USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 424 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 32 CYS SG : rot -149:sc= 0.38 USER MOD Set 1.2: A 35 CYS SG : rot -99:sc= 0.793 USER MOD Set 1.3: A 54 CYS SG : rot 152:sc= 1.02 USER MOD Set 1.4: A 57 CYS SG : rot -47:sc= 0.727 USER MOD Set 2.1: A 13 HIS : no HD1:sc= 1.12 K(o=2.4,f=-4.7!) USER MOD Set 2.2: A 40 SER OG : rot 146:sc= 1.24 USER MOD Set 3.1: A 17 SER OG : rot 180:sc= -0.0137 USER MOD Set 3.2: A 18 CYS SG : rot 54:sc= 0.0147 USER MOD Set 4.1: A 15 CYS SG : rot -160:sc= 0.121 USER MOD Set 4.2: A 45 CYS SG : rot 106:sc= -0.101 USER MOD Set 5.1: A 3 MET CE :methyl -136:sc= -0.123 (180deg=-0.614) USER MOD Set 5.2: A 7 SER OG : rot 120:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0971 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0.475 K(o=0.47,f=-0.68) USER MOD Single : A 11 HIS : no HD1:sc= -0.408 X(o=-0.41,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.292 K(o=-0.29,f=-4.2!) USER MOD Single : A 21 ASN : amide:sc= -0.702 K(o=-0.7,f=-3.8!) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0.0229 USER MOD Single : A 29 THR OG1 : rot -28:sc= 0.24 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.68) USER MOD Single : A 42 CYS SG : rot -160:sc= -1.75 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0762 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.272 X(o=-0.27,f=-0.3) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.861 14.187 -9.257 1.00 71.45 N ATOM 2 CA GLY A 1 -2.491 14.309 -7.860 1.00 22.24 C ATOM 3 C GLY A 1 -1.850 15.646 -7.544 1.00 62.33 C ATOM 4 O GLY A 1 -1.482 16.394 -8.449 1.00 54.23 O ATOM 0 H1 GLY A 1 -3.897 14.151 -9.340 1.00 71.45 H new ATOM 0 H2 GLY A 1 -2.499 15.007 -9.785 1.00 71.45 H new ATOM 0 H3 GLY A 1 -2.452 13.315 -9.650 1.00 71.45 H new ATOM 0 HA2 GLY A 1 -3.378 14.179 -7.240 1.00 22.24 H new ATOM 0 HA3 GLY A 1 -1.800 13.508 -7.599 1.00 22.24 H new ATOM 8 N ALA A 2 -1.717 15.947 -6.257 1.00 4.32 N ATOM 9 CA ALA A 2 -1.115 17.203 -5.825 1.00 35.14 C ATOM 10 C ALA A 2 0.100 16.953 -4.938 1.00 14.23 C ATOM 11 O ALA A 2 -0.037 16.607 -3.765 1.00 32.41 O ATOM 12 CB ALA A 2 -2.141 18.054 -5.091 1.00 31.14 C ATOM 0 H ALA A 2 -2.018 15.339 -5.495 1.00 4.32 H new ATOM 0 HA ALA A 2 -0.780 17.741 -6.712 1.00 35.14 H new ATOM 0 HB1 ALA A 2 -1.679 18.989 -4.774 1.00 31.14 H new ATOM 0 HB2 ALA A 2 -2.977 18.270 -5.756 1.00 31.14 H new ATOM 0 HB3 ALA A 2 -2.503 17.514 -4.217 1.00 31.14 H new ATOM 18 N MET A 3 1.288 17.131 -5.506 1.00 73.21 N ATOM 19 CA MET A 3 2.527 16.925 -4.766 1.00 21.14 C ATOM 20 C MET A 3 2.898 18.172 -3.969 1.00 32.54 C ATOM 21 O MET A 3 2.753 19.294 -4.451 1.00 3.01 O ATOM 22 CB MET A 3 3.664 16.561 -5.723 1.00 34.42 C ATOM 23 CG MET A 3 3.910 17.605 -6.799 1.00 52.13 C ATOM 24 SD MET A 3 5.455 17.335 -7.689 1.00 12.13 S ATOM 25 CE MET A 3 6.652 17.703 -6.408 1.00 34.33 C ATOM 0 H MET A 3 1.419 17.417 -6.476 1.00 73.21 H new ATOM 0 HA MET A 3 2.371 16.102 -4.069 1.00 21.14 H new ATOM 0 HB2 MET A 3 4.580 16.420 -5.149 1.00 34.42 H new ATOM 0 HB3 MET A 3 3.436 15.607 -6.199 1.00 34.42 H new ATOM 0 HG2 MET A 3 3.081 17.594 -7.507 1.00 52.13 H new ATOM 0 HG3 MET A 3 3.926 18.595 -6.343 1.00 52.13 H new ATOM 0 HE1 MET A 3 7.449 18.321 -6.821 1.00 34.33 H new ATOM 0 HE2 MET A 3 6.162 18.239 -5.595 1.00 34.33 H new ATOM 0 HE3 MET A 3 7.074 16.773 -6.027 1.00 34.33 H new ATOM 35 N GLY A 4 3.376 17.966 -2.745 1.00 44.11 N ATOM 36 CA GLY A 4 3.760 19.083 -1.901 1.00 74.13 C ATOM 37 C GLY A 4 3.738 18.730 -0.427 1.00 61.14 C ATOM 38 O GLY A 4 4.616 19.144 0.330 1.00 71.11 O ATOM 0 H GLY A 4 3.504 17.046 -2.323 1.00 44.11 H new ATOM 0 HA2 GLY A 4 4.761 19.416 -2.177 1.00 74.13 H new ATOM 0 HA3 GLY A 4 3.085 19.920 -2.081 1.00 74.13 H new ATOM 42 N SER A 5 2.732 17.964 -0.018 1.00 73.14 N ATOM 43 CA SER A 5 2.596 17.560 1.376 1.00 22.01 C ATOM 44 C SER A 5 3.266 16.211 1.618 1.00 23.15 C ATOM 45 O SER A 5 4.038 16.051 2.564 1.00 72.45 O ATOM 46 CB SER A 5 1.119 17.486 1.766 1.00 32.24 C ATOM 47 OG SER A 5 0.527 18.774 1.771 1.00 24.45 O ATOM 0 H SER A 5 1.999 17.611 -0.633 1.00 73.14 H new ATOM 0 HA SER A 5 3.091 18.308 1.995 1.00 22.01 H new ATOM 0 HB2 SER A 5 0.587 16.841 1.067 1.00 32.24 H new ATOM 0 HB3 SER A 5 1.023 17.034 2.753 1.00 32.24 H new ATOM 0 HG SER A 5 -0.417 18.699 2.022 1.00 24.45 H new ATOM 53 N GLU A 6 2.965 15.244 0.757 1.00 13.22 N ATOM 54 CA GLU A 6 3.537 13.908 0.878 1.00 10.51 C ATOM 55 C GLU A 6 4.850 13.807 0.107 1.00 53.15 C ATOM 56 O GLU A 6 5.793 13.152 0.549 1.00 3.33 O ATOM 57 CB GLU A 6 2.549 12.858 0.366 1.00 43.00 C ATOM 58 CG GLU A 6 3.171 11.487 0.161 1.00 31.33 C ATOM 59 CD GLU A 6 3.736 10.905 1.443 1.00 75.03 C ATOM 60 OE1 GLU A 6 3.178 11.196 2.522 1.00 43.52 O ATOM 61 OE2 GLU A 6 4.734 10.159 1.367 1.00 50.02 O ATOM 0 H GLU A 6 2.329 15.361 -0.032 1.00 13.22 H new ATOM 0 HA GLU A 6 3.740 13.721 1.933 1.00 10.51 H new ATOM 0 HB2 GLU A 6 1.724 12.772 1.074 1.00 43.00 H new ATOM 0 HB3 GLU A 6 2.125 13.200 -0.578 1.00 43.00 H new ATOM 0 HG2 GLU A 6 2.420 10.808 -0.242 1.00 31.33 H new ATOM 0 HG3 GLU A 6 3.966 11.560 -0.582 1.00 31.33 H new ATOM 68 N SER A 7 4.901 14.460 -1.050 1.00 62.54 N ATOM 69 CA SER A 7 6.096 14.440 -1.887 1.00 33.25 C ATOM 70 C SER A 7 7.327 14.849 -1.084 1.00 62.03 C ATOM 71 O SER A 7 8.354 14.171 -1.115 1.00 53.30 O ATOM 72 CB SER A 7 5.920 15.374 -3.085 1.00 43.22 C ATOM 73 OG SER A 7 6.860 15.079 -4.104 1.00 20.21 O ATOM 0 H SER A 7 4.130 15.009 -1.429 1.00 62.54 H new ATOM 0 HA SER A 7 6.241 13.422 -2.248 1.00 33.25 H new ATOM 0 HB2 SER A 7 4.909 15.278 -3.480 1.00 43.22 H new ATOM 0 HB3 SER A 7 6.040 16.409 -2.764 1.00 43.22 H new ATOM 0 HG SER A 7 6.386 14.832 -4.925 1.00 20.21 H new ATOM 79 N GLU A 8 7.215 15.963 -0.367 1.00 63.30 N ATOM 80 CA GLU A 8 8.320 16.463 0.443 1.00 51.01 C ATOM 81 C GLU A 8 7.801 17.221 1.662 1.00 62.32 C ATOM 82 O GLU A 8 6.622 17.566 1.734 1.00 23.15 O ATOM 83 CB GLU A 8 9.222 17.374 -0.392 1.00 52.40 C ATOM 84 CG GLU A 8 10.135 16.620 -1.344 1.00 51.52 C ATOM 85 CD GLU A 8 11.231 17.497 -1.918 1.00 51.13 C ATOM 86 OE1 GLU A 8 11.137 17.862 -3.109 1.00 23.41 O ATOM 87 OE2 GLU A 8 12.182 17.819 -1.176 1.00 23.21 O ATOM 0 H GLU A 8 6.372 16.536 -0.331 1.00 63.30 H new ATOM 0 HA GLU A 8 8.900 15.607 0.788 1.00 51.01 H new ATOM 0 HB2 GLU A 8 8.599 18.060 -0.966 1.00 52.40 H new ATOM 0 HB3 GLU A 8 9.831 17.981 0.278 1.00 52.40 H new ATOM 0 HG2 GLU A 8 10.586 15.778 -0.819 1.00 51.52 H new ATOM 0 HG3 GLU A 8 9.542 16.206 -2.159 1.00 51.52 H new ATOM 94 N GLN A 9 8.691 17.474 2.616 1.00 12.50 N ATOM 95 CA GLN A 9 8.323 18.190 3.832 1.00 32.32 C ATOM 96 C GLN A 9 9.518 18.946 4.402 1.00 25.42 C ATOM 97 O GLN A 9 10.617 18.400 4.506 1.00 5.52 O ATOM 98 CB GLN A 9 7.775 17.215 4.876 1.00 4.14 C ATOM 99 CG GLN A 9 6.545 16.453 4.411 1.00 0.15 C ATOM 100 CD GLN A 9 5.949 15.585 5.502 1.00 4.03 C ATOM 101 OE1 GLN A 9 6.617 15.255 6.483 1.00 12.42 O ATOM 102 NE2 GLN A 9 4.686 15.210 5.337 1.00 24.41 N ATOM 0 H GLN A 9 9.671 17.194 2.571 1.00 12.50 H new ATOM 0 HA GLN A 9 7.548 18.913 3.578 1.00 32.32 H new ATOM 0 HB2 GLN A 9 8.556 16.502 5.140 1.00 4.14 H new ATOM 0 HB3 GLN A 9 7.529 17.767 5.783 1.00 4.14 H new ATOM 0 HG2 GLN A 9 5.793 17.162 4.064 1.00 0.15 H new ATOM 0 HG3 GLN A 9 6.810 15.827 3.559 1.00 0.15 H new ATOM 0 HE21 GLN A 9 4.170 15.507 4.509 1.00 24.41 H new ATOM 0 HE22 GLN A 9 4.232 14.625 6.039 1.00 24.41 H new ATOM 111 N ARG A 10 9.297 20.203 4.770 1.00 53.44 N ATOM 112 CA ARG A 10 10.357 21.035 5.328 1.00 74.54 C ATOM 113 C ARG A 10 10.097 21.329 6.802 1.00 11.40 C ATOM 114 O ARG A 10 9.013 21.780 7.174 1.00 0.14 O ATOM 115 CB ARG A 10 10.471 22.345 4.547 1.00 52.03 C ATOM 116 CG ARG A 10 11.189 22.200 3.215 1.00 1.02 C ATOM 117 CD ARG A 10 10.239 21.752 2.116 1.00 41.15 C ATOM 118 NE ARG A 10 10.932 21.533 0.849 1.00 63.30 N ATOM 119 CZ ARG A 10 11.320 22.515 0.043 1.00 14.33 C ATOM 120 NH1 ARG A 10 11.083 23.778 0.371 1.00 10.01 N ATOM 121 NH2 ARG A 10 11.946 22.236 -1.093 1.00 35.32 N ATOM 0 H ARG A 10 8.393 20.669 4.692 1.00 53.44 H new ATOM 0 HA ARG A 10 11.296 20.488 5.245 1.00 74.54 H new ATOM 0 HB2 ARG A 10 9.471 22.741 4.370 1.00 52.03 H new ATOM 0 HB3 ARG A 10 11.000 23.077 5.157 1.00 52.03 H new ATOM 0 HG2 ARG A 10 11.643 23.152 2.939 1.00 1.02 H new ATOM 0 HG3 ARG A 10 11.999 21.478 3.314 1.00 1.02 H new ATOM 0 HD2 ARG A 10 9.741 20.832 2.420 1.00 41.15 H new ATOM 0 HD3 ARG A 10 9.462 22.505 1.979 1.00 41.15 H new ATOM 0 HE ARG A 10 11.129 20.573 0.567 1.00 63.30 H new ATOM 0 HH11 ARG A 10 10.602 23.997 1.243 1.00 10.01 H new ATOM 0 HH12 ARG A 10 11.382 24.531 -0.249 1.00 10.01 H new ATOM 0 HH21 ARG A 10 12.130 21.266 -1.349 1.00 35.32 H new ATOM 0 HH22 ARG A 10 12.243 22.992 -1.710 1.00 35.32 H new ATOM 135 N HIS A 11 11.098 21.072 7.637 1.00 24.42 N ATOM 136 CA HIS A 11 10.979 21.309 9.071 1.00 15.43 C ATOM 137 C HIS A 11 11.892 22.449 9.511 1.00 3.22 C ATOM 138 O HIS A 11 12.881 22.230 10.211 1.00 53.32 O ATOM 139 CB HIS A 11 11.318 20.038 9.851 1.00 52.45 C ATOM 140 CG HIS A 11 10.251 18.990 9.780 1.00 72.32 C ATOM 141 ND1 HIS A 11 10.051 18.052 10.771 1.00 73.24 N ATOM 142 CD2 HIS A 11 9.321 18.735 8.829 1.00 3.24 C ATOM 143 CE1 HIS A 11 9.045 17.265 10.432 1.00 63.52 C ATOM 144 NE2 HIS A 11 8.585 17.658 9.258 1.00 12.42 N ATOM 0 H HIS A 11 12.001 20.699 7.345 1.00 24.42 H new ATOM 0 HA HIS A 11 9.947 21.591 9.282 1.00 15.43 H new ATOM 0 HB2 HIS A 11 12.250 19.623 9.466 1.00 52.45 H new ATOM 0 HB3 HIS A 11 11.492 20.298 10.895 1.00 52.45 H new ATOM 0 HD2 HIS A 11 9.184 19.278 7.905 1.00 3.24 H new ATOM 0 HE1 HIS A 11 8.664 16.440 11.016 1.00 63.52 H new ATOM 0 HE2 HIS A 11 7.809 17.231 8.752 1.00 12.42 H new ATOM 152 N ALA A 12 11.555 23.666 9.096 1.00 60.34 N ATOM 153 CA ALA A 12 12.344 24.839 9.448 1.00 42.42 C ATOM 154 C ALA A 12 11.721 26.110 8.881 1.00 14.54 C ATOM 155 O ALA A 12 10.916 26.058 7.951 1.00 74.30 O ATOM 156 CB ALA A 12 13.773 24.683 8.950 1.00 45.31 C ATOM 0 H ALA A 12 10.740 23.865 8.515 1.00 60.34 H new ATOM 0 HA ALA A 12 12.357 24.925 10.535 1.00 42.42 H new ATOM 0 HB1 ALA A 12 14.351 25.567 9.220 1.00 45.31 H new ATOM 0 HB2 ALA A 12 14.223 23.802 9.407 1.00 45.31 H new ATOM 0 HB3 ALA A 12 13.770 24.569 7.866 1.00 45.31 H new ATOM 162 N HIS A 13 12.097 27.252 9.449 1.00 53.34 N ATOM 163 CA HIS A 13 11.574 28.538 9.000 1.00 74.34 C ATOM 164 C HIS A 13 12.117 28.893 7.619 1.00 71.02 C ATOM 165 O HIS A 13 13.272 29.295 7.481 1.00 11.04 O ATOM 166 CB HIS A 13 11.933 29.636 10.000 1.00 5.32 C ATOM 167 CG HIS A 13 10.966 29.751 11.138 1.00 61.41 C ATOM 168 ND1 HIS A 13 10.407 30.947 11.533 1.00 55.43 N ATOM 169 CD2 HIS A 13 10.458 28.808 11.966 1.00 1.10 C ATOM 170 CE1 HIS A 13 9.598 30.736 12.556 1.00 55.55 C ATOM 171 NE2 HIS A 13 9.611 29.446 12.838 1.00 55.21 N ATOM 0 H HIS A 13 12.761 27.313 10.221 1.00 53.34 H new ATOM 0 HA HIS A 13 10.489 28.458 8.935 1.00 74.34 H new ATOM 0 HB2 HIS A 13 12.929 29.441 10.399 1.00 5.32 H new ATOM 0 HB3 HIS A 13 11.980 30.591 9.477 1.00 5.32 H new ATOM 0 HD2 HIS A 13 10.678 27.751 11.945 1.00 1.10 H new ATOM 0 HE1 HIS A 13 9.024 31.490 13.074 1.00 55.55 H new ATOM 0 HE2 HIS A 13 9.078 28.997 13.583 1.00 55.21 H new ATOM 179 N GLN A 14 11.277 28.741 6.600 1.00 34.34 N ATOM 180 CA GLN A 14 11.674 29.044 5.231 1.00 41.33 C ATOM 181 C GLN A 14 10.624 29.907 4.538 1.00 65.23 C ATOM 182 O GLN A 14 9.515 30.078 5.044 1.00 11.01 O ATOM 183 CB GLN A 14 11.891 27.752 4.442 1.00 70.21 C ATOM 184 CG GLN A 14 13.312 27.219 4.526 1.00 21.34 C ATOM 185 CD GLN A 14 13.366 25.704 4.555 1.00 65.10 C ATOM 186 OE1 GLN A 14 12.350 25.031 4.382 1.00 14.33 O ATOM 187 NE2 GLN A 14 14.557 25.158 4.774 1.00 41.13 N ATOM 0 H GLN A 14 10.317 28.410 6.697 1.00 34.34 H new ATOM 0 HA GLN A 14 12.610 29.601 5.266 1.00 41.33 H new ATOM 0 HB2 GLN A 14 11.204 26.991 4.812 1.00 70.21 H new ATOM 0 HB3 GLN A 14 11.639 27.928 3.396 1.00 70.21 H new ATOM 0 HG2 GLN A 14 13.884 27.583 3.672 1.00 21.34 H new ATOM 0 HG3 GLN A 14 13.792 27.613 5.422 1.00 21.34 H new ATOM 0 HE21 GLN A 14 15.373 25.754 4.912 1.00 41.13 H new ATOM 0 HE22 GLN A 14 14.655 24.143 4.804 1.00 41.13 H new ATOM 196 N CYS A 15 10.982 30.448 3.378 1.00 21.44 N ATOM 197 CA CYS A 15 10.071 31.294 2.616 1.00 30.01 C ATOM 198 C CYS A 15 8.872 30.493 2.120 1.00 74.01 C ATOM 199 O CYS A 15 9.002 29.328 1.744 1.00 43.02 O ATOM 200 CB CYS A 15 10.802 31.928 1.432 1.00 55.14 C ATOM 201 SG CYS A 15 9.929 33.328 0.690 1.00 64.41 S ATOM 0 H CYS A 15 11.896 30.316 2.945 1.00 21.44 H new ATOM 0 HA CYS A 15 9.709 32.083 3.275 1.00 30.01 H new ATOM 0 HB2 CYS A 15 11.786 32.261 1.762 1.00 55.14 H new ATOM 0 HB3 CYS A 15 10.962 31.167 0.668 1.00 55.14 H new ATOM 0 HG CYS A 15 10.375 33.529 -0.514 1.00 64.41 H new ATOM 207 N VAL A 16 7.702 31.125 2.123 1.00 22.12 N ATOM 208 CA VAL A 16 6.479 30.471 1.674 1.00 13.21 C ATOM 209 C VAL A 16 6.456 30.330 0.156 1.00 4.32 C ATOM 210 O VAL A 16 5.830 29.419 -0.384 1.00 34.33 O ATOM 211 CB VAL A 16 5.228 31.250 2.125 1.00 65.32 C ATOM 212 CG1 VAL A 16 5.154 31.307 3.643 1.00 53.40 C ATOM 213 CG2 VAL A 16 5.229 32.650 1.529 1.00 25.52 C ATOM 0 H VAL A 16 7.576 32.089 2.431 1.00 22.12 H new ATOM 0 HA VAL A 16 6.465 29.480 2.128 1.00 13.21 H new ATOM 0 HB VAL A 16 4.344 30.726 1.762 1.00 65.32 H new ATOM 0 HG11 VAL A 16 4.265 31.861 3.943 1.00 53.40 H new ATOM 0 HG12 VAL A 16 5.103 30.294 4.043 1.00 53.40 H new ATOM 0 HG13 VAL A 16 6.041 31.807 4.032 1.00 53.40 H new ATOM 0 HG21 VAL A 16 4.339 33.186 1.858 1.00 25.52 H new ATOM 0 HG22 VAL A 16 6.118 33.186 1.861 1.00 25.52 H new ATOM 0 HG23 VAL A 16 5.231 32.582 0.441 1.00 25.52 H new ATOM 223 N SER A 17 7.145 31.239 -0.527 1.00 62.32 N ATOM 224 CA SER A 17 7.202 31.218 -1.984 1.00 40.01 C ATOM 225 C SER A 17 8.184 30.159 -2.474 1.00 64.34 C ATOM 226 O SER A 17 7.803 29.218 -3.172 1.00 32.12 O ATOM 227 CB SER A 17 7.608 32.593 -2.519 1.00 74.44 C ATOM 228 OG SER A 17 8.462 32.470 -3.643 1.00 51.54 O ATOM 0 H SER A 17 7.671 31.999 -0.095 1.00 62.32 H new ATOM 0 HA SER A 17 6.209 30.969 -2.359 1.00 40.01 H new ATOM 0 HB2 SER A 17 6.717 33.157 -2.795 1.00 74.44 H new ATOM 0 HB3 SER A 17 8.112 33.158 -1.735 1.00 74.44 H new ATOM 0 HG SER A 17 8.706 33.362 -3.967 1.00 51.54 H new ATOM 234 N CYS A 18 9.450 30.319 -2.105 1.00 62.10 N ATOM 235 CA CYS A 18 10.489 29.377 -2.507 1.00 41.32 C ATOM 236 C CYS A 18 10.968 28.554 -1.316 1.00 11.43 C ATOM 237 O CYS A 18 10.615 27.385 -1.174 1.00 34.51 O ATOM 238 CB CYS A 18 11.668 30.123 -3.134 1.00 12.51 C ATOM 239 SG CYS A 18 11.337 30.767 -4.791 1.00 0.42 S ATOM 0 H CYS A 18 9.782 31.092 -1.528 1.00 62.10 H new ATOM 0 HA CYS A 18 10.063 28.698 -3.246 1.00 41.32 H new ATOM 0 HB2 CYS A 18 11.948 30.951 -2.483 1.00 12.51 H new ATOM 0 HB3 CYS A 18 12.525 29.451 -3.181 1.00 12.51 H new ATOM 0 HG CYS A 18 10.264 31.501 -4.765 1.00 0.42 H new ATOM 245 N GLY A 19 11.777 29.174 -0.461 1.00 54.34 N ATOM 246 CA GLY A 19 12.293 28.484 0.706 1.00 75.40 C ATOM 247 C GLY A 19 13.623 29.043 1.170 1.00 53.21 C ATOM 248 O GLY A 19 14.508 28.294 1.584 1.00 41.31 O ATOM 0 H GLY A 19 12.084 30.142 -0.557 1.00 54.34 H new ATOM 0 HA2 GLY A 19 11.569 28.558 1.517 1.00 75.40 H new ATOM 0 HA3 GLY A 19 12.408 27.425 0.476 1.00 75.40 H new ATOM 252 N ILE A 20 13.765 30.362 1.099 1.00 14.55 N ATOM 253 CA ILE A 20 14.997 31.021 1.515 1.00 32.02 C ATOM 254 C ILE A 20 15.353 30.663 2.954 1.00 13.42 C ATOM 255 O ILE A 20 14.474 30.514 3.803 1.00 64.45 O ATOM 256 CB ILE A 20 14.886 32.552 1.391 1.00 44.11 C ATOM 257 CG1 ILE A 20 14.600 32.949 -0.059 1.00 21.50 C ATOM 258 CG2 ILE A 20 16.162 33.217 1.885 1.00 23.04 C ATOM 259 CD1 ILE A 20 13.183 33.427 -0.286 1.00 61.41 C ATOM 0 H ILE A 20 13.042 30.996 0.757 1.00 14.55 H new ATOM 0 HA ILE A 20 15.784 30.667 0.850 1.00 32.02 H new ATOM 0 HB ILE A 20 14.057 32.893 2.012 1.00 44.11 H new ATOM 0 HG12 ILE A 20 15.293 33.737 -0.355 1.00 21.50 H new ATOM 0 HG13 ILE A 20 14.795 32.094 -0.706 1.00 21.50 H new ATOM 0 HG21 ILE A 20 16.068 34.299 1.791 1.00 23.04 H new ATOM 0 HG22 ILE A 20 16.327 32.956 2.930 1.00 23.04 H new ATOM 0 HG23 ILE A 20 17.006 32.873 1.288 1.00 23.04 H new ATOM 0 HD11 ILE A 20 13.052 33.691 -1.335 1.00 61.41 H new ATOM 0 HD12 ILE A 20 12.484 32.633 -0.022 1.00 61.41 H new ATOM 0 HD13 ILE A 20 12.990 34.302 0.335 1.00 61.41 H new ATOM 271 N ASN A 21 16.648 30.530 3.222 1.00 34.30 N ATOM 272 CA ASN A 21 17.121 30.191 4.559 1.00 34.04 C ATOM 273 C ASN A 21 17.048 31.402 5.485 1.00 71.31 C ATOM 274 O ASN A 21 18.074 31.930 5.913 1.00 2.44 O ATOM 275 CB ASN A 21 18.557 29.668 4.498 1.00 71.43 C ATOM 276 CG ASN A 21 19.469 30.576 3.697 1.00 45.23 C ATOM 277 OD1 ASN A 21 19.157 31.745 3.471 1.00 1.51 O ATOM 278 ND2 ASN A 21 20.604 30.041 3.262 1.00 24.25 N ATOM 0 H ASN A 21 17.388 30.652 2.531 1.00 34.30 H new ATOM 0 HA ASN A 21 16.474 29.410 4.959 1.00 34.04 H new ATOM 0 HB2 ASN A 21 18.947 29.567 5.511 1.00 71.43 H new ATOM 0 HB3 ASN A 21 18.560 28.672 4.055 1.00 71.43 H new ATOM 0 HD21 ASN A 21 21.257 30.604 2.717 1.00 24.25 H new ATOM 0 HD22 ASN A 21 20.822 29.067 3.473 1.00 24.25 H new ATOM 285 N ILE A 22 15.829 31.835 5.789 1.00 21.42 N ATOM 286 CA ILE A 22 15.623 32.981 6.665 1.00 11.31 C ATOM 287 C ILE A 22 15.166 32.539 8.051 1.00 55.20 C ATOM 288 O ILE A 22 14.360 33.212 8.694 1.00 44.10 O ATOM 289 CB ILE A 22 14.584 33.956 6.081 1.00 53.34 C ATOM 290 CG1 ILE A 22 13.286 33.215 5.750 1.00 4.52 C ATOM 291 CG2 ILE A 22 15.139 34.642 4.841 1.00 21.22 C ATOM 292 CD1 ILE A 22 12.138 34.135 5.400 1.00 14.34 C ATOM 0 H ILE A 22 14.970 31.409 5.442 1.00 21.42 H new ATOM 0 HA ILE A 22 16.583 33.491 6.747 1.00 11.31 H new ATOM 0 HB ILE A 22 14.365 34.719 6.827 1.00 53.34 H new ATOM 0 HG12 ILE A 22 13.466 32.538 4.915 1.00 4.52 H new ATOM 0 HG13 ILE A 22 13.001 32.600 6.603 1.00 4.52 H new ATOM 0 HG21 ILE A 22 14.393 35.328 4.440 1.00 21.22 H new ATOM 0 HG22 ILE A 22 16.039 35.198 5.105 1.00 21.22 H new ATOM 0 HG23 ILE A 22 15.384 33.892 4.089 1.00 21.22 H new ATOM 0 HD11 ILE A 22 11.251 33.542 5.177 1.00 14.34 H new ATOM 0 HD12 ILE A 22 11.931 34.795 6.242 1.00 14.34 H new ATOM 0 HD13 ILE A 22 12.403 34.733 4.528 1.00 14.34 H new ATOM 304 N ALA A 23 15.686 31.404 8.506 1.00 43.31 N ATOM 305 CA ALA A 23 15.335 30.874 9.817 1.00 13.13 C ATOM 306 C ALA A 23 15.815 31.799 10.930 1.00 14.53 C ATOM 307 O ALA A 23 17.015 31.989 11.119 1.00 64.02 O ATOM 308 CB ALA A 23 15.920 29.481 9.998 1.00 54.15 C ATOM 0 H ALA A 23 16.352 30.834 7.985 1.00 43.31 H new ATOM 0 HA ALA A 23 14.248 30.810 9.876 1.00 13.13 H new ATOM 0 HB1 ALA A 23 15.650 29.098 10.982 1.00 54.15 H new ATOM 0 HB2 ALA A 23 15.524 28.818 9.229 1.00 54.15 H new ATOM 0 HB3 ALA A 23 17.006 29.528 9.913 1.00 54.15 H new ATOM 314 N GLY A 24 14.867 32.375 11.665 1.00 24.43 N ATOM 315 CA GLY A 24 15.214 33.274 12.750 1.00 40.20 C ATOM 316 C GLY A 24 15.826 34.570 12.256 1.00 53.05 C ATOM 317 O GLY A 24 16.470 35.290 13.017 1.00 3.13 O ATOM 0 H GLY A 24 13.866 32.235 11.528 1.00 24.43 H new ATOM 0 HA2 GLY A 24 14.320 33.497 13.333 1.00 40.20 H new ATOM 0 HA3 GLY A 24 15.916 32.777 13.420 1.00 40.20 H new ATOM 321 N MET A 25 15.625 34.867 10.976 1.00 72.12 N ATOM 322 CA MET A 25 16.162 36.085 10.381 1.00 63.03 C ATOM 323 C MET A 25 15.195 37.251 10.561 1.00 72.55 C ATOM 324 O MET A 25 14.132 37.100 11.164 1.00 45.22 O ATOM 325 CB MET A 25 16.448 35.869 8.893 1.00 34.44 C ATOM 326 CG MET A 25 17.760 35.150 8.625 1.00 73.24 C ATOM 327 SD MET A 25 19.199 36.162 9.017 1.00 43.12 S ATOM 328 CE MET A 25 19.654 36.750 7.387 1.00 21.12 C ATOM 0 H MET A 25 15.094 34.281 10.331 1.00 72.12 H new ATOM 0 HA MET A 25 17.094 36.328 10.891 1.00 63.03 H new ATOM 0 HB2 MET A 25 15.632 35.295 8.454 1.00 34.44 H new ATOM 0 HB3 MET A 25 16.464 36.836 8.390 1.00 34.44 H new ATOM 0 HG2 MET A 25 17.794 34.233 9.214 1.00 73.24 H new ATOM 0 HG3 MET A 25 17.802 34.857 7.576 1.00 73.24 H new ATOM 0 HE1 MET A 25 20.532 37.392 7.464 1.00 21.12 H new ATOM 0 HE2 MET A 25 19.881 35.900 6.744 1.00 21.12 H new ATOM 0 HE3 MET A 25 18.826 37.316 6.960 1.00 21.12 H new ATOM 338 N SER A 26 15.570 38.412 10.034 1.00 72.24 N ATOM 339 CA SER A 26 14.737 39.604 10.140 1.00 72.11 C ATOM 340 C SER A 26 13.797 39.719 8.943 1.00 24.32 C ATOM 341 O SER A 26 13.668 40.785 8.342 1.00 71.41 O ATOM 342 CB SER A 26 15.611 40.856 10.238 1.00 20.43 C ATOM 343 OG SER A 26 16.655 40.825 9.281 1.00 41.04 O ATOM 0 H SER A 26 16.445 38.553 9.529 1.00 72.24 H new ATOM 0 HA SER A 26 14.136 39.517 11.045 1.00 72.11 H new ATOM 0 HB2 SER A 26 14.998 41.744 10.084 1.00 20.43 H new ATOM 0 HB3 SER A 26 16.034 40.931 11.240 1.00 20.43 H new ATOM 0 HG SER A 26 17.198 41.637 9.363 1.00 41.04 H new ATOM 349 N ALA A 27 13.144 38.612 8.604 1.00 41.34 N ATOM 350 CA ALA A 27 12.215 38.588 7.481 1.00 61.03 C ATOM 351 C ALA A 27 10.783 38.826 7.948 1.00 61.03 C ATOM 352 O ALA A 27 10.484 38.731 9.138 1.00 64.34 O ATOM 353 CB ALA A 27 12.317 37.263 6.740 1.00 44.03 C ATOM 0 H ALA A 27 13.241 37.721 9.091 1.00 41.34 H new ATOM 0 HA ALA A 27 12.486 39.395 6.800 1.00 61.03 H new ATOM 0 HB1 ALA A 27 11.618 37.259 5.904 1.00 44.03 H new ATOM 0 HB2 ALA A 27 13.332 37.133 6.365 1.00 44.03 H new ATOM 0 HB3 ALA A 27 12.074 36.446 7.420 1.00 44.03 H new ATOM 359 N ALA A 28 9.901 39.137 7.003 1.00 64.40 N ATOM 360 CA ALA A 28 8.500 39.387 7.318 1.00 25.10 C ATOM 361 C ALA A 28 7.887 38.208 8.066 1.00 1.44 C ATOM 362 O ALA A 28 7.563 37.181 7.470 1.00 74.01 O ATOM 363 CB ALA A 28 7.716 39.673 6.046 1.00 63.31 C ATOM 0 H ALA A 28 10.132 39.222 6.013 1.00 64.40 H new ATOM 0 HA ALA A 28 8.449 40.261 7.967 1.00 25.10 H new ATOM 0 HB1 ALA A 28 6.671 39.858 6.296 1.00 63.31 H new ATOM 0 HB2 ALA A 28 8.132 40.551 5.552 1.00 63.31 H new ATOM 0 HB3 ALA A 28 7.782 38.815 5.377 1.00 63.31 H new ATOM 369 N THR A 29 7.731 38.363 9.378 1.00 73.53 N ATOM 370 CA THR A 29 7.158 37.311 10.208 1.00 21.40 C ATOM 371 C THR A 29 5.760 37.687 10.686 1.00 4.11 C ATOM 372 O THR A 29 5.521 38.820 11.104 1.00 14.02 O ATOM 373 CB THR A 29 8.045 37.016 11.432 1.00 21.23 C ATOM 374 OG1 THR A 29 9.361 37.541 11.222 1.00 34.20 O ATOM 375 CG2 THR A 29 8.127 35.519 11.694 1.00 55.42 C ATOM 0 H THR A 29 7.994 39.207 9.888 1.00 73.53 H new ATOM 0 HA THR A 29 7.098 36.417 9.588 1.00 21.40 H new ATOM 0 HB THR A 29 7.597 37.497 12.301 1.00 21.23 H new ATOM 0 HG1 THR A 29 9.557 37.557 10.262 1.00 34.20 H new ATOM 0 HG21 THR A 29 8.759 35.336 12.563 1.00 55.42 H new ATOM 0 HG22 THR A 29 7.127 35.127 11.883 1.00 55.42 H new ATOM 0 HG23 THR A 29 8.554 35.020 10.824 1.00 55.42 H new ATOM 383 N PHE A 30 4.841 36.730 10.623 1.00 54.14 N ATOM 384 CA PHE A 30 3.466 36.962 11.049 1.00 35.23 C ATOM 385 C PHE A 30 2.814 35.663 11.514 1.00 20.31 C ATOM 386 O PHE A 30 3.418 34.592 11.445 1.00 1.04 O ATOM 387 CB PHE A 30 2.651 37.574 9.908 1.00 62.14 C ATOM 388 CG PHE A 30 2.634 36.731 8.665 1.00 41.05 C ATOM 389 CD1 PHE A 30 3.719 36.721 7.803 1.00 2.41 C ATOM 390 CD2 PHE A 30 1.532 35.949 8.357 1.00 25.22 C ATOM 391 CE1 PHE A 30 3.707 35.947 6.658 1.00 32.45 C ATOM 392 CE2 PHE A 30 1.515 35.172 7.214 1.00 34.35 C ATOM 393 CZ PHE A 30 2.602 35.172 6.363 1.00 25.54 C ATOM 0 H PHE A 30 5.023 35.786 10.281 1.00 54.14 H new ATOM 0 HA PHE A 30 3.485 37.659 11.887 1.00 35.23 H new ATOM 0 HB2 PHE A 30 1.627 37.729 10.246 1.00 62.14 H new ATOM 0 HB3 PHE A 30 3.059 38.555 9.666 1.00 62.14 H new ATOM 0 HD1 PHE A 30 4.585 37.326 8.029 1.00 2.41 H new ATOM 0 HD2 PHE A 30 0.677 35.947 9.017 1.00 25.22 H new ATOM 0 HE1 PHE A 30 4.560 35.948 5.995 1.00 32.45 H new ATOM 0 HE2 PHE A 30 0.651 34.565 6.987 1.00 34.35 H new ATOM 0 HZ PHE A 30 2.589 34.567 5.468 1.00 25.54 H new ATOM 403 N LYS A 31 1.577 35.765 11.988 1.00 20.13 N ATOM 404 CA LYS A 31 0.841 34.600 12.465 1.00 70.25 C ATOM 405 C LYS A 31 -0.380 34.332 11.590 1.00 45.34 C ATOM 406 O LYS A 31 -1.223 35.209 11.400 1.00 13.21 O ATOM 407 CB LYS A 31 0.405 34.805 13.917 1.00 2.01 C ATOM 408 CG LYS A 31 -0.524 33.719 14.433 1.00 44.43 C ATOM 409 CD LYS A 31 -0.998 34.016 15.845 1.00 11.14 C ATOM 410 CE LYS A 31 0.141 33.916 16.848 1.00 32.35 C ATOM 411 NZ LYS A 31 -0.299 34.277 18.225 1.00 62.33 N ATOM 0 H LYS A 31 1.063 36.643 12.052 1.00 20.13 H new ATOM 0 HA LYS A 31 1.503 33.736 12.410 1.00 70.25 H new ATOM 0 HB2 LYS A 31 1.291 34.845 14.551 1.00 2.01 H new ATOM 0 HB3 LYS A 31 -0.094 35.770 14.005 1.00 2.01 H new ATOM 0 HG2 LYS A 31 -1.385 33.630 13.770 1.00 44.43 H new ATOM 0 HG3 LYS A 31 -0.008 32.759 14.416 1.00 44.43 H new ATOM 0 HD2 LYS A 31 -1.430 35.016 15.882 1.00 11.14 H new ATOM 0 HD3 LYS A 31 -1.788 33.317 16.119 1.00 11.14 H new ATOM 0 HE2 LYS A 31 0.537 32.900 16.848 1.00 32.35 H new ATOM 0 HE3 LYS A 31 0.953 34.575 16.542 1.00 32.35 H new ATOM 0 HZ1 LYS A 31 0.506 34.196 18.879 1.00 62.33 H new ATOM 0 HZ2 LYS A 31 -0.653 35.255 18.231 1.00 62.33 H new ATOM 0 HZ3 LYS A 31 -1.057 33.632 18.528 1.00 62.33 H new ATOM 425 N CYS A 32 -0.467 33.117 11.060 1.00 13.14 N ATOM 426 CA CYS A 32 -1.586 32.734 10.206 1.00 43.21 C ATOM 427 C CYS A 32 -2.892 32.724 10.993 1.00 74.05 C ATOM 428 O CYS A 32 -3.023 32.055 12.017 1.00 33.45 O ATOM 429 CB CYS A 32 -1.336 31.357 9.590 1.00 20.44 C ATOM 430 SG CYS A 32 -2.449 30.945 8.226 1.00 44.11 S ATOM 0 H CYS A 32 0.223 32.381 11.206 1.00 13.14 H new ATOM 0 HA CYS A 32 -1.671 33.471 9.407 1.00 43.21 H new ATOM 0 HB2 CYS A 32 -0.308 31.313 9.232 1.00 20.44 H new ATOM 0 HB3 CYS A 32 -1.436 30.600 10.367 1.00 20.44 H new ATOM 0 HG CYS A 32 -2.643 29.660 8.197 1.00 44.11 H new ATOM 436 N PRO A 33 -3.883 33.485 10.504 1.00 32.22 N ATOM 437 CA PRO A 33 -5.197 33.581 11.147 1.00 53.33 C ATOM 438 C PRO A 33 -5.998 32.289 11.026 1.00 1.11 C ATOM 439 O PRO A 33 -7.077 32.160 11.604 1.00 12.20 O ATOM 440 CB PRO A 33 -5.886 34.711 10.377 1.00 33.02 C ATOM 441 CG PRO A 33 -5.223 34.720 9.043 1.00 0.23 C ATOM 442 CD PRO A 33 -3.797 34.309 9.287 1.00 73.11 C ATOM 0 HA PRO A 33 -5.114 33.764 12.218 1.00 53.33 H new ATOM 0 HB2 PRO A 33 -6.957 34.532 10.285 1.00 33.02 H new ATOM 0 HB3 PRO A 33 -5.765 35.668 10.886 1.00 33.02 H new ATOM 0 HG2 PRO A 33 -5.716 34.031 8.357 1.00 0.23 H new ATOM 0 HG3 PRO A 33 -5.272 35.710 8.590 1.00 0.23 H new ATOM 0 HD2 PRO A 33 -3.392 33.744 8.447 1.00 73.11 H new ATOM 0 HD3 PRO A 33 -3.149 35.173 9.432 1.00 73.11 H new ATOM 450 N ASP A 34 -5.462 31.335 10.273 1.00 53.14 N ATOM 451 CA ASP A 34 -6.127 30.052 10.078 1.00 65.45 C ATOM 452 C ASP A 34 -5.693 29.048 11.142 1.00 41.15 C ATOM 453 O ASP A 34 -6.528 28.446 11.818 1.00 63.22 O ATOM 454 CB ASP A 34 -5.820 29.501 8.684 1.00 24.11 C ATOM 455 CG ASP A 34 -6.898 28.560 8.183 1.00 42.42 C ATOM 456 OD1 ASP A 34 -7.759 28.159 8.993 1.00 13.03 O ATOM 457 OD2 ASP A 34 -6.881 28.226 6.980 1.00 43.32 O ATOM 0 H ASP A 34 -4.569 31.426 9.788 1.00 53.14 H new ATOM 0 HA ASP A 34 -7.202 30.210 10.169 1.00 65.45 H new ATOM 0 HB2 ASP A 34 -5.712 30.330 7.985 1.00 24.11 H new ATOM 0 HB3 ASP A 34 -4.865 28.976 8.706 1.00 24.11 H new ATOM 462 N CYS A 35 -4.384 28.873 11.283 1.00 21.23 N ATOM 463 CA CYS A 35 -3.839 27.940 12.264 1.00 51.40 C ATOM 464 C CYS A 35 -3.073 28.683 13.353 1.00 3.44 C ATOM 465 O CYS A 35 -3.217 28.389 14.539 1.00 25.41 O ATOM 466 CB CYS A 35 -2.922 26.926 11.579 1.00 3.24 C ATOM 467 SG CYS A 35 -1.728 27.663 10.438 1.00 34.20 S ATOM 0 H CYS A 35 -3.680 29.364 10.731 1.00 21.23 H new ATOM 0 HA CYS A 35 -4.671 27.411 12.728 1.00 51.40 H new ATOM 0 HB2 CYS A 35 -2.381 26.367 12.343 1.00 3.24 H new ATOM 0 HB3 CYS A 35 -3.535 26.209 11.033 1.00 3.24 H new ATOM 0 HG CYS A 35 -2.163 27.545 9.219 1.00 34.20 H new ATOM 473 N GLY A 36 -2.256 29.649 12.942 1.00 21.30 N ATOM 474 CA GLY A 36 -1.477 30.418 13.895 1.00 33.20 C ATOM 475 C GLY A 36 -0.019 30.005 13.919 1.00 1.13 C ATOM 476 O GLY A 36 0.686 30.254 14.896 1.00 4.55 O ATOM 0 H GLY A 36 -2.120 29.912 11.966 1.00 21.30 H new ATOM 0 HA2 GLY A 36 -1.547 31.477 13.647 1.00 33.20 H new ATOM 0 HA3 GLY A 36 -1.903 30.295 14.891 1.00 33.20 H new ATOM 480 N GLN A 37 0.433 29.371 12.842 1.00 21.02 N ATOM 481 CA GLN A 37 1.817 28.921 12.746 1.00 74.22 C ATOM 482 C GLN A 37 2.727 30.055 12.287 1.00 62.25 C ATOM 483 O GLN A 37 2.511 30.647 11.230 1.00 64.45 O ATOM 484 CB GLN A 37 1.925 27.741 11.779 1.00 72.51 C ATOM 485 CG GLN A 37 1.039 26.564 12.154 1.00 75.33 C ATOM 486 CD GLN A 37 1.786 25.491 12.922 1.00 40.44 C ATOM 487 OE1 GLN A 37 2.816 25.759 13.541 1.00 12.23 O ATOM 488 NE2 GLN A 37 1.270 24.268 12.885 1.00 43.31 N ATOM 0 H GLN A 37 -0.138 29.157 12.024 1.00 21.02 H new ATOM 0 HA GLN A 37 2.139 28.600 13.737 1.00 74.22 H new ATOM 0 HB2 GLN A 37 1.662 28.078 10.776 1.00 72.51 H new ATOM 0 HB3 GLN A 37 2.962 27.407 11.741 1.00 72.51 H new ATOM 0 HG2 GLN A 37 0.203 26.921 12.756 1.00 75.33 H new ATOM 0 HG3 GLN A 37 0.617 26.129 11.248 1.00 75.33 H new ATOM 0 HE21 GLN A 37 0.414 24.091 12.359 1.00 43.31 H new ATOM 0 HE22 GLN A 37 1.730 23.505 13.383 1.00 43.31 H new ATOM 497 N GLU A 38 3.745 30.352 13.089 1.00 71.13 N ATOM 498 CA GLU A 38 4.687 31.416 12.764 1.00 41.31 C ATOM 499 C GLU A 38 5.232 31.247 11.349 1.00 40.45 C ATOM 500 O GLU A 38 5.957 30.295 11.061 1.00 21.50 O ATOM 501 CB GLU A 38 5.841 31.430 13.768 1.00 24.02 C ATOM 502 CG GLU A 38 6.534 32.778 13.881 1.00 20.41 C ATOM 503 CD GLU A 38 7.480 32.850 15.064 1.00 14.34 C ATOM 504 OE1 GLU A 38 7.613 33.944 15.652 1.00 51.03 O ATOM 505 OE2 GLU A 38 8.086 31.812 15.403 1.00 41.31 O ATOM 0 H GLU A 38 3.938 29.871 13.968 1.00 71.13 H new ATOM 0 HA GLU A 38 4.155 32.366 12.819 1.00 41.31 H new ATOM 0 HB2 GLU A 38 5.462 31.143 14.749 1.00 24.02 H new ATOM 0 HB3 GLU A 38 6.574 30.678 13.477 1.00 24.02 H new ATOM 0 HG2 GLU A 38 7.089 32.975 12.964 1.00 20.41 H new ATOM 0 HG3 GLU A 38 5.783 33.562 13.973 1.00 20.41 H new ATOM 512 N ILE A 39 4.877 32.178 10.469 1.00 11.13 N ATOM 513 CA ILE A 39 5.330 32.133 9.085 1.00 62.13 C ATOM 514 C ILE A 39 6.490 33.096 8.854 1.00 32.11 C ATOM 515 O ILE A 39 6.486 34.220 9.356 1.00 72.01 O ATOM 516 CB ILE A 39 4.190 32.476 8.108 1.00 44.34 C ATOM 517 CG1 ILE A 39 2.901 31.767 8.525 1.00 74.23 C ATOM 518 CG2 ILE A 39 4.577 32.093 6.687 1.00 32.40 C ATOM 519 CD1 ILE A 39 1.749 31.996 7.571 1.00 62.01 C ATOM 0 H ILE A 39 4.277 32.972 10.691 1.00 11.13 H new ATOM 0 HA ILE A 39 5.665 31.113 8.896 1.00 62.13 H new ATOM 0 HB ILE A 39 4.016 33.552 8.139 1.00 44.34 H new ATOM 0 HG12 ILE A 39 3.093 30.697 8.600 1.00 74.23 H new ATOM 0 HG13 ILE A 39 2.613 32.110 9.519 1.00 74.23 H new ATOM 0 HG21 ILE A 39 3.761 32.342 6.008 1.00 32.40 H new ATOM 0 HG22 ILE A 39 5.473 32.641 6.394 1.00 32.40 H new ATOM 0 HG23 ILE A 39 4.775 31.022 6.640 1.00 32.40 H new ATOM 0 HD11 ILE A 39 0.868 31.464 7.930 1.00 62.01 H new ATOM 0 HD12 ILE A 39 1.530 33.062 7.514 1.00 62.01 H new ATOM 0 HD13 ILE A 39 2.018 31.627 6.581 1.00 62.01 H new ATOM 531 N SER A 40 7.481 32.648 8.090 1.00 10.01 N ATOM 532 CA SER A 40 8.649 33.469 7.794 1.00 50.31 C ATOM 533 C SER A 40 8.798 33.680 6.290 1.00 31.12 C ATOM 534 O SER A 40 9.075 32.740 5.545 1.00 32.32 O ATOM 535 CB SER A 40 9.913 32.817 8.357 1.00 43.22 C ATOM 536 OG SER A 40 10.043 33.070 9.745 1.00 33.11 O ATOM 0 H SER A 40 7.498 31.721 7.665 1.00 10.01 H new ATOM 0 HA SER A 40 8.509 34.441 8.267 1.00 50.31 H new ATOM 0 HB2 SER A 40 9.880 31.742 8.182 1.00 43.22 H new ATOM 0 HB3 SER A 40 10.788 33.199 7.831 1.00 43.22 H new ATOM 0 HG SER A 40 10.454 32.295 10.182 1.00 33.11 H new ATOM 542 N ARG A 41 8.612 34.921 5.852 1.00 71.54 N ATOM 543 CA ARG A 41 8.724 35.256 4.437 1.00 31.41 C ATOM 544 C ARG A 41 9.884 36.217 4.196 1.00 2.04 C ATOM 545 O ARG A 41 10.003 37.243 4.868 1.00 60.40 O ATOM 546 CB ARG A 41 7.420 35.877 3.933 1.00 31.14 C ATOM 547 CG ARG A 41 6.225 34.941 4.022 1.00 3.34 C ATOM 548 CD ARG A 41 4.991 35.551 3.377 1.00 13.33 C ATOM 549 NE ARG A 41 4.797 36.943 3.774 1.00 12.34 N ATOM 550 CZ ARG A 41 3.990 37.784 3.136 1.00 3.12 C ATOM 551 NH1 ARG A 41 3.306 37.376 2.076 1.00 21.15 N ATOM 552 NH2 ARG A 41 3.867 39.036 3.558 1.00 12.02 N ATOM 0 H ARG A 41 8.383 35.711 6.456 1.00 71.54 H new ATOM 0 HA ARG A 41 8.917 34.336 3.886 1.00 31.41 H new ATOM 0 HB2 ARG A 41 7.209 36.777 4.510 1.00 31.14 H new ATOM 0 HB3 ARG A 41 7.552 36.187 2.896 1.00 31.14 H new ATOM 0 HG2 ARG A 41 6.464 33.997 3.533 1.00 3.34 H new ATOM 0 HG3 ARG A 41 6.016 34.714 5.067 1.00 3.34 H new ATOM 0 HD2 ARG A 41 5.083 35.493 2.292 1.00 13.33 H new ATOM 0 HD3 ARG A 41 4.112 34.969 3.654 1.00 13.33 H new ATOM 0 HE ARG A 41 5.309 37.289 4.586 1.00 12.34 H new ATOM 0 HH11 ARG A 41 3.399 36.414 1.748 1.00 21.15 H new ATOM 0 HH12 ARG A 41 2.687 38.024 1.588 1.00 21.15 H new ATOM 0 HH21 ARG A 41 4.392 39.353 4.373 1.00 12.02 H new ATOM 0 HH22 ARG A 41 3.247 39.681 3.068 1.00 12.02 H new ATOM 566 N CYS A 42 10.737 35.878 3.236 1.00 54.33 N ATOM 567 CA CYS A 42 11.888 36.711 2.907 1.00 25.31 C ATOM 568 C CYS A 42 11.447 38.020 2.261 1.00 73.30 C ATOM 569 O CYS A 42 10.314 38.142 1.795 1.00 42.24 O ATOM 570 CB CYS A 42 12.836 35.960 1.970 1.00 31.35 C ATOM 571 SG CYS A 42 14.556 36.511 2.063 1.00 74.31 S ATOM 0 H CYS A 42 10.653 35.032 2.672 1.00 54.33 H new ATOM 0 HA CYS A 42 12.413 36.944 3.834 1.00 25.31 H new ATOM 0 HB2 CYS A 42 12.793 34.896 2.204 1.00 31.35 H new ATOM 0 HB3 CYS A 42 12.484 36.076 0.945 1.00 31.35 H new ATOM 0 HG CYS A 42 15.187 36.147 0.986 1.00 74.31 H new ATOM 577 N SER A 43 12.348 38.996 2.239 1.00 41.34 N ATOM 578 CA SER A 43 12.050 40.299 1.655 1.00 73.23 C ATOM 579 C SER A 43 11.484 40.146 0.246 1.00 32.12 C ATOM 580 O SER A 43 10.508 40.802 -0.118 1.00 73.24 O ATOM 581 CB SER A 43 13.310 41.166 1.619 1.00 14.01 C ATOM 582 OG SER A 43 14.148 40.893 2.728 1.00 1.13 O ATOM 0 H SER A 43 13.291 38.910 2.619 1.00 41.34 H new ATOM 0 HA SER A 43 11.300 40.786 2.279 1.00 73.23 H new ATOM 0 HB2 SER A 43 13.855 40.982 0.693 1.00 14.01 H new ATOM 0 HB3 SER A 43 13.031 42.220 1.621 1.00 14.01 H new ATOM 0 HG SER A 43 14.947 41.458 2.681 1.00 1.13 H new ATOM 588 N LYS A 44 12.104 39.275 -0.542 1.00 61.34 N ATOM 589 CA LYS A 44 11.664 39.032 -1.911 1.00 52.51 C ATOM 590 C LYS A 44 10.178 38.690 -1.952 1.00 52.42 C ATOM 591 O LYS A 44 9.472 39.061 -2.891 1.00 13.24 O ATOM 592 CB LYS A 44 12.477 37.897 -2.537 1.00 32.12 C ATOM 593 CG LYS A 44 13.976 38.142 -2.521 1.00 72.03 C ATOM 594 CD LYS A 44 14.382 39.178 -3.556 1.00 1.01 C ATOM 595 CE LYS A 44 15.768 39.736 -3.271 1.00 62.14 C ATOM 596 NZ LYS A 44 15.727 40.842 -2.276 1.00 1.35 N ATOM 0 H LYS A 44 12.914 38.725 -0.256 1.00 61.34 H new ATOM 0 HA LYS A 44 11.825 39.945 -2.485 1.00 52.51 H new ATOM 0 HB2 LYS A 44 12.263 36.971 -2.003 1.00 32.12 H new ATOM 0 HB3 LYS A 44 12.152 37.754 -3.567 1.00 32.12 H new ATOM 0 HG2 LYS A 44 14.280 38.478 -1.530 1.00 72.03 H new ATOM 0 HG3 LYS A 44 14.501 37.207 -2.716 1.00 72.03 H new ATOM 0 HD2 LYS A 44 14.367 38.728 -4.549 1.00 1.01 H new ATOM 0 HD3 LYS A 44 13.656 39.991 -3.563 1.00 1.01 H new ATOM 0 HE2 LYS A 44 16.412 38.938 -2.901 1.00 62.14 H new ATOM 0 HE3 LYS A 44 16.211 40.098 -4.199 1.00 62.14 H new ATOM 0 HZ1 LYS A 44 16.691 41.195 -2.109 1.00 1.35 H new ATOM 0 HZ2 LYS A 44 15.134 41.615 -2.640 1.00 1.35 H new ATOM 0 HZ3 LYS A 44 15.328 40.490 -1.382 1.00 1.35 H new ATOM 610 N CYS A 45 9.710 37.983 -0.930 1.00 11.33 N ATOM 611 CA CYS A 45 8.307 37.592 -0.849 1.00 50.10 C ATOM 612 C CYS A 45 7.396 38.812 -0.937 1.00 3.52 C ATOM 613 O CYS A 45 6.238 38.707 -1.340 1.00 12.13 O ATOM 614 CB CYS A 45 8.041 36.835 0.453 1.00 62.12 C ATOM 615 SG CYS A 45 6.999 35.371 0.256 1.00 74.14 S ATOM 0 H CYS A 45 10.281 37.669 -0.146 1.00 11.33 H new ATOM 0 HA CYS A 45 8.089 36.937 -1.693 1.00 50.10 H new ATOM 0 HB2 CYS A 45 8.994 36.533 0.887 1.00 62.12 H new ATOM 0 HB3 CYS A 45 7.567 37.512 1.164 1.00 62.12 H new ATOM 0 HG CYS A 45 7.731 34.301 0.351 1.00 74.14 H new ATOM 621 N ARG A 46 7.928 39.969 -0.555 1.00 54.43 N ATOM 622 CA ARG A 46 7.162 41.210 -0.588 1.00 72.51 C ATOM 623 C ARG A 46 6.476 41.389 -1.939 1.00 51.42 C ATOM 624 O ARG A 46 5.363 41.910 -2.019 1.00 2.34 O ATOM 625 CB ARG A 46 8.074 42.405 -0.304 1.00 34.41 C ATOM 626 CG ARG A 46 8.498 42.515 1.152 1.00 74.54 C ATOM 627 CD ARG A 46 7.384 43.086 2.015 1.00 74.22 C ATOM 628 NE ARG A 46 7.030 44.447 1.621 1.00 35.13 N ATOM 629 CZ ARG A 46 7.728 45.520 1.975 1.00 23.44 C ATOM 630 NH1 ARG A 46 8.813 45.390 2.726 1.00 23.14 N ATOM 631 NH2 ARG A 46 7.343 46.725 1.578 1.00 55.33 N ATOM 0 H ARG A 46 8.886 40.073 -0.219 1.00 54.43 H new ATOM 0 HA ARG A 46 6.395 41.156 0.185 1.00 72.51 H new ATOM 0 HB2 ARG A 46 8.964 42.328 -0.928 1.00 34.41 H new ATOM 0 HB3 ARG A 46 7.559 43.321 -0.594 1.00 34.41 H new ATOM 0 HG2 ARG A 46 8.781 41.531 1.525 1.00 74.54 H new ATOM 0 HG3 ARG A 46 9.381 43.150 1.228 1.00 74.54 H new ATOM 0 HD2 ARG A 46 6.504 42.447 1.941 1.00 74.22 H new ATOM 0 HD3 ARG A 46 7.695 43.080 3.060 1.00 74.22 H new ATOM 0 HE ARG A 46 6.201 44.581 1.042 1.00 35.13 H new ATOM 0 HH11 ARG A 46 9.113 44.465 3.033 1.00 23.14 H new ATOM 0 HH12 ARG A 46 9.348 46.215 2.997 1.00 23.14 H new ATOM 0 HH21 ARG A 46 6.509 46.829 1.000 1.00 55.33 H new ATOM 0 HH22 ARG A 46 7.880 47.548 1.851 1.00 55.33 H new ATOM 645 N LYS A 47 7.148 40.955 -3.000 1.00 54.33 N ATOM 646 CA LYS A 47 6.604 41.067 -4.349 1.00 22.13 C ATOM 647 C LYS A 47 5.544 39.999 -4.598 1.00 14.41 C ATOM 648 O LYS A 47 4.559 40.241 -5.296 1.00 45.41 O ATOM 649 CB LYS A 47 7.724 40.940 -5.384 1.00 51.01 C ATOM 650 CG LYS A 47 7.291 41.297 -6.795 1.00 75.35 C ATOM 651 CD LYS A 47 6.779 40.079 -7.546 1.00 61.24 C ATOM 652 CE LYS A 47 6.982 40.223 -9.047 1.00 3.22 C ATOM 653 NZ LYS A 47 5.927 41.069 -9.671 1.00 20.44 N ATOM 0 H LYS A 47 8.070 40.522 -2.952 1.00 54.33 H new ATOM 0 HA LYS A 47 6.137 42.047 -4.446 1.00 22.13 H new ATOM 0 HB2 LYS A 47 8.552 41.586 -5.092 1.00 51.01 H new ATOM 0 HB3 LYS A 47 8.100 39.917 -5.376 1.00 51.01 H new ATOM 0 HG2 LYS A 47 6.510 42.056 -6.756 1.00 75.35 H new ATOM 0 HG3 LYS A 47 8.132 41.732 -7.335 1.00 75.35 H new ATOM 0 HD2 LYS A 47 7.297 39.188 -7.192 1.00 61.24 H new ATOM 0 HD3 LYS A 47 5.719 39.938 -7.333 1.00 61.24 H new ATOM 0 HE2 LYS A 47 7.961 40.662 -9.241 1.00 3.22 H new ATOM 0 HE3 LYS A 47 6.978 39.236 -9.510 1.00 3.22 H new ATOM 0 HZ1 LYS A 47 6.101 41.143 -10.694 1.00 20.44 H new ATOM 0 HZ2 LYS A 47 4.995 40.638 -9.508 1.00 20.44 H new ATOM 0 HZ3 LYS A 47 5.948 42.018 -9.247 1.00 20.44 H new ATOM 667 N GLN A 48 5.751 38.820 -4.022 1.00 32.24 N ATOM 668 CA GLN A 48 4.811 37.716 -4.182 1.00 1.44 C ATOM 669 C GLN A 48 3.634 37.860 -3.222 1.00 43.12 C ATOM 670 O GLN A 48 2.729 37.026 -3.205 1.00 24.22 O ATOM 671 CB GLN A 48 5.517 36.380 -3.946 1.00 35.34 C ATOM 672 CG GLN A 48 6.290 35.878 -5.154 1.00 52.14 C ATOM 673 CD GLN A 48 5.431 35.058 -6.097 1.00 43.12 C ATOM 674 OE1 GLN A 48 5.070 35.515 -7.182 1.00 71.21 O ATOM 675 NE2 GLN A 48 5.100 33.839 -5.687 1.00 53.25 N ATOM 0 H GLN A 48 6.561 38.604 -3.440 1.00 32.24 H new ATOM 0 HA GLN A 48 4.429 37.742 -5.202 1.00 1.44 H new ATOM 0 HB2 GLN A 48 6.202 36.484 -3.105 1.00 35.34 H new ATOM 0 HB3 GLN A 48 4.776 35.632 -3.663 1.00 35.34 H new ATOM 0 HG2 GLN A 48 6.705 36.729 -5.694 1.00 52.14 H new ATOM 0 HG3 GLN A 48 7.132 35.273 -4.816 1.00 52.14 H new ATOM 0 HE21 GLN A 48 5.422 33.501 -4.780 1.00 53.25 H new ATOM 0 HE22 GLN A 48 4.524 33.241 -6.279 1.00 53.25 H new ATOM 684 N SER A 49 3.654 38.923 -2.425 1.00 13.51 N ATOM 685 CA SER A 49 2.590 39.174 -1.459 1.00 41.33 C ATOM 686 C SER A 49 1.227 39.189 -2.144 1.00 50.54 C ATOM 687 O SER A 49 0.214 38.839 -1.542 1.00 35.42 O ATOM 688 CB SER A 49 2.827 40.504 -0.741 1.00 45.33 C ATOM 689 OG SER A 49 2.351 40.456 0.592 1.00 21.14 O ATOM 0 H SER A 49 4.395 39.624 -2.429 1.00 13.51 H new ATOM 0 HA SER A 49 2.601 38.367 -0.726 1.00 41.33 H new ATOM 0 HB2 SER A 49 3.892 40.737 -0.742 1.00 45.33 H new ATOM 0 HB3 SER A 49 2.325 41.307 -1.281 1.00 45.33 H new ATOM 0 HG SER A 49 2.516 41.317 1.029 1.00 21.14 H new ATOM 695 N ASN A 50 1.212 39.599 -3.409 1.00 13.13 N ATOM 696 CA ASN A 50 -0.026 39.661 -4.177 1.00 54.11 C ATOM 697 C ASN A 50 -0.776 38.334 -4.110 1.00 24.25 C ATOM 698 O ASN A 50 -2.004 38.297 -4.192 1.00 71.22 O ATOM 699 CB ASN A 50 0.271 40.018 -5.635 1.00 1.12 C ATOM 700 CG ASN A 50 1.267 41.155 -5.760 1.00 62.30 C ATOM 701 OD1 ASN A 50 1.210 42.131 -5.012 1.00 33.42 O ATOM 702 ND2 ASN A 50 2.187 41.033 -6.710 1.00 24.33 N ATOM 0 H ASN A 50 2.043 39.893 -3.923 1.00 13.13 H new ATOM 0 HA ASN A 50 -0.656 40.436 -3.741 1.00 54.11 H new ATOM 0 HB2 ASN A 50 0.660 39.139 -6.149 1.00 1.12 H new ATOM 0 HB3 ASN A 50 -0.657 40.295 -6.135 1.00 1.12 H new ATOM 0 HD21 ASN A 50 2.884 41.766 -6.842 1.00 24.33 H new ATOM 0 HD22 ASN A 50 2.197 40.206 -7.307 1.00 24.33 H new ATOM 709 N LEU A 51 -0.028 37.246 -3.958 1.00 53.13 N ATOM 710 CA LEU A 51 -0.621 35.915 -3.879 1.00 10.53 C ATOM 711 C LEU A 51 0.274 34.967 -3.087 1.00 14.33 C ATOM 712 O LEU A 51 1.320 34.535 -3.571 1.00 10.31 O ATOM 713 CB LEU A 51 -0.859 35.357 -5.283 1.00 31.13 C ATOM 714 CG LEU A 51 -2.013 34.364 -5.423 1.00 73.22 C ATOM 715 CD1 LEU A 51 -1.765 33.132 -4.566 1.00 51.22 C ATOM 716 CD2 LEU A 51 -3.332 35.022 -5.045 1.00 12.00 C ATOM 0 H LEU A 51 0.989 37.259 -3.887 1.00 53.13 H new ATOM 0 HA LEU A 51 -1.577 36.000 -3.362 1.00 10.53 H new ATOM 0 HB2 LEU A 51 -1.041 36.193 -5.959 1.00 31.13 H new ATOM 0 HB3 LEU A 51 0.056 34.870 -5.619 1.00 31.13 H new ATOM 0 HG LEU A 51 -2.072 34.050 -6.465 1.00 73.22 H new ATOM 0 HD11 LEU A 51 -2.597 32.437 -4.679 1.00 51.22 H new ATOM 0 HD12 LEU A 51 -0.842 32.648 -4.884 1.00 51.22 H new ATOM 0 HD13 LEU A 51 -1.678 33.428 -3.520 1.00 51.22 H new ATOM 0 HD21 LEU A 51 -4.142 34.300 -5.151 1.00 12.00 H new ATOM 0 HD22 LEU A 51 -3.284 35.365 -4.012 1.00 12.00 H new ATOM 0 HD23 LEU A 51 -3.516 35.872 -5.702 1.00 12.00 H new ATOM 728 N TYR A 52 -0.146 34.646 -1.868 1.00 51.11 N ATOM 729 CA TYR A 52 0.617 33.749 -1.009 1.00 21.03 C ATOM 730 C TYR A 52 -0.242 32.575 -0.547 1.00 45.40 C ATOM 731 O TYR A 52 -1.439 32.521 -0.826 1.00 43.21 O ATOM 732 CB TYR A 52 1.158 34.508 0.204 1.00 33.03 C ATOM 733 CG TYR A 52 0.118 34.761 1.273 1.00 24.41 C ATOM 734 CD1 TYR A 52 -0.952 35.615 1.040 1.00 35.20 C ATOM 735 CD2 TYR A 52 0.208 34.146 2.516 1.00 54.11 C ATOM 736 CE1 TYR A 52 -1.904 35.849 2.014 1.00 52.34 C ATOM 737 CE2 TYR A 52 -0.740 34.374 3.495 1.00 72.52 C ATOM 738 CZ TYR A 52 -1.794 35.226 3.239 1.00 21.11 C ATOM 739 OH TYR A 52 -2.739 35.456 4.212 1.00 13.21 O ATOM 0 H TYR A 52 -1.010 34.994 -1.453 1.00 51.11 H new ATOM 0 HA TYR A 52 1.454 33.358 -1.587 1.00 21.03 H new ATOM 0 HB2 TYR A 52 1.983 33.942 0.638 1.00 33.03 H new ATOM 0 HB3 TYR A 52 1.566 35.463 -0.128 1.00 33.03 H new ATOM 0 HD1 TYR A 52 -1.042 36.105 0.081 1.00 35.20 H new ATOM 0 HD2 TYR A 52 1.032 33.479 2.720 1.00 54.11 H new ATOM 0 HE1 TYR A 52 -2.730 36.516 1.817 1.00 52.34 H new ATOM 0 HE2 TYR A 52 -0.656 33.888 4.456 1.00 72.52 H new ATOM 0 HH TYR A 52 -2.515 34.940 5.014 1.00 13.21 H new ATOM 749 N GLU A 53 0.380 31.638 0.162 1.00 44.33 N ATOM 750 CA GLU A 53 -0.326 30.465 0.662 1.00 13.23 C ATOM 751 C GLU A 53 0.413 29.848 1.846 1.00 45.31 C ATOM 752 O GLU A 53 1.594 29.512 1.747 1.00 42.33 O ATOM 753 CB GLU A 53 -0.488 29.427 -0.450 1.00 21.54 C ATOM 754 CG GLU A 53 -1.126 28.129 0.017 1.00 14.34 C ATOM 755 CD GLU A 53 -0.262 26.917 -0.270 1.00 51.02 C ATOM 756 OE1 GLU A 53 -0.220 26.484 -1.441 1.00 20.42 O ATOM 757 OE2 GLU A 53 0.371 26.402 0.674 1.00 25.23 O ATOM 0 H GLU A 53 1.371 31.669 0.403 1.00 44.33 H new ATOM 0 HA GLU A 53 -1.313 30.783 0.998 1.00 13.23 H new ATOM 0 HB2 GLU A 53 -1.095 29.854 -1.248 1.00 21.54 H new ATOM 0 HB3 GLU A 53 0.491 29.208 -0.876 1.00 21.54 H new ATOM 0 HG2 GLU A 53 -1.318 28.188 1.088 1.00 14.34 H new ATOM 0 HG3 GLU A 53 -2.092 28.006 -0.474 1.00 14.34 H new ATOM 764 N CYS A 54 -0.289 29.703 2.964 1.00 3.41 N ATOM 765 CA CYS A 54 0.301 29.128 4.168 1.00 11.41 C ATOM 766 C CYS A 54 0.708 27.677 3.934 1.00 0.24 C ATOM 767 O CYS A 54 -0.129 26.796 3.739 1.00 21.43 O ATOM 768 CB CYS A 54 -0.685 29.213 5.334 1.00 31.31 C ATOM 769 SG CYS A 54 -0.001 28.675 6.919 1.00 34.22 S ATOM 0 H CYS A 54 -1.267 29.975 3.062 1.00 3.41 H new ATOM 0 HA CYS A 54 1.195 29.701 4.415 1.00 11.41 H new ATOM 0 HB2 CYS A 54 -1.030 30.243 5.430 1.00 31.31 H new ATOM 0 HB3 CYS A 54 -1.559 28.604 5.102 1.00 31.31 H new ATOM 0 HG CYS A 54 -0.605 29.299 7.886 1.00 34.22 H new ATOM 775 N PRO A 55 2.025 27.422 3.952 1.00 34.44 N ATOM 776 CA PRO A 55 2.573 26.078 3.743 1.00 1.41 C ATOM 777 C PRO A 55 2.276 25.143 4.910 1.00 70.52 C ATOM 778 O PRO A 55 2.480 23.932 4.815 1.00 45.23 O ATOM 779 CB PRO A 55 4.079 26.325 3.625 1.00 23.43 C ATOM 780 CG PRO A 55 4.316 27.591 4.374 1.00 73.22 C ATOM 781 CD PRO A 55 3.079 28.424 4.179 1.00 2.01 C ATOM 0 HA PRO A 55 2.137 25.590 2.871 1.00 1.41 H new ATOM 0 HB2 PRO A 55 4.650 25.500 4.051 1.00 23.43 H new ATOM 0 HB3 PRO A 55 4.384 26.419 2.583 1.00 23.43 H new ATOM 0 HG2 PRO A 55 4.490 27.392 5.431 1.00 73.22 H new ATOM 0 HG3 PRO A 55 5.198 28.108 3.997 1.00 73.22 H new ATOM 0 HD2 PRO A 55 2.867 29.039 5.053 1.00 2.01 H new ATOM 0 HD3 PRO A 55 3.180 29.100 3.330 1.00 2.01 H new ATOM 789 N ASP A 56 1.792 25.710 6.009 1.00 4.31 N ATOM 790 CA ASP A 56 1.465 24.926 7.194 1.00 4.02 C ATOM 791 C ASP A 56 0.098 24.266 7.049 1.00 71.23 C ATOM 792 O ASP A 56 -0.023 23.042 7.124 1.00 41.41 O ATOM 793 CB ASP A 56 1.488 25.812 8.441 1.00 54.35 C ATOM 794 CG ASP A 56 2.345 25.232 9.548 1.00 2.41 C ATOM 795 OD1 ASP A 56 3.423 25.799 9.822 1.00 45.45 O ATOM 796 OD2 ASP A 56 1.938 24.211 10.141 1.00 44.10 O ATOM 0 H ASP A 56 1.617 26.710 6.104 1.00 4.31 H new ATOM 0 HA ASP A 56 2.217 24.144 7.300 1.00 4.02 H new ATOM 0 HB2 ASP A 56 1.864 26.800 8.174 1.00 54.35 H new ATOM 0 HB3 ASP A 56 0.470 25.946 8.806 1.00 54.35 H new ATOM 801 N CYS A 57 -0.929 25.083 6.841 1.00 24.14 N ATOM 802 CA CYS A 57 -2.289 24.578 6.687 1.00 5.43 C ATOM 803 C CYS A 57 -2.747 24.685 5.236 1.00 23.44 C ATOM 804 O CYS A 57 -3.944 24.707 4.953 1.00 44.03 O ATOM 805 CB CYS A 57 -3.247 25.350 7.595 1.00 10.13 C ATOM 806 SG CYS A 57 -3.308 27.127 7.265 1.00 65.33 S ATOM 0 H CYS A 57 -0.846 26.097 6.775 1.00 24.14 H new ATOM 0 HA CYS A 57 -2.295 23.527 6.975 1.00 5.43 H new ATOM 0 HB2 CYS A 57 -4.249 24.936 7.483 1.00 10.13 H new ATOM 0 HB3 CYS A 57 -2.952 25.194 8.633 1.00 10.13 H new ATOM 0 HG CYS A 57 -2.098 27.591 7.159 1.00 65.33 H new ATOM 812 N GLY A 58 -1.785 24.752 4.321 1.00 61.43 N ATOM 813 CA GLY A 58 -2.110 24.857 2.910 1.00 24.22 C ATOM 814 C GLY A 58 -3.223 25.851 2.644 1.00 25.10 C ATOM 815 O GLY A 58 -4.109 25.598 1.828 1.00 63.05 O ATOM 0 H GLY A 58 -0.787 24.735 4.531 1.00 61.43 H new ATOM 0 HA2 GLY A 58 -1.220 25.156 2.357 1.00 24.22 H new ATOM 0 HA3 GLY A 58 -2.405 23.877 2.534 1.00 24.22 H new ATOM 819 N PHE A 59 -3.179 26.985 3.336 1.00 61.23 N ATOM 820 CA PHE A 59 -4.193 28.020 3.172 1.00 70.21 C ATOM 821 C PHE A 59 -3.783 29.017 2.093 1.00 43.43 C ATOM 822 O PHE A 59 -2.941 29.885 2.323 1.00 41.23 O ATOM 823 CB PHE A 59 -4.425 28.750 4.496 1.00 10.41 C ATOM 824 CG PHE A 59 -5.279 29.979 4.362 1.00 71.55 C ATOM 825 CD1 PHE A 59 -6.444 29.949 3.613 1.00 54.45 C ATOM 826 CD2 PHE A 59 -4.916 31.162 4.984 1.00 54.34 C ATOM 827 CE1 PHE A 59 -7.233 31.078 3.487 1.00 61.31 C ATOM 828 CE2 PHE A 59 -5.701 32.293 4.862 1.00 50.51 C ATOM 829 CZ PHE A 59 -6.860 32.252 4.112 1.00 60.43 C ATOM 0 H PHE A 59 -2.452 27.210 4.015 1.00 61.23 H new ATOM 0 HA PHE A 59 -5.121 27.539 2.863 1.00 70.21 H new ATOM 0 HB2 PHE A 59 -4.896 28.065 5.201 1.00 10.41 H new ATOM 0 HB3 PHE A 59 -3.461 29.032 4.920 1.00 10.41 H new ATOM 0 HD1 PHE A 59 -6.740 29.034 3.122 1.00 54.45 H new ATOM 0 HD2 PHE A 59 -4.010 31.201 5.571 1.00 54.34 H new ATOM 0 HE1 PHE A 59 -8.139 31.042 2.901 1.00 61.31 H new ATOM 0 HE2 PHE A 59 -5.408 33.209 5.353 1.00 50.51 H new ATOM 0 HZ PHE A 59 -7.473 33.136 4.014 1.00 60.43 H new ATOM 839 N MET A 60 -4.384 28.886 0.915 1.00 45.04 N ATOM 840 CA MET A 60 -4.081 29.776 -0.200 1.00 53.14 C ATOM 841 C MET A 60 -4.810 31.107 -0.046 1.00 44.51 C ATOM 842 O MET A 60 -5.976 31.146 0.342 1.00 14.41 O ATOM 843 CB MET A 60 -4.471 29.119 -1.526 1.00 33.33 C ATOM 844 CG MET A 60 -3.535 29.462 -2.673 1.00 10.10 C ATOM 845 SD MET A 60 -4.395 30.203 -4.073 1.00 54.44 S ATOM 846 CE MET A 60 -3.527 29.445 -5.444 1.00 73.22 C ATOM 0 H MET A 60 -5.083 28.173 0.708 1.00 45.04 H new ATOM 0 HA MET A 60 -3.008 29.967 -0.199 1.00 53.14 H new ATOM 0 HB2 MET A 60 -4.490 28.037 -1.394 1.00 33.33 H new ATOM 0 HB3 MET A 60 -5.483 29.425 -1.790 1.00 33.33 H new ATOM 0 HG2 MET A 60 -2.768 30.150 -2.317 1.00 10.10 H new ATOM 0 HG3 MET A 60 -3.024 28.557 -3.003 1.00 10.10 H new ATOM 0 HE1 MET A 60 -3.946 29.805 -6.384 1.00 73.22 H new ATOM 0 HE2 MET A 60 -2.470 29.706 -5.394 1.00 73.22 H new ATOM 0 HE3 MET A 60 -3.636 28.362 -5.390 1.00 73.22 H new ATOM 856 N GLY A 61 -4.113 32.198 -0.353 1.00 24.54 N ATOM 857 CA GLY A 61 -4.710 33.516 -0.241 1.00 24.42 C ATOM 858 C GLY A 61 -4.046 34.531 -1.150 1.00 13.44 C ATOM 859 O GLY A 61 -3.121 34.216 -1.898 1.00 31.10 O ATOM 0 H GLY A 61 -3.146 32.192 -0.677 1.00 24.54 H new ATOM 0 HA2 GLY A 61 -5.771 33.453 -0.485 1.00 24.42 H new ATOM 0 HA3 GLY A 61 -4.640 33.857 0.792 1.00 24.42 H new ATOM 863 N PRO A 62 -4.524 35.783 -1.092 1.00 50.51 N ATOM 864 CA PRO A 62 -3.986 36.874 -1.911 1.00 14.22 C ATOM 865 C PRO A 62 -2.583 37.285 -1.479 1.00 42.34 C ATOM 866 O PRO A 62 -2.410 38.251 -0.736 1.00 45.00 O ATOM 867 CB PRO A 62 -4.976 38.018 -1.672 1.00 63.41 C ATOM 868 CG PRO A 62 -5.573 37.729 -0.338 1.00 53.32 C ATOM 869 CD PRO A 62 -5.625 36.231 -0.223 1.00 73.10 C ATOM 0 HA PRO A 62 -3.889 36.588 -2.958 1.00 14.22 H new ATOM 0 HB2 PRO A 62 -4.473 38.985 -1.680 1.00 63.41 H new ATOM 0 HB3 PRO A 62 -5.740 38.050 -2.449 1.00 63.41 H new ATOM 0 HG2 PRO A 62 -4.970 38.161 0.461 1.00 53.32 H new ATOM 0 HG3 PRO A 62 -6.570 38.162 -0.255 1.00 53.32 H new ATOM 0 HD2 PRO A 62 -5.484 35.902 0.806 1.00 73.10 H new ATOM 0 HD3 PRO A 62 -6.585 35.836 -0.555 1.00 73.10 H new TER 877 PRO A 62