77 CA CYS A 5 173.472 -11.421 11.697 1.00 0.00 C ATOM 78 C CYS A 5 173.617 -10.183 10.811 1.00 0.00 C ATOM 79 O CYS A 5 173.660 -9.059 11.313 1.00 0.00 O ATOM 80 CB CYS A 5 174.798 -12.187 11.743 1.00 0.00 C ATOM 81 SG CYS A 5 175.848 -11.763 13.154 1.00 0.00 S ATOM 0 H CYS A 5 172.706 -13.188 10.859 1.00 0.00 H new ATOM 0 HA CYS A 5 173.215 -11.094 12.705 1.00 0.00 H new ATOM 0 HB2 CYS A 5 174.587 -13.256 11.769 1.00 0.00 H new ATOM 0 HB3 CYS A 5 175.349 -11.993 10.823 1.00 0.00 H new ATOM 0 HG CYS A 5 176.837 -12.604 13.227 1.00 0.00 H new ATOM 87 N CYS A 6 173.693 -10.394 9.493 1.00 0.00 N ATOM 88 CA CYS A 6 173.835 -9.284 8.546 1.00 0.00 C ATOM 89 C CYS A 6 172.627 -8.350 8.610 1.00 0.00 C ATOM 90 O CYS A 6 172.772 -7.130 8.509 1.00 0.00 O ATOM 91 CB CYS A 6 174.023 -9.803 7.115 1.00 0.00 C ATOM 92 SG CYS A 6 172.587 -10.669 6.435 1.00 0.00 S ATOM 0 H CYS A 6 173.659 -11.317 9.060 1.00 0.00 H new ATOM 0 HA CYS A 6 174.724 -8.721 8.831 1.00 0.00 H new ATOM 0 HB2 CYS A 6 174.265 -8.961 6.466 1.00 0.00 H new ATOM 0 HB3 CYS A 6 174.880 -10.476 7.096 1.00 0.00 H new ATOM 0 HG CYS A 6 171.818 -11.063 7.406 1.00 0.00 H new ATOM 98 N SER A 7 171.436 -8.929 8.788 1.00 0.00 N ATOM 99 CA SER A 7 170.204 -8.147 8.876 1.00 0.00 C ATOM 100 C SER A 7 170.234 -7.216 10.088 1.00 0.00 C ATOM 101 O SER A 7 169.739 -6.090 10.024 1.00 0.00 O ATOM 102 CB SER A 7 168.983 -9.070 8.956 1.00 0.00 C ATOM 103 OG SER A 7 168.483 -9.369 7.664 1.00 0.00 O ATOM 0 H SER A 7 171.301 -9.936 8.874 1.00 0.00 H new ATOM 0 HA SER A 7 170.128 -7.540 7.974 1.00 0.00 H new ATOM 0 HB2 SER A 7 169.255 -9.994 9.467 1.00 0.00 H new ATOM 0 HB3 SER A 7 168.203 -8.595 9.550 1.00 0.00 H new ATOM 0 HG SER A 7 167.706 -9.961 7.743 1.00 0.00 H new ATOM 109 N GLY A 8 170.827 -7.691 11.187 1.00 0.00 N ATOM 110 CA GLY A 8 170.923 -6.886 12.394 1.00 0.00 C ATOM 111 C GLY A 8 171.774 -5.645 12.194 1.00 0.00 C ATOM 112 O GLY A 8 171.418 -4.562 12.661 1.00 0.00 O ATOM 0 H GLY A 8 171.242 -8.620 11.260 1.00 0.00 H new ATOM 0 HA2 GLY A 8 169.923 -6.591 12.711 1.00 0.00 H new ATOM 0 HA3 GLY A 8 171.347 -7.489 13.197 1.00 0.00 H new ATOM 116 N ILE A 9 172.898 -5.801 11.491 1.00 0.00 N ATOM 117 CA ILE A 9 173.797 -4.679 11.223 1.00 0.00 C ATOM 118 C ILE A 9 173.104 -3.628 10.359 1.00 0.00 C ATOM 119 O ILE A 9 173.162 -2.434 10.655 1.00 0.00 O ATOM 120 CB ILE A 9 175.097 -5.136 10.523 1.00 0.00 C ATOM 121 CG1 ILE A 9 175.765 -6.271 11.309 1.00 0.00 C ATOM 122 CG2 ILE A 9 176.055 -3.961 10.362 1.00 0.00 C ATOM 123 CD1 ILE A 9 176.547 -7.231 10.439 1.00 0.00 C ATOM 0 H ILE A 9 173.206 -6.691 11.099 1.00 0.00 H new ATOM 0 HA ILE A 9 174.060 -4.246 12.188 1.00 0.00 H new ATOM 0 HB ILE A 9 174.840 -5.512 9.533 1.00 0.00 H new ATOM 0 HG12 ILE A 9 176.434 -5.841 12.054 1.00 0.00 H new ATOM 0 HG13 ILE A 9 174.999 -6.826 11.851 1.00 0.00 H new ATOM 0 HG21 ILE A 9 176.966 -4.299 9.867 1.00 0.00 H new ATOM 0 HG22 ILE A 9 175.582 -3.185 9.760 1.00 0.00 H new ATOM 0 HG23 ILE A 9 176.304 -3.557 11.343 1.00 0.00 H new ATOM 0 HD11 ILE A 9 176.992 -8.007 11.062 1.00 0.00 H new ATOM 0 HD12 ILE A 9 175.878 -7.689 9.711 1.00 0.00 H new ATOM 0 HD13 ILE A 9 177.335 -6.689 9.917 1.00 0.00 H new ATOM 135 N LEU A 10 172.437 -4.083 9.297 1.00 0.00 N ATOM 136 CA LEU A 10 171.719 -3.181 8.399 1.00 0.00 C ATOM 137 C LEU A 10 170.600 -2.448 9.143 1.00 0.00 C ATOM 138 O LEU A 10 170.330 -1.277 8.874 1.00 0.00 O ATOM 139 CB LEU A 10 171.137 -3.954 7.212 1.00 0.00 C ATOM 140 CG LEU A 10 172.155 -4.381 6.148 1.00 0.00 C ATOM 141 CD1 LEU A 10 171.767 -5.724 5.544 1.00 0.00 C ATOM 142 CD2 LEU A 10 172.272 -3.318 5.062 1.00 0.00 C ATOM 0 H LEU A 10 172.380 -5.068 9.039 1.00 0.00 H new ATOM 0 HA LEU A 10 172.430 -2.444 8.026 1.00 0.00 H new ATOM 0 HB2 LEU A 10 170.635 -4.845 7.590 1.00 0.00 H new ATOM 0 HB3 LEU A 10 170.375 -3.337 6.736 1.00 0.00 H new ATOM 0 HG LEU A 10 173.128 -4.490 6.628 1.00 0.00 H new ATOM 0 HD11 LEU A 10 172.501 -6.010 4.791 1.00 0.00 H new ATOM 0 HD12 LEU A 10 171.737 -6.481 6.328 1.00 0.00 H new ATOM 0 HD13 LEU A 10 170.784 -5.644 5.080 1.00 0.00 H new ATOM 0 HD21 LEU A 10 172.999 -3.639 4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 10 171.302 -3.176 4.586 1.00 0.00 H new ATOM 0 HD23 LEU A 10 172.599 -2.378 5.507 1.00 0.00 H new ATOM 154 N LYS A 11 169.953 -3.146 10.083 1.00 0.00 N ATOM 155 CA LYS A 11 168.866 -2.562 10.871 1.00 0.00 C ATOM 156 C LYS A 11 169.338 -1.328 11.641 1.00 0.00 C ATOM 157 O LYS A 11 168.563 -0.400 11.855 1.00 0.00 O ATOM 158 CB LYS A 11 168.291 -3.595 11.845 1.00 0.00 C ATOM 159 CG LYS A 11 167.140 -4.403 11.266 1.00 0.00 C ATOM 160 CD LYS A 11 166.927 -5.698 12.033 1.00 0.00 C ATOM 161 CE LYS A 11 165.737 -6.480 11.494 1.00 0.00 C ATOM 162 NZ LYS A 11 166.150 -7.761 10.853 1.00 0.00 N ATOM 0 H LYS A 11 170.165 -4.116 10.315 1.00 0.00 H new ATOM 0 HA LYS A 11 168.085 -2.254 10.176 1.00 0.00 H new ATOM 0 HB2 LYS A 11 169.085 -4.277 12.149 1.00 0.00 H new ATOM 0 HB3 LYS A 11 167.948 -3.083 12.744 1.00 0.00 H new ATOM 0 HG2 LYS A 11 166.227 -3.808 11.293 1.00 0.00 H new ATOM 0 HG3 LYS A 11 167.343 -4.628 10.219 1.00 0.00 H new ATOM 0 HD2 LYS A 11 167.826 -6.312 11.969 1.00 0.00 H new ATOM 0 HD3 LYS A 11 166.769 -5.475 13.088 1.00 0.00 H new ATOM 0 HE2 LYS A 11 165.043 -6.690 12.308 1.00 0.00 H new ATOM 0 HE3 LYS A 11 165.201 -5.869 10.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 165.390 -8.463 10.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 166.334 -7.600 9.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 167.014 -8.115 11.310 1.00 0.00 H new ATOM 176 N GLU A 12 170.612 -1.317 12.045 1.00 0.00 N ATOM 177 CA GLU A 12 171.182 -0.183 12.782 1.00 0.00 C ATOM 178 C GLU A 12 171.058 1.110 11.979 1.00 0.00 C ATOM 179 O GLU A 12 170.812 2.176 12.548 1.00 0.00 O ATOM 180 CB GLU A 12 172.651 -0.455 13.121 1.00 0.00 C ATOM 181 CG GLU A 12 173.107 0.175 14.430 1.00 0.00 C ATOM 182 CD GLU A 12 174.604 0.430 14.479 1.00 0.00 C ATOM 183 OE1 GLU A 12 175.153 0.971 13.494 1.00 0.00 O ATOM 184 OE2 GLU A 12 175.228 0.091 15.507 1.00 0.00 O ATOM 0 H GLU A 12 171.268 -2.079 11.875 1.00 0.00 H new ATOM 0 HA GLU A 12 170.620 -0.064 13.708 1.00 0.00 H new ATOM 0 HB2 GLU A 12 172.809 -1.532 13.173 1.00 0.00 H new ATOM 0 HB3 GLU A 12 173.276 -0.080 12.311 1.00 0.00 H new ATOM 0 HG2 GLU A 12 172.579 1.117 14.576 1.00 0.00 H new ATOM 0 HG3 GLU A 12 172.828 -0.478 15.257 1.00 0.00 H new ATOM 191 N MET A 13 171.215 1.008 10.657 1.00 0.00 N ATOM 192 CA MET A 13 171.098 2.172 9.781 1.00 0.00 C ATOM 193 C MET A 13 169.732 2.835 9.964 1.00 0.00 C ATOM 194 O MET A 13 169.620 4.059 9.930 1.00 0.00 O ATOM 195 CB MET A 13 171.287 1.769 8.315 1.00 0.00 C ATOM 196 CG MET A 13 172.625 1.106 8.024 1.00 0.00 C ATOM 197 SD MET A 13 172.552 -0.002 6.604 1.00 0.00 S ATOM 198 CE MET A 13 174.166 -0.771 6.693 1.00 0.00 C ATOM 0 H MET A 13 171.423 0.134 10.173 1.00 0.00 H new ATOM 0 HA MET A 13 171.880 2.882 10.051 1.00 0.00 H new ATOM 0 HB2 MET A 13 170.486 1.087 8.030 1.00 0.00 H new ATOM 0 HB3 MET A 13 171.189 2.656 7.689 1.00 0.00 H new ATOM 0 HG2 MET A 13 173.376 1.875 7.843 1.00 0.00 H new ATOM 0 HG3 MET A 13 172.948 0.546 8.902 1.00 0.00 H new ATOM 0 HE1 MET A 13 174.738 -0.521 5.800 1.00 0.00 H new ATOM 0 HE2 MET A 13 174.694 -0.409 7.575 1.00 0.00 H new ATOM 0 HE3 MET A 13 174.050 -1.853 6.758 1.00 0.00 H new ATOM 208 N PHE A 14 168.698 2.013 10.166 1.00 0.00 N ATOM 209 CA PHE A 14 167.340 2.514 10.368 1.00 0.00 C ATOM 210 C PHE A 14 166.847 2.250 11.801 1.00 0.00 C ATOM 211 O PHE A 14 165.648 2.329 12.074 1.00 0.00 O ATOM 212 CB PHE A 14 166.389 1.866 9.358 1.00 0.00 C ATOM 213 CG PHE A 14 165.890 2.823 8.312 1.00 0.00 C ATOM 214 CD1 PHE A 14 166.591 3.003 7.131 1.00 0.00 C ATOM 215 CD2 PHE A 14 164.721 3.542 8.509 1.00 0.00 C ATOM 216 CE1 PHE A 14 166.138 3.881 6.165 1.00 0.00 C ATOM 217 CE2 PHE A 14 164.263 4.422 7.547 1.00 0.00 C ATOM 218 CZ PHE A 14 164.972 4.592 6.373 1.00 0.00 C ATOM 0 H PHE A 14 168.778 0.997 10.194 1.00 0.00 H new ATOM 0 HA PHE A 14 167.354 3.593 10.214 1.00 0.00 H new ATOM 0 HB2 PHE A 14 166.900 1.037 8.868 1.00 0.00 H new ATOM 0 HB3 PHE A 14 165.537 1.444 9.891 1.00 0.00 H new ATOM 0 HD1 PHE A 14 167.503 2.450 6.963 1.00 0.00 H new ATOM 0 HD2 PHE A 14 164.162 3.413 9.424 1.00 0.00 H new ATOM 0 HE1 PHE A 14 166.695 4.011 5.249 1.00 0.00 H new ATOM 0 HE2 PHE A 14 163.351 4.977 7.713 1.00 0.00 H new ATOM 0 HZ PHE A 14 164.615 5.279 5.620 1.00 0.00 H new ATOM 228 N ALA A 15 167.777 1.948 12.716 1.00 0.00 N ATOM 229 CA ALA A 15 167.428 1.685 14.116 1.00 0.00 C ATOM 230 C ALA A 15 167.592 2.938 14.981 1.00 0.00 C ATOM 231 O ALA A 15 167.633 2.853 16.211 1.00 0.00 O ATOM 232 CB ALA A 15 168.280 0.550 14.669 1.00 0.00 C ATOM 0 H ALA A 15 168.774 1.880 12.512 1.00 0.00 H new ATOM 0 HA ALA A 15 166.379 1.392 14.147 1.00 0.00 H new ATOM 0 HB1 ALA A 15 168.010 0.366 15.709 1.00 0.00 H new ATOM 0 HB2 ALA A 15 168.107 -0.353 14.084 1.00 0.00 H new ATOM 0 HB3 ALA A 15 169.333 0.824 14.611 1.00 0.00 H new ATOM 238 N LYS A 16 167.696 4.097 14.325 1.00 0.00 N ATOM 239 CA LYS A 16 167.864 5.385 15.006 1.00 0.00 C ATOM 240 C LYS A 16 169.297 5.571 15.515 1.00 0.00 C ATOM 241 O LYS A 16 169.539 6.342 16.446 1.00 0.00 O ATOM 242 CB LYS A 16 166.862 5.534 16.162 1.00 0.00 C ATOM 243 CG LYS A 16 166.059 6.830 16.117 1.00 0.00 C ATOM 244 CD LYS A 16 166.951 8.055 16.282 1.00 0.00 C ATOM 245 CE LYS A 16 167.418 8.225 17.722 1.00 0.00 C ATOM 246 NZ LYS A 16 166.320 8.683 18.622 1.00 0.00 N ATOM 0 H LYS A 16 167.666 4.170 13.308 1.00 0.00 H new ATOM 0 HA LYS A 16 167.664 6.166 14.272 1.00 0.00 H new ATOM 0 HB2 LYS A 16 166.173 4.690 16.144 1.00 0.00 H new ATOM 0 HB3 LYS A 16 167.402 5.485 17.107 1.00 0.00 H new ATOM 0 HG2 LYS A 16 165.525 6.894 15.169 1.00 0.00 H new ATOM 0 HG3 LYS A 16 165.307 6.819 16.906 1.00 0.00 H new ATOM 0 HD2 LYS A 16 167.818 7.964 15.627 1.00 0.00 H new ATOM 0 HD3 LYS A 16 166.407 8.946 15.969 1.00 0.00 H new ATOM 0 HE2 LYS A 16 167.813 7.277 18.088 1.00 0.00 H new ATOM 0 HE3 LYS A 16 168.236 8.945 17.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 166.712 8.915 19.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 165.869 9.528 18.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 165.613 7.926 18.720 1.00 0.00 H new ATOM 260 N LYS A 17 170.244 4.873 14.889 1.00 0.00 N ATOM 261 CA LYS A 17 171.653 4.975 15.265 1.00 0.00 C ATOM 262 C LYS A 17 172.485 5.540 14.111 1.00 0.00 C ATOM 263 O LYS A 17 173.462 6.257 14.334 1.00 0.00 O ATOM 264 CB LYS A 17 172.189 3.607 15.689 1.00 0.00 C ATOM 265 CG LYS A 17 171.560 3.087 16.970 1.00 0.00 C ATOM 266 CD LYS A 17 171.807 1.598 17.149 1.00 0.00 C ATOM 267 CE LYS A 17 171.053 1.046 18.349 1.00 0.00 C ATOM 268 NZ LYS A 17 169.575 1.141 18.173 1.00 0.00 N ATOM 0 H LYS A 17 170.060 4.230 14.119 1.00 0.00 H new ATOM 0 HA LYS A 17 171.733 5.660 16.109 1.00 0.00 H new ATOM 0 HB2 LYS A 17 172.011 2.890 14.888 1.00 0.00 H new ATOM 0 HB3 LYS A 17 173.269 3.673 15.823 1.00 0.00 H new ATOM 0 HG2 LYS A 17 171.968 3.629 17.823 1.00 0.00 H new ATOM 0 HG3 LYS A 17 170.487 3.279 16.954 1.00 0.00 H new ATOM 0 HD2 LYS A 17 171.498 1.067 16.249 1.00 0.00 H new ATOM 0 HD3 LYS A 17 172.875 1.418 17.275 1.00 0.00 H new ATOM 0 HE2 LYS A 17 171.333 0.004 18.505 1.00 0.00 H new ATOM 0 HE3 LYS A 17 171.347 1.593 19.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 169.125 0.278 18.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 169.216 1.967 18.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 169.352 1.244 17.162 1.00 0.00 H new ATOM 282 N HIS A 18 172.081 5.225 12.878 1.00 0.00 N ATOM 283 CA HIS A 18 172.769 5.708 11.687 1.00 0.00 C ATOM 284 C HIS A 18 171.768 6.217 10.642 1.00 0.00 C ATOM 285 O HIS A 18 172.106 6.343 9.465 1.00 0.00 O ATOM 286 CB HIS A 18 173.626 4.591 11.084 1.00 0.00 C ATOM 287 CG HIS A 18 175.099 4.851 11.158 1.00 0.00 C ATOM 288 ND1 HIS A 18 175.727 5.322 12.291 1.00 0.00 N ATOM 289 CD2 HIS A 18 176.072 4.692 10.230 1.00 0.00 C ATOM 290 CE1 HIS A 18 177.022 5.438 12.058 1.00 0.00 C ATOM 291 NE2 HIS A 18 177.258 5.061 10.814 1.00 0.00 N ATOM 0 H HIS A 18 171.274 4.633 12.682 1.00 0.00 H new ATOM 0 HA HIS A 18 173.412 6.538 11.981 1.00 0.00 H new ATOM 0 HB2 HIS A 18 173.405 3.657 11.601 1.00 0.00 H new ATOM 0 HB3 HIS A 18 173.343 4.452 10.041 1.00 0.00 H new ATOM 0 HD1 HIS A 18 175.264 5.546 13.172 1.00 0.00 H new ATOM 0 HD2 HIS A 18 175.939 4.340 9.218 1.00 0.00 H new ATOM 0 HE1 HIS A 18 177.762 5.783 12.765 1.00 0.00 H new ATOM 300 N ALA A 19 170.536 6.507 11.076 1.00 0.00 N ATOM 301 CA ALA A 19 169.493 6.996 10.173 1.00 0.00 C ATOM 302 C ALA A 19 169.863 8.348 9.572 1.00 0.00 C ATOM 303 O ALA A 19 169.559 8.619 8.412 1.00 0.00 O ATOM 304 CB ALA A 19 168.159 7.086 10.899 1.00 0.00 C ATOM 0 H ALA A 19 170.239 6.411 12.047 1.00 0.00 H new ATOM 0 HA ALA A 19 169.401 6.281 9.355 1.00 0.00 H new ATOM 0 HB1 ALA A 19 167.395 7.451 10.213 1.00 0.00 H new ATOM 0 HB2 ALA A 19 167.876 6.099 11.264 1.00 0.00 H new ATOM 0 HB3 ALA A 19 168.249 7.773 11.741 1.00 0.00 H new ATOM 310 N ALA A 20 170.531 9.189 10.362 1.00 0.00 N ATOM 311 CA ALA A 20 170.951 10.510 9.891 1.00 0.00 C ATOM 312 C ALA A 20 171.906 10.393 8.701 1.00 0.00 C ATOM 313 O ALA A 20 171.934 11.264 7.830 1.00 0.00 O ATOM 314 CB ALA A 20 171.601 11.298 11.019 1.00 0.00 C ATOM 0 H ALA A 20 170.792 8.981 11.326 1.00 0.00 H new ATOM 0 HA ALA A 20 170.062 11.046 9.559 1.00 0.00 H new ATOM 0 HB1 ALA A 20 171.907 12.277 10.650 1.00 0.00 H new ATOM 0 HB2 ALA A 20 170.887 11.424 11.833 1.00 0.00 H new ATOM 0 HB3 ALA A 20 172.475 10.758 11.383 1.00 0.00 H new ATOM 320 N TYR A 21 172.681 9.307 8.666 1.00 0.00 N ATOM 321 CA TYR A 21 173.629 9.072 7.582 1.00 0.00 C ATOM 322 C TYR A 21 173.069 8.088 6.545 1.00 0.00 C ATOM 323 O TYR A 21 173.481 8.106 5.383 1.00 0.00 O ATOM 324 CB TYR A 21 174.948 8.540 8.145 1.00 0.00 C ATOM 325 CG TYR A 21 175.935 9.625 8.518 1.00 0.00 C ATOM 326 CD1 TYR A 21 175.718 10.442 9.622 1.00 0.00 C ATOM 327 CD2 TYR A 21 177.087 9.828 7.769 1.00 0.00 C ATOM 328 CE1 TYR A 21 176.621 11.431 9.965 1.00 0.00 C ATOM 329 CE2 TYR A 21 177.993 10.814 8.105 1.00 0.00 C ATOM 330 CZ TYR A 21 177.757 11.613 9.204 1.00 0.00 C ATOM 331 OH TYR A 21 178.659 12.595 9.542 1.00 0.00 O ATOM 0 H TYR A 21 172.668 8.577 9.378 1.00 0.00 H new ATOM 0 HA TYR A 21 173.804 10.024 7.081 1.00 0.00 H new ATOM 0 HB2 TYR A 21 174.738 7.934 9.027 1.00 0.00 H new ATOM 0 HB3 TYR A 21 175.408 7.882 7.408 1.00 0.00 H new ATOM 0 HD1 TYR A 21 174.830 10.302 10.221 1.00 0.00 H new ATOM 0 HD2 TYR A 21 177.277 9.204 6.909 1.00 0.00 H new ATOM 0 HE1 TYR A 21 176.438 12.058 10.825 1.00 0.00 H new ATOM 0 HE2 TYR A 21 178.883 10.959 7.510 1.00 0.00 H new ATOM 0 HH TYR A 21 179.403 12.589 8.905 1.00 0.00 H new ATOM 341 N ALA A 22 172.135 7.232 6.968 1.00 0.00 N ATOM 342 CA ALA A 22 171.527 6.243 6.074 1.00 0.00 C ATOM 343 C ALA A 22 170.311 6.807 5.332 1.00 0.00 C ATOM 344 O ALA A 22 169.869 6.228 4.339 1.00 0.00 O ATOM 345 CB ALA A 22 171.127 4.997 6.857 1.00 0.00 C ATOM 0 H ALA A 22 171.783 7.204 7.925 1.00 0.00 H new ATOM 0 HA ALA A 22 172.276 5.979 5.327 1.00 0.00 H new ATOM 0 HB1 ALA A 22 170.677 4.271 6.180 1.00 0.00 H new ATOM 0 HB2 ALA A 22 172.011 4.560 7.322 1.00 0.00 H new ATOM 0 HB3 ALA A 22 170.407 5.268 7.629 1.00 0.00 H new ATOM 351 N TRP A 23 169.774 7.933 5.811 1.00 0.00 N ATOM 352 CA TRP A 23 168.612 8.558 5.180 1.00 0.00 C ATOM 353 C TRP A 23 168.860 8.791 3.688 1.00 0.00 C ATOM 354 O TRP A 23 168.048 8.390 2.853 1.00 0.00 O ATOM 355 CB TRP A 23 168.270 9.881 5.877 1.00 0.00 C ATOM 356 CG TRP A 23 166.896 10.395 5.561 1.00 0.00 C ATOM 357 CD1 TRP A 23 165.706 9.891 6.003 1.00 0.00 C ATOM 358 CD2 TRP A 23 166.574 11.523 4.739 1.00 0.00 C ATOM 359 NE1 TRP A 23 164.665 10.638 5.508 1.00 0.00 N ATOM 360 CE2 TRP A 23 165.172 11.646 4.729 1.00 0.00 C ATOM 361 CE3 TRP A 23 167.336 12.443 4.013 1.00 0.00 C ATOM 362 CZ2 TRP A 23 164.518 12.651 4.021 1.00 0.00 C ATOM 363 CZ3 TRP A 23 166.685 13.439 3.310 1.00 0.00 C ATOM 364 CH2 TRP A 23 165.289 13.537 3.320 1.00 0.00 C ATOM 0 H TRP A 23 170.125 8.428 6.631 1.00 0.00 H new ATOM 0 HA TRP A 23 167.765 7.880 5.283 1.00 0.00 H new ATOM 0 HB2 TRP A 23 168.358 9.746 6.955 1.00 0.00 H new ATOM 0 HB3 TRP A 23 169.004 10.633 5.589 1.00 0.00 H new ATOM 0 HD1 TRP A 23 165.599 9.031 6.647 1.00 0.00 H new ATOM 0 HE1 TRP A 23 163.676 10.470 5.690 1.00 0.00 H new ATOM 0 HE3 TRP A 23 168.414 12.377 4.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 163.441 12.728 4.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 167.263 14.154 2.743 1.00 0.00 H new ATOM 0 HH2 TRP A 23 164.811 14.329 2.763 1.00 0.00 H new ATOM 375 N PRO A 24 169.988 9.441 3.330 1.00 0.00 N ATOM 376 CA PRO A 24 170.327 9.715 1.934 1.00 0.00 C ATOM 377 C PRO A 24 170.996 8.528 1.231 1.00 0.00 C ATOM 378 O PRO A 24 171.021 8.468 0.001 1.00 0.00 O ATOM 379 CB PRO A 24 171.299 10.883 2.051 1.00 0.00 C ATOM 380 CG PRO A 24 172.005 10.654 3.343 1.00 0.00 C ATOM 381 CD PRO A 24 171.021 9.963 4.253 1.00 0.00 C ATOM 0 HA PRO A 24 169.442 9.920 1.332 1.00 0.00 H new ATOM 0 HB2 PRO A 24 171.998 10.903 1.215 1.00 0.00 H new ATOM 0 HB3 PRO A 24 170.774 11.838 2.050 1.00 0.00 H new ATOM 0 HG2 PRO A 24 172.894 10.041 3.196 1.00 0.00 H new ATOM 0 HG3 PRO A 24 172.337 11.598 3.776 1.00 0.00 H new ATOM 0 HD2 PRO A 24 171.495 9.160 4.818 1.00 0.00 H new ATOM 0 HD3 PRO A 24 170.595 10.655 4.979 1.00 0.00 H new ATOM 389 N PHE A 25 171.542 7.591 2.013 1.00 0.00 N ATOM 390 CA PHE A 25 172.215 6.417 1.455 1.00 0.00 C ATOM 391 C PHE A 25 171.285 5.197 1.419 1.00 0.00 C ATOM 392 O PHE A 25 171.727 4.064 1.623 1.00 0.00 O ATOM 393 CB PHE A 25 173.477 6.098 2.267 1.00 0.00 C ATOM 394 CG PHE A 25 174.717 5.949 1.426 1.00 0.00 C ATOM 395 CD1 PHE A 25 175.032 4.732 0.839 1.00 0.00 C ATOM 396 CD2 PHE A 25 175.569 7.025 1.224 1.00 0.00 C ATOM 397 CE1 PHE A 25 176.171 4.593 0.069 1.00 0.00 C ATOM 398 CE2 PHE A 25 176.710 6.890 0.455 1.00 0.00 C ATOM 399 CZ PHE A 25 177.011 5.672 -0.123 1.00 0.00 C ATOM 0 H PHE A 25 171.530 7.624 3.032 1.00 0.00 H new ATOM 0 HA PHE A 25 172.497 6.650 0.428 1.00 0.00 H new ATOM 0 HB2 PHE A 25 173.638 6.890 2.998 1.00 0.00 H new ATOM 0 HB3 PHE A 25 173.315 5.176 2.826 1.00 0.00 H new ATOM 0 HD1 PHE A 25 174.380 3.884 0.985 1.00 0.00 H new ATOM 0 HD2 PHE A 25 175.338 7.980 1.673 1.00 0.00 H new ATOM 0 HE1 PHE A 25 176.404 3.640 -0.383 1.00 0.00 H new ATOM 0 HE2 PHE A 25 177.365 7.736 0.306 1.00 0.00 H new ATOM 0 HZ PHE A 25 177.902 5.564 -0.724 1.00 0.00 H new ATOM 409 N TYR A 26 169.999 5.432 1.146 1.00 0.00 N ATOM 410 CA TYR A 26 169.019 4.350 1.073 1.00 0.00 C ATOM 411 C TYR A 26 168.176 4.464 -0.197 1.00 0.00 C ATOM 412 O TYR A 26 168.145 3.541 -1.012 1.00 0.00 O ATOM 413 CB TYR A 26 168.115 4.354 2.310 1.00 0.00 C ATOM 414 CG TYR A 26 168.066 3.023 3.029 1.00 0.00 C ATOM 415 CD1 TYR A 26 167.332 1.960 2.515 1.00 0.00 C ATOM 416 CD2 TYR A 26 168.753 2.829 4.221 1.00 0.00 C ATOM 417 CE1 TYR A 26 167.284 0.743 3.169 1.00 0.00 C ATOM 418 CE2 TYR A 26 168.710 1.615 4.881 1.00 0.00 C ATOM 419 CZ TYR A 26 167.974 0.575 4.350 1.00 0.00 C ATOM 420 OH TYR A 26 167.926 -0.636 5.005 1.00 0.00 O ATOM 0 H TYR A 26 169.615 6.361 0.972 1.00 0.00 H new ATOM 0 HA TYR A 26 169.563 3.406 1.042 1.00 0.00 H new ATOM 0 HB2 TYR A 26 168.465 5.119 3.003 1.00 0.00 H new ATOM 0 HB3 TYR A 26 167.105 4.633 2.011 1.00 0.00 H new ATOM 0 HD1 TYR A 26 166.790 2.087 1.589 1.00 0.00 H new ATOM 0 HD2 TYR A 26 169.330 3.640 4.639 1.00 0.00 H new ATOM 0 HE1 TYR A 26 166.708 -0.072 2.756 1.00 0.00 H new ATOM 0 HE2 TYR A 26 169.249 1.481 5.807 1.00 0.00 H new ATOM 0 HH TYR A 26 168.467 -0.588 5.821 1.00 0.00 H new ATOM 430 N LYS A 27 167.496 5.601 -0.359 1.00 0.00 N ATOM 431 CA LYS A 27 166.655 5.838 -1.533 1.00 0.00 C ATOM 432 C LYS A 27 167.504 5.932 -2.806 1.00 0.00 C ATOM 433 O LYS A 27 168.573 6.548 -2.802 1.00 0.00 O ATOM 434 CB LYS A 27 165.842 7.124 -1.346 1.00 0.00 C ATOM 435 CG LYS A 27 164.906 7.442 -2.504 1.00 0.00 C ATOM 436 CD LYS A 27 164.638 8.936 -2.613 1.00 0.00 C ATOM 437 CE LYS A 27 163.818 9.448 -1.437 1.00 0.00 C ATOM 438 NZ LYS A 27 163.625 10.926 -1.491 1.00 0.00 N ATOM 0 H LYS A 27 167.512 6.372 0.309 1.00 0.00 H new ATOM 0 HA LYS A 27 165.972 4.995 -1.640 1.00 0.00 H new ATOM 0 HB2 LYS A 27 165.255 7.040 -0.431 1.00 0.00 H new ATOM 0 HB3 LYS A 27 166.529 7.959 -1.209 1.00 0.00 H new ATOM 0 HG2 LYS A 27 165.343 7.081 -3.435 1.00 0.00 H new ATOM 0 HG3 LYS A 27 163.964 6.912 -2.367 1.00 0.00 H new ATOM 0 HD2 LYS A 27 165.585 9.473 -2.658 1.00 0.00 H new ATOM 0 HD3 LYS A 27 164.109 9.144 -3.543 1.00 0.00 H new ATOM 0 HE2 LYS A 27 162.846 8.956 -1.431 1.00 0.00 H new ATOM 0 HE3 LYS A 27 164.316 9.181 -0.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 163.062 11.233 -0.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 164.551 11.398 -1.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 163.127 11.179 -2.368 1.00 0.00 H new ATOM 452 N PRO A 28 167.035 5.321 -3.915 1.00 0.00 N ATOM 453 CA PRO A 28 167.753 5.339 -5.198 1.00 0.00 C ATOM 454 C PRO A 28 167.899 6.750 -5.767 1.00 0.00 C ATOM 455 O PRO A 28 167.163 7.663 -5.385 1.00 0.00 O ATOM 456 CB PRO A 28 166.875 4.481 -6.119 1.00 0.00 C ATOM 457 CG PRO A 28 165.527 4.491 -5.486 1.00 0.00 C ATOM 458 CD PRO A 28 165.770 4.568 -4.007 1.00 0.00 C ATOM 0 HA PRO A 28 168.772 4.967 -5.093 1.00 0.00 H new ATOM 0 HB2 PRO A 28 166.840 4.893 -7.128 1.00 0.00 H new ATOM 0 HB3 PRO A 28 167.264 3.466 -6.202 1.00 0.00 H new ATOM 0 HG2 PRO A 28 164.940 5.342 -5.831 1.00 0.00 H new ATOM 0 HG3 PRO A 28 164.967 3.592 -5.744 1.00 0.00 H new ATOM 0 HD2 PRO A 28 164.958 5.080 -3.491 1.00 0.00 H new ATOM 0 HD3 PRO A 28 165.857 3.577 -3.561 1.00 0.00 H new ATOM 466 N VAL A 29 168.849 6.920 -6.686 1.00 0.00 N ATOM 467 CA VAL A 29 169.084 8.220 -7.310 1.00 0.00 C ATOM 468 C VAL A 29 168.214 8.388 -8.555 1.00 0.00 C ATOM 469 O VAL A 29 168.633 8.072 -9.670 1.00 0.00 O ATOM 470 CB VAL A 29 170.572 8.431 -7.679 1.00 0.00 C ATOM 471 CG1 VAL A 29 171.404 8.675 -6.428 1.00 0.00 C ATOM 472 CG2 VAL A 29 171.119 7.250 -8.472 1.00 0.00 C ATOM 0 H VAL A 29 169.466 6.176 -7.013 1.00 0.00 H new ATOM 0 HA VAL A 29 168.812 8.977 -6.574 1.00 0.00 H new ATOM 0 HB VAL A 29 170.638 9.314 -8.314 1.00 0.00 H new ATOM 0 HG11 VAL A 29 172.447 8.821 -6.708 1.00 0.00 H new ATOM 0 HG12 VAL A 29 171.038 9.564 -5.915 1.00 0.00 H new ATOM 0 HG13 VAL A 29 171.324 7.814 -5.764 1.00 0.00 H new ATOM 0 HG21 VAL A 29 172.166 7.429 -8.716 1.00 0.00 H new ATOM 0 HG22 VAL A 29 171.035 6.341 -7.876 1.00 0.00 H new ATOM 0 HG23 VAL A 29 170.547 7.134 -9.393 1.00 0.00 H new ATOM 482 N ASP A 30 166.993 8.884 -8.348 1.00 0.00 N ATOM 483 CA ASP A 30 166.046 9.097 -9.441 1.00 0.00 C ATOM 484 C ASP A 30 166.621 10.048 -10.490 1.00 0.00 C ATOM 485 O ASP A 30 166.679 11.259 -10.275 1.00 0.00 O ATOM 486 CB ASP A 30 164.728 9.658 -8.896 1.00 0.00 C ATOM 487 CG ASP A 30 163.832 8.581 -8.319 1.00 0.00 C ATOM 488 OD1 ASP A 30 164.086 8.145 -7.176 1.00 0.00 O ATOM 489 OD2 ASP A 30 162.874 8.173 -9.010 1.00 0.00 O ATOM 0 H ASP A 30 166.637 9.146 -7.429 1.00 0.00 H new ATOM 0 HA ASP A 30 165.859 8.135 -9.917 1.00 0.00 H new ATOM 0 HB2 ASP A 30 164.943 10.398 -8.125 1.00 0.00 H new ATOM 0 HB3 ASP A 30 164.199 10.176 -9.696 1.00 0.00 H new ATOM 494 N VAL A 31 167.048 9.491 -11.622 1.00 0.00 N ATOM 495 CA VAL A 31 167.623 10.292 -12.701 1.00 0.00 C ATOM 496 C VAL A 31 166.631 11.339 -13.221 1.00 0.00 C ATOM 497 O VAL A 31 167.027 12.452 -13.566 1.00 0.00 O ATOM 498 CB VAL A 31 168.111 9.406 -13.871 1.00 0.00 C ATOM 499 CG1 VAL A 31 166.957 8.641 -14.509 1.00 0.00 C ATOM 500 CG2 VAL A 31 168.844 10.243 -14.910 1.00 0.00 C ATOM 0 H VAL A 31 167.007 8.490 -11.816 1.00 0.00 H new ATOM 0 HA VAL A 31 168.483 10.811 -12.277 1.00 0.00 H new ATOM 0 HB VAL A 31 168.808 8.673 -13.464 1.00 0.00 H new ATOM 0 HG11 VAL A 31 167.335 8.028 -15.328 1.00 0.00 H new ATOM 0 HG12 VAL A 31 166.489 8.000 -13.762 1.00 0.00 H new ATOM 0 HG13 VAL A 31 166.221 9.347 -14.894 1.00 0.00 H new ATOM 0 HG21 VAL A 31 169.179 9.601 -15.724 1.00 0.00 H new ATOM 0 HG22 VAL A 31 168.172 11.006 -15.303 1.00 0.00 H new ATOM 0 HG23 VAL A 31 169.707 10.723 -14.448 1.00 0.00 H new ATOM 510 N GLU A 32 165.345 10.981 -13.272 1.00 0.00 N ATOM 511 CA GLU A 32 164.309 11.902 -13.744 1.00 0.00 C ATOM 512 C GLU A 32 164.041 13.014 -12.727 1.00 0.00 C ATOM 513 O GLU A 32 163.964 14.188 -13.091 1.00 0.00 O ATOM 514 CB GLU A 32 163.009 11.146 -14.043 1.00 0.00 C ATOM 515 CG GLU A 32 162.728 10.995 -15.532 1.00 0.00 C ATOM 516 CD GLU A 32 161.265 10.723 -15.841 1.00 0.00 C ATOM 517 OE1 GLU A 32 160.389 11.301 -15.161 1.00 0.00 O ATOM 518 OE2 GLU A 32 160.996 9.932 -16.769 1.00 0.00 O ATOM 0 H GLU A 32 164.998 10.063 -12.993 1.00 0.00 H new ATOM 0 HA GLU A 32 164.675 12.361 -14.663 1.00 0.00 H new ATOM 0 HB2 GLU A 32 163.059 10.157 -13.588 1.00 0.00 H new ATOM 0 HB3 GLU A 32 162.176 11.670 -13.575 1.00 0.00 H new ATOM 0 HG2 GLU A 32 163.039 11.904 -16.048 1.00 0.00 H new ATOM 0 HG3 GLU A 32 163.334 10.180 -15.929 1.00 0.00 H new ATOM 525 N ALA A 33 163.887 12.635 -11.456 1.00 0.00 N ATOM 526 CA ALA A 33 163.612 13.601 -10.390 1.00 0.00 C ATOM 527 C ALA A 33 164.838 14.448 -10.051 1.00 0.00 C ATOM 528 O ALA A 33 164.739 15.670 -9.935 1.00 0.00 O ATOM 529 CB ALA A 33 163.104 12.888 -9.142 1.00 0.00 C ATOM 0 H ALA A 33 163.948 11.667 -11.140 1.00 0.00 H new ATOM 0 HA ALA A 33 162.839 14.276 -10.758 1.00 0.00 H new ATOM 0 HB1 ALA A 33 162.905 13.621 -8.360 1.00 0.00 H new ATOM 0 HB2 ALA A 33 162.186 12.351 -9.378 1.00 0.00 H new ATOM 0 HB3 ALA A 33 163.858 12.182 -8.794 1.00 0.00 H new ATOM 535 N LEU A 34 165.987 13.797 -9.882 1.00 0.00 N ATOM 536 CA LEU A 34 167.225 14.500 -9.542 1.00 0.00 C ATOM 537 C LEU A 34 167.884 15.126 -10.772 1.00 0.00 C ATOM 538 O LEU A 34 168.683 16.055 -10.644 1.00 0.00 O ATOM 539 CB LEU A 34 168.208 13.542 -8.867 1.00 0.00 C ATOM 540 CG LEU A 34 167.716 12.915 -7.560 1.00 0.00 C ATOM 541 CD1 LEU A 34 168.541 11.683 -7.215 1.00 0.00 C ATOM 542 CD2 LEU A 34 167.768 13.935 -6.430 1.00 0.00 C ATOM 0 H LEU A 34 166.088 12.786 -9.974 1.00 0.00 H new ATOM 0 HA LEU A 34 166.962 15.305 -8.855 1.00 0.00 H new ATOM 0 HB2 LEU A 34 168.449 12.742 -9.567 1.00 0.00 H new ATOM 0 HB3 LEU A 34 169.135 14.080 -8.667 1.00 0.00 H new ATOM 0 HG LEU A 34 166.680 12.603 -7.692 1.00 0.00 H new ATOM 0 HD11 LEU A 34 168.177 11.251 -6.283 1.00 0.00 H new ATOM 0 HD12 LEU A 34 168.450 10.949 -8.015 1.00 0.00 H new ATOM 0 HD13 LEU A 34 169.587 11.966 -7.099 1.00 0.00 H new ATOM 0 HD21 LEU A 34 167.415 13.474 -5.507 1.00 0.00 H new ATOM 0 HD22 LEU A 34 168.794 14.277 -6.295 1.00 0.00 H new ATOM 0 HD23 LEU A 34 167.132 14.785 -6.677 1.00 0.00 H new ATOM 554 N GLY A 35 167.553 14.615 -11.959 1.00 0.00 N ATOM 555 CA GLY A 35 168.130 15.144 -13.184 1.00 0.00 C ATOM 556 C GLY A 35 169.610 14.833 -13.307 1.00 0.00 C ATOM 557 O GLY A 35 170.428 15.743 -13.441 1.00 0.00 O ATOM 0 H GLY A 35 166.897 13.846 -12.092 1.00 0.00 H new ATOM 0 HA2 GLY A 35 167.601 14.727 -14.041 1.00 0.00 H new ATOM 0 HA3 GLY A 35 167.985 16.224 -13.214 1.00 0.00 H new ATOM 561 N LEU A 36 169.955 13.545 -13.261 1.00 0.00 N ATOM 562 CA LEU A 36 171.350 13.122 -13.366 1.00 0.00 C ATOM 563 C LEU A 36 171.530 12.081 -14.472 1.00 0.00 C ATOM 564 O LEU A 36 171.882 10.929 -14.210 1.00 0.00 O ATOM 565 CB LEU A 36 171.859 12.570 -12.023 1.00 0.00 C ATOM 566 CG LEU A 36 170.831 11.803 -11.180 1.00 0.00 C ATOM 567 CD1 LEU A 36 170.824 10.326 -11.547 1.00 0.00 C ATOM 568 CD2 LEU A 36 171.126 11.981 -9.696 1.00 0.00 C ATOM 0 H LEU A 36 169.289 12.780 -13.152 1.00 0.00 H new ATOM 0 HA LEU A 36 171.942 14.000 -13.625 1.00 0.00 H new ATOM 0 HB2 LEU A 36 172.703 11.910 -12.220 1.00 0.00 H new ATOM 0 HB3 LEU A 36 172.237 13.403 -11.430 1.00 0.00 H new ATOM 0 HG LEU A 36 169.842 12.210 -11.391 1.00 0.00 H new ATOM 0 HD11 LEU A 36 170.088 9.803 -10.937 1.00 0.00 H new ATOM 0 HD12 LEU A 36 170.567 10.214 -12.600 1.00 0.00 H new ATOM 0 HD13 LEU A 36 171.812 9.902 -11.367 1.00 0.00 H new ATOM 0 HD21 LEU A 36 170.389 11.432 -9.110 1.00 0.00 H new ATOM 0 HD22 LEU A 36 172.123 11.600 -9.475 1.00 0.00 H new ATOM 0 HD23 LEU A 36 171.077 13.039 -9.440 1.00 0.00 H new ATOM 580 N HIS A 37 171.297 12.498 -15.717 1.00 0.00 N ATOM 581 CA HIS A 37 171.443 11.604 -16.867 1.00 0.00 C ATOM 582 C HIS A 37 172.899 11.164 -17.049 1.00 0.00 C ATOM 583 O HIS A 37 173.168 10.153 -17.700 1.00 0.00 O ATOM 584 CB HIS A 37 170.941 12.283 -18.143 1.00 0.00 C ATOM 585 CG HIS A 37 169.502 12.697 -18.074 1.00 0.00 C ATOM 586 ND1 HIS A 37 168.462 11.875 -18.455 1.00 0.00 N ATOM 587 CD2 HIS A 37 168.932 13.853 -17.658 1.00 0.00 C ATOM 588 CE1 HIS A 37 167.316 12.508 -18.277 1.00 0.00 C ATOM 589 NE2 HIS A 37 167.574 13.709 -17.795 1.00 0.00 N ATOM 0 H HIS A 37 171.007 13.447 -15.955 1.00 0.00 H new ATOM 0 HA HIS A 37 170.839 10.717 -16.674 1.00 0.00 H new ATOM 0 HB2 HIS A 37 171.554 13.162 -18.343 1.00 0.00 H new ATOM 0 HB3 HIS A 37 171.075 11.603 -18.984 1.00 0.00 H new ATOM 0 HD2 HIS A 37 169.450 14.725 -17.288 1.00 0.00 H new ATOM 0 HE1 HIS A 37 166.335 12.110 -18.490 1.00 0.00 H new ATOM 0 HE2 HIS A 37 166.877 14.416 -17.562 1.00 0.00 H new ATOM 598 N ASP A 38 173.833 11.920 -16.463 1.00 0.00 N ATOM 599 CA ASP A 38 175.254 11.596 -16.557 1.00 0.00 C ATOM 600 C ASP A 38 175.618 10.432 -15.634 1.00 0.00 C ATOM 601 O ASP A 38 176.646 9.782 -15.826 1.00 0.00 O ATOM 602 CB ASP A 38 176.107 12.819 -16.208 1.00 0.00 C ATOM 603 CG ASP A 38 176.027 13.906 -17.264 1.00 0.00 C ATOM 604 OD1 ASP A 38 175.020 14.645 -17.281 1.00 0.00 O ATOM 605 OD2 ASP A 38 176.973 14.019 -18.072 1.00 0.00 O ATOM 0 H ASP A 38 173.628 12.759 -15.920 1.00 0.00 H new ATOM 0 HA ASP A 38 175.458 11.298 -17.585 1.00 0.00 H new ATOM 0 HB2 ASP A 38 175.781 13.224 -15.250 1.00 0.00 H new ATOM 0 HB3 ASP A 38 177.145 12.511 -16.087 1.00 0.00 H new ATOM 610 N TYR A 39 174.770 10.165 -14.636 1.00 0.00 N ATOM 611 CA TYR A 39 175.009 9.072 -13.698 1.00 0.00 C ATOM 612 C TYR A 39 175.089 7.736 -14.432 1.00 0.00 C ATOM 613 O TYR A 39 175.946 6.909 -14.130 1.00 0.00 O ATOM 614 CB TYR A 39 173.903 9.023 -12.641 1.00 0.00 C ATOM 615 CG TYR A 39 174.387 8.606 -11.269 1.00 0.00 C ATOM 616 CD1 TYR A 39 174.892 9.542 -10.376 1.00 0.00 C ATOM 617 CD2 TYR A 39 174.337 7.276 -10.866 1.00 0.00 C ATOM 618 CE1 TYR A 39 175.333 9.168 -9.122 1.00 0.00 C ATOM 619 CE2 TYR A 39 174.776 6.894 -9.613 1.00 0.00 C ATOM 620 CZ TYR A 39 175.273 7.843 -8.745 1.00 0.00 C ATOM 621 OH TYR A 39 175.710 7.466 -7.495 1.00 0.00 O ATOM 0 H TYR A 39 173.914 10.692 -14.460 1.00 0.00 H new ATOM 0 HA TYR A 39 175.963 9.253 -13.203 1.00 0.00 H new ATOM 0 HB2 TYR A 39 173.439 10.006 -12.569 1.00 0.00 H new ATOM 0 HB3 TYR A 39 173.130 8.329 -12.970 1.00 0.00 H new ATOM 0 HD1 TYR A 39 174.941 10.581 -10.667 1.00 0.00 H new ATOM 0 HD2 TYR A 39 173.949 6.530 -11.543 1.00 0.00 H new ATOM 0 HE1 TYR A 39 175.723 9.909 -8.440 1.00 0.00 H new ATOM 0 HE2 TYR A 39 174.730 5.857 -9.315 1.00 0.00 H new ATOM 0 HH TYR A 39 175.598 6.498 -7.387 1.00 0.00 H new ATOM 631 N CYS A 40 174.198 7.533 -15.404 1.00 0.00 N ATOM 632 CA CYS A 40 174.186 6.297 -16.185 1.00 0.00 C ATOM 633 C CYS A 40 175.448 6.180 -17.044 1.00 0.00 C ATOM 634 O CYS A 40 175.944 5.078 -17.285 1.00 0.00 O ATOM 635 CB CYS A 40 172.938 6.227 -17.071 1.00 0.00 C ATOM 636 SG CYS A 40 172.359 4.545 -17.394 1.00 0.00 S ATOM 0 H CYS A 40 173.478 8.206 -15.668 1.00 0.00 H new ATOM 0 HA CYS A 40 174.165 5.461 -15.486 1.00 0.00 H new ATOM 0 HB2 CYS A 40 172.136 6.792 -16.596 1.00 0.00 H new ATOM 0 HB3 CYS A 40 173.152 6.715 -18.022 1.00 0.00 H new ATOM 0 HG CYS A 40 171.301 4.588 -18.148 1.00 0.00 H new ATOM 642 N ASP A 41 175.966 7.324 -17.502 1.00 0.00 N ATOM 643 CA ASP A 41 177.171 7.348 -18.328 1.00 0.00 C ATOM 644 C ASP A 41 178.420 7.112 -17.482 1.00 0.00 C ATOM 645 O ASP A 41 179.290 6.324 -17.854 1.00 0.00 O ATOM 646 CB ASP A 41 177.291 8.685 -19.071 1.00 0.00 C ATOM 647 CG ASP A 41 176.429 8.745 -20.320 1.00 0.00 C ATOM 648 OD1 ASP A 41 176.382 7.741 -21.064 1.00 0.00 O ATOM 649 OD2 ASP A 41 175.803 9.799 -20.555 1.00 0.00 O ATOM 0 H ASP A 41 175.568 8.244 -17.313 1.00 0.00 H new ATOM 0 HA ASP A 41 177.089 6.543 -19.058 1.00 0.00 H new ATOM 0 HB2 ASP A 41 177.006 9.495 -18.400 1.00 0.00 H new ATOM 0 HB3 ASP A 41 178.333 8.850 -19.346 1.00 0.00 H new ATOM 654 N ILE A 42 178.502 7.799 -16.343 1.00 0.00 N ATOM 655 CA ILE A 42 179.646 7.664 -15.444 1.00 0.00 C ATOM 656 C ILE A 42 179.601 6.339 -14.674 1.00 0.00 C ATOM 657 O ILE A 42 180.643 5.746 -14.390 1.00 0.00 O ATOM 658 CB ILE A 42 179.722 8.837 -14.441 1.00 0.00 C ATOM 659 CG1 ILE A 42 179.714 10.179 -15.182 1.00 0.00 C ATOM 660 CG2 ILE A 42 180.969 8.716 -13.575 1.00 0.00 C ATOM 661 CD1 ILE A 42 179.434 11.366 -14.286 1.00 0.00 C ATOM 0 H ILE A 42 177.790 8.454 -16.022 1.00 0.00 H new ATOM 0 HA ILE A 42 180.538 7.679 -16.071 1.00 0.00 H new ATOM 0 HB ILE A 42 178.845 8.795 -13.794 1.00 0.00 H new ATOM 0 HG12 ILE A 42 180.679 10.321 -15.668 1.00 0.00 H new ATOM 0 HG13 ILE A 42 178.962 10.144 -15.970 1.00 0.00 H new ATOM 0 HG21 ILE A 42 181.008 9.550 -12.874 1.00 0.00 H new ATOM 0 HG22 ILE A 42 180.938 7.778 -13.021 1.00 0.00 H new ATOM 0 HG23 ILE A 42 181.855 8.734 -14.209 1.00 0.00 H new ATOM 0 HD11 ILE A 42 179.444 12.280 -14.879 1.00 0.00 H new ATOM 0 HD12 ILE A 42 178.456 11.247 -13.819 1.00 0.00 H new ATOM 0 HD13 ILE A 42 180.200 11.427 -13.513 1.00 0.00 H new ATOM 673 N ILE A 43 178.392 5.882 -14.336 1.00 0.00 N ATOM 674 CA ILE A 43 178.220 4.631 -13.599 1.00 0.00 C ATOM 675 C ILE A 43 177.750 3.507 -14.522 1.00 0.00 C ATOM 676 O ILE A 43 176.598 3.495 -14.961 1.00 0.00 O ATOM 677 CB ILE A 43 177.207 4.788 -12.440 1.00 0.00 C ATOM 678 CG1 ILE A 43 177.556 6.008 -11.578 1.00 0.00 C ATOM 679 CG2 ILE A 43 177.161 3.524 -11.590 1.00 0.00 C ATOM 680 CD1 ILE A 43 178.910 5.915 -10.905 1.00 0.00 C ATOM 0 H ILE A 43 177.520 6.360 -14.562 1.00 0.00 H new ATOM 0 HA ILE A 43 179.195 4.375 -13.185 1.00 0.00 H new ATOM 0 HB ILE A 43 176.218 4.945 -12.870 1.00 0.00 H new ATOM 0 HG12 ILE A 43 177.532 6.901 -12.202 1.00 0.00 H new ATOM 0 HG13 ILE A 43 176.789 6.133 -10.814 1.00 0.00 H new ATOM 0 HG21 ILE A 43 176.443 3.656 -10.781 1.00 0.00 H new ATOM 0 HG22 ILE A 43 176.859 2.680 -12.210 1.00 0.00 H new ATOM 0 HG23 ILE A 43 178.149 3.331 -11.171 1.00 0.00 H new ATOM 0 HD11 ILE A 43 179.085 6.814 -10.314 1.00 0.00 H new ATOM 0 HD12 ILE A 43 178.933 5.042 -10.253 1.00 0.00 H new ATOM 0 HD13 ILE A 43 179.688 5.822 -11.663 1.00 0.00 H new ATOM 692 N LYS A 44 178.648 2.562 -14.809 1.00 0.00 N ATOM 693 CA LYS A 44 178.324 1.428 -15.679 1.00 0.00 C ATOM 694 C LYS A 44 177.319 0.481 -15.015 1.00 0.00 C ATOM 695 O LYS A 44 176.482 -0.116 -15.693 1.00 0.00 O ATOM 696 CB LYS A 44 179.593 0.654 -16.061 1.00 0.00 C ATOM 697 CG LYS A 44 180.410 0.179 -14.868 1.00 0.00 C ATOM 698 CD LYS A 44 181.554 -0.725 -15.298 1.00 0.00 C ATOM 699 CE LYS A 44 182.817 -0.438 -14.498 1.00 0.00 C ATOM 700 NZ LYS A 44 183.628 -1.668 -14.272 1.00 0.00 N ATOM 0 H LYS A 44 179.604 2.559 -14.453 1.00 0.00 H new ATOM 0 HA LYS A 44 177.869 1.833 -16.583 1.00 0.00 H new ATOM 0 HB2 LYS A 44 179.312 -0.210 -16.663 1.00 0.00 H new ATOM 0 HB3 LYS A 44 180.219 1.289 -16.688 1.00 0.00 H new ATOM 0 HG2 LYS A 44 180.808 1.041 -14.332 1.00 0.00 H new ATOM 0 HG3 LYS A 44 179.763 -0.357 -14.173 1.00 0.00 H new ATOM 0 HD2 LYS A 44 181.266 -1.768 -15.165 1.00 0.00 H new ATOM 0 HD3 LYS A 44 181.753 -0.582 -16.360 1.00 0.00 H new ATOM 0 HE2 LYS A 44 183.420 0.301 -15.025 1.00 0.00 H new ATOM 0 HE3 LYS A 44 182.546 -0.001 -13.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 184.478 -1.427 -13.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 183.063 -2.365 -13.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 183.910 -2.071 -15.188 1.00 0.00 H new ATOM 714 N HIS A 45 177.411 0.345 -13.691 1.00 0.00 N ATOM 715 CA HIS A 45 176.512 -0.531 -12.942 1.00 0.00 C ATOM 716 C HIS A 45 175.909 0.202 -11.740 1.00 0.00 C ATOM 717 O HIS A 45 176.464 0.169 -10.639 1.00 0.00 O ATOM 718 CB HIS A 45 177.263 -1.782 -12.475 1.00 0.00 C ATOM 719 CG HIS A 45 176.392 -2.995 -12.350 1.00 0.00 C ATOM 720 ND1 HIS A 45 176.296 -3.957 -13.335 1.00 0.00 N ATOM 721 CD2 HIS A 45 175.578 -3.404 -11.348 1.00 0.00 C ATOM 722 CE1 HIS A 45 175.461 -4.903 -12.943 1.00 0.00 C ATOM 723 NE2 HIS A 45 175.012 -4.591 -11.741 1.00 0.00 N ATOM 0 H HIS A 45 178.100 0.831 -13.116 1.00 0.00 H new ATOM 0 HA HIS A 45 175.698 -0.830 -13.602 1.00 0.00 H new ATOM 0 HB2 HIS A 45 178.069 -1.995 -13.178 1.00 0.00 H new ATOM 0 HB3 HIS A 45 177.727 -1.578 -11.510 1.00 0.00 H new ATOM 0 HD2 HIS A 45 175.406 -2.891 -10.413 1.00 0.00 H new ATOM 0 HE1 HIS A 45 175.191 -5.782 -13.509 1.00 0.00 H new ATOM 0 HE2 HIS A 45 174.352 -5.143 -11.193 1.00 0.00 H new ATOM 732 N PRO A 46 174.762 0.881 -11.940 1.00 0.00 N ATOM 733 CA PRO A 46 174.084 1.629 -10.871 1.00 0.00 C ATOM 734 C PRO A 46 173.446 0.713 -9.825 1.00 0.00 C ATOM 735 O PRO A 46 172.886 -0.333 -10.162 1.00 0.00 O ATOM 736 CB PRO A 46 173.011 2.423 -11.621 1.00 0.00 C ATOM 737 CG PRO A 46 172.734 1.619 -12.843 1.00 0.00 C ATOM 738 CD PRO A 46 174.039 0.978 -13.224 1.00 0.00 C ATOM 0 HA PRO A 46 174.779 2.252 -10.307 1.00 0.00 H new ATOM 0 HB2 PRO A 46 172.113 2.546 -11.015 1.00 0.00 H new ATOM 0 HB3 PRO A 46 173.363 3.423 -11.876 1.00 0.00 H new ATOM 0 HG2 PRO A 46 171.971 0.865 -12.649 1.00 0.00 H new ATOM 0 HG3 PRO A 46 172.360 2.251 -13.649 1.00 0.00 H new ATOM 0 HD2 PRO A 46 173.888 -0.003 -13.675 1.00 0.00 H new ATOM 0 HD3 PRO A 46 174.586 1.581 -13.948 1.00 0.00 H new ATOM 746 N MET A 47 173.542 1.113 -8.556 1.00 0.00 N ATOM 747 CA MET A 47 172.981 0.331 -7.453 1.00 0.00 C ATOM 748 C MET A 47 172.797 1.195 -6.207 1.00 0.00 C ATOM 749 O MET A 47 173.506 2.186 -6.016 1.00 0.00 O ATOM 750 CB MET A 47 173.895 -0.857 -7.128 1.00 0.00 C ATOM 751 CG MET A 47 173.145 -2.122 -6.741 1.00 0.00 C ATOM 752 SD MET A 47 174.198 -3.586 -6.770 1.00 0.00 S ATOM 753 CE MET A 47 173.445 -4.526 -8.096 1.00 0.00 C ATOM 0 H MET A 47 174.004 1.975 -8.266 1.00 0.00 H new ATOM 0 HA MET A 47 172.004 -0.039 -7.765 1.00 0.00 H new ATOM 0 HB2 MET A 47 174.522 -1.068 -7.994 1.00 0.00 H new ATOM 0 HB3 MET A 47 174.562 -0.578 -6.312 1.00 0.00 H new ATOM 0 HG2 MET A 47 172.725 -2.000 -5.743 1.00 0.00 H new ATOM 0 HG3 MET A 47 172.308 -2.267 -7.424 1.00 0.00 H new ATOM 0 HE1 MET A 47 174.146 -5.283 -8.449 1.00 0.00 H new ATOM 0 HE2 MET A 47 172.541 -5.012 -7.730 1.00 0.00 H new ATOM 0 HE3 MET A 47 173.190 -3.856 -8.917 1.00 0.00 H new ATOM 763 N ASP A 48 171.845 0.808 -5.358 1.00 0.00 N ATOM 764 CA ASP A 48 171.569 1.540 -4.125 1.00 0.00 C ATOM 765 C ASP A 48 171.103 0.591 -3.020 1.00 0.00 C ATOM 766 O ASP A 48 170.694 -0.539 -3.294 1.00 0.00 O ATOM 767 CB ASP A 48 170.518 2.631 -4.367 1.00 0.00 C ATOM 768 CG ASP A 48 169.312 2.126 -5.135 1.00 0.00 C ATOM 769 OD1 ASP A 48 168.355 1.650 -4.492 1.00 0.00 O ATOM 770 OD2 ASP A 48 169.327 2.202 -6.381 1.00 0.00 O ATOM 0 H ASP A 48 171.252 -0.009 -5.503 1.00 0.00 H new ATOM 0 HA ASP A 48 172.495 2.015 -3.802 1.00 0.00 H new ATOM 0 HB2 ASP A 48 170.190 3.032 -3.408 1.00 0.00 H new ATOM 0 HB3 ASP A 48 170.975 3.453 -4.917 1.00 0.00 H new ATOM 775 N MET A 49 171.176 1.057 -1.772 1.00 0.00 N ATOM 776 CA MET A 49 170.771 0.251 -0.619 1.00 0.00 C ATOM 777 C MET A 49 169.341 -0.274 -0.763 1.00 0.00 C ATOM 778 O MET A 49 169.058 -1.411 -0.389 1.00 0.00 O ATOM 779 CB MET A 49 170.894 1.059 0.674 1.00 0.00 C ATOM 780 CG MET A 49 171.453 0.257 1.839 1.00 0.00 C ATOM 781 SD MET A 49 173.216 0.534 2.092 1.00 0.00 S ATOM 782 CE MET A 49 173.183 1.751 3.406 1.00 0.00 C ATOM 0 H MET A 49 171.512 1.990 -1.534 1.00 0.00 H new ATOM 0 HA MET A 49 171.444 -0.606 -0.577 1.00 0.00 H new ATOM 0 HB2 MET A 49 171.537 1.921 0.495 1.00 0.00 H new ATOM 0 HB3 MET A 49 169.912 1.445 0.947 1.00 0.00 H new ATOM 0 HG2 MET A 49 170.914 0.521 2.749 1.00 0.00 H new ATOM 0 HG3 MET A 49 171.278 -0.804 1.661 1.00 0.00 H new ATOM 0 HE1 MET A 49 173.658 2.670 3.063 1.00 0.00 H new ATOM 0 HE2 MET A 49 172.150 1.959 3.684 1.00 0.00 H new ATOM 0 HE3 MET A 49 173.721 1.366 4.272 1.00 0.00 H new ATOM 792 N SER A 50 168.443 0.555 -1.303 1.00 0.00 N ATOM 793 CA SER A 50 167.047 0.156 -1.487 1.00 0.00 C ATOM 794 C SER A 50 166.935 -1.031 -2.446 1.00 0.00 C ATOM 795 O SER A 50 166.131 -1.939 -2.225 1.00 0.00 O ATOM 796 CB SER A 50 166.213 1.332 -2.010 1.00 0.00 C ATOM 797 OG SER A 50 164.857 0.959 -2.199 1.00 0.00 O ATOM 0 H SER A 50 168.657 1.501 -1.618 1.00 0.00 H new ATOM 0 HA SER A 50 166.658 -0.148 -0.515 1.00 0.00 H new ATOM 0 HB2 SER A 50 166.269 2.162 -1.306 1.00 0.00 H new ATOM 0 HB3 SER A 50 166.630 1.685 -2.953 1.00 0.00 H new ATOM 0 HG SER A 50 164.349 1.729 -2.531 1.00 0.00 H new ATOM 803 N THR A 51 167.744 -1.021 -3.508 1.00 0.00 N ATOM 804 CA THR A 51 167.727 -2.101 -4.492 1.00 0.00 C ATOM 805 C THR A 51 168.326 -3.383 -3.909 1.00 0.00 C ATOM 806 O THR A 51 167.806 -4.477 -4.142 1.00 0.00 O ATOM 807 CB THR A 51 168.480 -1.682 -5.762 1.00 0.00 C ATOM 808 OG1 THR A 51 167.831 -0.587 -6.387 1.00 0.00 O ATOM 809 CG2 THR A 51 168.589 -2.788 -6.792 1.00 0.00 C ATOM 0 H THR A 51 168.416 -0.279 -3.706 1.00 0.00 H new ATOM 0 HA THR A 51 166.689 -2.304 -4.756 1.00 0.00 H new ATOM 0 HB THR A 51 169.483 -1.418 -5.427 1.00 0.00 H new ATOM 0 HG1 THR A 51 167.816 0.178 -5.774 1.00 0.00 H new ATOM 0 HG21 THR A 51 169.133 -2.422 -7.663 1.00 0.00 H new ATOM 0 HG22 THR A 51 169.122 -3.635 -6.361 1.00 0.00 H new ATOM 0 HG23 THR A 51 167.590 -3.104 -7.094 1.00 0.00 H new ATOM 817 N ILE A 52 169.412 -3.248 -3.143 1.00 0.00 N ATOM 818 CA ILE A 52 170.060 -4.406 -2.529 1.00 0.00 C ATOM 819 C ILE A 52 169.181 -4.998 -1.424 1.00 0.00 C ATOM 820 O ILE A 52 169.007 -6.215 -1.347 1.00 0.00 O ATOM 821 CB ILE A 52 171.448 -4.057 -1.942 1.00 0.00 C ATOM 822 CG1 ILE A 52 172.316 -3.337 -2.981 1.00 0.00 C ATOM 823 CG2 ILE A 52 172.149 -5.319 -1.453 1.00 0.00 C ATOM 824 CD1 ILE A 52 173.381 -2.452 -2.370 1.00 0.00 C ATOM 0 H ILE A 52 169.857 -2.354 -2.935 1.00 0.00 H new ATOM 0 HA ILE A 52 170.200 -5.141 -3.322 1.00 0.00 H new ATOM 0 HB ILE A 52 171.300 -3.386 -1.096 1.00 0.00 H new ATOM 0 HG12 ILE A 52 172.794 -4.079 -3.620 1.00 0.00 H new ATOM 0 HG13 ILE A 52 171.675 -2.731 -3.621 1.00 0.00 H new ATOM 0 HG21 ILE A 52 173.124 -5.058 -1.043 1.00 0.00 H new ATOM 0 HG22 ILE A 52 171.545 -5.794 -0.680 1.00 0.00 H new ATOM 0 HG23 ILE A 52 172.279 -6.009 -2.287 1.00 0.00 H new ATOM 0 HD11 ILE A 52 173.957 -1.975 -3.163 1.00 0.00 H new ATOM 0 HD12 ILE A 52 172.909 -1.687 -1.754 1.00 0.00 H new ATOM 0 HD13 ILE A 52 174.046 -3.056 -1.753 1.00 0.00 H new ATOM 836 N LYS A 53 168.620 -4.133 -0.577 1.00 0.00 N ATOM 837 CA LYS A 53 167.754 -4.582 0.512 1.00 0.00 C ATOM 838 C LYS A 53 166.501 -5.268 -0.029 1.00 0.00 C ATOM 839 O LYS A 53 166.005 -6.218 0.573 1.00 0.00 O ATOM 840 CB LYS A 53 167.351 -3.408 1.414 1.00 0.00 C ATOM 841 CG LYS A 53 168.041 -3.410 2.770 1.00 0.00 C ATOM 842 CD LYS A 53 167.529 -4.534 3.662 1.00 0.00 C ATOM 843 CE LYS A 53 166.796 -3.993 4.882 1.00 0.00 C ATOM 844 NZ LYS A 53 165.335 -3.817 4.632 1.00 0.00 N ATOM 0 H LYS A 53 168.750 -3.122 -0.624 1.00 0.00 H new ATOM 0 HA LYS A 53 168.321 -5.302 1.103 1.00 0.00 H new ATOM 0 HB2 LYS A 53 167.580 -2.473 0.902 1.00 0.00 H new ATOM 0 HB3 LYS A 53 166.272 -3.432 1.566 1.00 0.00 H new ATOM 0 HG2 LYS A 53 169.117 -3.518 2.631 1.00 0.00 H new ATOM 0 HG3 LYS A 53 167.878 -2.452 3.263 1.00 0.00 H new ATOM 0 HD2 LYS A 53 166.860 -5.177 3.090 1.00 0.00 H new ATOM 0 HD3 LYS A 53 168.366 -5.153 3.985 1.00 0.00 H new ATOM 0 HE2 LYS A 53 166.940 -4.674 5.721 1.00 0.00 H new ATOM 0 HE3 LYS A 53 167.231 -3.036 5.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 164.878 -3.447 5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 165.195 -3.147 3.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 164.912 -4.734 4.383 1.00 0.00 H new ATOM 858 N SER A 54 165.991 -4.782 -1.167 1.00 0.00 N ATOM 859 CA SER A 54 164.790 -5.356 -1.778 1.00 0.00 C ATOM 860 C SER A 54 164.979 -6.845 -2.069 1.00 0.00 C ATOM 861 O SER A 54 164.090 -7.653 -1.791 1.00 0.00 O ATOM 862 CB SER A 54 164.430 -4.611 -3.068 1.00 0.00 C ATOM 863 OG SER A 54 163.029 -4.629 -3.297 1.00 0.00 O ATOM 0 H SER A 54 166.390 -3.996 -1.680 1.00 0.00 H new ATOM 0 HA SER A 54 163.971 -5.245 -1.067 1.00 0.00 H new ATOM 0 HB2 SER A 54 164.778 -3.580 -3.005 1.00 0.00 H new ATOM 0 HB3 SER A 54 164.945 -5.070 -3.912 1.00 0.00 H new ATOM 0 HG SER A 54 162.827 -4.145 -4.125 1.00 0.00 H new ATOM 869 N LYS A 55 166.142 -7.209 -2.615 1.00 0.00 N ATOM 870 CA LYS A 55 166.436 -8.609 -2.920 1.00 0.00 C ATOM 871 C LYS A 55 166.400 -9.444 -1.641 1.00 0.00 C ATOM 872 O LYS A 55 165.738 -10.479 -1.582 1.00 0.00 O ATOM 873 CB LYS A 55 167.805 -8.741 -3.599 1.00 0.00 C ATOM 874 CG LYS A 55 167.734 -8.773 -5.119 1.00 0.00 C ATOM 875 CD LYS A 55 168.266 -7.487 -5.735 1.00 0.00 C ATOM 876 CE LYS A 55 169.775 -7.363 -5.566 1.00 0.00 C ATOM 877 NZ LYS A 55 170.414 -6.665 -6.718 1.00 0.00 N ATOM 0 H LYS A 55 166.890 -6.558 -2.853 1.00 0.00 H new ATOM 0 HA LYS A 55 165.675 -8.979 -3.607 1.00 0.00 H new ATOM 0 HB2 LYS A 55 168.435 -7.907 -3.291 1.00 0.00 H new ATOM 0 HB3 LYS A 55 168.289 -9.652 -3.247 1.00 0.00 H new ATOM 0 HG2 LYS A 55 168.309 -9.620 -5.492 1.00 0.00 H new ATOM 0 HG3 LYS A 55 166.701 -8.926 -5.432 1.00 0.00 H new ATOM 0 HD2 LYS A 55 168.015 -7.461 -6.795 1.00 0.00 H new ATOM 0 HD3 LYS A 55 167.776 -6.631 -5.270 1.00 0.00 H new ATOM 0 HE2 LYS A 55 169.993 -6.819 -4.647 1.00 0.00 H new ATOM 0 HE3 LYS A 55 170.210 -8.357 -5.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 171.440 -6.603 -6.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 170.229 -7.197 -7.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 170.019 -5.707 -6.806 1.00 0.00 H new ATOM 891 N LEU A 56 167.105 -8.971 -0.613 1.00 0.00 N ATOM 892 CA LEU A 56 167.146 -9.657 0.677 1.00 0.00 C ATOM 893 C LEU A 56 165.751 -9.702 1.312 1.00 0.00 C ATOM 894 O LEU A 56 165.398 -10.676 1.979 1.00 0.00 O ATOM 895 CB LEU A 56 168.146 -8.957 1.610 1.00 0.00 C ATOM 896 CG LEU A 56 168.065 -9.340 3.094 1.00 0.00 C ATOM 897 CD1 LEU A 56 168.411 -10.810 3.294 1.00 0.00 C ATOM 898 CD2 LEU A 56 168.992 -8.459 3.919 1.00 0.00 C ATOM 0 H LEU A 56 167.656 -8.114 -0.650 1.00 0.00 H new ATOM 0 HA LEU A 56 167.475 -10.684 0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 56 169.154 -9.170 1.255 1.00 0.00 H new ATOM 0 HB3 LEU A 56 167.999 -7.880 1.525 1.00 0.00 H new ATOM 0 HG LEU A 56 167.041 -9.183 3.432 1.00 0.00 H new ATOM 0 HD11 LEU A 56 168.347 -11.058 4.353 1.00 0.00 H new ATOM 0 HD12 LEU A 56 167.710 -11.428 2.733 1.00 0.00 H new ATOM 0 HD13 LEU A 56 169.424 -10.997 2.938 1.00 0.00 H new ATOM 0 HD21 LEU A 56 168.924 -8.742 4.969 1.00 0.00 H new ATOM 0 HD22 LEU A 56 170.018 -8.587 3.574 1.00 0.00 H new ATOM 0 HD23 LEU A 56 168.699 -7.415 3.805 1.00 0.00 H new ATOM 910 N GLU A 57 164.959 -8.646 1.089 1.00 0.00 N ATOM 911 CA GLU A 57 163.599 -8.565 1.630 1.00 0.00 C ATOM 912 C GLU A 57 162.729 -9.712 1.113 1.00 0.00 C ATOM 913 O GLU A 57 161.931 -10.279 1.860 1.00 0.00 O ATOM 914 CB GLU A 57 162.954 -7.224 1.267 1.00 0.00 C ATOM 915 CG GLU A 57 163.519 -6.048 2.046 1.00 0.00 C ATOM 916 CD GLU A 57 162.452 -5.270 2.790 1.00 0.00 C ATOM 917 OE1 GLU A 57 162.010 -5.740 3.858 1.00 0.00 O ATOM 918 OE2 GLU A 57 162.061 -4.188 2.304 1.00 0.00 O ATOM 0 H GLU A 57 165.238 -7.835 0.537 1.00 0.00 H new ATOM 0 HA GLU A 57 163.670 -8.646 2.715 1.00 0.00 H new ATOM 0 HB2 GLU A 57 163.089 -7.042 0.201 1.00 0.00 H new ATOM 0 HB3 GLU A 57 161.881 -7.286 1.446 1.00 0.00 H new ATOM 0 HG2 GLU A 57 164.260 -6.412 2.758 1.00 0.00 H new ATOM 0 HG3 GLU A 57 164.038 -5.379 1.360 1.00 0.00 H new ATOM 925 N ALA A 58 162.891 -10.051 -0.169 1.00 0.00 N ATOM 926 CA ALA A 58 162.120 -11.134 -0.784 1.00 0.00 C ATOM 927 C ALA A 58 162.829 -12.492 -0.651 1.00 0.00 C ATOM 928 O ALA A 58 162.478 -13.447 -1.346 1.00 0.00 O ATOM 929 CB ALA A 58 161.848 -10.818 -2.250 1.00 0.00 C ATOM 0 H ALA A 58 163.548 -9.592 -0.800 1.00 0.00 H new ATOM 0 HA ALA A 58 161.172 -11.208 -0.250 1.00 0.00 H new ATOM 0 HB1 ALA A 58 161.274 -11.630 -2.697 1.00 0.00 H new ATOM 0 HB2 ALA A 58 161.281 -9.890 -2.323 1.00 0.00 H new ATOM 0 HB3 ALA A 58 162.794 -10.708 -2.780 1.00 0.00 H new ATOM 935 N ARG A 59 163.829 -12.573 0.239 1.00 0.00 N ATOM 936 CA ARG A 59 164.587 -13.810 0.456 1.00 0.00 C ATOM 937 C ARG A 59 165.342 -14.238 -0.808 1.00 0.00 C ATOM 938 O ARG A 59 165.619 -15.423 -1.001 1.00 0.00 O ATOM 939 CB ARG A 59 163.661 -14.943 0.922 1.00 0.00 C ATOM 940 CG ARG A 59 163.545 -15.054 2.434 1.00 0.00 C ATOM 941 CD ARG A 59 163.670 -16.498 2.903 1.00 0.00 C ATOM 942 NE ARG A 59 164.267 -16.595 4.235 1.00 0.00 N ATOM 943 CZ ARG A 59 165.548 -16.324 4.502 1.00 0.00 C ATOM 944 NH1 ARG A 59 166.367 -15.912 3.535 1.00 0.00 N ATOM 945 NH2 ARG A 59 166.011 -16.459 5.740 1.00 0.00 N ATOM 0 H ARG A 59 164.131 -11.792 0.821 1.00 0.00 H new ATOM 0 HA ARG A 59 165.320 -13.607 1.237 1.00 0.00 H new ATOM 0 HB2 ARG A 59 162.668 -14.785 0.501 1.00 0.00 H new ATOM 0 HB3 ARG A 59 164.030 -15.889 0.524 1.00 0.00 H new ATOM 0 HG2 ARG A 59 164.321 -14.450 2.904 1.00 0.00 H new ATOM 0 HG3 ARG A 59 162.586 -14.648 2.756 1.00 0.00 H new ATOM 0 HD2 ARG A 59 162.684 -16.962 2.914 1.00 0.00 H new ATOM 0 HD3 ARG A 59 164.278 -17.058 2.192 1.00 0.00 H new ATOM 0 HE ARG A 59 163.669 -16.888 5.008 1.00 0.00 H new ATOM 0 HH11 ARG A 59 166.017 -15.802 2.583 1.00 0.00 H new ATOM 0 HH12 ARG A 59 167.344 -15.707 3.747 1.00 0.00 H new ATOM 0 HH21 ARG A 59 165.389 -16.769 6.486 1.00 0.00 H new ATOM 0 HH22 ARG A 59 166.989 -16.252 5.944 1.00 0.00 H new ATOM 959 N GLU A 60 165.685 -13.268 -1.657 1.00 0.00 N ATOM 960 CA GLU A 60 166.417 -13.552 -2.891 1.00 0.00 C ATOM 961 C GLU A 60 167.892 -13.830 -2.597 1.00 0.00 C ATOM 962 O GLU A 60 168.520 -14.656 -3.262 1.00 0.00 O ATOM 963 CB GLU A 60 166.290 -12.385 -3.878 1.00 0.00 C ATOM 964 CG GLU A 60 164.856 -12.091 -4.306 1.00 0.00 C ATOM 965 CD GLU A 60 164.747 -11.630 -5.751 1.00 0.00 C ATOM 966 OE1 GLU A 60 165.472 -12.175 -6.611 1.00 0.00 O ATOM 967 OE2 GLU A 60 163.931 -10.724 -6.021 1.00 0.00 O ATOM 0 H GLU A 60 165.468 -12.282 -1.513 1.00 0.00 H new ATOM 0 HA GLU A 60 165.978 -14.442 -3.343 1.00 0.00 H new ATOM 0 HB2 GLU A 60 166.714 -11.490 -3.423 1.00 0.00 H new ATOM 0 HB3 GLU A 60 166.885 -12.605 -4.764 1.00 0.00 H new ATOM 0 HG2 GLU A 60 164.252 -12.988 -4.171 1.00 0.00 H new ATOM 0 HG3 GLU A 60 164.439 -11.324 -3.654 1.00 0.00 H new ATOM 974 N TYR A 61 168.436 -13.143 -1.590 1.00 0.00 N ATOM 975 CA TYR A 61 169.831 -13.326 -1.202 1.00 0.00 C ATOM 976 C TYR A 61 169.996 -14.599 -0.378 1.00 0.00 C ATOM 977 O TYR A 61 169.722 -14.616 0.824 1.00 0.00 O ATOM 978 CB TYR A 61 170.333 -12.112 -0.415 1.00 0.00 C ATOM 979 CG TYR A 61 170.844 -10.991 -1.293 1.00 0.00 C ATOM 980 CD1 TYR A 61 171.884 -11.204 -2.191 1.00 0.00 C ATOM 981 CD2 TYR A 61 170.285 -9.720 -1.229 1.00 0.00 C ATOM 982 CE1 TYR A 61 172.353 -10.184 -2.995 1.00 0.00 C ATOM 983 CE2 TYR A 61 170.750 -8.696 -2.031 1.00 0.00 C ATOM 984 CZ TYR A 61 171.782 -8.931 -2.912 1.00 0.00 C ATOM 985 OH TYR A 61 172.243 -7.905 -3.708 1.00 0.00 O ATOM 0 H TYR A 61 167.930 -12.456 -1.031 1.00 0.00 H new ATOM 0 HA TYR A 61 170.429 -13.422 -2.108 1.00 0.00 H new ATOM 0 HB2 TYR A 61 169.523 -11.734 0.209 1.00 0.00 H new ATOM 0 HB3 TYR A 61 171.131 -12.429 0.256 1.00 0.00 H new ATOM 0 HD1 TYR A 61 172.333 -12.184 -2.261 1.00 0.00 H new ATOM 0 HD2 TYR A 61 169.474 -9.530 -0.541 1.00 0.00 H new ATOM 0 HE1 TYR A 61 173.163 -10.366 -3.686 1.00 0.00 H new ATOM 0 HE2 TYR A 61 170.305 -7.714 -1.967 1.00 0.00 H new ATOM 0 HH TYR A 61 172.912 -8.252 -4.334 1.00 0.00 H new ATOM 995 N ARG A 62 170.445 -15.665 -1.041 1.00 0.00 N ATOM 996 CA ARG A 62 170.653 -16.954 -0.386 1.00 0.00 C ATOM 997 C ARG A 62 171.637 -16.828 0.779 1.00 0.00 C ATOM 998 O ARG A 62 171.514 -17.536 1.779 1.00 0.00 O ATOM 999 CB ARG A 62 171.165 -17.985 -1.396 1.00 0.00 C ATOM 1000 CG ARG A 62 170.765 -19.416 -1.067 1.00 0.00 C ATOM 1001 CD ARG A 62 171.662 -20.423 -1.770 1.00 0.00 C ATOM 1002 NE ARG A 62 171.408 -21.795 -1.325 1.00 0.00 N ATOM 1003 CZ ARG A 62 172.255 -22.812 -1.513 1.00 0.00 C ATOM 1004 NH1 ARG A 62 173.409 -22.621 -2.148 1.00 0.00 N ATOM 1005 NH2 ARG A 62 171.944 -24.026 -1.069 1.00 0.00 N ATOM 0 H ARG A 62 170.672 -15.659 -2.035 1.00 0.00 H new ATOM 0 HA ARG A 62 169.695 -17.289 0.012 1.00 0.00 H new ATOM 0 HB2 ARG A 62 170.786 -17.730 -2.386 1.00 0.00 H new ATOM 0 HB3 ARG A 62 172.252 -17.923 -1.445 1.00 0.00 H new ATOM 0 HG2 ARG A 62 170.818 -19.571 0.011 1.00 0.00 H new ATOM 0 HG3 ARG A 62 169.729 -19.582 -1.362 1.00 0.00 H new ATOM 0 HD2 ARG A 62 171.505 -20.357 -2.847 1.00 0.00 H new ATOM 0 HD3 ARG A 62 172.706 -20.170 -1.584 1.00 0.00 H new ATOM 0 HE ARG A 62 170.530 -21.986 -0.842 1.00 0.00 H new ATOM 0 HH11 ARG A 62 173.653 -21.693 -2.495 1.00 0.00 H new ATOM 0 HH12 ARG A 62 174.050 -23.402 -2.287 1.00 0.00 H new ATOM 0 HH21 ARG A 62 171.060 -24.181 -0.585 1.00 0.00 H new ATOM 0 HH22 ARG A 62 172.590 -24.802 -1.212 1.00 0.00 H new ATOM 1019 N ASP A 63 172.606 -15.918 0.645 1.00 0.00 N ATOM 1020 CA ASP A 63 173.606 -15.696 1.690 1.00 0.00 C ATOM 1021 C ASP A 63 174.028 -14.229 1.743 1.00 0.00 C ATOM 1022 O ASP A 63 173.722 -13.449 0.837 1.00 0.00 O ATOM 1023 CB ASP A 63 174.838 -16.584 1.459 1.00 0.00 C ATOM 1024 CG ASP A 63 175.343 -16.536 0.028 1.00 0.00 C ATOM 1025 OD1 ASP A 63 175.695 -15.434 -0.444 1.00 0.00 O ATOM 1026 OD2 ASP A 63 175.387 -17.602 -0.621 1.00 0.00 O ATOM 0 H ASP A 63 172.718 -15.324 -0.177 1.00 0.00 H new ATOM 0 HA ASP A 63 173.152 -15.961 2.645 1.00 0.00 H new ATOM 0 HB2 ASP A 63 175.637 -16.270 2.131 1.00 0.00 H new ATOM 0 HB3 ASP A 63 174.591 -17.614 1.717 1.00 0.00 H new ATOM 1031 N ALA A 64 174.746 -13.865 2.808 1.00 0.00 N ATOM 1032 CA ALA A 64 175.229 -12.497 2.982 1.00 0.00 C ATOM 1033 C ALA A 64 176.385 -12.188 2.027 1.00 0.00 C ATOM 1034 O ALA A 64 176.709 -11.022 1.796 1.00 0.00 O ATOM 1035 CB ALA A 64 175.655 -12.260 4.424 1.00 0.00 C ATOM 0 H ALA A 64 175.005 -14.501 3.562 1.00 0.00 H new ATOM 0 HA ALA A 64 174.407 -11.822 2.743 1.00 0.00 H new ATOM 0 HB1 ALA A 64 176.012 -11.236 4.534 1.00 0.00 H new ATOM 0 HB2 ALA A 64 174.804 -12.421 5.086 1.00 0.00 H new ATOM 0 HB3 ALA A 64 176.455 -12.953 4.686 1.00 0.00 H new ATOM 1041 N GLN A 65 176.997 -13.237 1.466 1.00 0.00 N ATOM 1042 CA GLN A 65 178.105 -13.069 0.530 1.00 0.00 C ATOM 1043 C GLN A 65 177.637 -12.324 -0.718 1.00 0.00 C ATOM 1044 O GLN A 65 178.295 -11.389 -1.174 1.00 0.00 O ATOM 1045 CB GLN A 65 178.690 -14.432 0.145 1.00 0.00 C ATOM 1046 CG GLN A 65 180.203 -14.427 -0.013 1.00 0.00 C ATOM 1047 CD GLN A 65 180.839 -15.736 0.421 1.00 0.00 C ATOM 1048 OE1 GLN A 65 181.494 -16.413 -0.370 1.00 0.00 O ATOM 1049 NE2 GLN A 65 180.648 -16.097 1.685 1.00 0.00 N ATOM 0 H GLN A 65 176.741 -14.208 1.646 1.00 0.00 H new ATOM 0 HA GLN A 65 178.883 -12.481 1.017 1.00 0.00 H new ATOM 0 HB2 GLN A 65 178.416 -15.163 0.906 1.00 0.00 H new ATOM 0 HB3 GLN A 65 178.237 -14.760 -0.791 1.00 0.00 H new ATOM 0 HG2 GLN A 65 180.455 -14.233 -1.055 1.00 0.00 H new ATOM 0 HG3 GLN A 65 180.623 -13.611 0.574 1.00 0.00 H new ATOM 0 HE21 GLN A 65 180.098 -15.505 2.307 1.00 0.00 H new ATOM 0 HE22 GLN A 65 181.052 -16.966 2.034 1.00 0.00 H new ATOM 1058 N GLU A 66 176.487 -12.735 -1.257 1.00 0.00 N ATOM 1059 CA GLU A 66 175.922 -12.095 -2.444 1.00 0.00 C ATOM 1060 C GLU A 66 175.474 -10.665 -2.131 1.00 0.00 C ATOM 1061 O GLU A 66 175.653 -9.758 -2.946 1.00 0.00 O ATOM 1062 CB GLU A 66 174.743 -12.913 -2.979 1.00 0.00 C ATOM 1063 CG GLU A 66 175.155 -14.014 -3.944 1.00 0.00 C ATOM 1064 CD GLU A 66 174.581 -13.819 -5.335 1.00 0.00 C ATOM 1065 OE1 GLU A 66 173.338 -13.803 -5.469 1.00 0.00 O ATOM 1066 OE2 GLU A 66 175.374 -13.681 -6.290 1.00 0.00 O ATOM 0 H GLU A 66 175.931 -13.507 -0.890 1.00 0.00 H new ATOM 0 HA GLU A 66 176.697 -12.052 -3.209 1.00 0.00 H new ATOM 0 HB2 GLU A 66 174.209 -13.358 -2.139 1.00 0.00 H new ATOM 0 HB3 GLU A 66 174.045 -12.243 -3.481 1.00 0.00 H new ATOM 0 HG2 GLU A 66 176.243 -14.049 -4.006 1.00 0.00 H new ATOM 0 HG3 GLU A 66 174.827 -14.977 -3.552 1.00 0.00 H new ATOM 1073 N PHE A 67 174.898 -10.469 -0.939 1.00 0.00 N ATOM 1074 CA PHE A 67 174.434 -9.148 -0.512 1.00 0.00 C ATOM 1075 C PHE A 67 175.609 -8.177 -0.395 1.00 0.00 C ATOM 1076 O PHE A 67 175.585 -7.088 -0.970 1.00 0.00 O ATOM 1077 CB PHE A 67 173.703 -9.250 0.834 1.00 0.00 C ATOM 1078 CG PHE A 67 173.056 -7.966 1.289 1.00 0.00 C ATOM 1079 CD1 PHE A 67 173.821 -6.924 1.795 1.00 0.00 C ATOM 1080 CD2 PHE A 67 171.681 -7.806 1.218 1.00 0.00 C ATOM 1081 CE1 PHE A 67 173.225 -5.751 2.219 1.00 0.00 C ATOM 1082 CE2 PHE A 67 171.081 -6.634 1.640 1.00 0.00 C ATOM 1083 CZ PHE A 67 171.853 -5.606 2.141 1.00 0.00 C ATOM 0 H PHE A 67 174.743 -11.209 -0.255 1.00 0.00 H new ATOM 0 HA PHE A 67 173.742 -8.769 -1.264 1.00 0.00 H new ATOM 0 HB2 PHE A 67 172.937 -10.022 0.761 1.00 0.00 H new ATOM 0 HB3 PHE A 67 174.412 -9.575 1.595 1.00 0.00 H new ATOM 0 HD1 PHE A 67 174.894 -7.031 1.858 1.00 0.00 H new ATOM 0 HD2 PHE A 67 171.071 -8.607 0.828 1.00 0.00 H new ATOM 0 HE1 PHE A 67 173.832 -4.948 2.611 1.00 0.00 H new ATOM 0 HE2 PHE A 67 170.009 -6.523 1.578 1.00 0.00 H new ATOM 0 HZ PHE A 67 171.386 -4.690 2.471 1.00 0.00 H new ATOM 1093 N GLY A 68 176.634 -8.587 0.356 1.00 0.00 N ATOM 1094 CA GLY A 68 177.813 -7.756 0.547 1.00 0.00 C ATOM 1095 C GLY A 68 178.583 -7.506 -0.740 1.00 0.00 C ATOM 1096 O GLY A 68 179.198 -6.449 -0.899 1.00 0.00 O ATOM 0 H GLY A 68 176.667 -9.486 0.837 1.00 0.00 H new ATOM 0 HA2 GLY A 68 177.511 -6.800 0.974 1.00 0.00 H new ATOM 0 HA3 GLY A 68 178.473 -8.234 1.271 1.00 0.00 H new ATOM 1100 N ALA A 69 178.552 -8.476 -1.660 1.00 0.00 N ATOM 1101 CA ALA A 69 179.252 -8.349 -2.939 1.00 0.00 C ATOM 1102 C ALA A 69 178.757 -7.133 -3.721 1.00 0.00 C ATOM 1103 O ALA A 69 179.555 -6.389 -4.294 1.00 0.00 O ATOM 1104 CB ALA A 69 179.083 -9.617 -3.770 1.00 0.00 C ATOM 0 H ALA A 69 178.050 -9.356 -1.541 1.00 0.00 H new ATOM 0 HA ALA A 69 180.312 -8.207 -2.727 1.00 0.00 H new ATOM 0 HB1 ALA A 69 179.610 -9.504 -4.717 1.00 0.00 H new ATOM 0 HB2 ALA A 69 179.494 -10.467 -3.225 1.00 0.00 H new ATOM 0 HB3 ALA A 69 178.024 -9.787 -3.962 1.00 0.00 H new ATOM 1110 N ASP A 70 177.438 -6.934 -3.734 1.00 0.00 N ATOM 1111 CA ASP A 70 176.837 -5.803 -4.441 1.00 0.00 C ATOM 1112 C ASP A 70 177.106 -4.483 -3.715 1.00 0.00 C ATOM 1113 O ASP A 70 177.210 -3.432 -4.349 1.00 0.00 O ATOM 1114 CB ASP A 70 175.327 -6.014 -4.610 1.00 0.00 C ATOM 1115 CG ASP A 70 174.983 -6.824 -5.849 1.00 0.00 C ATOM 1116 OD1 ASP A 70 175.654 -6.645 -6.888 1.00 0.00 O ATOM 1117 OD2 ASP A 70 174.035 -7.634 -5.783 1.00 0.00 O ATOM 0 H ASP A 70 176.767 -7.541 -3.263 1.00 0.00 H new ATOM 0 HA ASP A 70 177.299 -5.747 -5.426 1.00 0.00 H new ATOM 0 HB2 ASP A 70 174.934 -6.521 -3.729 1.00 0.00 H new ATOM 0 HB3 ASP A 70 174.833 -5.044 -4.666 1.00 0.00 H new ATOM 1122 N VAL A 71 177.230 -4.541 -2.387 1.00 0.00 N ATOM 1123 CA VAL A 71 177.500 -3.343 -1.593 1.00 0.00 C ATOM 1124 C VAL A 71 178.878 -2.781 -1.926 1.00 0.00 C ATOM 1125 O VAL A 71 179.028 -1.582 -2.168 1.00 0.00 O ATOM 1126 CB VAL A 71 177.423 -3.622 -0.075 1.00 0.00 C ATOM 1127 CG1 VAL A 71 177.610 -2.332 0.712 1.00 0.00 C ATOM 1128 CG2 VAL A 71 176.104 -4.291 0.292 1.00 0.00 C ATOM 0 H VAL A 71 177.148 -5.400 -1.843 1.00 0.00 H new ATOM 0 HA VAL A 71 176.729 -2.616 -1.848 1.00 0.00 H new ATOM 0 HB VAL A 71 178.229 -4.307 0.186 1.00 0.00 H new ATOM 0 HG11 VAL A 71 177.553 -2.545 1.779 1.00 0.00 H new ATOM 0 HG12 VAL A 71 178.584 -1.902 0.479 1.00 0.00 H new ATOM 0 HG13 VAL A 71 176.827 -1.624 0.441 1.00 0.00 H new ATOM 0 HG21 VAL A 71 176.076 -4.476 1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 71 175.276 -3.639 0.015 1.00 0.00 H new ATOM 0 HG23 VAL A 71 176.015 -5.237 -0.242 1.00 0.00 H new ATOM 1138 N ARG A 72 179.883 -3.659 -1.946 1.00 0.00 N ATOM 1139 CA ARG A 72 181.251 -3.255 -2.260 1.00 0.00 C ATOM 1140 C ARG A 72 181.327 -2.636 -3.657 1.00 0.00 C ATOM 1141 O ARG A 72 182.029 -1.646 -3.867 1.00 0.00 O ATOM 1142 CB ARG A 72 182.199 -4.454 -2.158 1.00 0.00 C ATOM 1143 CG ARG A 72 182.508 -4.862 -0.726 1.00 0.00 C ATOM 1144 CD ARG A 72 183.318 -6.150 -0.668 1.00 0.00 C ATOM 1145 NE ARG A 72 184.722 -5.940 -1.020 1.00 0.00 N ATOM 1146 CZ ARG A 72 185.604 -5.303 -0.242 1.00 0.00 C ATOM 1147 NH1 ARG A 72 185.229 -4.796 0.932 1.00 0.00 N ATOM 1148 NH2 ARG A 72 186.865 -5.170 -0.638 1.00 0.00 N ATOM 0 H ARG A 72 179.773 -4.654 -1.748 1.00 0.00 H new ATOM 0 HA ARG A 72 181.559 -2.503 -1.534 1.00 0.00 H new ATOM 0 HB2 ARG A 72 181.758 -5.302 -2.682 1.00 0.00 H new ATOM 0 HB3 ARG A 72 183.132 -4.214 -2.669 1.00 0.00 H new ATOM 0 HG2 ARG A 72 183.060 -4.063 -0.231 1.00 0.00 H new ATOM 0 HG3 ARG A 72 181.576 -4.993 -0.176 1.00 0.00 H new ATOM 0 HD2 ARG A 72 183.257 -6.570 0.336 1.00 0.00 H new ATOM 0 HD3 ARG A 72 182.881 -6.882 -1.347 1.00 0.00 H new ATOM 0 HE ARG A 72 185.049 -6.302 -1.916 1.00 0.00 H new ATOM 0 HH11 ARG A 72 184.263 -4.892 1.244 1.00 0.00 H new ATOM 0 HH12 ARG A 72 185.908 -4.312 1.519 1.00 0.00 H new ATOM 0 HH21 ARG A 72 187.161 -5.554 -1.536 1.00 0.00 H new ATOM 0 HH22 ARG A 72 187.537 -4.684 -0.044 1.00 0.00 H new ATOM 1162 N LEU A 73 180.586 -3.218 -4.604 1.00 0.00 N ATOM 1163 CA LEU A 73 180.557 -2.715 -5.979 1.00 0.00 C ATOM 1164 C LEU A 73 179.889 -1.343 -6.041 1.00 0.00 C ATOM 1165 O LEU A 73 180.398 -0.425 -6.686 1.00 0.00 O ATOM 1166 CB LEU A 73 179.812 -3.696 -6.894 1.00 0.00 C ATOM 1167 CG LEU A 73 179.850 -3.355 -8.391 1.00 0.00 C ATOM 1168 CD1 LEU A 73 180.483 -4.491 -9.183 1.00 0.00 C ATOM 1169 CD2 LEU A 73 178.449 -3.057 -8.911 1.00 0.00 C ATOM 0 H LEU A 73 179.999 -4.037 -4.443 1.00 0.00 H new ATOM 0 HA LEU A 73 181.587 -2.619 -6.323 1.00 0.00 H new ATOM 0 HB2 LEU A 73 180.235 -4.691 -6.754 1.00 0.00 H new ATOM 0 HB3 LEU A 73 178.771 -3.745 -6.576 1.00 0.00 H new ATOM 0 HG LEU A 73 180.461 -2.462 -8.522 1.00 0.00 H new ATOM 0 HD11 LEU A 73 180.501 -4.231 -10.241 1.00 0.00 H new ATOM 0 HD12 LEU A 73 181.502 -4.655 -8.832 1.00 0.00 H new ATOM 0 HD13 LEU A 73 179.900 -5.401 -9.043 1.00 0.00 H new ATOM 0 HD21 LEU A 73 178.498 -2.818 -9.973 1.00 0.00 H new ATOM 0 HD22 LEU A 73 177.813 -3.930 -8.765 1.00 0.00 H new ATOM 0 HD23 LEU A 73 178.032 -2.209 -8.367 1.00 0.00 H new ATOM 1181 N MET A 74 178.744 -1.216 -5.363 1.00 0.00 N ATOM 1182 CA MET A 74 177.991 0.039 -5.335 1.00 0.00 C ATOM 1183 C MET A 74 178.832 1.176 -4.761 1.00 0.00 C ATOM 1184 O MET A 74 178.880 2.268 -5.328 1.00 0.00 O ATOM 1185 CB MET A 74 176.713 -0.132 -4.506 1.00 0.00 C ATOM 1186 CG MET A 74 175.816 1.095 -4.499 1.00 0.00 C ATOM 1187 SD MET A 74 176.201 2.230 -3.151 1.00 0.00 S ATOM 1188 CE MET A 74 174.736 2.065 -2.134 1.00 0.00 C ATOM 0 H MET A 74 178.318 -1.971 -4.825 1.00 0.00 H new ATOM 0 HA MET A 74 177.726 0.295 -6.361 1.00 0.00 H new ATOM 0 HB2 MET A 74 176.150 -0.980 -4.895 1.00 0.00 H new ATOM 0 HB3 MET A 74 176.987 -0.376 -3.480 1.00 0.00 H new ATOM 0 HG2 MET A 74 175.916 1.619 -5.450 1.00 0.00 H new ATOM 0 HG3 MET A 74 174.776 0.779 -4.417 1.00 0.00 H new ATOM 0 HE1 MET A 74 175.012 2.146 -1.083 1.00 0.00 H new ATOM 0 HE2 MET A 74 174.028 2.854 -2.385 1.00 0.00 H new ATOM 0 HE3 MET A 74 174.276 1.094 -2.314 1.00 0.00 H new ATOM 1198 N PHE A 75 179.496 0.912 -3.638 1.00 0.00 N ATOM 1199 CA PHE A 75 180.337 1.916 -2.996 1.00 0.00 C ATOM 1200 C PHE A 75 181.538 2.259 -3.875 1.00 0.00 C ATOM 1201 O PHE A 75 181.977 3.410 -3.913 1.00 0.00 O ATOM 1202 CB PHE A 75 180.808 1.421 -1.625 1.00 0.00 C ATOM 1203 CG PHE A 75 179.809 1.661 -0.525 1.00 0.00 C ATOM 1204 CD1 PHE A 75 178.496 1.240 -0.662 1.00 0.00 C ATOM 1205 CD2 PHE A 75 180.181 2.312 0.641 1.00 0.00 C ATOM 1206 CE1 PHE A 75 177.574 1.462 0.341 1.00 0.00 C ATOM 1207 CE2 PHE A 75 179.261 2.536 1.649 1.00 0.00 C ATOM 1208 CZ PHE A 75 177.956 2.110 1.498 1.00 0.00 C ATOM 0 H PHE A 75 179.467 0.014 -3.156 1.00 0.00 H new ATOM 0 HA PHE A 75 179.743 2.819 -2.857 1.00 0.00 H new ATOM 0 HB2 PHE A 75 181.020 0.354 -1.686 1.00 0.00 H new ATOM 0 HB3 PHE A 75 181.744 1.918 -1.370 1.00 0.00 H new ATOM 0 HD1 PHE A 75 178.190 0.732 -1.565 1.00 0.00 H new ATOM 0 HD2 PHE A 75 181.200 2.648 0.764 1.00 0.00 H new ATOM 0 HE1 PHE A 75 176.554 1.129 0.220 1.00 0.00 H new ATOM 0 HE2 PHE A 75 179.563 3.044 2.553 1.00 0.00 H new ATOM 0 HZ PHE A 75 177.236 2.284 2.284 1.00 0.00 H new ATOM 1218 N SER A 76 182.064 1.253 -4.583 1.00 0.00 N ATOM 1219 CA SER A 76 183.214 1.449 -5.466 1.00 0.00 C ATOM 1220 C SER A 76 182.914 2.480 -6.558 1.00 0.00 C ATOM 1221 O SER A 76 183.723 3.376 -6.803 1.00 0.00 O ATOM 1222 CB SER A 76 183.645 0.121 -6.101 1.00 0.00 C ATOM 1223 OG SER A 76 184.551 -0.577 -5.262 1.00 0.00 O ATOM 0 H SER A 76 181.710 0.297 -4.560 1.00 0.00 H new ATOM 0 HA SER A 76 184.032 1.830 -4.855 1.00 0.00 H new ATOM 0 HB2 SER A 76 182.767 -0.498 -6.288 1.00 0.00 H new ATOM 0 HB3 SER A 76 184.112 0.311 -7.067 1.00 0.00 H new ATOM 0 HG SER A 76 184.049 -1.110 -4.611 1.00 0.00 H new ATOM 1229 N ASN A 77 181.753 2.357 -7.211 1.00 0.00 N ATOM 1230 CA ASN A 77 181.372 3.298 -8.269 1.00 0.00 C ATOM 1231 C ASN A 77 180.929 4.638 -7.677 1.00 0.00 C ATOM 1232 O ASN A 77 181.207 5.695 -8.245 1.00 0.00 O ATOM 1233 CB ASN A 77 180.272 2.711 -9.171 1.00 0.00 C ATOM 1234 CG ASN A 77 179.009 2.325 -8.422 1.00 0.00 C ATOM 1235 OD1 ASN A 77 178.785 1.151 -8.134 1.00 0.00 O ATOM 1236 ND2 ASN A 77 178.167 3.308 -8.115 1.00 0.00 N ATOM 0 H ASN A 77 181.068 1.624 -7.028 1.00 0.00 H new ATOM 0 HA ASN A 77 182.253 3.473 -8.887 1.00 0.00 H new ATOM 0 HB2 ASN A 77 180.019 3.440 -9.941 1.00 0.00 H new ATOM 0 HB3 ASN A 77 180.664 1.831 -9.681 1.00 0.00 H new ATOM 0 HD21 ASN A 77 177.298 3.100 -7.623 1.00 0.00 H new ATOM 0 HD22 ASN A 77 178.390 4.270 -8.372 1.00 0.00 H new ATOM 1243 N CYS A 78 180.248 4.586 -6.528 1.00 0.00 N ATOM 1244 CA CYS A 78 179.775 5.800 -5.850 1.00 0.00 C ATOM 1245 C CYS A 78 180.939 6.720 -5.487 1.00 0.00 C ATOM 1246 O CYS A 78 180.829 7.941 -5.595 1.00 0.00 O ATOM 1247 CB CYS A 78 178.989 5.449 -4.580 1.00 0.00 C ATOM 1248 SG CYS A 78 177.572 6.528 -4.268 1.00 0.00 S ATOM 0 H CYS A 78 180.011 3.718 -6.047 1.00 0.00 H new ATOM 0 HA CYS A 78 179.117 6.321 -6.545 1.00 0.00 H new ATOM 0 HB2 CYS A 78 178.639 4.420 -4.655 1.00 0.00 H new ATOM 0 HB3 CYS A 78 179.663 5.495 -3.724 1.00 0.00 H new ATOM 0 HG CYS A 78 176.972 6.152 -3.178 1.00 0.00 H new ATOM 1254 N TYR A 79 182.051 6.125 -5.054 1.00 0.00 N ATOM 1255 CA TYR A 79 183.240 6.890 -4.672 1.00 0.00 C ATOM 1256 C TYR A 79 183.725 7.769 -5.826 1.00 0.00 C ATOM 1257 O TYR A 79 184.213 8.878 -5.605 1.00 0.00 O ATOM 1258 CB TYR A 79 184.357 5.942 -4.221 1.00 0.00 C ATOM 1259 CG TYR A 79 185.594 6.644 -3.705 1.00 0.00 C ATOM 1260 CD1 TYR A 79 185.598 7.264 -2.461 1.00 0.00 C ATOM 1261 CD2 TYR A 79 186.761 6.680 -4.459 1.00 0.00 C ATOM 1262 CE1 TYR A 79 186.728 7.898 -1.983 1.00 0.00 C ATOM 1263 CE2 TYR A 79 187.895 7.313 -3.989 1.00 0.00 C ATOM 1264 CZ TYR A 79 187.874 7.921 -2.750 1.00 0.00 C ATOM 1265 OH TYR A 79 189.002 8.551 -2.273 1.00 0.00 O ATOM 0 H TYR A 79 182.154 5.115 -4.959 1.00 0.00 H new ATOM 0 HA TYR A 79 182.971 7.542 -3.841 1.00 0.00 H new ATOM 0 HB2 TYR A 79 183.970 5.289 -3.439 1.00 0.00 H new ATOM 0 HB3 TYR A 79 184.638 5.304 -5.059 1.00 0.00 H new ATOM 0 HD1 TYR A 79 184.702 7.250 -1.858 1.00 0.00 H new ATOM 0 HD2 TYR A 79 186.781 6.205 -5.429 1.00 0.00 H new ATOM 0 HE1 TYR A 79 186.714 8.373 -1.013 1.00 0.00 H new ATOM 0 HE2 TYR A 79 188.794 7.332 -4.588 1.00 0.00 H new ATOM 0 HH TYR A 79 189.722 8.476 -2.933 1.00 0.00 H new ATOM 1275 N LYS A 80 183.575 7.273 -7.056 1.00 0.00 N ATOM 1276 CA LYS A 80 183.987 8.021 -8.240 1.00 0.00 C ATOM 1277 C LYS A 80 183.123 9.269 -8.415 1.00 0.00 C ATOM 1278 O LYS A 80 183.637 10.351 -8.701 1.00 0.00 O ATOM 1279 CB LYS A 80 183.898 7.138 -9.491 1.00 0.00 C ATOM 1280 CG LYS A 80 184.689 7.676 -10.672 1.00 0.00 C ATOM 1281 CD LYS A 80 184.322 6.963 -11.965 1.00 0.00 C ATOM 1282 CE LYS A 80 185.547 6.722 -12.834 1.00 0.00 C ATOM 1283 NZ LYS A 80 185.179 6.295 -14.214 1.00 0.00 N ATOM 0 H LYS A 80 183.172 6.358 -7.255 1.00 0.00 H new ATOM 0 HA LYS A 80 185.023 8.331 -8.104 1.00 0.00 H new ATOM 0 HB2 LYS A 80 184.259 6.139 -9.247 1.00 0.00 H new ATOM 0 HB3 LYS A 80 182.852 7.037 -9.781 1.00 0.00 H new ATOM 0 HG2 LYS A 80 184.502 8.744 -10.779 1.00 0.00 H new ATOM 0 HG3 LYS A 80 185.755 7.557 -10.481 1.00 0.00 H new ATOM 0 HD2 LYS A 80 183.845 6.011 -11.734 1.00 0.00 H new ATOM 0 HD3 LYS A 80 183.594 7.558 -12.517 1.00 0.00 H new ATOM 0 HE2 LYS A 80 186.141 7.634 -12.883 1.00 0.00 H new ATOM 0 HE3 LYS A 80 186.173 5.958 -12.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 186.043 6.142 -14.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 184.634 5.410 -14.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 184.603 7.035 -14.664 1.00 0.00 H new ATOM 1297 N TYR A 81 181.810 9.112 -8.237 1.00 0.00 N ATOM 1298 CA TYR A 81 180.878 10.230 -8.371 1.00 0.00 C ATOM 1299 C TYR A 81 181.034 11.224 -7.216 1.00 0.00 C ATOM 1300 O TYR A 81 180.934 12.434 -7.420 1.00 0.00 O ATOM 1301 CB TYR A 81 179.433 9.724 -8.439 1.00 0.00 C ATOM 1302 CG TYR A 81 178.609 10.395 -9.517 1.00 0.00 C ATOM 1303 CD1 TYR A 81 177.929 11.582 -9.264 1.00 0.00 C ATOM 1304 CD2 TYR A 81 178.513 9.844 -10.789 1.00 0.00 C ATOM 1305 CE1 TYR A 81 177.178 12.197 -10.247 1.00 0.00 C ATOM 1306 CE2 TYR A 81 177.764 10.454 -11.776 1.00 0.00 C ATOM 1307 CZ TYR A 81 177.098 11.629 -11.501 1.00 0.00 C ATOM 1308 OH TYR A 81 176.351 12.238 -12.482 1.00 0.00 O ATOM 0 H TYR A 81 181.370 8.223 -8.000 1.00 0.00 H new ATOM 0 HA TYR A 81 181.114 10.748 -9.301 1.00 0.00 H new ATOM 0 HB2 TYR A 81 179.441 8.648 -8.615 1.00 0.00 H new ATOM 0 HB3 TYR A 81 178.954 9.885 -7.473 1.00 0.00 H new ATOM 0 HD1 TYR A 81 177.989 12.030 -8.283 1.00 0.00 H new ATOM 0 HD2 TYR A 81 179.033 8.923 -11.009 1.00 0.00 H new ATOM 0 HE1 TYR A 81 176.656 13.118 -10.034 1.00 0.00 H new ATOM 0 HE2 TYR A 81 177.700 10.012 -12.759 1.00 0.00 H new ATOM 0 HH TYR A 81 176.400 11.710 -13.306 1.00 0.00 H new ATOM 1318 N ASN A 82 181.280 10.708 -6.006 1.00 0.00 N ATOM 1319 CA ASN A 82 181.452 11.562 -4.825 1.00 0.00 C ATOM 1320 C ASN A 82 182.711 12.422 -4.955 1.00 0.00 C ATOM 1321 O ASN A 82 183.828 11.903 -4.918 1.00 0.00 O ATOM 1322 CB ASN A 82 181.536 10.717 -3.544 1.00 0.00 C ATOM 1323 CG ASN A 82 180.313 9.840 -3.318 1.00 0.00 C ATOM 1324 OD1 ASN A 82 180.431 8.703 -2.860 1.00 0.00 O ATOM 1325 ND2 ASN A 82 179.129 10.362 -3.630 1.00 0.00 N ATOM 0 H ASN A 82 181.364 9.709 -5.819 1.00 0.00 H new ATOM 0 HA ASN A 82 180.581 12.215 -4.761 1.00 0.00 H new ATOM 0 HB2 ASN A 82 182.423 10.085 -3.592 1.00 0.00 H new ATOM 0 HB3 ASN A 82 181.662 11.380 -2.688 1.00 0.00 H new ATOM 0 HD21 ASN A 82 178.279 9.816 -3.492 1.00 0.00 H new ATOM 0 HD22 ASN A 82 179.072 11.308 -4.007 1.00 0.00 H new ATOM 1332 N PRO A 83 182.548 13.755 -5.106 1.00 0.00 N ATOM 1333 CA PRO A 83 183.681 14.682 -5.239 1.00 0.00 C ATOM 1334 C PRO A 83 184.507 14.778 -3.957 1.00 0.00 C ATOM 1335 O PRO A 83 183.967 14.662 -2.857 1.00 0.00 O ATOM 1336 CB PRO A 83 183.013 16.025 -5.551 1.00 0.00 C ATOM 1337 CG PRO A 83 181.638 15.904 -4.993 1.00 0.00 C ATOM 1338 CD PRO A 83 181.252 14.460 -5.154 1.00 0.00 C ATOM 0 HA PRO A 83 184.384 14.356 -6.005 1.00 0.00 H new ATOM 0 HB2 PRO A 83 183.555 16.852 -5.092 1.00 0.00 H new ATOM 0 HB3 PRO A 83 182.989 16.215 -6.624 1.00 0.00 H new ATOM 0 HG2 PRO A 83 181.615 16.200 -3.944 1.00 0.00 H new ATOM 0 HG3 PRO A 83 180.943 16.555 -5.523 1.00 0.00 H new ATOM 0 HD2 PRO A 83 180.585 14.131 -4.357 1.00 0.00 H new ATOM 0 HD3 PRO A 83 180.733 14.285 -6.097 1.00 0.00 H new ATOM 1346 N PRO A 84 185.833 14.988 -4.081 1.00 0.00 N ATOM 1347 CA PRO A 84 186.732 15.092 -2.922 1.00 0.00 C ATOM 1348 C PRO A 84 186.268 16.138 -1.906 1.00 0.00 C ATOM 1349 O PRO A 84 185.944 17.269 -2.274 1.00 0.00 O ATOM 1350 CB PRO A 84 188.070 15.504 -3.540 1.00 0.00 C ATOM 1351 CG PRO A 84 188.004 15.024 -4.947 1.00 0.00 C ATOM 1352 CD PRO A 84 186.561 15.135 -5.356 1.00 0.00 C ATOM 0 HA PRO A 84 186.775 14.158 -2.363 1.00 0.00 H new ATOM 0 HB2 PRO A 84 188.209 16.584 -3.497 1.00 0.00 H new ATOM 0 HB3 PRO A 84 188.907 15.053 -3.007 1.00 0.00 H new ATOM 0 HG2 PRO A 84 188.641 15.626 -5.595 1.00 0.00 H new ATOM 0 HG3 PRO A 84 188.353 13.994 -5.025 1.00 0.00 H new ATOM 0 HD2 PRO A 84 186.350 16.093 -5.831 1.00 0.00 H new ATOM 0 HD3 PRO A 84 186.284 14.358 -6.069 1.00 0.00 H new ATOM 1360 N ASP A 85 186.244 15.744 -0.628 1.00 0.00 N ATOM 1361 CA ASP A 85 185.827 16.630 0.462 1.00 0.00 C ATOM 1362 C ASP A 85 184.363 17.056 0.311 1.00 0.00 C ATOM 1363 O ASP A 85 184.062 18.236 0.119 1.00 0.00 O ATOM 1364 CB ASP A 85 186.739 17.862 0.533 1.00 0.00 C ATOM 1365 CG ASP A 85 186.810 18.448 1.930 1.00 0.00 C ATOM 1366 OD1 ASP A 85 187.564 17.904 2.764 1.00 0.00 O ATOM 1367 OD2 ASP A 85 186.108 19.448 2.193 1.00 0.00 O ATOM 0 H ASP A 85 186.511 14.808 -0.322 1.00 0.00 H new ATOM 0 HA ASP A 85 185.917 16.072 1.394 1.00 0.00 H new ATOM 0 HB2 ASP A 85 187.742 17.588 0.205 1.00 0.00 H new ATOM 0 HB3 ASP A 85 186.374 18.621 -0.159 1.00 0.00 H new ATOM 1372 N HIS A 86 183.456 16.083 0.396 1.00 0.00 N ATOM 1373 CA HIS A 86 182.029 16.347 0.270 1.00 0.00 C ATOM 1374 C HIS A 86 181.232 15.573 1.323 1.00 0.00 C ATOM 1375 O HIS A 86 181.688 14.545 1.831 1.00 0.00 O ATOM 1376 CB HIS A 86 181.557 15.972 -1.136 1.00 0.00 C ATOM 1377 CG HIS A 86 180.476 16.861 -1.675 1.00 0.00 C ATOM 1378 ND1 HIS A 86 179.146 16.730 -1.332 1.00 0.00 N ATOM 1379 CD2 HIS A 86 180.535 17.900 -2.544 1.00 0.00 C ATOM 1380 CE1 HIS A 86 178.436 17.647 -1.965 1.00 0.00 C ATOM 1381 NE2 HIS A 86 179.255 18.370 -2.706 1.00 0.00 N ATOM 0 H HIS A 86 183.689 15.102 0.552 1.00 0.00 H new ATOM 0 HA HIS A 86 181.857 17.411 0.435 1.00 0.00 H new ATOM 0 HB2 HIS A 86 182.410 16.002 -1.814 1.00 0.00 H new ATOM 0 HB3 HIS A 86 181.195 14.944 -1.124 1.00 0.00 H new ATOM 0 HD2 HIS A 86 181.424 18.286 -3.020 1.00 0.00 H new ATOM 0 HE1 HIS A 86 177.367 17.782 -1.889 1.00 0.00 H new ATOM 0 HE2 HIS A 86 178.981 19.151 -3.302 1.00 0.00 H new ATOM 1390 N GLU A 87 180.039 16.080 1.643 1.00 0.00 N ATOM 1391 CA GLU A 87 179.162 15.456 2.639 1.00 0.00 C ATOM 1392 C GLU A 87 178.869 13.993 2.288 1.00 0.00 C ATOM 1393 O GLU A 87 178.919 13.118 3.157 1.00 0.00 O ATOM 1394 CB GLU A 87 177.849 16.241 2.737 1.00 0.00 C ATOM 1395 CG GLU A 87 177.068 15.984 4.021 1.00 0.00 C ATOM 1396 CD GLU A 87 175.565 16.174 3.863 1.00 0.00 C ATOM 1397 OE1 GLU A 87 175.058 16.078 2.723 1.00 0.00 O ATOM 1398 OE2 GLU A 87 174.894 16.413 4.887 1.00 0.00 O ATOM 0 H GLU A 87 179.655 16.927 1.224 1.00 0.00 H new ATOM 0 HA GLU A 87 179.674 15.475 3.601 1.00 0.00 H new ATOM 0 HB2 GLU A 87 178.068 17.306 2.664 1.00 0.00 H new ATOM 0 HB3 GLU A 87 177.220 15.986 1.884 1.00 0.00 H new ATOM 0 HG2 GLU A 87 177.265 14.967 4.360 1.00 0.00 H new ATOM 0 HG3 GLU A 87 177.432 16.655 4.799 1.00 0.00 H new ATOM 1405 N VAL A 88 178.569 13.735 1.014 1.00 0.00 N ATOM 1406 CA VAL A 88 178.272 12.380 0.545 1.00 0.00 C ATOM 1407 C VAL A 88 179.479 11.453 0.698 1.00 0.00 C ATOM 1408 O VAL A 88 179.326 10.266 0.990 1.00 0.00 O ATOM 1409 CB VAL A 88 177.817 12.374 -0.933 1.00 0.00 C ATOM 1410 CG1 VAL A 88 176.491 13.104 -1.086 1.00 0.00 C ATOM 1411 CG2 VAL A 88 178.883 12.985 -1.840 1.00 0.00 C ATOM 0 H VAL A 88 178.525 14.449 0.287 1.00 0.00 H new ATOM 0 HA VAL A 88 177.458 12.012 1.170 1.00 0.00 H new ATOM 0 HB VAL A 88 177.676 11.338 -1.239 1.00 0.00 H new ATOM 0 HG11 VAL A 88 176.186 13.090 -2.132 1.00 0.00 H new ATOM 0 HG12 VAL A 88 175.732 12.610 -0.480 1.00 0.00 H new ATOM 0 HG13 VAL A 88 176.604 14.136 -0.755 1.00 0.00 H new ATOM 0 HG21 VAL A 88 178.536 12.967 -2.873 1.00 0.00 H new ATOM 0 HG22 VAL A 88 179.071 14.015 -1.538 1.00 0.00 H new ATOM 0 HG23 VAL A 88 179.805 12.409 -1.757 1.00 0.00 H new ATOM 1421 N VAL A 89 180.678 12.001 0.500 1.00 0.00 N ATOM 1422 CA VAL A 89 181.909 11.222 0.617 1.00 0.00 C ATOM 1423 C VAL A 89 182.062 10.654 2.027 1.00 0.00 C ATOM 1424 O VAL A 89 182.368 9.473 2.198 1.00 0.00 O ATOM 1425 CB VAL A 89 183.151 12.071 0.274 1.00 0.00 C ATOM 1426 CG1 VAL A 89 184.401 11.206 0.245 1.00 0.00 C ATOM 1427 CG2 VAL A 89 182.961 12.791 -1.053 1.00 0.00 C ATOM 0 H VAL A 89 180.822 12.981 0.258 1.00 0.00 H new ATOM 0 HA VAL A 89 181.837 10.402 -0.098 1.00 0.00 H new ATOM 0 HB VAL A 89 183.276 12.823 1.053 1.00 0.00 H new ATOM 0 HG11 VAL A 89 185.265 11.824 0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 89 184.548 10.746 1.222 1.00 0.00 H new ATOM 0 HG13 VAL A 89 184.287 10.427 -0.509 1.00 0.00 H new ATOM 0 HG21 VAL A 89 183.848 13.384 -1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 89 182.806 12.059 -1.845 1.00 0.00 H new ATOM 0 HG23 VAL A 89 182.093 13.447 -0.990 1.00 0.00 H new ATOM 1437 N ALA A 90 181.835 11.500 3.033 1.00 0.00 N ATOM 1438 CA ALA A 90 181.936 11.078 4.428 1.00 0.00 C ATOM 1439 C ALA A 90 180.880 10.025 4.760 1.00 0.00 C ATOM 1440 O ALA A 90 181.124 9.126 5.566 1.00 0.00 O ATOM 1441 CB ALA A 90 181.805 12.275 5.359 1.00 0.00 C ATOM 0 H ALA A 90 181.580 12.480 2.907 1.00 0.00 H new ATOM 0 HA ALA A 90 182.919 10.630 4.574 1.00 0.00 H new ATOM 0 HB1 ALA A 90 181.883 11.941 6.394 1.00 0.00 H new ATOM 0 HB2 ALA A 90 182.601 12.989 5.147 1.00 0.00 H new ATOM 0 HB3 ALA A 90 180.838 12.753 5.203 1.00 0.00 H new ATOM 1447 N MET A 91 179.708 10.140 4.130 1.00 0.00 N ATOM 1448 CA MET A 91 178.617 9.193 4.353 1.00 0.00 C ATOM 1449 C MET A 91 179.005 7.795 3.878 1.00 0.00 C ATOM 1450 O MET A 91 178.797 6.812 4.588 1.00 0.00 O ATOM 1451 CB MET A 91 177.348 9.652 3.628 1.00 0.00 C ATOM 1452 CG MET A 91 176.389 10.437 4.508 1.00 0.00 C ATOM 1453 SD MET A 91 175.120 11.291 3.556 1.00 0.00 S ATOM 1454 CE MET A 91 175.567 12.999 3.850 1.00 0.00 C ATOM 0 H MET A 91 179.492 10.880 3.462 1.00 0.00 H new ATOM 0 HA MET A 91 178.420 9.157 5.424 1.00 0.00 H new ATOM 0 HB2 MET A 91 177.631 10.269 2.775 1.00 0.00 H new ATOM 0 HB3 MET A 91 176.831 8.778 3.232 1.00 0.00 H new ATOM 0 HG2 MET A 91 175.913 9.759 5.216 1.00 0.00 H new ATOM 0 HG3 MET A 91 176.951 11.165 5.093 1.00 0.00 H new ATOM 0 HE1 MET A 91 174.663 13.598 3.958 1.00 0.00 H new ATOM 0 HE2 MET A 91 176.159 13.068 4.762 1.00 0.00 H new ATOM 0 HE3 MET A 91 176.152 13.372 3.009 1.00 0.00 H new ATOM 1464 N ALA A 92 179.575 7.717 2.673 1.00 0.00 N ATOM 1465 CA ALA A 92 179.997 6.438 2.104 1.00 0.00 C ATOM 1466 C ALA A 92 181.080 5.792 2.964 1.00 0.00 C ATOM 1467 O ALA A 92 181.030 4.593 3.241 1.00 0.00 O ATOM 1468 CB ALA A 92 180.490 6.627 0.676 1.00 0.00 C ATOM 0 H ALA A 92 179.754 8.524 2.075 1.00 0.00 H new ATOM 0 HA ALA A 92 179.135 5.771 2.087 1.00 0.00 H new ATOM 0 HB1 ALA A 92 180.800 5.665 0.268 1.00 0.00 H new ATOM 0 HB2 ALA A 92 179.686 7.038 0.065 1.00 0.00 H new ATOM 0 HB3 ALA A 92 181.337 7.313 0.671 1.00 0.00 H new ATOM 1474 N ARG A 93 182.053 6.598 3.391 1.00 0.00 N ATOM 1475 CA ARG A 93 183.143 6.104 4.229 1.00 0.00 C ATOM 1476 C ARG A 93 182.617 5.659 5.595 1.00 0.00 C ATOM 1477 O ARG A 93 183.011 4.609 6.103 1.00 0.00 O ATOM 1478 CB ARG A 93 184.223 7.180 4.399 1.00 0.00 C ATOM 1479 CG ARG A 93 185.241 7.206 3.266 1.00 0.00 C ATOM 1480 CD ARG A 93 185.632 8.628 2.891 1.00 0.00 C ATOM 1481 NE ARG A 93 186.697 8.661 1.886 1.00 0.00 N ATOM 1482 CZ ARG A 93 187.360 9.767 1.533 1.00 0.00 C ATOM 1483 NH1 ARG A 93 187.079 10.937 2.103 1.00 0.00 N ATOM 1484 NH2 ARG A 93 188.310 9.703 0.606 1.00 0.00 N ATOM 0 H ARG A 93 182.107 7.592 3.171 1.00 0.00 H new ATOM 0 HA ARG A 93 183.588 5.241 3.733 1.00 0.00 H new ATOM 0 HB2 ARG A 93 183.744 8.156 4.468 1.00 0.00 H new ATOM 0 HB3 ARG A 93 184.745 7.014 5.341 1.00 0.00 H new ATOM 0 HG2 ARG A 93 186.131 6.651 3.564 1.00 0.00 H new ATOM 0 HG3 ARG A 93 184.827 6.701 2.393 1.00 0.00 H new ATOM 0 HD2 ARG A 93 184.758 9.155 2.509 1.00 0.00 H new ATOM 0 HD3 ARG A 93 185.960 9.160 3.784 1.00 0.00 H new ATOM 0 HE ARG A 93 186.949 7.786 1.427 1.00 0.00 H new ATOM 0 HH11 ARG A 93 186.352 10.995 2.816 1.00 0.00 H new ATOM 0 HH12 ARG A 93 187.591 11.775 1.827 1.00 0.00 H new ATOM 0 HH21 ARG A 93 188.533 8.811 0.165 1.00 0.00 H new ATOM 0 HH22 ARG A 93 188.817 10.546 0.336 1.00 0.00 H new ATOM 1498 N LYS A 94 181.720 6.457 6.180 1.00 0.00 N ATOM 1499 CA LYS A 94 181.137 6.135 7.482 1.00 0.00 C ATOM 1500 C LYS A 94 180.322 4.842 7.416 1.00 0.00 C ATOM 1501 O LYS A 94 180.409 4.003 8.314 1.00 0.00 O ATOM 1502 CB LYS A 94 180.250 7.284 7.971 1.00 0.00 C ATOM 1503 CG LYS A 94 179.804 7.142 9.420 1.00 0.00 C ATOM 1504 CD LYS A 94 179.593 8.499 10.075 1.00 0.00 C ATOM 1505 CE LYS A 94 179.354 8.371 11.573 1.00 0.00 C ATOM 1506 NZ LYS A 94 180.630 8.282 12.340 1.00 0.00 N ATOM 0 H LYS A 94 181.383 7.329 5.772 1.00 0.00 H new ATOM 0 HA LYS A 94 181.956 5.991 8.187 1.00 0.00 H new ATOM 0 HB2 LYS A 94 180.792 8.223 7.858 1.00 0.00 H new ATOM 0 HB3 LYS A 94 179.368 7.346 7.334 1.00 0.00 H new ATOM 0 HG2 LYS A 94 178.878 6.569 9.462 1.00 0.00 H new ATOM 0 HG3 LYS A 94 180.552 6.580 9.979 1.00 0.00 H new ATOM 0 HD2 LYS A 94 180.466 9.128 9.898 1.00 0.00 H new ATOM 0 HD3 LYS A 94 178.742 8.998 9.612 1.00 0.00 H new ATOM 0 HE2 LYS A 94 178.781 9.230 11.923 1.00 0.00 H new ATOM 0 HE3 LYS A 94 178.751 7.484 11.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 180.420 8.196 13.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 181.166 7.448 12.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 181.195 9.140 12.175 1.00 0.00 H new ATOM 1520 N LEU A 95 179.532 4.686 6.349 1.00 0.00 N ATOM 1521 CA LEU A 95 178.705 3.490 6.171 1.00 0.00 C ATOM 1522 C LEU A 95 179.576 2.252 5.951 1.00 0.00 C ATOM 1523 O LEU A 95 179.274 1.175 6.465 1.00 0.00 O ATOM 1524 CB LEU A 95 177.736 3.665 4.992 1.00 0.00 C ATOM 1525 CG LEU A 95 176.298 4.042 5.372 1.00 0.00 C ATOM 1526 CD1 LEU A 95 175.675 2.972 6.258 1.00 0.00 C ATOM 1527 CD2 LEU A 95 176.262 5.398 6.064 1.00 0.00 C ATOM 0 H LEU A 95 179.448 5.371 5.598 1.00 0.00 H new ATOM 0 HA LEU A 95 178.124 3.350 7.083 1.00 0.00 H new ATOM 0 HB2 LEU A 95 178.132 4.434 4.329 1.00 0.00 H new ATOM 0 HB3 LEU A 95 177.712 2.736 4.423 1.00 0.00 H new ATOM 0 HG LEU A 95 175.712 4.109 4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 95 174.656 3.260 6.515 1.00 0.00 H new ATOM 0 HD12 LEU A 95 175.660 2.022 5.725 1.00 0.00 H new ATOM 0 HD13 LEU A 95 176.263 2.867 7.170 1.00 0.00 H new ATOM 0 HD21 LEU A 95 175.233 5.646 6.325 1.00 0.00 H new ATOM 0 HD22 LEU A 95 176.867 5.360 6.970 1.00 0.00 H new ATOM 0 HD23 LEU A 95 176.660 6.159 5.393 1.00 0.00 H new ATOM 1539 N GLN A 96 180.662 2.415 5.192 1.00 0.00 N ATOM 1540 CA GLN A 96 181.578 1.310 4.916 1.00 0.00 C ATOM 1541 C GLN A 96 182.337 0.909 6.180 1.00 0.00 C ATOM 1542 O GLN A 96 182.489 -0.279 6.468 1.00 0.00 O ATOM 1543 CB GLN A 96 182.570 1.694 3.813 1.00 0.00 C ATOM 1544 CG GLN A 96 183.295 0.503 3.202 1.00 0.00 C ATOM 1545 CD GLN A 96 184.559 0.895 2.455 1.00 0.00 C ATOM 1546 OE1 GLN A 96 184.974 2.054 2.472 1.00 0.00 O ATOM 1547 NE2 GLN A 96 185.179 -0.076 1.790 1.00 0.00 N ATOM 0 H GLN A 96 180.927 3.300 4.759 1.00 0.00 H new ATOM 0 HA GLN A 96 180.987 0.459 4.577 1.00 0.00 H new ATOM 0 HB2 GLN A 96 182.036 2.227 3.026 1.00 0.00 H new ATOM 0 HB3 GLN A 96 183.306 2.385 4.223 1.00 0.00 H new ATOM 0 HG2 GLN A 96 183.551 -0.203 3.992 1.00 0.00 H new ATOM 0 HG3 GLN A 96 182.621 -0.013 2.518 1.00 0.00 H new ATOM 0 HE21 GLN A 96 184.802 -1.024 1.802 1.00 0.00 H new ATOM 0 HE22 GLN A 96 186.032 0.127 1.268 1.00 0.00 H new ATOM 1556 N ASP A 97 182.813 1.907 6.929 1.00 0.00 N ATOM 1557 CA ASP A 97 183.560 1.658 8.162 1.00 0.00 C ATOM 1558 C ASP A 97 182.706 0.914 9.189 1.00 0.00 C ATOM 1559 O ASP A 97 183.161 -0.061 9.786 1.00 0.00 O ATOM 1560 CB ASP A 97 184.063 2.976 8.759 1.00 0.00 C ATOM 1561 CG ASP A 97 185.251 2.778 9.682 1.00 0.00 C ATOM 1562 OD1 ASP A 97 186.393 2.744 9.180 1.00 0.00 O ATOM 1563 OD2 ASP A 97 185.038 2.658 10.908 1.00 0.00 O ATOM 0 H ASP A 97 182.694 2.894 6.702 1.00 0.00 H new ATOM 0 HA ASP A 97 184.415 1.030 7.910 1.00 0.00 H new ATOM 0 HB2 ASP A 97 184.342 3.654 7.952 1.00 0.00 H new ATOM 0 HB3 ASP A 97 183.254 3.454 9.311 1.00 0.00 H new ATOM 1568 N VAL A 98 181.469 1.375 9.391 1.00 0.00 N ATOM 1569 CA VAL A 98 180.564 0.740 10.350 1.00 0.00 C ATOM 1570 C VAL A 98 180.180 -0.673 9.896 1.00 0.00 C ATOM 1571 O VAL A 98 180.157 -1.604 10.704 1.00 0.00 O ATOM 1572 CB VAL A 98 179.289 1.586 10.598 1.00 0.00 C ATOM 1573 CG1 VAL A 98 178.476 1.762 9.323 1.00 0.00 C ATOM 1574 CG2 VAL A 98 178.442 0.958 11.697 1.00 0.00 C ATOM 0 H VAL A 98 181.074 2.181 8.906 1.00 0.00 H new ATOM 0 HA VAL A 98 181.106 0.671 11.293 1.00 0.00 H new ATOM 0 HB VAL A 98 179.604 2.578 10.923 1.00 0.00 H new ATOM 0 HG11 VAL A 98 177.590 2.360 9.536 1.00 0.00 H new ATOM 0 HG12 VAL A 98 179.083 2.267 8.571 1.00 0.00 H new ATOM 0 HG13 VAL A 98 178.172 0.785 8.947 1.00 0.00 H new ATOM 0 HG21 VAL A 98 177.550 1.563 11.860 1.00 0.00 H new ATOM 0 HG22 VAL A 98 178.148 -0.049 11.399 1.00 0.00 H new ATOM 0 HG23 VAL A 98 179.021 0.909 12.619 1.00 0.00 H new ATOM 1584 N PHE A 99 179.886 -0.826 8.602 1.00 0.00 N ATOM 1585 CA PHE A 99 179.512 -2.128 8.045 1.00 0.00 C ATOM 1586 C PHE A 99 180.669 -3.120 8.156 1.00 0.00 C ATOM 1587 O PHE A 99 180.496 -4.229 8.662 1.00 0.00 O ATOM 1588 CB PHE A 99 179.093 -1.982 6.578 1.00 0.00 C ATOM 1589 CG PHE A 99 178.142 -3.050 6.110 1.00 0.00 C ATOM 1590 CD1 PHE A 99 178.615 -4.277 5.671 1.00 0.00 C ATOM 1591 CD2 PHE A 99 176.774 -2.825 6.108 1.00 0.00 C ATOM 1592 CE1 PHE A 99 177.742 -5.258 5.240 1.00 0.00 C ATOM 1593 CE2 PHE A 99 175.897 -3.802 5.678 1.00 0.00 C ATOM 1594 CZ PHE A 99 176.381 -5.021 5.243 1.00 0.00 C ATOM 0 H PHE A 99 179.900 -0.066 7.922 1.00 0.00 H new ATOM 0 HA PHE A 99 178.669 -2.510 8.620 1.00 0.00 H new ATOM 0 HB2 PHE A 99 178.627 -1.007 6.438 1.00 0.00 H new ATOM 0 HB3 PHE A 99 179.985 -2.002 5.951 1.00 0.00 H new ATOM 0 HD1 PHE A 99 179.678 -4.468 5.666 1.00 0.00 H new ATOM 0 HD2 PHE A 99 176.389 -1.874 6.447 1.00 0.00 H new ATOM 0 HE1 PHE A 99 178.124 -6.210 4.901 1.00 0.00 H new ATOM 0 HE2 PHE A 99 174.834 -3.613 5.682 1.00 0.00 H new ATOM 0 HZ PHE A 99 175.697 -5.786 4.906 1.00 0.00 H new ATOM 1604 N GLU A 100 181.849 -2.713 7.681 1.00 0.00 N ATOM 1605 CA GLU A 100 183.037 -3.566 7.727 1.00 0.00 C ATOM 1606 C GLU A 100 183.426 -3.894 9.168 1.00 0.00 C ATOM 1607 O GLU A 100 183.791 -5.030 9.474 1.00 0.00 O ATOM 1608 CB GLU A 100 184.212 -2.893 7.007 1.00 0.00 C ATOM 1609 CG GLU A 100 185.046 -3.849 6.164 1.00 0.00 C ATOM 1610 CD GLU A 100 185.583 -5.023 6.962 1.00 0.00 C ATOM 1611 OE1 GLU A 100 186.467 -4.805 7.817 1.00 0.00 O ATOM 1612 OE2 GLU A 100 185.116 -6.158 6.733 1.00 0.00 O ATOM 0 H GLU A 100 182.006 -1.797 7.260 1.00 0.00 H new ATOM 0 HA GLU A 100 182.796 -4.498 7.216 1.00 0.00 H new ATOM 0 HB2 GLU A 100 183.827 -2.100 6.366 1.00 0.00 H new ATOM 0 HB3 GLU A 100 184.857 -2.420 7.748 1.00 0.00 H new ATOM 0 HG2 GLU A 100 184.439 -4.223 5.340 1.00 0.00 H new ATOM 0 HG3 GLU A 100 185.880 -3.304 5.723 1.00 0.00 H new ATOM 1619 N MET A 101 183.345 -2.897 10.051 1.00 0.00 N ATOM 1620 CA MET A 101 183.687 -3.089 11.459 1.00 0.00 C ATOM 1621 C MET A 101 182.799 -4.158 12.093 1.00 0.00 C ATOM 1622 O MET A 101 183.290 -5.060 12.773 1.00 0.00 O ATOM 1623 CB MET A 101 183.549 -1.772 12.233 1.00 0.00 C ATOM 1624 CG MET A 101 184.817 -0.931 12.246 1.00 0.00 C ATOM 1625 SD MET A 101 185.064 -0.078 13.816 1.00 0.00 S ATOM 1626 CE MET A 101 186.852 -0.040 13.908 1.00 0.00 C ATOM 0 H MET A 101 183.046 -1.951 9.815 1.00 0.00 H new ATOM 0 HA MET A 101 184.724 -3.421 11.509 1.00 0.00 H new ATOM 0 HB2 MET A 101 182.741 -1.187 11.795 1.00 0.00 H new ATOM 0 HB3 MET A 101 183.261 -1.994 13.261 1.00 0.00 H new ATOM 0 HG2 MET A 101 185.676 -1.571 12.045 1.00 0.00 H new ATOM 0 HG3 MET A 101 184.771 -0.198 11.441 1.00 0.00 H new ATOM 0 HE1 MET A 101 187.158 0.459 14.828 1.00 0.00 H new ATOM 0 HE2 MET A 101 187.238 -1.059 13.902 1.00 0.00 H new ATOM 0 HE3 MET A 101 187.249 0.504 13.051 1.00 0.00 H new ATOM 1636 N ARG A 102 181.489 -4.053 11.861 1.00 0.00 N ATOM 1637 CA ARG A 102 180.533 -5.015 12.404 1.00 0.00 C ATOM 1638 C ARG A 102 180.714 -6.387 11.753 1.00 0.00 C ATOM 1639 O ARG A 102 180.706 -7.410 12.440 1.00 0.00 O ATOM 1640 CB ARG A 102 179.097 -4.517 12.199 1.00 0.00 C ATOM 1641 CG ARG A 102 178.436 -4.003 13.470 1.00 0.00 C ATOM 1642 CD ARG A 102 179.209 -2.842 14.082 1.00 0.00 C ATOM 1643 NE ARG A 102 179.677 -3.144 15.435 1.00 0.00 N ATOM 1644 CZ ARG A 102 178.896 -3.119 16.521 1.00 0.00 C ATOM 1645 NH1 ARG A 102 177.604 -2.807 16.421 1.00 0.00 N ATOM 1646 NH2 ARG A 102 179.408 -3.409 17.713 1.00 0.00 N ATOM 0 H ARG A 102 181.068 -3.312 11.301 1.00 0.00 H new ATOM 0 HA ARG A 102 180.721 -5.114 13.473 1.00 0.00 H new ATOM 0 HB2 ARG A 102 179.102 -3.720 11.456 1.00 0.00 H new ATOM 0 HB3 ARG A 102 178.496 -5.330 11.791 1.00 0.00 H new ATOM 0 HG2 ARG A 102 177.418 -3.684 13.246 1.00 0.00 H new ATOM 0 HG3 ARG A 102 178.364 -4.814 14.195 1.00 0.00 H new ATOM 0 HD2 ARG A 102 180.063 -2.602 13.449 1.00 0.00 H new ATOM 0 HD3 ARG A 102 178.573 -1.957 14.108 1.00 0.00 H new ATOM 0 HE ARG A 102 180.660 -3.389 15.558 1.00 0.00 H new ATOM 0 HH11 ARG A 102 177.202 -2.584 15.510 1.00 0.00 H new ATOM 0 HH12 ARG A 102 177.017 -2.791 17.255 1.00 0.00 H new ATOM 0 HH21 ARG A 102 180.395 -3.650 17.799 1.00 0.00 H new ATOM 0 HH22 ARG A 102 178.814 -3.390 18.542 1.00 0.00 H new ATOM 1660 N PHE A 103 180.882 -6.401 10.428 1.00 0.00 N ATOM 1661 CA PHE A 103 181.073 -7.648 9.686 1.00 0.00 C ATOM 1662 C PHE A 103 182.326 -8.384 10.163 1.00 0.00 C ATOM 1663 O PHE A 103 182.309 -9.602 10.341 1.00 0.00 O ATOM 1664 CB PHE A 103 181.174 -7.369 8.182 1.00 0.00 C ATOM 1665 CG PHE A 103 180.321 -8.280 7.342 1.00 0.00 C ATOM 1666 CD1 PHE A 103 180.769 -9.544 6.993 1.00 0.00 C ATOM 1667 CD2 PHE A 103 179.072 -7.872 6.903 1.00 0.00 C ATOM 1668 CE1 PHE A 103 179.988 -10.384 6.221 1.00 0.00 C ATOM 1669 CE2 PHE A 103 178.286 -8.707 6.131 1.00 0.00 C ATOM 1670 CZ PHE A 103 178.744 -9.965 5.790 1.00 0.00 C ATOM 0 H PHE A 103 180.889 -5.562 9.848 1.00 0.00 H new ATOM 0 HA PHE A 103 180.207 -8.283 9.872 1.00 0.00 H new ATOM 0 HB2 PHE A 103 180.883 -6.336 7.992 1.00 0.00 H new ATOM 0 HB3 PHE A 103 182.214 -7.470 7.871 1.00 0.00 H new ATOM 0 HD1 PHE A 103 181.740 -9.877 7.328 1.00 0.00 H new ATOM 0 HD2 PHE A 103 178.708 -6.890 7.167 1.00 0.00 H new ATOM 0 HE1 PHE A 103 180.350 -11.366 5.955 1.00 0.00 H new ATOM 0 HE2 PHE A 103 177.315 -8.376 5.795 1.00 0.00 H new ATOM 0 HZ PHE A 103 178.131 -10.619 5.188 1.00 0.00 H new ATOM 1680 N ALA A 104 183.410 -7.633 10.375 1.00 0.00 N ATOM 1681 CA ALA A 104 184.669 -8.210 10.841 1.00 0.00 C ATOM 1682 C ALA A 104 184.540 -8.720 12.275 1.00 0.00 C ATOM 1683 O ALA A 104 185.176 -9.703 12.645 1.00 0.00 O ATOM 1684 CB ALA A 104 185.798 -7.192 10.739 1.00 0.00 C ATOM 0 H ALA A 104 183.439 -6.624 10.231 1.00 0.00 H new ATOM 0 HA ALA A 104 184.907 -9.057 10.198 1.00 0.00 H new ATOM 0 HB1 ALA A 104 186.726 -7.642 11.091 1.00 0.00 H new ATOM 0 HB2 ALA A 104 185.916 -6.882 9.701 1.00 0.00 H new ATOM 0 HB3 ALA A 104 185.561 -6.323 11.352 1.00 0.00 H new ATOM 1690 N LYS A 105 183.711 -8.048 13.079 1.00 0.00 N ATOM 1691 CA LYS A 105 183.502 -8.447 14.472 1.00 0.00 C ATOM 1692 C LYS A 105 182.705 -9.750 14.555 1.00 0.00 C ATOM 1693 O LYS A 105 183.048 -10.644 15.328 1.00 0.00 O ATOM 1694 CB LYS A 105 182.777 -7.341 15.248 1.00 0.00 C ATOM 1695 CG LYS A 105 183.712 -6.421 16.019 1.00 0.00 C ATOM 1696 CD LYS A 105 182.940 -5.487 16.937 1.00 0.00 C ATOM 1697 CE LYS A 105 183.841 -4.873 17.999 1.00 0.00 C ATOM 1698 NZ LYS A 105 184.301 -3.505 17.622 1.00 0.00 N ATOM 0 H LYS A 105 183.176 -7.229 12.790 1.00 0.00 H new ATOM 0 HA LYS A 105 184.481 -8.610 14.922 1.00 0.00 H new ATOM 0 HB2 LYS A 105 182.189 -6.745 14.550 1.00 0.00 H new ATOM 0 HB3 LYS A 105 182.075 -7.799 15.945 1.00 0.00 H new ATOM 0 HG2 LYS A 105 184.409 -7.018 16.608 1.00 0.00 H new ATOM 0 HG3 LYS A 105 184.307 -5.835 15.319 1.00 0.00 H new ATOM 0 HD2 LYS A 105 182.480 -4.694 16.347 1.00 0.00 H new ATOM 0 HD3 LYS A 105 182.131 -6.036 17.419 1.00 0.00 H new ATOM 0 HE2 LYS A 105 183.304 -4.826 18.946 1.00 0.00 H new ATOM 0 HE3 LYS A 105 184.707 -5.516 18.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 184.912 -3.125 18.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 184.836 -3.552 16.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 183.477 -2.883 17.498 1.00 0.00 H new ATOM 1712 N MET A 106 181.640 -9.853 13.754 1.00 0.00 N ATOM 1713 CA MET A 106 180.803 -11.055 13.741 1.00 0.00 C ATOM 1714 C MET A 106 181.553 -12.245 13.138 1.00 0.00 C ATOM 1715 O MET A 106 181.346 -13.388 13.548 1.00 0.00 O ATOM 1716 CB MET A 106 179.494 -10.809 12.976 1.00 0.00 C ATOM 1717 CG MET A 106 179.684 -10.375 11.530 1.00 0.00 C ATOM 1718 SD MET A 106 178.231 -10.699 10.512 1.00 0.00 S ATOM 1719 CE MET A 106 178.600 -12.344 9.907 1.00 0.00 C ATOM 0 H MET A 106 181.339 -9.122 13.109 1.00 0.00 H new ATOM 0 HA MET A 106 180.558 -11.293 14.776 1.00 0.00 H new ATOM 0 HB2 MET A 106 178.900 -11.723 12.993 1.00 0.00 H new ATOM 0 HB3 MET A 106 178.919 -10.045 13.500 1.00 0.00 H new ATOM 0 HG2 MET A 106 179.913 -9.310 11.501 1.00 0.00 H new ATOM 0 HG3 MET A 106 180.543 -10.897 11.108 1.00 0.00 H new ATOM 0 HE1 MET A 106 177.686 -12.809 9.537 1.00 0.00 H new ATOM 0 HE2 MET A 106 179.327 -12.279 9.098 1.00 0.00 H new ATOM 0 HE3 MET A 106 179.011 -12.946 10.717 1.00 0.00 H new ATOM 1729 N LEU A 107 182.424 -11.972 12.163 1.00 0.00 N ATOM 1730 CA LEU A 107 183.201 -13.026 11.513 1.00 0.00 C ATOM 1731 C LEU A 107 184.453 -13.362 12.321 1.00 0.00 C ATOM 1732 O LEU A 107 184.797 -14.533 12.484 1.00 0.00 O ATOM 1733 CB LEU A 107 183.591 -12.602 10.093 1.00 0.00 C ATOM 1734 CG LEU A 107 182.595 -12.999 8.998 1.00 0.00 C ATOM 1735 CD1 LEU A 107 182.839 -12.181 7.738 1.00 0.00 C ATOM 1736 CD2 LEU A 107 182.689 -14.490 8.696 1.00 0.00 C ATOM 0 H LEU A 107 182.607 -11.033 11.809 1.00 0.00 H new ATOM 0 HA LEU A 107 182.578 -13.919 11.459 1.00 0.00 H new ATOM 0 HB2 LEU A 107 183.714 -11.519 10.075 1.00 0.00 H new ATOM 0 HB3 LEU A 107 184.562 -13.037 9.854 1.00 0.00 H new ATOM 0 HG LEU A 107 181.588 -12.789 9.358 1.00 0.00 H new ATOM 0 HD11 LEU A 107 182.124 -12.474 6.970 1.00 0.00 H new ATOM 0 HD12 LEU A 107 182.716 -11.121 7.963 1.00 0.00 H new ATOM 0 HD13 LEU A 107 183.852 -12.360 7.378 1.00 0.00 H new ATOM 0 HD21 LEU A 107 181.973 -14.749 7.916 1.00 0.00 H new ATOM 0 HD22 LEU A 107 183.697 -14.730 8.358 1.00 0.00 H new ATOM 0 HD23 LEU A 107 182.464 -15.059 9.598 1.00 0.00 H new ATOM 1748 N GLN A 108 185.128 -12.330 12.829 1.00 0.00 N ATOM 1749 CA GLN A 108 186.339 -12.518 13.625 1.00 0.00 C ATOM 1750 C GLN A 108 186.129 -12.030 15.058 1.00 0.00 C ATOM 1751 O GLN A 108 186.022 -10.800 15.259 1.00 0.00 O ATOM 1752 CB GLN A 108 187.519 -11.778 12.985 1.00 0.00 C ATOM 1753 CG GLN A 108 188.042 -12.440 11.721 1.00 0.00 C ATOM 1754 CD GLN A 108 189.498 -12.851 11.837 1.00 0.00 C ATOM 1755 OE1 GLN A 108 190.390 -12.005 11.885 1.00 0.00 O ATOM 1756 NE2 GLN A 108 189.747 -14.156 11.880 1.00 0.00 N ATOM 0 H GLN A 108 184.855 -11.355 12.703 1.00 0.00 H new ATOM 0 HA GLN A 108 186.564 -13.584 13.653 1.00 0.00 H new ATOM 0 HB2 GLN A 108 187.213 -10.758 12.751 1.00 0.00 H new ATOM 0 HB3 GLN A 108 188.330 -11.709 13.710 1.00 0.00 H new ATOM 0 HG2 GLN A 108 187.437 -13.319 11.499 1.00 0.00 H new ATOM 0 HG3 GLN A 108 187.928 -11.754 10.882 1.00 0.00 H new ATOM 0 HE21 GLN A 108 188.977 -14.824 11.837 1.00 0.00 H new ATOM 0 HE22 GLN A 108 190.708 -14.490 11.956 1.00 0.00 H new TER 1765 GLN A 108