USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 512 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 24 MET CE :methyl 172:sc= -0.0207 (180deg=-0.107) USER MOD Set 1.2: A 27 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.048) USER MOD Set 2.1: A 15 GLN : amide:sc= 0.522 K(o=1,f=-5.1) USER MOD Set 2.2: A 19 GLN : amide:sc= 0.487 K(o=1,f=-2.7!) USER MOD Set 3.1: A 8 GLN : amide:sc= 0.983 K(o=2,f=0.99) USER MOD Set 3.2: A 12 CYS SG : rot 71:sc= 0.998 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.092 (180deg=-0.146) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0.327 K(o=0.33,f=-10!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 1.17 K(o=1.2,f=-0.087) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0551 USER MOD Single : A 29 GLN : amide:sc= 2.96 K(o=3,f=-7.8!) USER MOD Single : A 33 GLN : amide:sc= -1.09 K(o=-1.1,f=-8.3!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0.645 K(o=0.65,f=-0.017) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 105:sc= 1.24 USER MOD Single : A 51 SER OG : rot 98:sc= 1.27 USER MOD Single : A 55 LYS NZ :NH3+ 146:sc= -0.199 (180deg=-1.25) USER MOD Single : A 60 ASN : amide:sc= -0.14! C(o=-0.14!,f=-9.3!) USER MOD Single : A 62 THR OG1 : rot -79:sc= 1.12 USER MOD Single : A 64 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0178) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 132:sc= 1.22 USER MOD Single : A 68 LYS NZ :NH3+ -144:sc=-0.00775 (180deg=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.792 18.923 0.549 1.00 0.00 N ATOM 2 CA MET A 1 14.486 19.409 0.136 1.00 0.00 C ATOM 3 C MET A 1 13.410 18.484 0.724 1.00 0.00 C ATOM 4 O MET A 1 13.705 17.315 0.980 1.00 0.00 O ATOM 5 CB MET A 1 14.417 19.422 -1.402 1.00 0.00 C ATOM 6 CG MET A 1 15.309 20.495 -2.032 1.00 0.00 C ATOM 7 SD MET A 1 14.818 22.199 -1.649 1.00 0.00 S ATOM 8 CE MET A 1 16.102 23.091 -2.565 1.00 0.00 C ATOM 0 H1 MET A 1 16.251 19.633 1.154 1.00 0.00 H new ATOM 0 H2 MET A 1 15.680 18.036 1.080 1.00 0.00 H new ATOM 0 H3 MET A 1 16.380 18.751 -0.291 1.00 0.00 H new ATOM 0 HA MET A 1 14.319 20.423 0.499 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.712 18.444 -1.782 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.385 19.587 -1.712 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.334 20.341 -1.695 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.306 20.363 -3.114 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.957 24.164 -2.443 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.083 22.811 -2.182 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.039 22.835 -3.623 1.00 0.00 H new ATOM 20 N PRO A 2 12.154 18.941 0.902 1.00 0.00 N ATOM 21 CA PRO A 2 11.090 18.170 1.559 1.00 0.00 C ATOM 22 C PRO A 2 10.491 17.048 0.691 1.00 0.00 C ATOM 23 O PRO A 2 9.360 16.613 0.908 1.00 0.00 O ATOM 24 CB PRO A 2 10.057 19.224 1.985 1.00 0.00 C ATOM 25 CG PRO A 2 10.187 20.285 0.896 1.00 0.00 C ATOM 26 CD PRO A 2 11.689 20.294 0.624 1.00 0.00 C ATOM 0 HA PRO A 2 11.481 17.611 2.409 1.00 0.00 H new ATOM 0 HB2 PRO A 2 9.050 18.809 2.027 1.00 0.00 H new ATOM 0 HB3 PRO A 2 10.277 19.629 2.973 1.00 0.00 H new ATOM 0 HG2 PRO A 2 9.615 20.025 0.006 1.00 0.00 H new ATOM 0 HG3 PRO A 2 9.829 21.258 1.232 1.00 0.00 H new ATOM 0 HD2 PRO A 2 11.897 20.574 -0.409 1.00 0.00 H new ATOM 0 HD3 PRO A 2 12.197 21.020 1.260 1.00 0.00 H new ATOM 34 N GLN A 3 11.258 16.549 -0.276 1.00 0.00 N ATOM 35 CA GLN A 3 10.911 15.568 -1.300 1.00 0.00 C ATOM 36 C GLN A 3 10.797 14.129 -0.754 1.00 0.00 C ATOM 37 O GLN A 3 10.937 13.164 -1.507 1.00 0.00 O ATOM 38 CB GLN A 3 11.930 15.674 -2.452 1.00 0.00 C ATOM 39 CG GLN A 3 11.823 17.012 -3.201 1.00 0.00 C ATOM 40 CD GLN A 3 12.861 17.134 -4.315 1.00 0.00 C ATOM 41 OE1 GLN A 3 13.765 17.959 -4.247 1.00 0.00 O ATOM 42 NE2 GLN A 3 12.760 16.327 -5.362 1.00 0.00 N ATOM 0 H GLN A 3 12.228 16.850 -0.370 1.00 0.00 H new ATOM 0 HA GLN A 3 9.913 15.800 -1.673 1.00 0.00 H new ATOM 0 HB2 GLN A 3 12.939 15.562 -2.054 1.00 0.00 H new ATOM 0 HB3 GLN A 3 11.771 14.854 -3.152 1.00 0.00 H new ATOM 0 HG2 GLN A 3 10.824 17.110 -3.625 1.00 0.00 H new ATOM 0 HG3 GLN A 3 11.952 17.833 -2.495 1.00 0.00 H new ATOM 0 HE21 GLN A 3 12.004 15.644 -5.408 1.00 0.00 H new ATOM 0 HE22 GLN A 3 13.439 16.389 -6.121 1.00 0.00 H new ATOM 51 N LYS A 4 10.568 13.966 0.553 1.00 0.00 N ATOM 52 CA LYS A 4 10.382 12.674 1.201 1.00 0.00 C ATOM 53 C LYS A 4 9.186 11.942 0.582 1.00 0.00 C ATOM 54 O LYS A 4 8.202 12.564 0.180 1.00 0.00 O ATOM 55 CB LYS A 4 10.199 12.912 2.715 1.00 0.00 C ATOM 56 CG LYS A 4 9.922 11.658 3.563 1.00 0.00 C ATOM 57 CD LYS A 4 11.062 10.629 3.539 1.00 0.00 C ATOM 58 CE LYS A 4 10.629 9.367 4.287 1.00 0.00 C ATOM 59 NZ LYS A 4 11.690 8.345 4.290 1.00 0.00 N ATOM 0 H LYS A 4 10.506 14.751 1.201 1.00 0.00 H new ATOM 0 HA LYS A 4 11.254 12.037 1.051 1.00 0.00 H new ATOM 0 HB2 LYS A 4 11.098 13.395 3.099 1.00 0.00 H new ATOM 0 HB3 LYS A 4 9.375 13.612 2.856 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.740 11.961 4.594 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.009 11.183 3.205 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.322 10.383 2.509 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.955 11.050 4.001 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.368 9.624 5.314 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.731 8.959 3.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.361 7.504 4.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.921 8.082 3.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 12.538 8.726 4.756 1.00 0.00 H new ATOM 73 N ASP A 5 9.240 10.608 0.586 1.00 0.00 N ATOM 74 CA ASP A 5 8.136 9.732 0.269 1.00 0.00 C ATOM 75 C ASP A 5 7.947 8.803 1.480 1.00 0.00 C ATOM 76 O ASP A 5 8.643 7.791 1.565 1.00 0.00 O ATOM 77 CB ASP A 5 8.355 9.015 -1.071 1.00 0.00 C ATOM 78 CG ASP A 5 7.103 8.260 -1.515 1.00 0.00 C ATOM 79 OD1 ASP A 5 6.424 7.647 -0.655 1.00 0.00 O ATOM 80 OD2 ASP A 5 6.781 8.326 -2.719 1.00 0.00 O ATOM 0 H ASP A 5 10.093 10.100 0.821 1.00 0.00 H new ATOM 0 HA ASP A 5 7.208 10.282 0.110 1.00 0.00 H new ATOM 0 HB2 ASP A 5 8.631 9.743 -1.833 1.00 0.00 H new ATOM 0 HB3 ASP A 5 9.188 8.318 -0.980 1.00 0.00 H new ATOM 85 N PRO A 6 7.057 9.138 2.440 1.00 0.00 N ATOM 86 CA PRO A 6 6.894 8.430 3.717 1.00 0.00 C ATOM 87 C PRO A 6 6.532 6.951 3.595 1.00 0.00 C ATOM 88 O PRO A 6 6.635 6.198 4.567 1.00 0.00 O ATOM 89 CB PRO A 6 5.726 9.116 4.417 1.00 0.00 C ATOM 90 CG PRO A 6 5.676 10.505 3.799 1.00 0.00 C ATOM 91 CD PRO A 6 6.072 10.207 2.360 1.00 0.00 C ATOM 0 HA PRO A 6 7.849 8.469 4.241 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.793 8.576 4.255 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.883 9.166 5.495 1.00 0.00 H new ATOM 0 HG2 PRO A 6 4.683 10.950 3.868 1.00 0.00 H new ATOM 0 HG3 PRO A 6 6.369 11.195 4.281 1.00 0.00 H new ATOM 0 HD2 PRO A 6 5.208 9.901 1.771 1.00 0.00 H new ATOM 0 HD3 PRO A 6 6.490 11.090 1.877 1.00 0.00 H new ATOM 99 N CYS A 7 6.043 6.579 2.413 1.00 0.00 N ATOM 100 CA CYS A 7 5.414 5.326 2.095 1.00 0.00 C ATOM 101 C CYS A 7 6.254 4.449 1.174 1.00 0.00 C ATOM 102 O CYS A 7 5.929 3.285 0.935 1.00 0.00 O ATOM 103 CB CYS A 7 4.054 5.662 1.484 1.00 0.00 C ATOM 104 SG CYS A 7 2.822 6.268 2.677 1.00 0.00 S ATOM 0 H CYS A 7 6.086 7.199 1.604 1.00 0.00 H new ATOM 0 HA CYS A 7 5.300 4.729 3.000 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.194 6.417 0.710 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.660 4.772 0.994 1.00 0.00 H new ATOM 106 N GLN A 8 7.347 4.997 0.647 1.00 0.00 N ATOM 107 CA GLN A 8 8.150 4.326 -0.349 1.00 0.00 C ATOM 108 C GLN A 8 8.846 3.073 0.219 1.00 0.00 C ATOM 109 O GLN A 8 9.136 2.141 -0.537 1.00 0.00 O ATOM 110 CB GLN A 8 9.072 5.395 -0.944 1.00 0.00 C ATOM 111 CG GLN A 8 10.201 4.857 -1.805 1.00 0.00 C ATOM 112 CD GLN A 8 9.705 4.271 -3.128 1.00 0.00 C ATOM 113 OE1 GLN A 8 9.576 4.977 -4.119 1.00 0.00 O ATOM 114 NE2 GLN A 8 9.399 2.982 -3.164 1.00 0.00 N ATOM 0 H GLN A 8 7.694 5.921 0.905 1.00 0.00 H new ATOM 0 HA GLN A 8 7.550 3.905 -1.156 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.472 6.079 -1.543 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.502 5.978 -0.129 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.910 5.659 -2.010 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.741 4.089 -1.251 1.00 0.00 H new ATOM 0 HE21 GLN A 8 9.512 2.407 -2.329 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.050 2.565 -4.027 1.00 0.00 H new ATOM 123 N LYS A 9 9.066 2.999 1.537 1.00 0.00 N ATOM 124 CA LYS A 9 9.609 1.806 2.180 1.00 0.00 C ATOM 125 C LYS A 9 8.583 0.674 2.137 1.00 0.00 C ATOM 126 O LYS A 9 8.890 -0.464 1.802 1.00 0.00 O ATOM 127 CB LYS A 9 10.012 2.124 3.631 1.00 0.00 C ATOM 128 CG LYS A 9 10.966 1.058 4.187 1.00 0.00 C ATOM 129 CD LYS A 9 11.346 1.361 5.640 1.00 0.00 C ATOM 130 CE LYS A 9 12.280 0.272 6.169 1.00 0.00 C ATOM 131 NZ LYS A 9 12.663 0.519 7.571 1.00 0.00 N ATOM 0 H LYS A 9 8.872 3.764 2.183 1.00 0.00 H new ATOM 0 HA LYS A 9 10.499 1.484 1.640 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.491 3.102 3.672 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.120 2.179 4.255 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.494 0.077 4.128 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.866 1.016 3.574 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.834 2.334 5.703 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.449 1.414 6.257 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.789 -0.698 6.091 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.175 0.227 5.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.296 -0.239 7.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.153 1.434 7.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.810 0.537 8.166 1.00 0.00 H new ATOM 145 N GLN A 10 7.342 1.011 2.459 1.00 0.00 N ATOM 146 CA GLN A 10 6.204 0.134 2.592 1.00 0.00 C ATOM 147 C GLN A 10 5.887 -0.449 1.208 1.00 0.00 C ATOM 148 O GLN A 10 5.673 -1.649 1.087 1.00 0.00 O ATOM 149 CB GLN A 10 5.044 0.913 3.251 1.00 0.00 C ATOM 150 CG GLN A 10 5.361 1.493 4.656 1.00 0.00 C ATOM 151 CD GLN A 10 6.066 2.867 4.683 1.00 0.00 C ATOM 152 OE1 GLN A 10 6.873 3.214 3.831 1.00 0.00 O ATOM 153 NE2 GLN A 10 5.791 3.722 5.654 1.00 0.00 N ATOM 0 H GLN A 10 7.093 1.982 2.647 1.00 0.00 H new ATOM 0 HA GLN A 10 6.399 -0.714 3.249 1.00 0.00 H new ATOM 0 HB2 GLN A 10 4.755 1.732 2.592 1.00 0.00 H new ATOM 0 HB3 GLN A 10 4.182 0.251 3.333 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.427 1.576 5.211 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.986 0.777 5.189 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.123 3.469 6.382 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.246 4.634 5.674 1.00 0.00 H new ATOM 162 N ALA A 11 5.969 0.375 0.153 1.00 0.00 N ATOM 163 CA ALA A 11 5.939 -0.036 -1.247 1.00 0.00 C ATOM 164 C ALA A 11 6.997 -1.083 -1.570 1.00 0.00 C ATOM 165 O ALA A 11 6.698 -2.068 -2.243 1.00 0.00 O ATOM 166 CB ALA A 11 6.151 1.184 -2.142 1.00 0.00 C ATOM 0 H ALA A 11 6.062 1.385 0.263 1.00 0.00 H new ATOM 0 HA ALA A 11 4.963 -0.485 -1.432 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.129 0.877 -3.188 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.359 1.911 -1.960 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.117 1.636 -1.918 1.00 0.00 H new ATOM 172 N CYS A 12 8.227 -0.890 -1.086 1.00 0.00 N ATOM 173 CA CYS A 12 9.273 -1.890 -1.263 1.00 0.00 C ATOM 174 C CYS A 12 8.853 -3.219 -0.633 1.00 0.00 C ATOM 175 O CYS A 12 9.002 -4.275 -1.252 1.00 0.00 O ATOM 176 CB CYS A 12 10.613 -1.425 -0.686 1.00 0.00 C ATOM 177 SG CYS A 12 11.220 0.054 -1.539 1.00 0.00 S ATOM 0 H CYS A 12 8.517 -0.057 -0.574 1.00 0.00 H new ATOM 0 HA CYS A 12 9.411 -2.032 -2.335 1.00 0.00 H new ATOM 0 HB2 CYS A 12 10.500 -1.213 0.377 1.00 0.00 H new ATOM 0 HB3 CYS A 12 11.347 -2.226 -0.775 1.00 0.00 H new ATOM 0 HG CYS A 12 10.486 1.076 -1.211 1.00 0.00 H new ATOM 182 N GLU A 13 8.282 -3.169 0.576 1.00 0.00 N ATOM 183 CA GLU A 13 7.814 -4.358 1.270 1.00 0.00 C ATOM 184 C GLU A 13 6.674 -5.056 0.531 1.00 0.00 C ATOM 185 O GLU A 13 6.500 -6.249 0.753 1.00 0.00 O ATOM 186 CB GLU A 13 7.367 -4.063 2.714 1.00 0.00 C ATOM 187 CG GLU A 13 8.447 -3.473 3.622 1.00 0.00 C ATOM 188 CD GLU A 13 9.686 -4.365 3.708 1.00 0.00 C ATOM 189 OE1 GLU A 13 9.663 -5.297 4.541 1.00 0.00 O ATOM 190 OE2 GLU A 13 10.628 -4.116 2.923 1.00 0.00 O ATOM 0 H GLU A 13 8.135 -2.302 1.093 1.00 0.00 H new ATOM 0 HA GLU A 13 8.676 -5.024 1.298 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.524 -3.373 2.683 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.004 -4.988 3.161 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.735 -2.490 3.249 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.038 -3.327 4.622 1.00 0.00 H new ATOM 197 N ILE A 14 5.932 -4.389 -0.364 1.00 0.00 N ATOM 198 CA ILE A 14 4.957 -5.059 -1.212 1.00 0.00 C ATOM 199 C ILE A 14 5.671 -6.103 -2.055 1.00 0.00 C ATOM 200 O ILE A 14 5.306 -7.279 -2.040 1.00 0.00 O ATOM 201 CB ILE A 14 4.204 -4.082 -2.119 1.00 0.00 C ATOM 202 CG1 ILE A 14 3.562 -2.908 -1.387 1.00 0.00 C ATOM 203 CG2 ILE A 14 3.161 -4.816 -2.969 1.00 0.00 C ATOM 204 CD1 ILE A 14 2.413 -3.249 -0.461 1.00 0.00 C ATOM 0 H ILE A 14 5.995 -3.382 -0.514 1.00 0.00 H new ATOM 0 HA ILE A 14 4.216 -5.530 -0.566 1.00 0.00 H new ATOM 0 HB ILE A 14 4.966 -3.648 -2.766 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.333 -2.403 -0.805 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.204 -2.195 -2.130 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.640 -4.100 -3.604 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.658 -5.560 -3.592 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.443 -5.311 -2.316 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.037 -2.337 0.003 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.614 -3.722 -1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.760 -3.933 0.313 1.00 0.00 H new ATOM 216 N GLN A 15 6.692 -5.644 -2.782 1.00 0.00 N ATOM 217 CA GLN A 15 7.509 -6.494 -3.616 1.00 0.00 C ATOM 218 C GLN A 15 8.118 -7.585 -2.756 1.00 0.00 C ATOM 219 O GLN A 15 7.912 -8.762 -3.039 1.00 0.00 O ATOM 220 CB GLN A 15 8.569 -5.681 -4.381 1.00 0.00 C ATOM 221 CG GLN A 15 8.018 -5.096 -5.690 1.00 0.00 C ATOM 222 CD GLN A 15 7.781 -6.151 -6.779 1.00 0.00 C ATOM 223 OE1 GLN A 15 7.801 -7.356 -6.539 1.00 0.00 O ATOM 224 NE2 GLN A 15 7.550 -5.718 -8.011 1.00 0.00 N ATOM 0 H GLN A 15 6.968 -4.662 -2.801 1.00 0.00 H new ATOM 0 HA GLN A 15 6.890 -6.963 -4.381 1.00 0.00 H new ATOM 0 HB2 GLN A 15 8.931 -4.871 -3.747 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.424 -6.319 -4.602 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.079 -4.582 -5.483 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.715 -4.347 -6.066 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.534 -4.717 -8.205 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.388 -6.386 -8.764 1.00 0.00 H new ATOM 233 N LYS A 16 8.812 -7.237 -1.672 1.00 0.00 N ATOM 234 CA LYS A 16 9.527 -8.273 -0.941 1.00 0.00 C ATOM 235 C LYS A 16 8.568 -9.234 -0.248 1.00 0.00 C ATOM 236 O LYS A 16 8.898 -10.413 -0.142 1.00 0.00 O ATOM 237 CB LYS A 16 10.490 -7.684 0.100 1.00 0.00 C ATOM 238 CG LYS A 16 11.422 -6.556 -0.372 1.00 0.00 C ATOM 239 CD LYS A 16 12.047 -6.777 -1.755 1.00 0.00 C ATOM 240 CE LYS A 16 12.932 -5.582 -2.103 1.00 0.00 C ATOM 241 NZ LYS A 16 13.511 -5.722 -3.452 1.00 0.00 N ATOM 0 H LYS A 16 8.892 -6.292 -1.297 1.00 0.00 H new ATOM 0 HA LYS A 16 10.108 -8.820 -1.683 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.898 -7.308 0.934 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.108 -8.494 0.487 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.861 -5.622 -0.387 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.222 -6.435 0.358 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.636 -7.694 -1.759 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.266 -6.897 -2.505 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.346 -4.664 -2.049 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.732 -5.493 -1.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.107 -4.896 -3.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.089 -6.586 -3.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.746 -5.783 -4.154 1.00 0.00 H new ATOM 255 N CYS A 17 7.379 -8.776 0.171 1.00 0.00 N ATOM 256 CA CYS A 17 6.327 -9.676 0.618 1.00 0.00 C ATOM 257 C CYS A 17 6.026 -10.657 -0.501 1.00 0.00 C ATOM 258 O CYS A 17 5.969 -11.857 -0.254 1.00 0.00 O ATOM 259 CB CYS A 17 5.056 -8.913 0.994 1.00 0.00 C ATOM 260 SG CYS A 17 3.611 -9.963 1.328 1.00 0.00 S ATOM 0 H CYS A 17 7.130 -7.787 0.206 1.00 0.00 H new ATOM 0 HA CYS A 17 6.669 -10.202 1.509 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.260 -8.307 1.877 1.00 0.00 H new ATOM 0 HB3 CYS A 17 4.809 -8.225 0.186 1.00 0.00 H new ATOM 262 N LEU A 18 5.831 -10.155 -1.724 1.00 0.00 N ATOM 263 CA LEU A 18 5.546 -10.978 -2.880 1.00 0.00 C ATOM 264 C LEU A 18 6.661 -11.999 -3.097 1.00 0.00 C ATOM 265 O LEU A 18 6.362 -13.177 -3.280 1.00 0.00 O ATOM 266 CB LEU A 18 5.298 -10.093 -4.122 1.00 0.00 C ATOM 267 CG LEU A 18 3.846 -10.227 -4.612 1.00 0.00 C ATOM 268 CD1 LEU A 18 2.975 -9.135 -3.985 1.00 0.00 C ATOM 269 CD2 LEU A 18 3.755 -10.073 -6.136 1.00 0.00 C ATOM 0 H LEU A 18 5.869 -9.157 -1.930 1.00 0.00 H new ATOM 0 HA LEU A 18 4.631 -11.543 -2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.509 -9.052 -3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.983 -10.379 -4.920 1.00 0.00 H new ATOM 0 HG LEU A 18 3.499 -11.218 -4.320 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.949 -9.240 -4.339 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.996 -9.232 -2.899 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.359 -8.155 -4.270 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.716 -10.173 -6.450 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.129 -9.091 -6.425 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.355 -10.846 -6.616 1.00 0.00 H new ATOM 281 N GLN A 19 7.930 -11.581 -3.045 1.00 0.00 N ATOM 282 CA GLN A 19 9.080 -12.475 -3.114 1.00 0.00 C ATOM 283 C GLN A 19 9.030 -13.530 -2.007 1.00 0.00 C ATOM 284 O GLN A 19 9.173 -14.716 -2.297 1.00 0.00 O ATOM 285 CB GLN A 19 10.398 -11.679 -3.146 1.00 0.00 C ATOM 286 CG GLN A 19 10.740 -11.044 -4.513 1.00 0.00 C ATOM 287 CD GLN A 19 10.069 -9.700 -4.839 1.00 0.00 C ATOM 288 OE1 GLN A 19 10.615 -8.657 -4.498 1.00 0.00 O ATOM 289 NE2 GLN A 19 8.924 -9.673 -5.528 1.00 0.00 N ATOM 0 H GLN A 19 8.186 -10.598 -2.953 1.00 0.00 H new ATOM 0 HA GLN A 19 9.037 -13.026 -4.053 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.347 -10.889 -2.397 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.213 -12.342 -2.855 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.820 -10.906 -4.563 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.473 -11.755 -5.295 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.476 -10.546 -5.808 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.498 -8.780 -5.774 1.00 0.00 H new ATOM 298 N ALA A 20 8.739 -13.126 -0.770 1.00 0.00 N ATOM 299 CA ALA A 20 8.562 -14.027 0.360 1.00 0.00 C ATOM 300 C ALA A 20 7.335 -14.947 0.226 1.00 0.00 C ATOM 301 O ALA A 20 7.225 -15.904 0.989 1.00 0.00 O ATOM 302 CB ALA A 20 8.486 -13.201 1.651 1.00 0.00 C ATOM 0 H ALA A 20 8.618 -12.143 -0.525 1.00 0.00 H new ATOM 0 HA ALA A 20 9.425 -14.693 0.386 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.353 -13.868 2.503 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.408 -12.634 1.775 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.642 -12.514 1.594 1.00 0.00 H new ATOM 308 N ASN A 21 6.421 -14.688 -0.722 1.00 0.00 N ATOM 309 CA ASN A 21 5.144 -15.383 -0.854 1.00 0.00 C ATOM 310 C ASN A 21 4.961 -16.003 -2.242 1.00 0.00 C ATOM 311 O ASN A 21 3.873 -16.490 -2.534 1.00 0.00 O ATOM 312 CB ASN A 21 4.001 -14.432 -0.474 1.00 0.00 C ATOM 313 CG ASN A 21 3.916 -14.292 1.042 1.00 0.00 C ATOM 314 OD1 ASN A 21 3.322 -15.121 1.719 1.00 0.00 O ATOM 315 ND2 ASN A 21 4.525 -13.263 1.604 1.00 0.00 N ATOM 0 H ASN A 21 6.559 -13.970 -1.433 1.00 0.00 H new ATOM 0 HA ASN A 21 5.131 -16.225 -0.161 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.165 -13.455 -0.928 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.057 -14.811 -0.865 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.505 -13.150 2.618 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.015 -12.582 1.024 1.00 0.00 H new ATOM 322 N SER A 22 5.995 -16.015 -3.102 1.00 0.00 N ATOM 323 CA SER A 22 5.929 -16.594 -4.448 1.00 0.00 C ATOM 324 C SER A 22 4.837 -15.921 -5.276 1.00 0.00 C ATOM 325 O SER A 22 4.097 -16.552 -6.028 1.00 0.00 O ATOM 326 CB SER A 22 5.764 -18.111 -4.401 1.00 0.00 C ATOM 327 OG SER A 22 6.746 -18.685 -3.561 1.00 0.00 O ATOM 0 H SER A 22 6.907 -15.618 -2.876 1.00 0.00 H new ATOM 0 HA SER A 22 6.880 -16.401 -4.944 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.769 -18.364 -4.035 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.849 -18.524 -5.406 1.00 0.00 H new ATOM 0 HG SER A 22 6.629 -19.658 -3.538 1.00 0.00 H new ATOM 333 N TYR A 23 4.757 -14.604 -5.104 1.00 0.00 N ATOM 334 CA TYR A 23 4.002 -13.652 -5.886 1.00 0.00 C ATOM 335 C TYR A 23 2.492 -13.717 -5.681 1.00 0.00 C ATOM 336 O TYR A 23 1.721 -13.079 -6.397 1.00 0.00 O ATOM 337 CB TYR A 23 4.521 -13.685 -7.325 1.00 0.00 C ATOM 338 CG TYR A 23 6.043 -13.630 -7.404 1.00 0.00 C ATOM 339 CD1 TYR A 23 6.757 -12.828 -6.498 1.00 0.00 C ATOM 340 CD2 TYR A 23 6.760 -14.475 -8.270 1.00 0.00 C ATOM 341 CE1 TYR A 23 8.143 -12.802 -6.475 1.00 0.00 C ATOM 342 CE2 TYR A 23 8.168 -14.496 -8.232 1.00 0.00 C ATOM 343 CZ TYR A 23 8.872 -13.642 -7.344 1.00 0.00 C ATOM 344 OH TYR A 23 10.232 -13.653 -7.285 1.00 0.00 O ATOM 0 H TYR A 23 5.265 -14.145 -4.348 1.00 0.00 H new ATOM 0 HA TYR A 23 4.181 -12.642 -5.516 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.169 -14.594 -7.813 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.102 -12.844 -7.877 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.210 -12.213 -5.799 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.230 -15.109 -8.965 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.662 -12.142 -5.796 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.714 -15.165 -8.881 1.00 0.00 H new ATOM 0 HH TYR A 23 10.583 -14.285 -7.947 1.00 0.00 H new ATOM 354 N MET A 24 2.088 -14.418 -4.623 1.00 0.00 N ATOM 355 CA MET A 24 0.739 -14.451 -4.118 1.00 0.00 C ATOM 356 C MET A 24 0.379 -13.104 -3.493 1.00 0.00 C ATOM 357 O MET A 24 0.468 -12.918 -2.278 1.00 0.00 O ATOM 358 CB MET A 24 0.572 -15.620 -3.135 1.00 0.00 C ATOM 359 CG MET A 24 0.868 -16.958 -3.815 1.00 0.00 C ATOM 360 SD MET A 24 0.273 -18.409 -2.900 1.00 0.00 S ATOM 361 CE MET A 24 1.587 -18.555 -1.661 1.00 0.00 C ATOM 0 H MET A 24 2.727 -14.999 -4.080 1.00 0.00 H new ATOM 0 HA MET A 24 0.043 -14.620 -4.939 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.242 -15.484 -2.286 1.00 0.00 H new ATOM 0 HB3 MET A 24 -0.444 -15.626 -2.741 1.00 0.00 H new ATOM 0 HG2 MET A 24 0.414 -16.957 -4.806 1.00 0.00 H new ATOM 0 HG3 MET A 24 1.945 -17.049 -3.958 1.00 0.00 H new ATOM 0 HE1 MET A 24 1.311 -19.310 -0.925 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.517 -18.847 -2.149 1.00 0.00 H new ATOM 0 HE3 MET A 24 1.725 -17.596 -1.163 1.00 0.00 H new ATOM 371 N GLU A 25 -0.087 -12.165 -4.321 1.00 0.00 N ATOM 372 CA GLU A 25 -0.658 -10.904 -3.867 1.00 0.00 C ATOM 373 C GLU A 25 -1.793 -11.126 -2.854 1.00 0.00 C ATOM 374 O GLU A 25 -2.033 -10.262 -2.015 1.00 0.00 O ATOM 375 CB GLU A 25 -1.156 -10.099 -5.079 1.00 0.00 C ATOM 376 CG GLU A 25 -1.163 -8.601 -4.762 1.00 0.00 C ATOM 377 CD GLU A 25 -2.180 -7.833 -5.605 1.00 0.00 C ATOM 378 OE1 GLU A 25 -1.873 -7.584 -6.791 1.00 0.00 O ATOM 379 OE2 GLU A 25 -3.252 -7.513 -5.039 1.00 0.00 O ATOM 0 H GLU A 25 -0.076 -12.265 -5.336 1.00 0.00 H new ATOM 0 HA GLU A 25 0.121 -10.339 -3.355 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.515 -10.292 -5.939 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.160 -10.424 -5.351 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.388 -8.457 -3.705 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.168 -8.191 -4.935 1.00 0.00 H new ATOM 386 N SER A 26 -2.447 -12.293 -2.880 1.00 0.00 N ATOM 387 CA SER A 26 -3.409 -12.764 -1.894 1.00 0.00 C ATOM 388 C SER A 26 -2.846 -12.730 -0.468 1.00 0.00 C ATOM 389 O SER A 26 -3.549 -12.344 0.463 1.00 0.00 O ATOM 390 CB SER A 26 -3.808 -14.201 -2.258 1.00 0.00 C ATOM 391 OG SER A 26 -4.007 -14.329 -3.657 1.00 0.00 O ATOM 0 H SER A 26 -2.307 -12.966 -3.633 1.00 0.00 H new ATOM 0 HA SER A 26 -4.273 -12.100 -1.911 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.031 -14.893 -1.932 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.721 -14.475 -1.730 1.00 0.00 H new ATOM 0 HG SER A 26 -4.259 -15.252 -3.868 1.00 0.00 H new ATOM 397 N LYS A 27 -1.576 -13.112 -0.291 1.00 0.00 N ATOM 398 CA LYS A 27 -0.863 -13.020 0.974 1.00 0.00 C ATOM 399 C LYS A 27 -0.563 -11.550 1.263 1.00 0.00 C ATOM 400 O LYS A 27 -0.814 -11.045 2.357 1.00 0.00 O ATOM 401 CB LYS A 27 0.449 -13.826 0.906 1.00 0.00 C ATOM 402 CG LYS A 27 0.279 -15.326 0.591 1.00 0.00 C ATOM 403 CD LYS A 27 0.094 -16.173 1.854 1.00 0.00 C ATOM 404 CE LYS A 27 -0.022 -17.670 1.538 1.00 0.00 C ATOM 405 NZ LYS A 27 -1.203 -17.985 0.712 1.00 0.00 N ATOM 0 H LYS A 27 -1.009 -13.501 -1.044 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.478 -13.435 1.773 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.091 -13.381 0.146 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.968 -13.727 1.859 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.583 -15.461 -0.063 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.153 -15.681 0.044 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.937 -16.010 2.525 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.802 -15.845 2.381 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.878 -17.999 1.019 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.075 -18.232 2.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.302 -19.017 0.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.055 -17.592 1.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.086 -17.569 -0.234 1.00 0.00 H new ATOM 419 N CYS A 28 -0.047 -10.845 0.252 1.00 0.00 N ATOM 420 CA CYS A 28 0.428 -9.482 0.354 1.00 0.00 C ATOM 421 C CYS A 28 -0.701 -8.449 0.454 1.00 0.00 C ATOM 422 O CYS A 28 -0.413 -7.261 0.569 1.00 0.00 O ATOM 423 CB CYS A 28 1.437 -9.297 -0.774 1.00 0.00 C ATOM 424 SG CYS A 28 2.829 -10.438 -0.513 1.00 0.00 S ATOM 0 H CYS A 28 0.050 -11.230 -0.688 1.00 0.00 H new ATOM 0 HA CYS A 28 0.939 -9.296 1.299 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.965 -9.492 -1.737 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.793 -8.267 -0.796 1.00 0.00 H new ATOM 426 N GLN A 29 -1.969 -8.874 0.527 1.00 0.00 N ATOM 427 CA GLN A 29 -3.063 -7.982 0.904 1.00 0.00 C ATOM 428 C GLN A 29 -2.755 -7.319 2.256 1.00 0.00 C ATOM 429 O GLN A 29 -3.102 -6.156 2.443 1.00 0.00 O ATOM 430 CB GLN A 29 -4.414 -8.716 0.976 1.00 0.00 C ATOM 431 CG GLN A 29 -4.896 -9.336 -0.342 1.00 0.00 C ATOM 432 CD GLN A 29 -4.986 -8.342 -1.500 1.00 0.00 C ATOM 433 OE1 GLN A 29 -5.925 -7.555 -1.599 1.00 0.00 O ATOM 434 NE2 GLN A 29 -4.033 -8.395 -2.417 1.00 0.00 N ATOM 0 H GLN A 29 -2.258 -9.832 0.329 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.146 -7.221 0.128 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.340 -9.506 1.724 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.171 -8.015 1.327 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.219 -10.143 -0.621 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.877 -9.784 -0.184 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.263 -9.056 -2.315 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.069 -7.775 -3.226 1.00 0.00 H new ATOM 443 N ALA A 30 -2.044 -8.015 3.161 1.00 0.00 N ATOM 444 CA ALA A 30 -1.581 -7.482 4.438 1.00 0.00 C ATOM 445 C ALA A 30 -0.721 -6.236 4.250 1.00 0.00 C ATOM 446 O ALA A 30 -0.939 -5.205 4.878 1.00 0.00 O ATOM 447 CB ALA A 30 -0.727 -8.539 5.150 1.00 0.00 C ATOM 0 H ALA A 30 -1.773 -8.987 3.013 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.462 -7.221 5.024 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.380 -8.143 6.104 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.325 -9.433 5.324 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.132 -8.792 4.528 1.00 0.00 H new ATOM 453 N VAL A 31 0.304 -6.352 3.412 1.00 0.00 N ATOM 454 CA VAL A 31 1.286 -5.314 3.208 1.00 0.00 C ATOM 455 C VAL A 31 0.710 -4.216 2.304 1.00 0.00 C ATOM 456 O VAL A 31 1.071 -3.052 2.461 1.00 0.00 O ATOM 457 CB VAL A 31 2.575 -5.990 2.726 1.00 0.00 C ATOM 458 CG1 VAL A 31 2.432 -6.588 1.335 1.00 0.00 C ATOM 459 CG2 VAL A 31 3.806 -5.111 2.791 1.00 0.00 C ATOM 0 H VAL A 31 0.471 -7.187 2.850 1.00 0.00 H new ATOM 0 HA VAL A 31 1.544 -4.781 4.123 1.00 0.00 H new ATOM 0 HB VAL A 31 2.731 -6.797 3.442 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.372 -7.054 1.041 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.641 -7.338 1.341 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.180 -5.801 0.625 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.671 -5.669 2.432 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.657 -4.230 2.167 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.977 -4.800 3.822 1.00 0.00 H new ATOM 469 N ILE A 32 -0.250 -4.541 1.423 1.00 0.00 N ATOM 470 CA ILE A 32 -1.016 -3.544 0.707 1.00 0.00 C ATOM 471 C ILE A 32 -1.800 -2.748 1.751 1.00 0.00 C ATOM 472 O ILE A 32 -1.753 -1.522 1.716 1.00 0.00 O ATOM 473 CB ILE A 32 -1.881 -4.196 -0.397 1.00 0.00 C ATOM 474 CG1 ILE A 32 -0.972 -4.832 -1.479 1.00 0.00 C ATOM 475 CG2 ILE A 32 -2.840 -3.199 -1.084 1.00 0.00 C ATOM 476 CD1 ILE A 32 -1.662 -5.930 -2.290 1.00 0.00 C ATOM 0 H ILE A 32 -0.506 -5.502 1.197 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.377 -2.850 0.161 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.487 -4.954 0.099 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.629 -4.051 -2.158 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.087 -5.249 -0.999 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.418 -3.718 -1.848 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.517 -2.775 -0.342 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.262 -2.399 -1.547 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.966 -6.329 -3.028 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.981 -6.730 -1.622 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.532 -5.514 -2.799 1.00 0.00 H new ATOM 488 N GLN A 33 -2.418 -3.407 2.739 1.00 0.00 N ATOM 489 CA GLN A 33 -3.062 -2.744 3.850 1.00 0.00 C ATOM 490 C GLN A 33 -2.085 -1.849 4.622 1.00 0.00 C ATOM 491 O GLN A 33 -2.497 -0.808 5.136 1.00 0.00 O ATOM 492 CB GLN A 33 -3.736 -3.794 4.742 1.00 0.00 C ATOM 493 CG GLN A 33 -5.000 -3.260 5.397 1.00 0.00 C ATOM 494 CD GLN A 33 -6.051 -2.760 4.403 1.00 0.00 C ATOM 495 OE1 GLN A 33 -6.514 -1.627 4.488 1.00 0.00 O ATOM 496 NE2 GLN A 33 -6.418 -3.565 3.412 1.00 0.00 N ATOM 0 H GLN A 33 -2.479 -4.424 2.778 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.833 -2.073 3.471 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.981 -4.673 4.146 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.037 -4.117 5.513 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.440 -4.047 6.010 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.732 -2.444 6.069 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.029 -4.506 3.348 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.089 -3.242 2.715 1.00 0.00 H new ATOM 505 N GLU A 34 -0.790 -2.188 4.653 1.00 0.00 N ATOM 506 CA GLU A 34 0.200 -1.319 5.241 1.00 0.00 C ATOM 507 C GLU A 34 0.425 -0.065 4.390 1.00 0.00 C ATOM 508 O GLU A 34 0.423 1.039 4.940 1.00 0.00 O ATOM 509 CB GLU A 34 1.503 -2.085 5.486 1.00 0.00 C ATOM 510 CG GLU A 34 2.370 -1.220 6.385 1.00 0.00 C ATOM 511 CD GLU A 34 3.731 -1.864 6.644 1.00 0.00 C ATOM 512 OE1 GLU A 34 4.651 -1.594 5.838 1.00 0.00 O ATOM 513 OE2 GLU A 34 3.829 -2.620 7.635 1.00 0.00 O ATOM 0 H GLU A 34 -0.418 -3.059 4.275 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.174 -0.977 6.206 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.301 -3.047 5.956 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.011 -2.291 4.544 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.511 -0.243 5.924 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.859 -1.054 7.333 1.00 0.00 H new ATOM 520 N LEU A 35 0.603 -0.201 3.067 1.00 0.00 N ATOM 521 CA LEU A 35 0.751 0.964 2.203 1.00 0.00 C ATOM 522 C LEU A 35 -0.507 1.821 2.254 1.00 0.00 C ATOM 523 O LEU A 35 -0.403 3.036 2.177 1.00 0.00 O ATOM 524 CB LEU A 35 1.108 0.611 0.752 1.00 0.00 C ATOM 525 CG LEU A 35 2.484 1.024 0.241 1.00 0.00 C ATOM 526 CD1 LEU A 35 2.535 0.836 -1.277 1.00 0.00 C ATOM 527 CD2 LEU A 35 2.792 2.497 0.503 1.00 0.00 C ATOM 0 H LEU A 35 0.647 -1.098 2.583 1.00 0.00 H new ATOM 0 HA LEU A 35 1.597 1.531 2.591 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.018 -0.469 0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.359 1.064 0.102 1.00 0.00 H new ATOM 0 HG LEU A 35 3.209 0.404 0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.517 1.130 -1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.354 -0.211 -1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.770 1.455 -1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.784 2.735 0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.050 3.119 0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.763 2.690 1.575 1.00 0.00 H new ATOM 539 N ARG A 36 -1.673 1.208 2.449 1.00 0.00 N ATOM 540 CA ARG A 36 -2.964 1.861 2.625 1.00 0.00 C ATOM 541 C ARG A 36 -2.915 2.792 3.825 1.00 0.00 C ATOM 542 O ARG A 36 -3.130 3.996 3.712 1.00 0.00 O ATOM 543 CB ARG A 36 -4.018 0.770 2.863 1.00 0.00 C ATOM 544 CG ARG A 36 -5.137 0.712 1.836 1.00 0.00 C ATOM 545 CD ARG A 36 -5.339 -0.736 1.364 1.00 0.00 C ATOM 546 NE ARG A 36 -6.527 -0.944 0.528 1.00 0.00 N ATOM 547 CZ ARG A 36 -7.754 -1.273 0.958 1.00 0.00 C ATOM 548 NH1 ARG A 36 -8.064 -1.247 2.256 1.00 0.00 N ATOM 549 NH2 ARG A 36 -8.684 -1.652 0.082 1.00 0.00 N ATOM 0 H ARG A 36 -1.744 0.191 2.490 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.213 2.447 1.740 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.517 -0.198 2.885 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.459 0.923 3.848 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.061 1.094 2.270 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.896 1.350 0.986 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.457 -1.049 0.804 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.408 -1.383 2.238 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.408 -0.827 -0.478 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.361 -0.973 2.943 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.004 -1.501 2.561 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.462 -1.691 -0.913 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.618 -1.903 0.406 1.00 0.00 H new ATOM 563 N LYS A 37 -2.626 2.196 4.981 1.00 0.00 N ATOM 564 CA LYS A 37 -2.581 2.877 6.269 1.00 0.00 C ATOM 565 C LYS A 37 -1.484 3.932 6.288 1.00 0.00 C ATOM 566 O LYS A 37 -1.658 4.993 6.895 1.00 0.00 O ATOM 567 CB LYS A 37 -2.356 1.856 7.393 1.00 0.00 C ATOM 568 CG LYS A 37 -3.590 0.979 7.648 1.00 0.00 C ATOM 569 CD LYS A 37 -3.207 -0.223 8.517 1.00 0.00 C ATOM 570 CE LYS A 37 -4.437 -1.097 8.764 1.00 0.00 C ATOM 571 NZ LYS A 37 -4.098 -2.304 9.538 1.00 0.00 N ATOM 0 H LYS A 37 -2.412 1.201 5.047 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.536 3.378 6.428 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.509 1.220 7.137 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.093 2.383 8.310 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.366 1.563 8.143 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.005 0.636 6.700 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.428 -0.806 8.025 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.796 0.120 9.467 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.192 -0.521 9.299 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.875 -1.387 7.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.956 -2.873 9.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.396 -2.866 9.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.703 -2.026 10.459 1.00 0.00 H new ATOM 585 N CYS A 38 -0.370 3.655 5.603 1.00 0.00 N ATOM 586 CA CYS A 38 0.652 4.641 5.356 1.00 0.00 C ATOM 587 C CYS A 38 0.071 5.772 4.525 1.00 0.00 C ATOM 588 O CYS A 38 0.217 6.925 4.886 1.00 0.00 O ATOM 589 CB CYS A 38 1.852 4.022 4.643 1.00 0.00 C ATOM 590 SG CYS A 38 3.176 5.240 4.421 1.00 0.00 S ATOM 0 H CYS A 38 -0.164 2.737 5.210 1.00 0.00 H new ATOM 0 HA CYS A 38 0.999 5.032 6.312 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.225 3.175 5.219 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.543 3.635 3.672 1.00 0.00 H new ATOM 592 N CYS A 39 -0.573 5.459 3.405 1.00 0.00 N ATOM 593 CA CYS A 39 -0.994 6.435 2.420 1.00 0.00 C ATOM 594 C CYS A 39 -2.030 7.391 2.975 1.00 0.00 C ATOM 595 O CYS A 39 -1.885 8.609 2.880 1.00 0.00 O ATOM 596 CB CYS A 39 -1.532 5.679 1.225 1.00 0.00 C ATOM 597 SG CYS A 39 -2.094 6.654 -0.178 1.00 0.00 S ATOM 0 H CYS A 39 -0.819 4.501 3.157 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.143 7.051 2.129 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.753 5.001 0.875 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.364 5.061 1.562 1.00 0.00 H new ATOM 599 N ALA A 40 -3.048 6.818 3.612 1.00 0.00 N ATOM 600 CA ALA A 40 -4.189 7.539 4.139 1.00 0.00 C ATOM 601 C ALA A 40 -3.812 8.446 5.318 1.00 0.00 C ATOM 602 O ALA A 40 -4.672 9.141 5.854 1.00 0.00 O ATOM 603 CB ALA A 40 -5.275 6.533 4.537 1.00 0.00 C ATOM 0 H ALA A 40 -3.097 5.813 3.777 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.570 8.199 3.360 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.138 7.067 4.935 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.576 5.958 3.662 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.884 5.858 5.298 1.00 0.00 H new ATOM 609 N GLN A 41 -2.538 8.453 5.731 1.00 0.00 N ATOM 610 CA GLN A 41 -2.006 9.317 6.749 1.00 0.00 C ATOM 611 C GLN A 41 -1.681 10.707 6.186 1.00 0.00 C ATOM 612 O GLN A 41 -1.333 11.605 6.951 1.00 0.00 O ATOM 613 CB GLN A 41 -0.740 8.627 7.248 1.00 0.00 C ATOM 614 CG GLN A 41 -0.532 8.667 8.739 1.00 0.00 C ATOM 615 CD GLN A 41 -1.582 7.896 9.545 1.00 0.00 C ATOM 616 OE1 GLN A 41 -2.018 8.356 10.593 1.00 0.00 O ATOM 617 NE2 GLN A 41 -2.014 6.714 9.111 1.00 0.00 N ATOM 0 H GLN A 41 -1.836 7.826 5.339 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.726 9.475 7.552 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.764 7.585 6.929 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.121 9.089 6.765 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.454 8.261 8.967 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.532 9.707 9.066 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.653 6.328 8.239 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.706 6.194 9.651 1.00 0.00 H new ATOM 626 N TYR A 42 -1.761 10.879 4.858 1.00 0.00 N ATOM 627 CA TYR A 42 -1.251 12.021 4.139 1.00 0.00 C ATOM 628 C TYR A 42 -2.177 12.433 2.989 1.00 0.00 C ATOM 629 O TYR A 42 -2.950 11.608 2.500 1.00 0.00 O ATOM 630 CB TYR A 42 0.095 11.640 3.539 1.00 0.00 C ATOM 631 CG TYR A 42 1.121 11.151 4.539 1.00 0.00 C ATOM 632 CD1 TYR A 42 1.922 12.051 5.261 1.00 0.00 C ATOM 633 CD2 TYR A 42 1.269 9.775 4.741 1.00 0.00 C ATOM 634 CE1 TYR A 42 2.895 11.563 6.148 1.00 0.00 C ATOM 635 CE2 TYR A 42 2.251 9.269 5.601 1.00 0.00 C ATOM 636 CZ TYR A 42 3.065 10.170 6.328 1.00 0.00 C ATOM 637 OH TYR A 42 3.976 9.708 7.230 1.00 0.00 O ATOM 0 H TYR A 42 -2.202 10.192 4.247 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.172 12.855 4.836 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.063 10.862 2.792 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.502 12.506 3.016 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.790 13.115 5.134 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.613 9.090 4.224 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.517 12.255 6.696 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.386 8.203 5.708 1.00 0.00 H new ATOM 0 HH TYR A 42 3.967 8.728 7.231 1.00 0.00 H new ATOM 647 N PRO A 43 -2.065 13.677 2.492 1.00 0.00 N ATOM 648 CA PRO A 43 -2.665 14.051 1.216 1.00 0.00 C ATOM 649 C PRO A 43 -1.855 13.306 0.143 1.00 0.00 C ATOM 650 O PRO A 43 -0.634 13.454 0.119 1.00 0.00 O ATOM 651 CB PRO A 43 -2.520 15.574 1.139 1.00 0.00 C ATOM 652 CG PRO A 43 -1.292 15.880 2.001 1.00 0.00 C ATOM 653 CD PRO A 43 -1.312 14.783 3.070 1.00 0.00 C ATOM 0 HA PRO A 43 -3.716 13.793 1.087 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.378 15.909 0.111 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -3.409 16.078 1.519 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -0.374 15.850 1.414 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.353 16.873 2.446 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -0.300 14.473 3.331 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.782 15.139 3.987 1.00 0.00 H new ATOM 661 N LYS A 44 -2.484 12.509 -0.735 1.00 0.00 N ATOM 662 CA LYS A 44 -1.774 11.555 -1.602 1.00 0.00 C ATOM 663 C LYS A 44 -0.542 12.096 -2.338 1.00 0.00 C ATOM 664 O LYS A 44 0.452 11.380 -2.432 1.00 0.00 O ATOM 665 CB LYS A 44 -2.748 10.848 -2.554 1.00 0.00 C ATOM 666 CG LYS A 44 -3.341 11.772 -3.632 1.00 0.00 C ATOM 667 CD LYS A 44 -4.397 11.073 -4.495 1.00 0.00 C ATOM 668 CE LYS A 44 -3.782 9.928 -5.306 1.00 0.00 C ATOM 669 NZ LYS A 44 -4.734 9.341 -6.266 1.00 0.00 N ATOM 0 H LYS A 44 -3.496 12.507 -0.864 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.350 10.826 -0.912 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.230 10.022 -3.041 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.561 10.415 -1.972 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.788 12.643 -3.152 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.539 12.138 -4.272 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.192 10.685 -3.858 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.854 11.796 -5.171 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.909 10.297 -5.844 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.432 9.152 -4.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.269 8.571 -6.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.556 8.964 -5.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.049 10.073 -6.934 1.00 0.00 H new ATOM 683 N GLY A 45 -0.560 13.364 -2.774 1.00 0.00 N ATOM 684 CA GLY A 45 0.557 14.024 -3.451 1.00 0.00 C ATOM 685 C GLY A 45 1.856 14.049 -2.635 1.00 0.00 C ATOM 686 O GLY A 45 2.922 14.282 -3.197 1.00 0.00 O ATOM 0 H GLY A 45 -1.373 13.970 -2.661 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.745 13.518 -4.398 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.270 15.048 -3.689 1.00 0.00 H new ATOM 690 N ARG A 46 1.785 13.762 -1.328 1.00 0.00 N ATOM 691 CA ARG A 46 2.906 13.506 -0.439 1.00 0.00 C ATOM 692 C ARG A 46 3.813 12.387 -0.954 1.00 0.00 C ATOM 693 O ARG A 46 4.989 12.346 -0.587 1.00 0.00 O ATOM 694 CB ARG A 46 2.274 13.085 0.896 1.00 0.00 C ATOM 695 CG ARG A 46 3.224 12.572 1.974 1.00 0.00 C ATOM 696 CD ARG A 46 4.061 13.670 2.616 1.00 0.00 C ATOM 697 NE ARG A 46 5.254 13.925 1.794 1.00 0.00 N ATOM 698 CZ ARG A 46 6.135 14.923 1.919 1.00 0.00 C ATOM 699 NH1 ARG A 46 5.937 15.899 2.802 1.00 0.00 N ATOM 700 NH2 ARG A 46 7.216 14.924 1.143 1.00 0.00 N ATOM 0 H ARG A 46 0.889 13.701 -0.844 1.00 0.00 H new ATOM 0 HA ARG A 46 3.536 14.392 -0.355 1.00 0.00 H new ATOM 0 HB2 ARG A 46 1.731 13.940 1.300 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.538 12.307 0.693 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.645 12.068 2.748 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.889 11.827 1.537 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.471 14.582 2.712 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.357 13.374 3.623 1.00 0.00 H new ATOM 0 HE ARG A 46 5.430 13.262 1.039 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.106 15.891 3.393 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.617 16.655 2.888 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.360 14.173 0.469 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.900 15.676 1.223 1.00 0.00 H new ATOM 714 N SER A 47 3.267 11.432 -1.717 1.00 0.00 N ATOM 715 CA SER A 47 3.961 10.219 -2.063 1.00 0.00 C ATOM 716 C SER A 47 3.521 9.692 -3.419 1.00 0.00 C ATOM 717 O SER A 47 2.341 9.681 -3.777 1.00 0.00 O ATOM 718 CB SER A 47 3.745 9.224 -0.922 1.00 0.00 C ATOM 719 OG SER A 47 3.912 7.880 -1.308 1.00 0.00 O ATOM 0 H SER A 47 2.326 11.494 -2.106 1.00 0.00 H new ATOM 0 HA SER A 47 5.030 10.400 -2.173 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.442 9.451 -0.116 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.740 9.356 -0.521 1.00 0.00 H new ATOM 0 HG SER A 47 4.772 7.549 -0.975 1.00 0.00 H new ATOM 725 N VAL A 48 4.513 9.201 -4.157 1.00 0.00 N ATOM 726 CA VAL A 48 4.343 8.606 -5.463 1.00 0.00 C ATOM 727 C VAL A 48 3.614 7.276 -5.301 1.00 0.00 C ATOM 728 O VAL A 48 2.571 7.057 -5.913 1.00 0.00 O ATOM 729 CB VAL A 48 5.699 8.422 -6.180 1.00 0.00 C ATOM 730 CG1 VAL A 48 5.417 8.089 -7.649 1.00 0.00 C ATOM 731 CG2 VAL A 48 6.603 9.664 -6.091 1.00 0.00 C ATOM 0 H VAL A 48 5.484 9.211 -3.846 1.00 0.00 H new ATOM 0 HA VAL A 48 3.749 9.271 -6.090 1.00 0.00 H new ATOM 0 HB VAL A 48 6.238 7.616 -5.683 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.360 7.954 -8.179 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.833 7.171 -7.708 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.858 8.905 -8.106 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.540 9.470 -6.614 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.100 10.514 -6.551 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.811 9.888 -5.045 1.00 0.00 H new ATOM 741 N VAL A 49 4.146 6.391 -4.452 1.00 0.00 N ATOM 742 CA VAL A 49 3.587 5.066 -4.239 1.00 0.00 C ATOM 743 C VAL A 49 2.157 5.172 -3.696 1.00 0.00 C ATOM 744 O VAL A 49 1.284 4.447 -4.162 1.00 0.00 O ATOM 745 CB VAL A 49 4.516 4.226 -3.342 1.00 0.00 C ATOM 746 CG1 VAL A 49 5.967 4.208 -3.848 1.00 0.00 C ATOM 747 CG2 VAL A 49 4.587 4.754 -1.914 1.00 0.00 C ATOM 0 H VAL A 49 4.979 6.581 -3.895 1.00 0.00 H new ATOM 0 HA VAL A 49 3.521 4.541 -5.192 1.00 0.00 H new ATOM 0 HB VAL A 49 4.077 3.229 -3.371 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.578 3.602 -3.179 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.997 3.784 -4.851 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.356 5.226 -3.873 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.255 4.125 -1.326 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.965 5.776 -1.922 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.591 4.739 -1.471 1.00 0.00 H new ATOM 757 N CYS A 50 1.897 6.115 -2.775 1.00 0.00 N ATOM 758 CA CYS A 50 0.583 6.376 -2.203 1.00 0.00 C ATOM 759 C CYS A 50 -0.354 6.937 -3.281 1.00 0.00 C ATOM 760 O CYS A 50 -1.537 6.591 -3.324 1.00 0.00 O ATOM 761 CB CYS A 50 0.746 7.403 -1.079 1.00 0.00 C ATOM 762 SG CYS A 50 -0.742 8.156 -0.376 1.00 0.00 S ATOM 0 H CYS A 50 2.621 6.729 -2.403 1.00 0.00 H new ATOM 0 HA CYS A 50 0.154 5.452 -1.814 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.290 6.922 -0.266 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.379 8.207 -1.454 1.00 0.00 H new ATOM 764 N SER A 51 0.175 7.757 -4.199 1.00 0.00 N ATOM 765 CA SER A 51 -0.586 8.212 -5.350 1.00 0.00 C ATOM 766 C SER A 51 -0.926 7.042 -6.276 1.00 0.00 C ATOM 767 O SER A 51 -1.979 7.071 -6.913 1.00 0.00 O ATOM 768 CB SER A 51 0.156 9.324 -6.098 1.00 0.00 C ATOM 769 OG SER A 51 0.373 10.435 -5.252 1.00 0.00 O ATOM 0 H SER A 51 1.129 8.114 -4.159 1.00 0.00 H new ATOM 0 HA SER A 51 -1.525 8.632 -4.990 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.111 8.948 -6.465 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.422 9.631 -6.970 1.00 0.00 H new ATOM 0 HG SER A 51 1.282 10.397 -4.889 1.00 0.00 H new ATOM 775 N GLY A 52 -0.105 5.977 -6.294 1.00 0.00 N ATOM 776 CA GLY A 52 -0.472 4.732 -6.971 1.00 0.00 C ATOM 777 C GLY A 52 -1.569 3.983 -6.233 1.00 0.00 C ATOM 778 O GLY A 52 -2.344 3.224 -6.810 1.00 0.00 O ATOM 0 H GLY A 52 0.812 5.958 -5.848 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.805 4.955 -7.985 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.407 4.094 -7.057 1.00 0.00 H new ATOM 782 N PHE A 53 -1.608 4.192 -4.927 1.00 0.00 N ATOM 783 CA PHE A 53 -2.354 3.425 -3.982 1.00 0.00 C ATOM 784 C PHE A 53 -3.805 3.784 -3.887 1.00 0.00 C ATOM 785 O PHE A 53 -4.659 2.910 -3.926 1.00 0.00 O ATOM 786 CB PHE A 53 -1.675 3.624 -2.647 1.00 0.00 C ATOM 787 CG PHE A 53 -1.497 2.300 -2.048 1.00 0.00 C ATOM 788 CD1 PHE A 53 -0.574 1.452 -2.665 1.00 0.00 C ATOM 789 CD2 PHE A 53 -2.326 1.881 -1.012 1.00 0.00 C ATOM 790 CE1 PHE A 53 -0.452 0.146 -2.217 1.00 0.00 C ATOM 791 CE2 PHE A 53 -2.182 0.575 -0.552 1.00 0.00 C ATOM 792 CZ PHE A 53 -1.253 -0.280 -1.154 1.00 0.00 C ATOM 0 H PHE A 53 -1.084 4.949 -4.488 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.358 2.385 -4.308 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -0.713 4.120 -2.775 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.278 4.261 -2.000 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.037 1.810 -3.481 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.057 2.547 -0.579 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.250 -0.531 -2.681 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.788 0.222 0.270 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.153 -1.292 -0.789 1.00 0.00 H new ATOM 802 N GLU A 54 -4.092 5.072 -3.785 1.00 0.00 N ATOM 803 CA GLU A 54 -5.476 5.501 -3.829 1.00 0.00 C ATOM 804 C GLU A 54 -6.095 5.157 -5.197 1.00 0.00 C ATOM 805 O GLU A 54 -7.293 4.886 -5.265 1.00 0.00 O ATOM 806 CB GLU A 54 -5.617 6.958 -3.379 1.00 0.00 C ATOM 807 CG GLU A 54 -5.025 7.130 -1.964 1.00 0.00 C ATOM 808 CD GLU A 54 -5.703 8.240 -1.157 1.00 0.00 C ATOM 809 OE1 GLU A 54 -5.927 9.325 -1.739 1.00 0.00 O ATOM 810 OE2 GLU A 54 -5.986 7.987 0.033 1.00 0.00 O ATOM 0 H GLU A 54 -3.405 5.818 -3.674 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.069 4.945 -3.103 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.103 7.616 -4.080 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.668 7.248 -3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.116 6.189 -1.422 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.960 7.348 -2.047 1.00 0.00 H new ATOM 817 N LYS A 55 -5.287 5.040 -6.268 1.00 0.00 N ATOM 818 CA LYS A 55 -5.749 4.467 -7.530 1.00 0.00 C ATOM 819 C LYS A 55 -5.965 2.952 -7.395 1.00 0.00 C ATOM 820 O LYS A 55 -6.931 2.428 -7.945 1.00 0.00 O ATOM 821 CB LYS A 55 -4.792 4.798 -8.685 1.00 0.00 C ATOM 822 CG LYS A 55 -4.748 6.304 -8.986 1.00 0.00 C ATOM 823 CD LYS A 55 -3.972 6.669 -10.262 1.00 0.00 C ATOM 824 CE LYS A 55 -2.463 6.397 -10.194 1.00 0.00 C ATOM 825 NZ LYS A 55 -2.125 4.985 -10.458 1.00 0.00 N ATOM 0 H LYS A 55 -4.311 5.337 -6.276 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.710 4.922 -7.770 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.790 4.449 -8.436 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.104 4.259 -9.580 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.769 6.675 -9.076 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.295 6.819 -8.139 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.391 6.110 -11.098 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.128 7.726 -10.476 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.951 7.030 -10.919 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.092 6.677 -9.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.213 4.933 -10.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.058 4.470 -9.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.866 4.555 -11.048 1.00 0.00 H new ATOM 839 N GLU A 56 -5.118 2.242 -6.639 1.00 0.00 N ATOM 840 CA GLU A 56 -5.350 0.851 -6.252 1.00 0.00 C ATOM 841 C GLU A 56 -6.682 0.729 -5.488 1.00 0.00 C ATOM 842 O GLU A 56 -7.436 -0.204 -5.738 1.00 0.00 O ATOM 843 CB GLU A 56 -4.154 0.280 -5.443 1.00 0.00 C ATOM 844 CG GLU A 56 -3.760 -1.147 -5.856 1.00 0.00 C ATOM 845 CD GLU A 56 -4.852 -2.180 -5.589 1.00 0.00 C ATOM 846 OE1 GLU A 56 -4.993 -2.585 -4.413 1.00 0.00 O ATOM 847 OE2 GLU A 56 -5.544 -2.546 -6.565 1.00 0.00 O ATOM 0 H GLU A 56 -4.244 2.624 -6.277 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.427 0.246 -7.155 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.293 0.937 -5.569 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.407 0.286 -4.383 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.515 -1.155 -6.918 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.857 -1.437 -5.318 1.00 0.00 H new ATOM 854 N GLU A 57 -7.022 1.673 -4.604 1.00 0.00 N ATOM 855 CA GLU A 57 -8.306 1.691 -3.910 1.00 0.00 C ATOM 856 C GLU A 57 -9.462 1.938 -4.884 1.00 0.00 C ATOM 857 O GLU A 57 -10.500 1.290 -4.759 1.00 0.00 O ATOM 858 CB GLU A 57 -8.334 2.707 -2.758 1.00 0.00 C ATOM 859 CG GLU A 57 -7.791 2.140 -1.437 1.00 0.00 C ATOM 860 CD GLU A 57 -6.286 1.875 -1.462 1.00 0.00 C ATOM 861 OE1 GLU A 57 -5.544 2.823 -1.118 1.00 0.00 O ATOM 862 OE2 GLU A 57 -5.911 0.724 -1.785 1.00 0.00 O ATOM 0 H GLU A 57 -6.409 2.448 -4.351 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.436 0.703 -3.469 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.747 3.581 -3.039 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.359 3.046 -2.606 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.016 2.838 -0.631 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.312 1.210 -1.208 1.00 0.00 H new ATOM 869 N GLU A 58 -9.293 2.813 -5.882 1.00 0.00 N ATOM 870 CA GLU A 58 -10.273 2.930 -6.958 1.00 0.00 C ATOM 871 C GLU A 58 -10.401 1.609 -7.730 1.00 0.00 C ATOM 872 O GLU A 58 -11.511 1.224 -8.086 1.00 0.00 O ATOM 873 CB GLU A 58 -9.953 4.103 -7.901 1.00 0.00 C ATOM 874 CG GLU A 58 -10.137 5.483 -7.252 1.00 0.00 C ATOM 875 CD GLU A 58 -11.589 5.744 -6.847 1.00 0.00 C ATOM 876 OE1 GLU A 58 -12.381 6.081 -7.752 1.00 0.00 O ATOM 877 OE2 GLU A 58 -11.886 5.586 -5.643 1.00 0.00 O ATOM 0 H GLU A 58 -8.495 3.442 -5.964 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.238 3.146 -6.499 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.924 4.009 -8.248 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.594 4.036 -8.780 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.498 5.557 -6.372 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.812 6.256 -7.948 1.00 0.00 H new ATOM 884 N GLU A 59 -9.302 0.877 -7.948 1.00 0.00 N ATOM 885 CA GLU A 59 -9.342 -0.461 -8.526 1.00 0.00 C ATOM 886 C GLU A 59 -10.068 -1.454 -7.608 1.00 0.00 C ATOM 887 O GLU A 59 -10.808 -2.310 -8.094 1.00 0.00 O ATOM 888 CB GLU A 59 -7.923 -0.924 -8.908 1.00 0.00 C ATOM 889 CG GLU A 59 -7.862 -2.295 -9.597 1.00 0.00 C ATOM 890 CD GLU A 59 -8.358 -2.254 -11.046 1.00 0.00 C ATOM 891 OE1 GLU A 59 -9.568 -2.011 -11.239 1.00 0.00 O ATOM 892 OE2 GLU A 59 -7.509 -2.450 -11.943 1.00 0.00 O ATOM 0 H GLU A 59 -8.361 1.201 -7.726 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.927 -0.424 -9.445 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.478 -0.180 -9.568 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.311 -0.957 -8.007 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.835 -2.660 -9.580 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.463 -3.007 -9.032 1.00 0.00 H new ATOM 899 N ASN A 60 -9.908 -1.330 -6.288 1.00 0.00 N ATOM 900 CA ASN A 60 -10.545 -2.206 -5.303 1.00 0.00 C ATOM 901 C ASN A 60 -12.067 -2.137 -5.367 1.00 0.00 C ATOM 902 O ASN A 60 -12.718 -3.125 -5.042 1.00 0.00 O ATOM 903 CB ASN A 60 -10.098 -1.891 -3.870 1.00 0.00 C ATOM 904 CG ASN A 60 -8.741 -2.475 -3.501 1.00 0.00 C ATOM 905 OD1 ASN A 60 -8.529 -2.918 -2.375 1.00 0.00 O ATOM 906 ND2 ASN A 60 -7.797 -2.528 -4.424 1.00 0.00 N ATOM 0 H ASN A 60 -9.323 -0.607 -5.868 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.223 -3.214 -5.564 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.064 -0.809 -3.741 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.847 -2.271 -3.175 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.889 -2.938 -4.202 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.976 -2.159 -5.358 1.00 0.00 H new ATOM 913 N LEU A 61 -12.629 -1.017 -5.831 1.00 0.00 N ATOM 914 CA LEU A 61 -14.055 -0.904 -6.144 1.00 0.00 C ATOM 915 C LEU A 61 -14.527 -1.998 -7.116 1.00 0.00 C ATOM 916 O LEU A 61 -15.701 -2.361 -7.088 1.00 0.00 O ATOM 917 CB LEU A 61 -14.387 0.477 -6.734 1.00 0.00 C ATOM 918 CG LEU A 61 -14.022 1.688 -5.851 1.00 0.00 C ATOM 919 CD1 LEU A 61 -14.346 2.986 -6.600 1.00 0.00 C ATOM 920 CD2 LEU A 61 -14.763 1.677 -4.506 1.00 0.00 C ATOM 0 H LEU A 61 -12.104 -0.159 -6.001 1.00 0.00 H new ATOM 0 HA LEU A 61 -14.586 -1.033 -5.201 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -13.870 0.578 -7.688 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -15.456 0.514 -6.945 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.955 1.626 -5.639 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -14.088 3.841 -5.975 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -13.771 3.026 -7.525 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -15.410 3.016 -6.833 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -14.471 2.550 -3.922 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -15.838 1.702 -4.683 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -14.507 0.771 -3.957 1.00 0.00 H new ATOM 932 N THR A 62 -13.636 -2.527 -7.967 1.00 0.00 N ATOM 933 CA THR A 62 -13.905 -3.654 -8.846 1.00 0.00 C ATOM 934 C THR A 62 -13.776 -4.983 -8.101 1.00 0.00 C ATOM 935 O THR A 62 -14.629 -5.859 -8.231 1.00 0.00 O ATOM 936 CB THR A 62 -12.997 -3.627 -10.092 1.00 0.00 C ATOM 937 OG1 THR A 62 -11.646 -3.931 -9.807 1.00 0.00 O ATOM 938 CG2 THR A 62 -13.039 -2.280 -10.819 1.00 0.00 C ATOM 0 H THR A 62 -12.686 -2.167 -8.059 1.00 0.00 H new ATOM 0 HA THR A 62 -14.936 -3.562 -9.187 1.00 0.00 H new ATOM 0 HB THR A 62 -13.405 -4.406 -10.736 1.00 0.00 H new ATOM 0 HG1 THR A 62 -11.204 -3.140 -9.434 1.00 0.00 H new ATOM 0 HG21 THR A 62 -12.382 -2.315 -11.688 1.00 0.00 H new ATOM 0 HG22 THR A 62 -14.059 -2.073 -11.143 1.00 0.00 H new ATOM 0 HG23 THR A 62 -12.706 -1.492 -10.144 1.00 0.00 H new ATOM 946 N ARG A 63 -12.687 -5.128 -7.335 1.00 0.00 N ATOM 947 CA ARG A 63 -12.333 -6.345 -6.607 1.00 0.00 C ATOM 948 C ARG A 63 -13.391 -6.681 -5.556 1.00 0.00 C ATOM 949 O ARG A 63 -13.815 -7.833 -5.445 1.00 0.00 O ATOM 950 CB ARG A 63 -10.943 -6.213 -5.950 1.00 0.00 C ATOM 951 CG ARG A 63 -9.827 -5.800 -6.927 1.00 0.00 C ATOM 952 CD ARG A 63 -8.418 -6.085 -6.382 1.00 0.00 C ATOM 953 NE ARG A 63 -8.157 -5.469 -5.064 1.00 0.00 N ATOM 954 CZ ARG A 63 -7.579 -6.075 -4.013 1.00 0.00 C ATOM 955 NH1 ARG A 63 -7.140 -7.327 -4.090 1.00 0.00 N ATOM 956 NH2 ARG A 63 -7.411 -5.450 -2.848 1.00 0.00 N ATOM 0 H ARG A 63 -12.010 -4.377 -7.203 1.00 0.00 H new ATOM 0 HA ARG A 63 -12.294 -7.162 -7.327 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -11.000 -5.478 -5.147 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.677 -7.165 -5.492 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.961 -6.332 -7.869 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.918 -4.736 -7.146 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.279 -7.163 -6.304 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.680 -5.720 -7.097 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.441 -4.497 -4.941 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -7.238 -7.849 -4.961 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.705 -7.766 -3.279 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.725 -4.486 -2.737 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.969 -5.936 -2.068 1.00 0.00 H new ATOM 970 N LYS A 64 -13.811 -5.687 -4.767 1.00 0.00 N ATOM 971 CA LYS A 64 -14.731 -5.823 -3.649 1.00 0.00 C ATOM 972 C LYS A 64 -16.173 -5.936 -4.156 1.00 0.00 C ATOM 973 O LYS A 64 -17.015 -5.093 -3.834 1.00 0.00 O ATOM 974 CB LYS A 64 -14.533 -4.649 -2.670 1.00 0.00 C ATOM 975 CG LYS A 64 -13.133 -4.646 -2.032 1.00 0.00 C ATOM 976 CD LYS A 64 -12.978 -3.460 -1.072 1.00 0.00 C ATOM 977 CE LYS A 64 -11.566 -3.375 -0.482 1.00 0.00 C ATOM 978 NZ LYS A 64 -11.243 -4.532 0.373 1.00 0.00 N ATOM 0 H LYS A 64 -13.501 -4.725 -4.902 1.00 0.00 H new ATOM 0 HA LYS A 64 -14.520 -6.742 -3.103 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.690 -3.709 -3.198 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -15.287 -4.703 -1.885 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.971 -5.580 -1.494 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.373 -4.591 -2.811 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.206 -2.534 -1.601 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.703 -3.552 -0.263 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.840 -3.312 -1.292 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.473 -2.459 0.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.298 -4.404 0.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.948 -4.609 1.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.254 -5.400 -0.199 1.00 0.00 H new ATOM 992 N SER A 65 -16.470 -6.991 -4.923 1.00 0.00 N ATOM 993 CA SER A 65 -17.783 -7.228 -5.520 1.00 0.00 C ATOM 994 C SER A 65 -18.225 -6.031 -6.379 1.00 0.00 C ATOM 995 O SER A 65 -17.405 -5.228 -6.820 1.00 0.00 O ATOM 996 CB SER A 65 -18.784 -7.623 -4.417 1.00 0.00 C ATOM 997 OG SER A 65 -18.299 -8.733 -3.686 1.00 0.00 O ATOM 0 H SER A 65 -15.789 -7.716 -5.149 1.00 0.00 H new ATOM 0 HA SER A 65 -17.736 -8.067 -6.214 1.00 0.00 H new ATOM 0 HB2 SER A 65 -18.946 -6.780 -3.745 1.00 0.00 H new ATOM 0 HB3 SER A 65 -19.749 -7.866 -4.862 1.00 0.00 H new ATOM 0 HG SER A 65 -18.944 -8.972 -2.988 1.00 0.00 H new ATOM 1003 N ALA A 66 -19.526 -5.919 -6.668 1.00 0.00 N ATOM 1004 CA ALA A 66 -20.126 -4.887 -7.512 1.00 0.00 C ATOM 1005 C ALA A 66 -20.084 -3.458 -6.932 1.00 0.00 C ATOM 1006 O ALA A 66 -20.938 -2.636 -7.253 1.00 0.00 O ATOM 1007 CB ALA A 66 -21.556 -5.323 -7.868 1.00 0.00 C ATOM 0 H ALA A 66 -20.217 -6.575 -6.303 1.00 0.00 H new ATOM 0 HA ALA A 66 -19.513 -4.808 -8.410 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -22.021 -4.565 -8.498 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -21.524 -6.271 -8.404 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -22.138 -5.442 -6.954 1.00 0.00 H new ATOM 1013 N SER A 67 -19.082 -3.129 -6.115 1.00 0.00 N ATOM 1014 CA SER A 67 -18.878 -1.850 -5.436 1.00 0.00 C ATOM 1015 C SER A 67 -18.439 -0.713 -6.376 1.00 0.00 C ATOM 1016 O SER A 67 -17.762 0.226 -5.960 1.00 0.00 O ATOM 1017 CB SER A 67 -17.875 -2.037 -4.289 1.00 0.00 C ATOM 1018 OG SER A 67 -18.332 -3.024 -3.384 1.00 0.00 O ATOM 0 H SER A 67 -18.341 -3.795 -5.896 1.00 0.00 H new ATOM 0 HA SER A 67 -19.844 -1.538 -5.040 1.00 0.00 H new ATOM 0 HB2 SER A 67 -16.904 -2.326 -4.691 1.00 0.00 H new ATOM 0 HB3 SER A 67 -17.734 -1.092 -3.764 1.00 0.00 H new ATOM 0 HG SER A 67 -17.604 -3.651 -3.189 1.00 0.00 H new ATOM 1024 N LYS A 68 -18.803 -0.804 -7.656 1.00 0.00 N ATOM 1025 CA LYS A 68 -18.329 0.042 -8.739 1.00 0.00 C ATOM 1026 C LYS A 68 -18.661 1.505 -8.442 1.00 0.00 C ATOM 1027 O LYS A 68 -19.811 1.928 -8.552 1.00 0.00 O ATOM 1028 CB LYS A 68 -18.913 -0.435 -10.085 1.00 0.00 C ATOM 1029 CG LYS A 68 -18.635 -1.912 -10.427 1.00 0.00 C ATOM 1030 CD LYS A 68 -17.136 -2.235 -10.540 1.00 0.00 C ATOM 1031 CE LYS A 68 -16.884 -3.684 -10.973 1.00 0.00 C ATOM 1032 NZ LYS A 68 -17.282 -4.659 -9.938 1.00 0.00 N ATOM 0 H LYS A 68 -19.470 -1.507 -7.976 1.00 0.00 H new ATOM 0 HA LYS A 68 -17.245 -0.035 -8.818 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -19.991 -0.277 -10.073 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -18.508 0.189 -10.882 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -19.080 -2.546 -9.660 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -19.125 -2.159 -11.369 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -16.674 -1.558 -11.258 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.655 -2.057 -9.578 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -17.436 -3.887 -11.891 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.826 -3.813 -11.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.617 -5.458 -9.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -17.268 -4.200 -9.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -18.241 -5.006 -10.139 1.00 0.00 H new TER 1046 LYS A 68