USER MOD reduce.3.24.130724 H: found=0, std=0, add=955, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 954 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 113 LYS NZ :NH3+ -164:sc= 1.22 (180deg=0) USER MOD Set 1.2: A 115 GLN : amide:sc= 1.11 K(o=2.3,f=-8.6!) USER MOD Set 2.1: A 41 THR OG1 : rot -7:sc= 1.82 USER MOD Set 2.2: A 57 SER OG : rot -153:sc= 1.25 USER MOD Set 2.3: A 70 LYS NZ :NH3+ 169:sc= 2.08 (180deg=1.92) USER MOD Set 3.1: A 56 THR OG1 : rot -58:sc= 1.16 USER MOD Set 3.2: A 71 ASN : amide:sc= 2.19 K(o=3.4,f=-1.8!) USER MOD Set 4.1: A 33 GLN : amide:sc= 1.06 K(o=2.3,f=1) USER MOD Set 4.2: A 43 SER OG : rot 154:sc= 1.19 USER MOD Set 5.1: A 9 LYS NZ :NH3+ 142:sc= 2.5 (180deg=0.475) USER MOD Set 5.2: A 31 SER OG : rot -6:sc= 1.03 USER MOD Set 5.3: A 34 GLN : amide:sc= 1.55 K(o=5.1,f=-5.3) USER MOD Set 6.1: A 13 TYR OH : rot -47:sc= 1.17 USER MOD Set 6.2: A 14 GLN : amide:sc= 0.444 K(o=5.3,f=2!) USER MOD Set 6.3: A 21 ASN : amide:sc= 1.11 K(o=5.3,f=3.6) USER MOD Set 6.4: A 25 GLN : amide:sc= 1.93 K(o=5.3,f=0.035) USER MOD Set 6.5: A 95 GLN : amide:sc= 0.648 K(o=5.3,f=-1.4) USER MOD Set 7.1: A 8 TYR OH : rot -48:sc= 1.17 USER MOD Set 7.2: A 10 GLN : amide:sc= 1.38 K(o=2.5,f=-1.6) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 1.84 (180deg=1.76) USER MOD Single : A 4 SER OG : rot -33:sc= 1.38! USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 173:sc= 2.37 (180deg=2.19) USER MOD Single : A 20 GLN : amide:sc= 1.09 K(o=1.1,f=-2.6!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 GLN : amide:sc= 1.16 K(o=1.2,f=-0.055) USER MOD Single : A 32 LYS NZ :NH3+ -139:sc= 0.235 (180deg=-0.351) USER MOD Single : A 36 SER OG : rot -92:sc= 1.12 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= 0.141 K(o=0.14,f=-1.8) USER MOD Single : A 55 TYR OH : rot 109:sc= 1.1 USER MOD Single : A 58 THR OG1 : rot -85:sc= 0.124 USER MOD Single : A 59 GLN : amide:sc= 0.706 K(o=0.71,f=-6.2!) USER MOD Single : A 67 THR OG1 : rot 39:sc= 1.02 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 2 K(o=2,f=-2.5!) USER MOD Single : A 80 GLN : amide:sc= 2.02 K(o=2,f=-8.2!) USER MOD Single : A 88 TYR OH : rot 89:sc= 0.963 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0.045 K(o=0.045,f=-2.7!) USER MOD Single : A 98 LYS NZ :NH3+ -167:sc= 1.19 (180deg=1.06) USER MOD Single : A 102 LYS NZ :NH3+ -104:sc= 2.51 (180deg=-0.847) USER MOD Single : A 103 GLN : amide:sc= 1.51 K(o=1.5,f=-6!) USER MOD Single : A 107 ASN : amide:sc= -0.126 K(o=-0.13,f=-2.2!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 168:sc= 2.3 (180deg=2.16) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.727 19.330 -6.965 1.00 0.00 N ATOM 2 CA MET A 1 9.006 19.190 -7.713 1.00 0.00 C ATOM 3 C MET A 1 9.577 17.742 -7.732 1.00 0.00 C ATOM 4 O MET A 1 9.354 16.957 -6.806 1.00 0.00 O ATOM 5 CB MET A 1 10.020 20.264 -7.266 1.00 0.00 C ATOM 6 CG MET A 1 10.520 20.246 -5.820 1.00 0.00 C ATOM 7 SD MET A 1 11.634 21.657 -5.623 1.00 0.00 S ATOM 8 CE MET A 1 12.003 21.545 -3.866 1.00 0.00 C ATOM 0 H1 MET A 1 7.377 20.305 -7.055 1.00 0.00 H new ATOM 0 H2 MET A 1 7.023 18.672 -7.356 1.00 0.00 H new ATOM 0 H3 MET A 1 7.886 19.111 -5.961 1.00 0.00 H new ATOM 0 HA MET A 1 8.784 19.379 -8.763 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.890 20.188 -7.918 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.570 21.240 -7.448 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.685 20.315 -5.123 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.039 19.312 -5.604 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.682 22.350 -3.585 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.079 21.633 -3.294 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.471 20.584 -3.653 1.00 0.00 H new ATOM 20 N ALA A 2 10.296 17.408 -8.815 1.00 0.00 N ATOM 21 CA ALA A 2 11.024 16.123 -8.945 1.00 0.00 C ATOM 22 C ALA A 2 12.507 16.237 -8.472 1.00 0.00 C ATOM 23 O ALA A 2 13.145 17.286 -8.597 1.00 0.00 O ATOM 24 CB ALA A 2 10.951 15.735 -10.431 1.00 0.00 C ATOM 0 H ALA A 2 10.393 18.016 -9.628 1.00 0.00 H new ATOM 0 HA ALA A 2 10.569 15.364 -8.309 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.474 14.791 -10.587 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.908 15.625 -10.728 1.00 0.00 H new ATOM 0 HB3 ALA A 2 11.420 16.513 -11.034 1.00 0.00 H new ATOM 30 N GLY A 3 13.030 15.136 -7.918 1.00 0.00 N ATOM 31 CA GLY A 3 14.350 15.130 -7.237 1.00 0.00 C ATOM 32 C GLY A 3 14.257 15.545 -5.761 1.00 0.00 C ATOM 33 O GLY A 3 14.567 16.687 -5.416 1.00 0.00 O ATOM 0 H GLY A 3 12.564 14.229 -7.923 1.00 0.00 H new ATOM 0 HA2 GLY A 3 14.784 14.132 -7.303 1.00 0.00 H new ATOM 0 HA3 GLY A 3 15.027 15.807 -7.759 1.00 0.00 H new ATOM 37 N SER A 4 13.764 14.639 -4.906 1.00 0.00 N ATOM 38 CA SER A 4 13.096 15.055 -3.646 1.00 0.00 C ATOM 39 C SER A 4 13.964 14.831 -2.381 1.00 0.00 C ATOM 40 O SER A 4 13.865 13.806 -1.699 1.00 0.00 O ATOM 41 CB SER A 4 11.731 14.321 -3.608 1.00 0.00 C ATOM 42 OG SER A 4 10.783 14.998 -2.788 1.00 0.00 O ATOM 0 H SER A 4 13.809 13.630 -5.051 1.00 0.00 H new ATOM 0 HA SER A 4 12.941 16.134 -3.637 1.00 0.00 H new ATOM 0 HB2 SER A 4 11.338 14.235 -4.621 1.00 0.00 H new ATOM 0 HB3 SER A 4 11.875 13.307 -3.234 1.00 0.00 H new ATOM 0 HG SER A 4 11.246 15.429 -2.040 1.00 0.00 H new ATOM 48 N GLY A 5 14.781 15.844 -2.054 1.00 0.00 N ATOM 49 CA GLY A 5 15.250 16.080 -0.672 1.00 0.00 C ATOM 50 C GLY A 5 16.412 15.207 -0.202 1.00 0.00 C ATOM 51 O GLY A 5 17.579 15.494 -0.473 1.00 0.00 O ATOM 0 H GLY A 5 15.135 16.520 -2.731 1.00 0.00 H new ATOM 0 HA2 GLY A 5 15.547 17.125 -0.584 1.00 0.00 H new ATOM 0 HA3 GLY A 5 14.410 15.929 0.006 1.00 0.00 H new ATOM 55 N ILE A 6 16.058 14.142 0.522 1.00 0.00 N ATOM 56 CA ILE A 6 17.048 13.161 1.060 1.00 0.00 C ATOM 57 C ILE A 6 17.272 11.995 0.062 1.00 0.00 C ATOM 58 O ILE A 6 16.669 10.921 0.176 1.00 0.00 O ATOM 59 CB ILE A 6 16.730 12.774 2.549 1.00 0.00 C ATOM 60 CG1 ILE A 6 17.888 11.952 3.178 1.00 0.00 C ATOM 61 CG2 ILE A 6 15.373 12.089 2.751 1.00 0.00 C ATOM 62 CD1 ILE A 6 17.867 11.895 4.707 1.00 0.00 C ATOM 0 H ILE A 6 15.090 13.922 0.759 1.00 0.00 H new ATOM 0 HA ILE A 6 18.031 13.627 1.136 1.00 0.00 H new ATOM 0 HB ILE A 6 16.648 13.721 3.083 1.00 0.00 H new ATOM 0 HG12 ILE A 6 17.848 10.935 2.788 1.00 0.00 H new ATOM 0 HG13 ILE A 6 18.837 12.380 2.856 1.00 0.00 H new ATOM 0 HG21 ILE A 6 15.236 11.857 3.807 1.00 0.00 H new ATOM 0 HG22 ILE A 6 14.576 12.755 2.419 1.00 0.00 H new ATOM 0 HG23 ILE A 6 15.341 11.167 2.170 1.00 0.00 H new ATOM 0 HD11 ILE A 6 18.710 11.301 5.061 1.00 0.00 H new ATOM 0 HD12 ILE A 6 17.940 12.905 5.110 1.00 0.00 H new ATOM 0 HD13 ILE A 6 16.936 11.438 5.041 1.00 0.00 H new ATOM 74 N ILE A 7 18.153 12.214 -0.932 1.00 0.00 N ATOM 75 CA ILE A 7 18.375 11.243 -2.053 1.00 0.00 C ATOM 76 C ILE A 7 19.361 10.085 -1.702 1.00 0.00 C ATOM 77 O ILE A 7 20.466 9.956 -2.234 1.00 0.00 O ATOM 78 CB ILE A 7 18.631 12.029 -3.378 1.00 0.00 C ATOM 79 CG1 ILE A 7 18.585 11.149 -4.659 1.00 0.00 C ATOM 80 CG2 ILE A 7 19.939 12.851 -3.406 1.00 0.00 C ATOM 81 CD1 ILE A 7 17.255 10.438 -4.912 1.00 0.00 C ATOM 0 H ILE A 7 18.730 13.053 -0.994 1.00 0.00 H new ATOM 0 HA ILE A 7 17.465 10.669 -2.227 1.00 0.00 H new ATOM 0 HB ILE A 7 17.789 12.721 -3.386 1.00 0.00 H new ATOM 0 HG12 ILE A 7 18.813 11.777 -5.520 1.00 0.00 H new ATOM 0 HG13 ILE A 7 19.373 10.399 -4.594 1.00 0.00 H new ATOM 0 HG21 ILE A 7 20.028 13.361 -4.365 1.00 0.00 H new ATOM 0 HG22 ILE A 7 19.922 13.589 -2.604 1.00 0.00 H new ATOM 0 HG23 ILE A 7 20.791 12.185 -3.269 1.00 0.00 H new ATOM 0 HD11 ILE A 7 17.325 9.851 -5.828 1.00 0.00 H new ATOM 0 HD12 ILE A 7 17.030 9.778 -4.074 1.00 0.00 H new ATOM 0 HD13 ILE A 7 16.461 11.178 -5.015 1.00 0.00 H new ATOM 93 N TYR A 8 18.891 9.212 -0.805 1.00 0.00 N ATOM 94 CA TYR A 8 19.599 7.985 -0.370 1.00 0.00 C ATOM 95 C TYR A 8 18.516 7.040 0.232 1.00 0.00 C ATOM 96 O TYR A 8 17.886 7.374 1.243 1.00 0.00 O ATOM 97 CB TYR A 8 20.724 8.339 0.635 1.00 0.00 C ATOM 98 CG TYR A 8 21.567 7.141 1.101 1.00 0.00 C ATOM 99 CD1 TYR A 8 22.448 6.491 0.220 1.00 0.00 C ATOM 100 CD2 TYR A 8 21.458 6.664 2.416 1.00 0.00 C ATOM 101 CE1 TYR A 8 23.181 5.379 0.640 1.00 0.00 C ATOM 102 CE2 TYR A 8 22.202 5.560 2.836 1.00 0.00 C ATOM 103 CZ TYR A 8 23.058 4.915 1.948 1.00 0.00 C ATOM 104 OH TYR A 8 23.705 3.778 2.335 1.00 0.00 O ATOM 0 H TYR A 8 17.988 9.334 -0.346 1.00 0.00 H new ATOM 0 HA TYR A 8 20.098 7.482 -1.198 1.00 0.00 H new ATOM 0 HB2 TYR A 8 21.385 9.075 0.176 1.00 0.00 H new ATOM 0 HB3 TYR A 8 20.277 8.813 1.509 1.00 0.00 H new ATOM 0 HD1 TYR A 8 22.559 6.855 -0.791 1.00 0.00 H new ATOM 0 HD2 TYR A 8 20.792 7.156 3.110 1.00 0.00 H new ATOM 0 HE1 TYR A 8 23.844 4.878 -0.050 1.00 0.00 H new ATOM 0 HE2 TYR A 8 22.113 5.206 3.852 1.00 0.00 H new ATOM 0 HH TYR A 8 23.548 3.071 1.675 1.00 0.00 H new ATOM 114 N LYS A 9 18.261 5.893 -0.409 1.00 0.00 N ATOM 115 CA LYS A 9 17.184 4.958 0.017 1.00 0.00 C ATOM 116 C LYS A 9 17.698 3.499 -0.159 1.00 0.00 C ATOM 117 O LYS A 9 18.156 3.122 -1.243 1.00 0.00 O ATOM 118 CB LYS A 9 15.907 5.226 -0.820 1.00 0.00 C ATOM 119 CG LYS A 9 14.595 4.846 -0.111 1.00 0.00 C ATOM 120 CD LYS A 9 13.742 6.011 0.412 1.00 0.00 C ATOM 121 CE LYS A 9 14.269 6.845 1.591 1.00 0.00 C ATOM 122 NZ LYS A 9 15.204 7.925 1.159 1.00 0.00 N ATOM 0 H LYS A 9 18.781 5.579 -1.228 1.00 0.00 H new ATOM 0 HA LYS A 9 16.927 5.110 1.065 1.00 0.00 H new ATOM 0 HB2 LYS A 9 15.873 6.284 -1.080 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.976 4.670 -1.755 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.989 4.262 -0.803 1.00 0.00 H new ATOM 0 HG3 LYS A 9 14.836 4.195 0.729 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.567 6.692 -0.421 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.773 5.606 0.702 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.427 7.290 2.122 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.779 6.189 2.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.041 8.776 1.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 16.186 7.605 1.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.038 8.147 0.157 1.00 0.00 H new ATOM 136 N GLN A 10 17.657 2.699 0.912 1.00 0.00 N ATOM 137 CA GLN A 10 18.279 1.348 0.922 1.00 0.00 C ATOM 138 C GLN A 10 17.189 0.270 1.235 1.00 0.00 C ATOM 139 O GLN A 10 16.628 0.327 2.338 1.00 0.00 O ATOM 140 CB GLN A 10 19.433 1.289 1.956 1.00 0.00 C ATOM 141 CG GLN A 10 20.588 2.293 1.775 1.00 0.00 C ATOM 142 CD GLN A 10 21.541 2.109 0.606 1.00 0.00 C ATOM 143 OE1 GLN A 10 22.726 1.843 0.786 1.00 0.00 O ATOM 144 NE2 GLN A 10 21.127 2.348 -0.616 1.00 0.00 N ATOM 0 H GLN A 10 17.202 2.954 1.789 1.00 0.00 H new ATOM 0 HA GLN A 10 18.702 1.141 -0.061 1.00 0.00 H new ATOM 0 HB2 GLN A 10 19.007 1.439 2.948 1.00 0.00 H new ATOM 0 HB3 GLN A 10 19.853 0.283 1.938 1.00 0.00 H new ATOM 0 HG2 GLN A 10 20.150 3.288 1.691 1.00 0.00 H new ATOM 0 HG3 GLN A 10 21.181 2.282 2.689 1.00 0.00 H new ATOM 0 HE21 GLN A 10 20.147 2.571 -0.788 1.00 0.00 H new ATOM 0 HE22 GLN A 10 21.786 2.311 -1.394 1.00 0.00 H new ATOM 153 N PRO A 11 16.844 -0.710 0.351 1.00 0.00 N ATOM 154 CA PRO A 11 15.702 -1.653 0.610 1.00 0.00 C ATOM 155 C PRO A 11 16.031 -2.843 1.552 1.00 0.00 C ATOM 156 O PRO A 11 16.110 -4.005 1.145 1.00 0.00 O ATOM 157 CB PRO A 11 15.293 -2.050 -0.834 1.00 0.00 C ATOM 158 CG PRO A 11 16.617 -2.015 -1.628 1.00 0.00 C ATOM 159 CD PRO A 11 17.359 -0.806 -1.035 1.00 0.00 C ATOM 0 HA PRO A 11 14.890 -1.200 1.179 1.00 0.00 H new ATOM 0 HB2 PRO A 11 14.839 -3.041 -0.861 1.00 0.00 H new ATOM 0 HB3 PRO A 11 14.563 -1.354 -1.247 1.00 0.00 H new ATOM 0 HG2 PRO A 11 17.185 -2.936 -1.501 1.00 0.00 H new ATOM 0 HG3 PRO A 11 16.441 -1.893 -2.697 1.00 0.00 H new ATOM 0 HD2 PRO A 11 18.439 -0.955 -1.050 1.00 0.00 H new ATOM 0 HD3 PRO A 11 17.155 0.103 -1.600 1.00 0.00 H new ATOM 167 N ILE A 12 16.163 -2.520 2.842 1.00 0.00 N ATOM 168 CA ILE A 12 16.350 -3.514 3.941 1.00 0.00 C ATOM 169 C ILE A 12 15.345 -3.192 5.087 1.00 0.00 C ATOM 170 O ILE A 12 15.682 -2.598 6.114 1.00 0.00 O ATOM 171 CB ILE A 12 17.856 -3.646 4.322 1.00 0.00 C ATOM 172 CG1 ILE A 12 18.155 -4.776 5.345 1.00 0.00 C ATOM 173 CG2 ILE A 12 18.524 -2.347 4.832 1.00 0.00 C ATOM 174 CD1 ILE A 12 17.839 -6.190 4.860 1.00 0.00 C ATOM 0 H ILE A 12 16.145 -1.555 3.172 1.00 0.00 H new ATOM 0 HA ILE A 12 16.098 -4.527 3.627 1.00 0.00 H new ATOM 0 HB ILE A 12 18.298 -3.901 3.359 1.00 0.00 H new ATOM 0 HG12 ILE A 12 19.210 -4.729 5.617 1.00 0.00 H new ATOM 0 HG13 ILE A 12 17.583 -4.584 6.253 1.00 0.00 H new ATOM 0 HG21 ILE A 12 19.569 -2.545 5.070 1.00 0.00 H new ATOM 0 HG22 ILE A 12 18.466 -1.581 4.059 1.00 0.00 H new ATOM 0 HG23 ILE A 12 18.008 -1.999 5.727 1.00 0.00 H new ATOM 0 HD11 ILE A 12 18.082 -6.907 5.645 1.00 0.00 H new ATOM 0 HD12 ILE A 12 16.779 -6.263 4.617 1.00 0.00 H new ATOM 0 HD13 ILE A 12 18.431 -6.411 3.972 1.00 0.00 H new ATOM 186 N TYR A 13 14.071 -3.544 4.861 1.00 0.00 N ATOM 187 CA TYR A 13 12.926 -3.101 5.698 1.00 0.00 C ATOM 188 C TYR A 13 11.707 -4.014 5.354 1.00 0.00 C ATOM 189 O TYR A 13 11.432 -4.284 4.178 1.00 0.00 O ATOM 190 CB TYR A 13 12.645 -1.601 5.416 1.00 0.00 C ATOM 191 CG TYR A 13 11.660 -0.894 6.356 1.00 0.00 C ATOM 192 CD1 TYR A 13 11.836 -0.909 7.752 1.00 0.00 C ATOM 193 CD2 TYR A 13 10.602 -0.147 5.824 1.00 0.00 C ATOM 194 CE1 TYR A 13 10.950 -0.228 8.590 1.00 0.00 C ATOM 195 CE2 TYR A 13 9.734 0.556 6.664 1.00 0.00 C ATOM 196 CZ TYR A 13 9.895 0.499 8.046 1.00 0.00 C ATOM 197 OH TYR A 13 9.001 1.120 8.865 1.00 0.00 O ATOM 0 H TYR A 13 13.795 -4.149 4.088 1.00 0.00 H new ATOM 0 HA TYR A 13 13.137 -3.193 6.763 1.00 0.00 H new ATOM 0 HB2 TYR A 13 13.593 -1.065 5.452 1.00 0.00 H new ATOM 0 HB3 TYR A 13 12.267 -1.512 4.398 1.00 0.00 H new ATOM 0 HD1 TYR A 13 12.665 -1.453 8.180 1.00 0.00 H new ATOM 0 HD2 TYR A 13 10.455 -0.114 4.755 1.00 0.00 H new ATOM 0 HE1 TYR A 13 11.084 -0.266 9.661 1.00 0.00 H new ATOM 0 HE2 TYR A 13 8.935 1.146 6.240 1.00 0.00 H new ATOM 0 HH TYR A 13 8.719 0.501 9.570 1.00 0.00 H new ATOM 207 N GLN A 14 10.988 -4.476 6.385 1.00 0.00 N ATOM 208 CA GLN A 14 9.927 -5.520 6.264 1.00 0.00 C ATOM 209 C GLN A 14 8.823 -5.381 5.177 1.00 0.00 C ATOM 210 O GLN A 14 8.387 -6.397 4.630 1.00 0.00 O ATOM 211 CB GLN A 14 9.362 -5.880 7.662 1.00 0.00 C ATOM 212 CG GLN A 14 8.432 -4.906 8.411 1.00 0.00 C ATOM 213 CD GLN A 14 9.060 -3.637 8.973 1.00 0.00 C ATOM 214 OE1 GLN A 14 10.272 -3.465 9.064 1.00 0.00 O ATOM 215 NE2 GLN A 14 8.254 -2.705 9.415 1.00 0.00 N ATOM 0 H GLN A 14 11.117 -4.142 7.340 1.00 0.00 H new ATOM 0 HA GLN A 14 10.476 -6.359 5.836 1.00 0.00 H new ATOM 0 HB2 GLN A 14 8.822 -6.821 7.557 1.00 0.00 H new ATOM 0 HB3 GLN A 14 10.215 -6.073 8.313 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.631 -4.614 7.732 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.969 -5.448 9.236 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.244 -2.830 9.348 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.636 -1.853 9.827 1.00 0.00 H new ATOM 224 N GLY A 15 8.402 -4.157 4.844 1.00 0.00 N ATOM 225 CA GLY A 15 7.669 -3.895 3.587 1.00 0.00 C ATOM 226 C GLY A 15 8.027 -2.550 2.958 1.00 0.00 C ATOM 227 O GLY A 15 7.272 -1.585 3.082 1.00 0.00 O ATOM 0 H GLY A 15 8.552 -3.330 5.421 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.883 -4.692 2.875 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.597 -3.924 3.785 1.00 0.00 H new ATOM 231 N ASN A 16 9.151 -2.518 2.235 1.00 0.00 N ATOM 232 CA ASN A 16 9.608 -1.300 1.509 1.00 0.00 C ATOM 233 C ASN A 16 8.673 -0.742 0.376 1.00 0.00 C ATOM 234 O ASN A 16 8.739 0.458 0.109 1.00 0.00 O ATOM 235 CB ASN A 16 11.042 -1.624 1.020 1.00 0.00 C ATOM 236 CG ASN A 16 11.883 -0.446 0.556 1.00 0.00 C ATOM 237 OD1 ASN A 16 12.131 -0.255 -0.628 1.00 0.00 O ATOM 238 ND2 ASN A 16 12.391 0.362 1.457 1.00 0.00 N ATOM 0 H ASN A 16 9.773 -3.320 2.129 1.00 0.00 H new ATOM 0 HA ASN A 16 9.578 -0.457 2.199 1.00 0.00 H new ATOM 0 HB2 ASN A 16 11.573 -2.125 1.829 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.969 -2.336 0.198 1.00 0.00 H new ATOM 0 HD21 ASN A 16 12.985 1.139 1.168 1.00 0.00 H new ATOM 0 HD22 ASN A 16 12.191 0.213 2.446 1.00 0.00 H new ATOM 245 N LEU A 17 7.822 -1.573 -0.255 1.00 0.00 N ATOM 246 CA LEU A 17 6.866 -1.121 -1.303 1.00 0.00 C ATOM 247 C LEU A 17 5.468 -0.795 -0.646 1.00 0.00 C ATOM 248 O LEU A 17 5.408 0.142 0.150 1.00 0.00 O ATOM 249 CB LEU A 17 6.852 -2.148 -2.467 1.00 0.00 C ATOM 250 CG LEU A 17 8.206 -2.516 -3.128 1.00 0.00 C ATOM 251 CD1 LEU A 17 7.968 -3.604 -4.192 1.00 0.00 C ATOM 252 CD2 LEU A 17 8.927 -1.334 -3.778 1.00 0.00 C ATOM 0 H LEU A 17 7.772 -2.573 -0.059 1.00 0.00 H new ATOM 0 HA LEU A 17 7.178 -0.182 -1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.401 -3.068 -2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.194 -1.762 -3.246 1.00 0.00 H new ATOM 0 HG LEU A 17 8.853 -2.869 -2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.916 -3.868 -4.661 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.539 -4.487 -3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.281 -3.228 -4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.864 -1.676 -4.217 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.296 -0.907 -4.558 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.135 -0.575 -3.024 1.00 0.00 H new ATOM 264 N ILE A 18 4.372 -1.525 -0.933 1.00 0.00 N ATOM 265 CA ILE A 18 3.054 -1.351 -0.229 1.00 0.00 C ATOM 266 C ILE A 18 2.999 -2.311 0.996 1.00 0.00 C ATOM 267 O ILE A 18 3.133 -3.529 0.839 1.00 0.00 O ATOM 268 CB ILE A 18 1.886 -1.616 -1.247 1.00 0.00 C ATOM 269 CG1 ILE A 18 1.744 -0.475 -2.291 1.00 0.00 C ATOM 270 CG2 ILE A 18 0.502 -1.921 -0.624 1.00 0.00 C ATOM 271 CD1 ILE A 18 1.103 0.829 -1.818 1.00 0.00 C ATOM 0 H ILE A 18 4.359 -2.250 -1.651 1.00 0.00 H new ATOM 0 HA ILE A 18 2.943 -0.332 0.143 1.00 0.00 H new ATOM 0 HB ILE A 18 2.202 -2.536 -1.739 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.737 -0.243 -2.675 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.159 -0.855 -3.129 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.226 -2.087 -1.418 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.571 -2.814 -0.003 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.185 -1.077 -0.012 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.066 1.538 -2.646 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.091 0.630 -1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.694 1.251 -1.005 1.00 0.00 H new ATOM 283 N LYS A 19 2.733 -1.764 2.193 1.00 0.00 N ATOM 284 CA LYS A 19 2.477 -2.569 3.410 1.00 0.00 C ATOM 285 C LYS A 19 1.712 -1.719 4.479 1.00 0.00 C ATOM 286 O LYS A 19 2.024 -0.551 4.727 1.00 0.00 O ATOM 287 CB LYS A 19 3.808 -3.190 3.933 1.00 0.00 C ATOM 288 CG LYS A 19 3.586 -4.099 5.144 1.00 0.00 C ATOM 289 CD LYS A 19 4.691 -5.077 5.540 1.00 0.00 C ATOM 290 CE LYS A 19 4.780 -6.300 4.616 1.00 0.00 C ATOM 291 NZ LYS A 19 5.832 -7.230 5.099 1.00 0.00 N ATOM 0 H LYS A 19 2.688 -0.757 2.350 1.00 0.00 H new ATOM 0 HA LYS A 19 1.822 -3.407 3.170 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.279 -3.762 3.133 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.498 -2.391 4.203 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.386 -3.460 6.004 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.682 -4.679 4.960 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.648 -4.555 5.533 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.519 -5.414 6.562 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.818 -6.812 4.584 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.005 -5.981 3.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.804 -8.106 4.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.765 -6.782 4.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.664 -7.454 6.101 1.00 0.00 H new ATOM 305 N GLN A 20 0.733 -2.345 5.145 1.00 0.00 N ATOM 306 CA GLN A 20 -0.001 -1.747 6.301 1.00 0.00 C ATOM 307 C GLN A 20 0.823 -1.439 7.588 1.00 0.00 C ATOM 308 O GLN A 20 0.519 -0.438 8.233 1.00 0.00 O ATOM 309 CB GLN A 20 -1.269 -2.608 6.520 1.00 0.00 C ATOM 310 CG GLN A 20 -2.274 -2.057 7.555 1.00 0.00 C ATOM 311 CD GLN A 20 -3.691 -2.587 7.376 1.00 0.00 C ATOM 312 OE1 GLN A 20 -4.549 -1.920 6.804 1.00 0.00 O ATOM 313 NE2 GLN A 20 -3.994 -3.783 7.820 1.00 0.00 N ATOM 0 H GLN A 20 0.416 -3.285 4.907 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.272 -0.724 6.040 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.782 -2.719 5.564 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.961 -3.605 6.834 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.925 -2.309 8.556 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.291 -0.969 7.488 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.288 -4.344 8.296 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.936 -4.152 7.689 1.00 0.00 H new ATOM 322 N ASN A 21 1.857 -2.221 7.940 1.00 0.00 N ATOM 323 CA ASN A 21 2.837 -1.833 8.998 1.00 0.00 C ATOM 324 C ASN A 21 3.940 -0.889 8.463 1.00 0.00 C ATOM 325 O ASN A 21 3.975 0.266 8.879 1.00 0.00 O ATOM 326 CB ASN A 21 3.364 -3.119 9.678 1.00 0.00 C ATOM 327 CG ASN A 21 4.516 -2.961 10.666 1.00 0.00 C ATOM 328 OD1 ASN A 21 4.577 -2.034 11.466 1.00 0.00 O ATOM 329 ND2 ASN A 21 5.481 -3.848 10.633 1.00 0.00 N ATOM 0 H ASN A 21 2.046 -3.128 7.514 1.00 0.00 H new ATOM 0 HA ASN A 21 2.343 -1.235 9.763 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.532 -3.590 10.201 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.681 -3.809 8.896 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.274 -3.763 11.269 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.439 -4.623 9.971 1.00 0.00 H new ATOM 336 N ALA A 22 4.845 -1.364 7.597 1.00 0.00 N ATOM 337 CA ALA A 22 6.053 -0.603 7.198 1.00 0.00 C ATOM 338 C ALA A 22 5.830 0.804 6.588 1.00 0.00 C ATOM 339 O ALA A 22 6.550 1.735 6.949 1.00 0.00 O ATOM 340 CB ALA A 22 6.822 -1.539 6.269 1.00 0.00 C ATOM 0 H ALA A 22 4.769 -2.279 7.152 1.00 0.00 H new ATOM 0 HA ALA A 22 6.610 -0.335 8.096 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.733 -1.047 5.929 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.081 -2.452 6.805 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.201 -1.788 5.408 1.00 0.00 H new ATOM 346 N VAL A 23 4.803 0.982 5.746 1.00 0.00 N ATOM 347 CA VAL A 23 4.388 2.332 5.273 1.00 0.00 C ATOM 348 C VAL A 23 3.696 3.192 6.384 1.00 0.00 C ATOM 349 O VAL A 23 4.030 4.371 6.488 1.00 0.00 O ATOM 350 CB VAL A 23 3.546 2.266 3.965 1.00 0.00 C ATOM 351 CG1 VAL A 23 3.323 3.667 3.352 1.00 0.00 C ATOM 352 CG2 VAL A 23 4.169 1.384 2.863 1.00 0.00 C ATOM 0 H VAL A 23 4.239 0.218 5.373 1.00 0.00 H new ATOM 0 HA VAL A 23 5.312 2.856 5.028 1.00 0.00 H new ATOM 0 HB VAL A 23 2.603 1.822 4.284 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.731 3.576 2.441 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.794 4.297 4.067 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.287 4.118 3.115 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.524 1.389 1.985 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.150 1.776 2.595 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.274 0.363 3.230 1.00 0.00 H new ATOM 362 N GLU A 24 2.791 2.647 7.214 1.00 0.00 N ATOM 363 CA GLU A 24 2.268 3.385 8.414 1.00 0.00 C ATOM 364 C GLU A 24 3.344 3.754 9.508 1.00 0.00 C ATOM 365 O GLU A 24 3.261 4.820 10.119 1.00 0.00 O ATOM 366 CB GLU A 24 1.078 2.546 8.932 1.00 0.00 C ATOM 367 CG GLU A 24 0.033 3.310 9.766 1.00 0.00 C ATOM 368 CD GLU A 24 -1.251 2.508 9.968 1.00 0.00 C ATOM 369 OE1 GLU A 24 -2.110 2.495 9.056 1.00 0.00 O ATOM 370 OE2 GLU A 24 -1.417 1.896 11.043 1.00 0.00 O ATOM 0 H GLU A 24 2.401 1.712 7.093 1.00 0.00 H new ATOM 0 HA GLU A 24 1.943 4.385 8.127 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.574 2.097 8.076 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.470 1.728 9.536 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.459 3.559 10.738 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.204 4.252 9.271 1.00 0.00 H new ATOM 377 N GLN A 25 4.364 2.905 9.680 1.00 0.00 N ATOM 378 CA GLN A 25 5.532 3.133 10.563 1.00 0.00 C ATOM 379 C GLN A 25 6.644 4.103 10.045 1.00 0.00 C ATOM 380 O GLN A 25 7.227 4.792 10.883 1.00 0.00 O ATOM 381 CB GLN A 25 6.096 1.701 10.806 1.00 0.00 C ATOM 382 CG GLN A 25 7.224 1.573 11.846 1.00 0.00 C ATOM 383 CD GLN A 25 7.827 0.172 11.862 1.00 0.00 C ATOM 384 OE1 GLN A 25 8.744 -0.139 11.106 1.00 0.00 O ATOM 385 NE2 GLN A 25 7.323 -0.712 12.688 1.00 0.00 N ATOM 0 H GLN A 25 4.408 2.008 9.196 1.00 0.00 H new ATOM 0 HA GLN A 25 5.201 3.659 11.459 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.272 1.058 11.116 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.463 1.313 9.856 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.004 2.302 11.627 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.834 1.812 12.836 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.562 -0.449 13.314 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.692 -1.663 12.705 1.00 0.00 H new ATOM 394 N LEU A 26 6.984 4.125 8.739 1.00 0.00 N ATOM 395 CA LEU A 26 8.261 4.725 8.233 1.00 0.00 C ATOM 396 C LEU A 26 8.678 6.176 8.615 1.00 0.00 C ATOM 397 O LEU A 26 9.879 6.450 8.661 1.00 0.00 O ATOM 398 CB LEU A 26 8.451 4.427 6.718 1.00 0.00 C ATOM 399 CG LEU A 26 7.410 4.912 5.693 1.00 0.00 C ATOM 400 CD1 LEU A 26 7.461 6.406 5.378 1.00 0.00 C ATOM 401 CD2 LEU A 26 7.614 4.156 4.361 1.00 0.00 C ATOM 0 H LEU A 26 6.395 3.735 8.003 1.00 0.00 H new ATOM 0 HA LEU A 26 8.987 4.191 8.847 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.413 4.848 6.425 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.530 3.345 6.610 1.00 0.00 H new ATOM 0 HG LEU A 26 6.443 4.713 6.155 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.690 6.650 4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.289 6.976 6.291 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.440 6.659 4.971 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.878 4.497 3.633 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.617 4.351 3.982 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.491 3.086 4.527 1.00 0.00 H new ATOM 413 N GLN A 27 7.715 7.075 8.880 1.00 0.00 N ATOM 414 CA GLN A 27 7.978 8.447 9.424 1.00 0.00 C ATOM 415 C GLN A 27 9.017 9.342 8.657 1.00 0.00 C ATOM 416 O GLN A 27 9.885 9.984 9.252 1.00 0.00 O ATOM 417 CB GLN A 27 8.205 8.317 10.954 1.00 0.00 C ATOM 418 CG GLN A 27 7.960 9.612 11.754 1.00 0.00 C ATOM 419 CD GLN A 27 8.157 9.443 13.255 1.00 0.00 C ATOM 420 OE1 GLN A 27 9.222 9.699 13.805 1.00 0.00 O ATOM 421 NE2 GLN A 27 7.147 9.019 13.978 1.00 0.00 N ATOM 0 H GLN A 27 6.725 6.884 8.728 1.00 0.00 H new ATOM 0 HA GLN A 27 7.090 9.050 9.235 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.548 7.538 11.340 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.229 7.986 11.129 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.635 10.387 11.392 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.944 9.960 11.565 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.256 8.803 13.532 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.253 8.906 14.986 1.00 0.00 H new ATOM 430 N VAL A 28 8.876 9.414 7.326 1.00 0.00 N ATOM 431 CA VAL A 28 9.748 10.246 6.449 1.00 0.00 C ATOM 432 C VAL A 28 8.978 11.564 6.104 1.00 0.00 C ATOM 433 O VAL A 28 7.893 11.513 5.520 1.00 0.00 O ATOM 434 CB VAL A 28 10.145 9.443 5.160 1.00 0.00 C ATOM 435 CG1 VAL A 28 10.977 10.283 4.160 1.00 0.00 C ATOM 436 CG2 VAL A 28 10.979 8.178 5.477 1.00 0.00 C ATOM 0 H VAL A 28 8.157 8.901 6.816 1.00 0.00 H new ATOM 0 HA VAL A 28 10.676 10.502 6.960 1.00 0.00 H new ATOM 0 HB VAL A 28 9.188 9.168 4.718 1.00 0.00 H new ATOM 0 HG11 VAL A 28 11.222 9.675 3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.399 11.152 3.845 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.897 10.615 4.641 1.00 0.00 H new ATOM 0 HG21 VAL A 28 11.225 7.662 4.549 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.898 8.467 5.986 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.402 7.513 6.119 1.00 0.00 H new ATOM 446 N GLY A 29 9.579 12.720 6.422 1.00 0.00 N ATOM 447 CA GLY A 29 9.035 14.047 6.035 1.00 0.00 C ATOM 448 C GLY A 29 9.915 14.910 5.110 1.00 0.00 C ATOM 449 O GLY A 29 9.973 16.124 5.291 1.00 0.00 O ATOM 0 H GLY A 29 10.450 12.771 6.951 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.075 13.891 5.544 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.839 14.614 6.945 1.00 0.00 H new ATOM 453 N GLN A 30 10.568 14.289 4.118 1.00 0.00 N ATOM 454 CA GLN A 30 11.542 14.972 3.216 1.00 0.00 C ATOM 455 C GLN A 30 11.713 14.241 1.829 1.00 0.00 C ATOM 456 O GLN A 30 12.816 14.210 1.270 1.00 0.00 O ATOM 457 CB GLN A 30 12.889 15.074 3.994 1.00 0.00 C ATOM 458 CG GLN A 30 13.863 16.165 3.506 1.00 0.00 C ATOM 459 CD GLN A 30 13.527 17.574 3.974 1.00 0.00 C ATOM 460 OE1 GLN A 30 13.790 17.955 5.110 1.00 0.00 O ATOM 461 NE2 GLN A 30 12.959 18.405 3.137 1.00 0.00 N ATOM 0 H GLN A 30 10.445 13.299 3.908 1.00 0.00 H new ATOM 0 HA GLN A 30 11.171 15.964 2.957 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.667 15.255 5.046 1.00 0.00 H new ATOM 0 HB3 GLN A 30 13.394 14.110 3.937 1.00 0.00 H new ATOM 0 HG2 GLN A 30 14.868 15.914 3.846 1.00 0.00 H new ATOM 0 HG3 GLN A 30 13.883 16.154 2.416 1.00 0.00 H new ATOM 0 HE21 GLN A 30 12.735 18.101 2.189 1.00 0.00 H new ATOM 0 HE22 GLN A 30 12.740 19.357 3.432 1.00 0.00 H new ATOM 470 N SER A 31 10.651 13.616 1.276 1.00 0.00 N ATOM 471 CA SER A 31 10.714 12.946 -0.046 1.00 0.00 C ATOM 472 C SER A 31 9.298 12.574 -0.591 1.00 0.00 C ATOM 473 O SER A 31 8.629 11.710 -0.020 1.00 0.00 O ATOM 474 CB SER A 31 11.564 11.638 -0.009 1.00 0.00 C ATOM 475 OG SER A 31 12.923 11.881 0.343 1.00 0.00 O ATOM 0 H SER A 31 9.736 13.560 1.724 1.00 0.00 H new ATOM 0 HA SER A 31 11.185 13.674 -0.706 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.125 10.943 0.707 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.526 11.156 -0.986 1.00 0.00 H new ATOM 0 HG SER A 31 13.078 12.847 0.401 1.00 0.00 H new ATOM 481 N LYS A 32 8.894 13.157 -1.730 1.00 0.00 N ATOM 482 CA LYS A 32 7.651 12.771 -2.451 1.00 0.00 C ATOM 483 C LYS A 32 7.840 11.751 -3.603 1.00 0.00 C ATOM 484 O LYS A 32 7.122 10.750 -3.653 1.00 0.00 O ATOM 485 CB LYS A 32 6.800 13.998 -2.833 1.00 0.00 C ATOM 486 CG LYS A 32 7.195 14.892 -4.012 1.00 0.00 C ATOM 487 CD LYS A 32 6.261 16.117 -4.141 1.00 0.00 C ATOM 488 CE LYS A 32 4.820 15.796 -4.561 1.00 0.00 C ATOM 489 NZ LYS A 32 3.981 17.016 -4.422 1.00 0.00 N ATOM 0 H LYS A 32 9.412 13.909 -2.184 1.00 0.00 H new ATOM 0 HA LYS A 32 7.070 12.201 -1.725 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.790 13.638 -3.029 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.746 14.637 -1.951 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.223 15.231 -3.883 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.164 14.312 -4.934 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.236 16.638 -3.184 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.690 16.806 -4.868 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.800 15.443 -5.592 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.419 14.993 -3.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.056 16.758 -4.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.454 17.693 -3.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.845 17.452 -5.356 1.00 0.00 H new ATOM 503 N GLN A 33 8.797 11.988 -4.512 1.00 0.00 N ATOM 504 CA GLN A 33 9.117 11.046 -5.620 1.00 0.00 C ATOM 505 C GLN A 33 9.654 9.653 -5.196 1.00 0.00 C ATOM 506 O GLN A 33 9.241 8.656 -5.783 1.00 0.00 O ATOM 507 CB GLN A 33 10.050 11.824 -6.580 1.00 0.00 C ATOM 508 CG GLN A 33 10.544 11.020 -7.802 1.00 0.00 C ATOM 509 CD GLN A 33 11.016 11.900 -8.947 1.00 0.00 C ATOM 510 OE1 GLN A 33 10.220 12.580 -9.589 1.00 0.00 O ATOM 511 NE2 GLN A 33 12.291 11.924 -9.251 1.00 0.00 N ATOM 0 H GLN A 33 9.374 12.829 -4.510 1.00 0.00 H new ATOM 0 HA GLN A 33 8.195 10.748 -6.119 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.524 12.710 -6.935 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.917 12.172 -6.018 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.361 10.368 -7.493 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.738 10.377 -8.155 1.00 0.00 H new ATOM 0 HE21 GLN A 33 12.953 11.360 -8.718 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.621 12.507 -10.020 1.00 0.00 H new ATOM 520 N GLN A 34 10.533 9.584 -4.190 1.00 0.00 N ATOM 521 CA GLN A 34 10.995 8.296 -3.615 1.00 0.00 C ATOM 522 C GLN A 34 9.860 7.456 -2.941 1.00 0.00 C ATOM 523 O GLN A 34 9.711 6.285 -3.289 1.00 0.00 O ATOM 524 CB GLN A 34 12.149 8.540 -2.615 1.00 0.00 C ATOM 525 CG GLN A 34 13.444 9.109 -3.229 1.00 0.00 C ATOM 526 CD GLN A 34 14.463 9.512 -2.173 1.00 0.00 C ATOM 527 OE1 GLN A 34 15.078 8.684 -1.507 1.00 0.00 O ATOM 528 NE2 GLN A 34 14.674 10.785 -1.956 1.00 0.00 N ATOM 0 H GLN A 34 10.946 10.405 -3.749 1.00 0.00 H new ATOM 0 HA GLN A 34 11.349 7.700 -4.456 1.00 0.00 H new ATOM 0 HB2 GLN A 34 11.800 9.226 -1.844 1.00 0.00 H new ATOM 0 HB3 GLN A 34 12.384 7.598 -2.120 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.886 8.364 -3.890 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.200 9.976 -3.843 1.00 0.00 H new ATOM 0 HE21 GLN A 34 14.171 11.485 -2.501 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.341 11.077 -1.242 1.00 0.00 H new ATOM 537 N VAL A 35 9.040 8.044 -2.045 1.00 0.00 N ATOM 538 CA VAL A 35 7.828 7.354 -1.503 1.00 0.00 C ATOM 539 C VAL A 35 6.773 6.941 -2.576 1.00 0.00 C ATOM 540 O VAL A 35 6.337 5.789 -2.569 1.00 0.00 O ATOM 541 CB VAL A 35 7.277 8.142 -0.275 1.00 0.00 C ATOM 542 CG1 VAL A 35 6.499 9.424 -0.599 1.00 0.00 C ATOM 543 CG2 VAL A 35 6.393 7.269 0.633 1.00 0.00 C ATOM 0 H VAL A 35 9.184 8.985 -1.678 1.00 0.00 H new ATOM 0 HA VAL A 35 8.134 6.374 -1.136 1.00 0.00 H new ATOM 0 HB VAL A 35 8.192 8.440 0.238 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.163 9.890 0.327 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.146 10.115 -1.139 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.635 9.179 -1.216 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.035 7.864 1.473 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.542 6.896 0.063 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.975 6.427 1.007 1.00 0.00 H new ATOM 553 N SER A 36 6.427 7.827 -3.524 1.00 0.00 N ATOM 554 CA SER A 36 5.528 7.478 -4.656 1.00 0.00 C ATOM 555 C SER A 36 6.079 6.445 -5.677 1.00 0.00 C ATOM 556 O SER A 36 5.319 5.569 -6.089 1.00 0.00 O ATOM 557 CB SER A 36 5.104 8.808 -5.320 1.00 0.00 C ATOM 558 OG SER A 36 3.972 8.638 -6.165 1.00 0.00 O ATOM 0 H SER A 36 6.752 8.794 -3.536 1.00 0.00 H new ATOM 0 HA SER A 36 4.672 6.940 -4.249 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.875 9.543 -4.548 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.936 9.205 -5.902 1.00 0.00 H new ATOM 0 HG SER A 36 4.271 8.451 -7.079 1.00 0.00 H new ATOM 564 N ALA A 37 7.370 6.482 -6.042 1.00 0.00 N ATOM 565 CA ALA A 37 8.014 5.384 -6.811 1.00 0.00 C ATOM 566 C ALA A 37 8.087 3.994 -6.099 1.00 0.00 C ATOM 567 O ALA A 37 7.799 2.984 -6.744 1.00 0.00 O ATOM 568 CB ALA A 37 9.408 5.870 -7.230 1.00 0.00 C ATOM 0 H ALA A 37 7.996 7.257 -5.821 1.00 0.00 H new ATOM 0 HA ALA A 37 7.374 5.180 -7.669 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.911 5.087 -7.798 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.312 6.762 -7.849 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.993 6.106 -6.341 1.00 0.00 H new ATOM 574 N LEU A 38 8.422 3.947 -4.798 1.00 0.00 N ATOM 575 CA LEU A 38 8.354 2.696 -3.987 1.00 0.00 C ATOM 576 C LEU A 38 6.909 2.118 -3.793 1.00 0.00 C ATOM 577 O LEU A 38 6.697 0.925 -4.008 1.00 0.00 O ATOM 578 CB LEU A 38 9.062 2.922 -2.623 1.00 0.00 C ATOM 579 CG LEU A 38 10.577 2.613 -2.568 1.00 0.00 C ATOM 580 CD1 LEU A 38 11.447 3.437 -3.518 1.00 0.00 C ATOM 581 CD2 LEU A 38 11.080 2.851 -1.128 1.00 0.00 C ATOM 0 H LEU A 38 8.745 4.760 -4.274 1.00 0.00 H new ATOM 0 HA LEU A 38 8.877 1.929 -4.558 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.916 3.962 -2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.562 2.308 -1.874 1.00 0.00 H new ATOM 0 HG LEU A 38 10.675 1.576 -2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 38 12.491 3.144 -3.402 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.132 3.259 -4.546 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.339 4.496 -3.284 1.00 0.00 H new ATOM 0 HD21 LEU A 38 12.147 2.637 -1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.904 3.890 -0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.544 2.195 -0.442 1.00 0.00 H new ATOM 593 N LEU A 39 5.930 2.948 -3.430 1.00 0.00 N ATOM 594 CA LEU A 39 4.497 2.545 -3.387 1.00 0.00 C ATOM 595 C LEU A 39 3.835 2.198 -4.775 1.00 0.00 C ATOM 596 O LEU A 39 2.995 1.298 -4.840 1.00 0.00 O ATOM 597 CB LEU A 39 3.728 3.708 -2.714 1.00 0.00 C ATOM 598 CG LEU A 39 4.049 3.968 -1.237 1.00 0.00 C ATOM 599 CD1 LEU A 39 3.446 5.319 -0.822 1.00 0.00 C ATOM 600 CD2 LEU A 39 3.553 2.926 -0.251 1.00 0.00 C ATOM 0 H LEU A 39 6.092 3.917 -3.156 1.00 0.00 H new ATOM 0 HA LEU A 39 4.444 1.608 -2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.929 4.621 -3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.660 3.509 -2.802 1.00 0.00 H new ATOM 0 HG LEU A 39 5.137 3.941 -1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.670 5.511 0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.874 6.112 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.365 5.294 -0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.839 3.217 0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.467 2.853 -0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.996 1.959 -0.489 1.00 0.00 H new ATOM 612 N GLY A 40 4.207 2.916 -5.841 1.00 0.00 N ATOM 613 CA GLY A 40 3.753 2.645 -7.221 1.00 0.00 C ATOM 614 C GLY A 40 2.797 3.705 -7.784 1.00 0.00 C ATOM 615 O GLY A 40 1.601 3.438 -7.946 1.00 0.00 O ATOM 0 H GLY A 40 4.840 3.713 -5.775 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.625 2.575 -7.872 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.258 1.674 -7.245 1.00 0.00 H new ATOM 619 N THR A 41 3.312 4.911 -8.056 1.00 0.00 N ATOM 620 CA THR A 41 2.521 6.074 -8.569 1.00 0.00 C ATOM 621 C THR A 41 3.528 7.192 -9.053 1.00 0.00 C ATOM 622 O THR A 41 4.484 7.474 -8.318 1.00 0.00 O ATOM 623 CB THR A 41 1.549 6.626 -7.484 1.00 0.00 C ATOM 624 OG1 THR A 41 0.611 5.613 -7.126 1.00 0.00 O ATOM 625 CG2 THR A 41 0.704 7.821 -7.898 1.00 0.00 C ATOM 0 H THR A 41 4.301 5.125 -7.930 1.00 0.00 H new ATOM 0 HA THR A 41 1.903 5.749 -9.406 1.00 0.00 H new ATOM 0 HB THR A 41 2.211 6.940 -6.677 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.721 4.841 -7.719 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.066 8.121 -7.067 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.356 8.650 -8.172 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.084 7.550 -8.752 1.00 0.00 H new ATOM 633 N PRO A 42 3.350 7.889 -10.207 1.00 0.00 N ATOM 634 CA PRO A 42 4.278 8.994 -10.634 1.00 0.00 C ATOM 635 C PRO A 42 4.209 10.315 -9.808 1.00 0.00 C ATOM 636 O PRO A 42 3.327 10.526 -8.971 1.00 0.00 O ATOM 637 CB PRO A 42 3.875 9.174 -12.127 1.00 0.00 C ATOM 638 CG PRO A 42 2.380 8.791 -12.173 1.00 0.00 C ATOM 639 CD PRO A 42 2.286 7.611 -11.195 1.00 0.00 C ATOM 0 HA PRO A 42 5.324 8.734 -10.469 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.032 10.200 -12.460 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.469 8.533 -12.778 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.743 9.620 -11.865 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.069 8.506 -13.178 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.305 7.559 -10.723 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.447 6.659 -11.700 1.00 0.00 H new ATOM 647 N SER A 43 5.183 11.199 -10.055 1.00 0.00 N ATOM 648 CA SER A 43 5.372 12.455 -9.299 1.00 0.00 C ATOM 649 C SER A 43 4.385 13.608 -9.673 1.00 0.00 C ATOM 650 O SER A 43 3.653 13.571 -10.665 1.00 0.00 O ATOM 651 CB SER A 43 6.849 12.893 -9.579 1.00 0.00 C ATOM 652 OG SER A 43 7.787 11.943 -9.081 1.00 0.00 O ATOM 0 H SER A 43 5.874 11.066 -10.794 1.00 0.00 H new ATOM 0 HA SER A 43 5.164 12.265 -8.246 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.994 13.018 -10.652 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.034 13.863 -9.117 1.00 0.00 H new ATOM 0 HG SER A 43 8.617 12.001 -9.598 1.00 0.00 H new ATOM 658 N ILE A 44 4.454 14.666 -8.856 1.00 0.00 N ATOM 659 CA ILE A 44 3.827 15.986 -9.168 1.00 0.00 C ATOM 660 C ILE A 44 5.029 16.991 -9.390 1.00 0.00 C ATOM 661 O ILE A 44 5.523 17.554 -8.399 1.00 0.00 O ATOM 662 CB ILE A 44 2.810 16.430 -8.057 1.00 0.00 C ATOM 663 CG1 ILE A 44 1.643 15.411 -7.884 1.00 0.00 C ATOM 664 CG2 ILE A 44 2.199 17.816 -8.385 1.00 0.00 C ATOM 665 CD1 ILE A 44 0.806 15.612 -6.620 1.00 0.00 C ATOM 0 H ILE A 44 4.941 14.647 -7.960 1.00 0.00 H new ATOM 0 HA ILE A 44 3.211 15.946 -10.067 1.00 0.00 H new ATOM 0 HB ILE A 44 3.379 16.478 -7.129 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.988 15.478 -8.753 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.057 14.403 -7.874 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.498 18.100 -7.600 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.994 18.559 -8.447 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.674 17.766 -9.339 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.018 14.860 -6.582 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.444 15.514 -5.742 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.358 16.606 -6.634 1.00 0.00 H new ATOM 677 N PRO A 45 5.549 17.222 -10.633 1.00 0.00 N ATOM 678 CA PRO A 45 6.843 17.964 -10.837 1.00 0.00 C ATOM 679 C PRO A 45 6.758 19.506 -11.022 1.00 0.00 C ATOM 680 O PRO A 45 7.345 20.077 -11.944 1.00 0.00 O ATOM 681 CB PRO A 45 7.419 17.210 -12.070 1.00 0.00 C ATOM 682 CG PRO A 45 6.165 16.891 -12.918 1.00 0.00 C ATOM 683 CD PRO A 45 5.138 16.478 -11.851 1.00 0.00 C ATOM 0 HA PRO A 45 7.469 17.948 -9.945 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.130 17.826 -12.621 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.945 16.302 -11.775 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.831 17.757 -13.489 1.00 0.00 H new ATOM 0 HG3 PRO A 45 6.352 16.090 -13.633 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.124 16.740 -12.153 1.00 0.00 H new ATOM 0 HD3 PRO A 45 5.152 15.401 -11.682 1.00 0.00 H new ATOM 691 N ASP A 46 6.116 20.174 -10.061 1.00 0.00 N ATOM 692 CA ASP A 46 6.013 21.651 -10.017 1.00 0.00 C ATOM 693 C ASP A 46 6.993 22.245 -8.947 1.00 0.00 C ATOM 694 O ASP A 46 6.920 21.838 -7.780 1.00 0.00 O ATOM 695 CB ASP A 46 4.532 22.041 -9.791 1.00 0.00 C ATOM 696 CG ASP A 46 4.264 23.544 -9.691 1.00 0.00 C ATOM 697 OD1 ASP A 46 4.946 24.338 -10.374 1.00 0.00 O ATOM 698 OD2 ASP A 46 3.404 23.947 -8.881 1.00 0.00 O ATOM 0 H ASP A 46 5.647 19.711 -9.283 1.00 0.00 H new ATOM 0 HA ASP A 46 6.325 22.086 -10.966 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.937 21.635 -10.609 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.183 21.564 -8.875 1.00 0.00 H new ATOM 703 N PRO A 47 7.893 23.207 -9.263 1.00 0.00 N ATOM 704 CA PRO A 47 8.549 24.066 -8.227 1.00 0.00 C ATOM 705 C PRO A 47 7.711 25.208 -7.575 1.00 0.00 C ATOM 706 O PRO A 47 8.176 25.752 -6.572 1.00 0.00 O ATOM 707 CB PRO A 47 9.763 24.606 -9.031 1.00 0.00 C ATOM 708 CG PRO A 47 9.227 24.766 -10.474 1.00 0.00 C ATOM 709 CD PRO A 47 8.250 23.591 -10.646 1.00 0.00 C ATOM 0 HA PRO A 47 8.769 23.491 -7.328 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.114 25.557 -8.630 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.604 23.914 -8.994 1.00 0.00 H new ATOM 0 HG2 PRO A 47 8.725 25.724 -10.608 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.034 24.723 -11.206 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.370 23.886 -11.217 1.00 0.00 H new ATOM 0 HD3 PRO A 47 8.714 22.763 -11.182 1.00 0.00 H new ATOM 717 N PHE A 48 6.528 25.580 -8.101 1.00 0.00 N ATOM 718 CA PHE A 48 5.669 26.630 -7.491 1.00 0.00 C ATOM 719 C PHE A 48 4.866 26.115 -6.263 1.00 0.00 C ATOM 720 O PHE A 48 5.160 26.546 -5.145 1.00 0.00 O ATOM 721 CB PHE A 48 4.824 27.251 -8.632 1.00 0.00 C ATOM 722 CG PHE A 48 4.002 28.482 -8.227 1.00 0.00 C ATOM 723 CD1 PHE A 48 4.590 29.756 -8.171 1.00 0.00 C ATOM 724 CD2 PHE A 48 2.644 28.351 -7.892 1.00 0.00 C ATOM 725 CE1 PHE A 48 3.840 30.869 -7.784 1.00 0.00 C ATOM 726 CE2 PHE A 48 1.896 29.463 -7.504 1.00 0.00 C ATOM 727 CZ PHE A 48 2.495 30.720 -7.451 1.00 0.00 C ATOM 0 H PHE A 48 6.139 25.171 -8.950 1.00 0.00 H new ATOM 0 HA PHE A 48 6.272 27.422 -7.047 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.490 27.529 -9.449 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.146 26.490 -9.019 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.632 29.876 -8.430 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.174 27.380 -7.935 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.302 31.844 -7.743 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.854 29.350 -7.245 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.916 31.581 -7.151 1.00 0.00 H new ATOM 737 N HIS A 49 3.863 25.236 -6.441 1.00 0.00 N ATOM 738 CA HIS A 49 3.095 24.665 -5.299 1.00 0.00 C ATOM 739 C HIS A 49 2.626 23.226 -5.648 1.00 0.00 C ATOM 740 O HIS A 49 1.451 22.982 -5.945 1.00 0.00 O ATOM 741 CB HIS A 49 1.954 25.642 -4.930 1.00 0.00 C ATOM 742 CG HIS A 49 1.279 25.451 -3.553 1.00 0.00 C ATOM 743 ND1 HIS A 49 0.435 26.422 -3.052 1.00 0.00 N ATOM 744 CD2 HIS A 49 1.375 24.392 -2.606 1.00 0.00 C ATOM 745 CE1 HIS A 49 0.120 25.886 -1.834 1.00 0.00 C ATOM 746 NE2 HIS A 49 0.611 24.658 -1.482 1.00 0.00 N ATOM 0 H HIS A 49 3.560 24.902 -7.356 1.00 0.00 H new ATOM 0 HA HIS A 49 3.715 24.560 -4.409 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.350 26.656 -4.974 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.184 25.567 -5.697 1.00 0.00 H new ATOM 0 HD2 HIS A 49 1.966 23.499 -2.746 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -0.515 26.431 -1.151 1.00 0.00 H new ATOM 0 HE2 HIS A 49 0.459 24.103 -0.640 1.00 0.00 H new ATOM 754 N ALA A 50 3.547 22.252 -5.552 1.00 0.00 N ATOM 755 CA ALA A 50 3.228 20.835 -5.810 1.00 0.00 C ATOM 756 C ALA A 50 2.594 20.147 -4.574 1.00 0.00 C ATOM 757 O ALA A 50 3.281 19.651 -3.675 1.00 0.00 O ATOM 758 CB ALA A 50 4.531 20.173 -6.251 1.00 0.00 C ATOM 0 H ALA A 50 4.520 22.419 -5.297 1.00 0.00 H new ATOM 0 HA ALA A 50 2.473 20.740 -6.591 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.352 19.118 -6.456 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.899 20.660 -7.154 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.274 20.268 -5.459 1.00 0.00 H new ATOM 764 N GLN A 51 1.261 20.107 -4.577 1.00 0.00 N ATOM 765 CA GLN A 51 0.464 19.724 -3.386 1.00 0.00 C ATOM 766 C GLN A 51 0.398 18.172 -3.121 1.00 0.00 C ATOM 767 O GLN A 51 1.175 17.370 -3.655 1.00 0.00 O ATOM 768 CB GLN A 51 -0.939 20.384 -3.598 1.00 0.00 C ATOM 769 CG GLN A 51 -0.964 21.913 -3.412 1.00 0.00 C ATOM 770 CD GLN A 51 -2.354 22.536 -3.488 1.00 0.00 C ATOM 771 OE1 GLN A 51 -3.401 21.888 -3.439 1.00 0.00 O ATOM 772 NE2 GLN A 51 -2.398 23.841 -3.576 1.00 0.00 N ATOM 0 H GLN A 51 0.696 20.336 -5.395 1.00 0.00 H new ATOM 0 HA GLN A 51 0.939 20.085 -2.474 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.289 20.148 -4.603 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.646 19.935 -2.901 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.523 22.156 -2.445 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.333 22.370 -4.174 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.532 24.379 -3.617 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.298 24.320 -3.604 1.00 0.00 H new ATOM 781 N ARG A 52 -0.534 17.797 -2.238 1.00 0.00 N ATOM 782 CA ARG A 52 -0.953 16.409 -1.958 1.00 0.00 C ATOM 783 C ARG A 52 -1.172 15.436 -3.159 1.00 0.00 C ATOM 784 O ARG A 52 -1.568 15.830 -4.259 1.00 0.00 O ATOM 785 CB ARG A 52 -2.226 16.512 -1.050 1.00 0.00 C ATOM 786 CG ARG A 52 -3.605 16.670 -1.707 1.00 0.00 C ATOM 787 CD ARG A 52 -3.851 17.937 -2.540 1.00 0.00 C ATOM 788 NE ARG A 52 -5.112 17.702 -3.270 1.00 0.00 N ATOM 789 CZ ARG A 52 -5.943 18.600 -3.755 1.00 0.00 C ATOM 790 NH1 ARG A 52 -5.728 19.892 -3.741 1.00 0.00 N ATOM 791 NH2 ARG A 52 -7.041 18.145 -4.285 1.00 0.00 N ATOM 0 H ARG A 52 -1.042 18.477 -1.672 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.104 15.924 -1.476 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.259 15.617 -0.429 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.083 17.360 -0.380 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.772 15.806 -2.351 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.359 16.632 -0.921 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.928 18.816 -1.900 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.027 18.116 -3.231 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.371 16.726 -3.416 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.869 20.262 -3.334 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.420 20.528 -4.137 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.218 17.141 -4.308 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.724 18.793 -4.678 1.00 0.00 H new ATOM 805 N TRP A 53 -0.984 14.148 -2.876 1.00 0.00 N ATOM 806 CA TRP A 53 -1.471 13.037 -3.741 1.00 0.00 C ATOM 807 C TRP A 53 -2.784 12.505 -3.111 1.00 0.00 C ATOM 808 O TRP A 53 -2.742 11.776 -2.121 1.00 0.00 O ATOM 809 CB TRP A 53 -0.298 12.046 -3.804 1.00 0.00 C ATOM 810 CG TRP A 53 -0.486 10.560 -4.213 1.00 0.00 C ATOM 811 CD1 TRP A 53 -1.614 9.899 -4.781 1.00 0.00 C ATOM 812 CD2 TRP A 53 0.417 9.534 -3.943 1.00 0.00 C ATOM 813 NE1 TRP A 53 -1.445 8.507 -4.839 1.00 0.00 N ATOM 814 CE2 TRP A 53 -0.183 8.301 -4.315 1.00 0.00 C ATOM 815 CE3 TRP A 53 1.713 9.543 -3.323 1.00 0.00 C ATOM 816 CZ2 TRP A 53 0.510 7.080 -4.081 1.00 0.00 C ATOM 817 CZ3 TRP A 53 2.351 8.336 -3.088 1.00 0.00 C ATOM 818 CH2 TRP A 53 1.759 7.119 -3.468 1.00 0.00 C ATOM 0 H TRP A 53 -0.491 13.829 -2.042 1.00 0.00 H new ATOM 0 HA TRP A 53 -1.734 13.299 -4.766 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.432 12.470 -4.493 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.161 12.042 -2.816 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -2.499 10.412 -5.128 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.102 7.809 -5.187 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.182 10.475 -3.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 0.073 6.137 -4.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 3.317 8.330 -2.606 1.00 0.00 H new ATOM 0 HH2 TRP A 53 2.285 6.194 -3.280 1.00 0.00 H new ATOM 829 N ASP A 54 -3.925 12.864 -3.704 1.00 0.00 N ATOM 830 CA ASP A 54 -5.274 12.398 -3.278 1.00 0.00 C ATOM 831 C ASP A 54 -5.967 11.493 -4.348 1.00 0.00 C ATOM 832 O ASP A 54 -7.071 11.789 -4.812 1.00 0.00 O ATOM 833 CB ASP A 54 -6.086 13.646 -2.842 1.00 0.00 C ATOM 834 CG ASP A 54 -6.293 14.821 -3.800 1.00 0.00 C ATOM 835 OD1 ASP A 54 -5.332 15.255 -4.474 1.00 0.00 O ATOM 836 OD2 ASP A 54 -7.368 15.453 -3.784 1.00 0.00 O ATOM 0 H ASP A 54 -3.953 13.494 -4.505 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.198 11.729 -2.421 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.075 13.297 -2.545 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.607 14.043 -1.947 1.00 0.00 H new ATOM 841 N TYR A 55 -5.309 10.383 -4.756 1.00 0.00 N ATOM 842 CA TYR A 55 -5.636 9.701 -6.038 1.00 0.00 C ATOM 843 C TYR A 55 -5.573 8.144 -5.904 1.00 0.00 C ATOM 844 O TYR A 55 -4.631 7.579 -5.335 1.00 0.00 O ATOM 845 CB TYR A 55 -4.666 10.139 -7.191 1.00 0.00 C ATOM 846 CG TYR A 55 -4.590 11.652 -7.462 1.00 0.00 C ATOM 847 CD1 TYR A 55 -5.755 12.389 -7.739 1.00 0.00 C ATOM 848 CD2 TYR A 55 -3.400 12.351 -7.206 1.00 0.00 C ATOM 849 CE1 TYR A 55 -5.759 13.778 -7.615 1.00 0.00 C ATOM 850 CE2 TYR A 55 -3.403 13.743 -7.102 1.00 0.00 C ATOM 851 CZ TYR A 55 -4.591 14.450 -7.267 1.00 0.00 C ATOM 852 OH TYR A 55 -4.685 15.707 -6.756 1.00 0.00 O ATOM 0 H TYR A 55 -4.557 9.942 -4.226 1.00 0.00 H new ATOM 0 HA TYR A 55 -6.655 10.001 -6.284 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.664 9.780 -6.954 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.974 9.639 -8.109 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.653 11.876 -8.050 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.474 11.807 -7.089 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -6.669 14.333 -7.789 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -2.484 14.271 -6.894 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.456 15.691 -5.803 1.00 0.00 H new ATOM 862 N THR A 56 -6.559 7.469 -6.510 1.00 0.00 N ATOM 863 CA THR A 56 -6.635 5.985 -6.545 1.00 0.00 C ATOM 864 C THR A 56 -5.845 5.453 -7.785 1.00 0.00 C ATOM 865 O THR A 56 -6.327 5.561 -8.917 1.00 0.00 O ATOM 866 CB THR A 56 -8.148 5.566 -6.604 1.00 0.00 C ATOM 867 OG1 THR A 56 -8.987 6.327 -5.734 1.00 0.00 O ATOM 868 CG2 THR A 56 -8.383 4.106 -6.239 1.00 0.00 C ATOM 0 H THR A 56 -7.331 7.928 -6.993 1.00 0.00 H new ATOM 0 HA THR A 56 -6.185 5.552 -5.652 1.00 0.00 H new ATOM 0 HB THR A 56 -8.408 5.753 -7.646 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.671 6.234 -4.811 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.448 3.883 -6.300 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.838 3.465 -6.932 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.031 3.924 -5.223 1.00 0.00 H new ATOM 876 N SER A 57 -4.629 4.917 -7.590 1.00 0.00 N ATOM 877 CA SER A 57 -3.763 4.481 -8.720 1.00 0.00 C ATOM 878 C SER A 57 -3.841 2.962 -8.989 1.00 0.00 C ATOM 879 O SER A 57 -3.205 2.135 -8.331 1.00 0.00 O ATOM 880 CB SER A 57 -2.331 4.999 -8.485 1.00 0.00 C ATOM 881 OG SER A 57 -1.690 4.483 -7.318 1.00 0.00 O ATOM 0 H SER A 57 -4.217 4.772 -6.668 1.00 0.00 H new ATOM 0 HA SER A 57 -4.135 4.925 -9.643 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.723 4.752 -9.355 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.360 6.086 -8.415 1.00 0.00 H new ATOM 0 HG SER A 57 -1.022 5.126 -7.000 1.00 0.00 H new ATOM 887 N THR A 58 -4.695 2.607 -9.954 1.00 0.00 N ATOM 888 CA THR A 58 -5.575 1.408 -9.803 1.00 0.00 C ATOM 889 C THR A 58 -5.750 0.513 -11.061 1.00 0.00 C ATOM 890 O THR A 58 -5.265 0.787 -12.162 1.00 0.00 O ATOM 891 CB THR A 58 -6.910 1.891 -9.152 1.00 0.00 C ATOM 892 OG1 THR A 58 -7.741 0.793 -8.813 1.00 0.00 O ATOM 893 CG2 THR A 58 -7.787 2.822 -9.974 1.00 0.00 C ATOM 0 H THR A 58 -4.807 3.109 -10.835 1.00 0.00 H new ATOM 0 HA THR A 58 -5.072 0.697 -9.147 1.00 0.00 H new ATOM 0 HB THR A 58 -6.542 2.454 -8.294 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.270 0.529 -9.595 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.680 3.079 -9.404 1.00 0.00 H new ATOM 0 HG22 THR A 58 -7.233 3.731 -10.209 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.078 2.325 -10.899 1.00 0.00 H new ATOM 901 N GLN A 59 -6.433 -0.618 -10.821 1.00 0.00 N ATOM 902 CA GLN A 59 -6.703 -1.673 -11.833 1.00 0.00 C ATOM 903 C GLN A 59 -8.034 -2.426 -11.470 1.00 0.00 C ATOM 904 O GLN A 59 -8.676 -2.174 -10.442 1.00 0.00 O ATOM 905 CB GLN A 59 -5.443 -2.574 -11.919 1.00 0.00 C ATOM 906 CG GLN A 59 -5.304 -3.517 -13.131 1.00 0.00 C ATOM 907 CD GLN A 59 -5.330 -2.847 -14.499 1.00 0.00 C ATOM 908 OE1 GLN A 59 -6.385 -2.601 -15.079 1.00 0.00 O ATOM 909 NE2 GLN A 59 -4.192 -2.520 -15.059 1.00 0.00 N ATOM 0 H GLN A 59 -6.823 -0.836 -9.904 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.874 -1.265 -12.829 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -4.567 -1.925 -11.900 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.407 -3.184 -11.016 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.368 -4.067 -13.034 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.110 -4.250 -13.091 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.313 -2.721 -14.583 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.185 -2.064 -15.971 1.00 0.00 H new ATOM 918 N ARG A 60 -8.470 -3.342 -12.346 1.00 0.00 N ATOM 919 CA ARG A 60 -9.772 -4.047 -12.212 1.00 0.00 C ATOM 920 C ARG A 60 -9.723 -5.208 -11.147 1.00 0.00 C ATOM 921 O ARG A 60 -9.618 -6.391 -11.483 1.00 0.00 O ATOM 922 CB ARG A 60 -10.234 -4.588 -13.594 1.00 0.00 C ATOM 923 CG ARG A 60 -10.656 -3.574 -14.677 1.00 0.00 C ATOM 924 CD ARG A 60 -9.489 -2.865 -15.371 1.00 0.00 C ATOM 925 NE ARG A 60 -9.967 -2.050 -16.512 1.00 0.00 N ATOM 926 CZ ARG A 60 -9.185 -1.295 -17.281 1.00 0.00 C ATOM 927 NH1 ARG A 60 -7.886 -1.192 -17.129 1.00 0.00 N ATOM 928 NH2 ARG A 60 -9.740 -0.619 -18.244 1.00 0.00 N ATOM 0 H ARG A 60 -7.938 -3.622 -13.170 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.499 -3.320 -11.850 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.423 -5.191 -14.002 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.075 -5.260 -13.423 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.250 -4.092 -15.430 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -11.302 -2.823 -14.222 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -8.969 -2.227 -14.656 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.768 -3.603 -15.723 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.965 -2.069 -16.723 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.417 -1.709 -16.386 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -7.345 -0.595 -17.754 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -10.747 -0.676 -18.393 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.168 -0.031 -18.850 1.00 0.00 H new ATOM 942 N VAL A 61 -9.821 -4.830 -9.864 1.00 0.00 N ATOM 943 CA VAL A 61 -9.816 -5.794 -8.723 1.00 0.00 C ATOM 944 C VAL A 61 -11.210 -6.401 -8.364 1.00 0.00 C ATOM 945 O VAL A 61 -11.302 -7.613 -8.158 1.00 0.00 O ATOM 946 CB VAL A 61 -9.027 -5.164 -7.526 1.00 0.00 C ATOM 947 CG1 VAL A 61 -9.739 -4.040 -6.760 1.00 0.00 C ATOM 948 CG2 VAL A 61 -8.568 -6.235 -6.516 1.00 0.00 C ATOM 0 H VAL A 61 -9.906 -3.855 -9.575 1.00 0.00 H new ATOM 0 HA VAL A 61 -9.283 -6.691 -9.037 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.174 -4.700 -8.022 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.096 -3.684 -5.956 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -9.958 -3.218 -7.441 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -10.670 -4.420 -6.339 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.024 -5.757 -5.701 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -9.439 -6.755 -6.116 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.916 -6.951 -7.016 1.00 0.00 H new ATOM 958 N ASP A 62 -12.254 -5.568 -8.256 1.00 0.00 N ATOM 959 CA ASP A 62 -13.613 -5.981 -7.793 1.00 0.00 C ATOM 960 C ASP A 62 -14.700 -5.561 -8.846 1.00 0.00 C ATOM 961 O ASP A 62 -14.413 -5.173 -9.983 1.00 0.00 O ATOM 962 CB ASP A 62 -13.677 -5.421 -6.359 1.00 0.00 C ATOM 963 CG ASP A 62 -14.858 -5.698 -5.450 1.00 0.00 C ATOM 964 OD1 ASP A 62 -15.876 -6.298 -5.847 1.00 0.00 O ATOM 965 OD2 ASP A 62 -14.794 -5.251 -4.284 1.00 0.00 O ATOM 0 H ASP A 62 -12.192 -4.576 -8.486 1.00 0.00 H new ATOM 0 HA ASP A 62 -13.820 -7.049 -7.734 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -12.788 -5.778 -5.840 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -13.586 -4.338 -6.438 1.00 0.00 H new ATOM 970 N ARG A 63 -15.972 -5.790 -8.506 1.00 0.00 N ATOM 971 CA ARG A 63 -17.001 -6.233 -9.492 1.00 0.00 C ATOM 972 C ARG A 63 -17.690 -5.092 -10.289 1.00 0.00 C ATOM 973 O ARG A 63 -17.324 -4.883 -11.446 1.00 0.00 O ATOM 974 CB ARG A 63 -17.930 -7.169 -8.681 1.00 0.00 C ATOM 975 CG ARG A 63 -18.975 -7.977 -9.473 1.00 0.00 C ATOM 976 CD ARG A 63 -20.020 -8.649 -8.553 1.00 0.00 C ATOM 977 NE ARG A 63 -19.411 -9.680 -7.676 1.00 0.00 N ATOM 978 CZ ARG A 63 -19.791 -9.957 -6.432 1.00 0.00 C ATOM 979 NH1 ARG A 63 -20.845 -9.459 -5.843 1.00 0.00 N ATOM 980 NH2 ARG A 63 -19.072 -10.795 -5.745 1.00 0.00 N ATOM 0 H ARG A 63 -16.329 -5.680 -7.557 1.00 0.00 H new ATOM 0 HA ARG A 63 -16.558 -6.767 -10.332 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -17.305 -7.872 -8.130 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -18.458 -6.565 -7.943 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -19.484 -7.317 -10.176 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -18.469 -8.741 -10.063 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -20.502 -7.889 -7.938 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -20.799 -9.107 -9.163 1.00 0.00 H new ATOM 0 HE ARG A 63 -18.636 -10.221 -8.059 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -21.447 -8.805 -6.343 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -21.066 -9.725 -4.883 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -18.244 -11.219 -6.163 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -19.336 -11.029 -4.788 1.00 0.00 H new ATOM 994 N LEU A 64 -18.705 -4.400 -9.729 1.00 0.00 N ATOM 995 CA LEU A 64 -19.601 -3.504 -10.523 1.00 0.00 C ATOM 996 C LEU A 64 -18.943 -2.143 -10.876 1.00 0.00 C ATOM 997 O LEU A 64 -18.447 -2.001 -11.995 1.00 0.00 O ATOM 998 CB LEU A 64 -20.944 -3.457 -9.755 1.00 0.00 C ATOM 999 CG LEU A 64 -22.236 -3.138 -10.528 1.00 0.00 C ATOM 1000 CD1 LEU A 64 -22.301 -1.729 -11.109 1.00 0.00 C ATOM 1001 CD2 LEU A 64 -22.538 -4.195 -11.597 1.00 0.00 C ATOM 0 H LEU A 64 -18.931 -4.438 -8.735 1.00 0.00 H new ATOM 0 HA LEU A 64 -19.795 -3.889 -11.524 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -21.080 -4.424 -9.272 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -20.844 -2.716 -8.962 1.00 0.00 H new ATOM 0 HG LEU A 64 -23.022 -3.173 -9.774 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -23.246 -1.596 -11.635 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -22.229 -0.999 -10.303 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -21.475 -1.584 -11.805 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -23.458 -3.932 -12.119 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -21.715 -4.236 -12.310 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -22.656 -5.169 -11.122 1.00 0.00 H new ATOM 1013 N ALA A 65 -18.892 -1.166 -9.955 1.00 0.00 N ATOM 1014 CA ALA A 65 -18.026 0.035 -10.108 1.00 0.00 C ATOM 1015 C ALA A 65 -17.001 0.104 -8.943 1.00 0.00 C ATOM 1016 O ALA A 65 -17.088 0.935 -8.032 1.00 0.00 O ATOM 1017 CB ALA A 65 -18.943 1.253 -10.225 1.00 0.00 C ATOM 0 H ALA A 65 -19.437 -1.176 -9.093 1.00 0.00 H new ATOM 0 HA ALA A 65 -17.419 -0.005 -11.012 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -18.339 2.153 -10.339 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.591 1.138 -11.094 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -19.553 1.337 -9.326 1.00 0.00 H new ATOM 1023 N ARG A 66 -16.026 -0.817 -9.001 1.00 0.00 N ATOM 1024 CA ARG A 66 -15.062 -1.058 -7.891 1.00 0.00 C ATOM 1025 C ARG A 66 -13.632 -1.437 -8.414 1.00 0.00 C ATOM 1026 O ARG A 66 -13.029 -2.434 -8.007 1.00 0.00 O ATOM 1027 CB ARG A 66 -15.689 -2.080 -6.899 1.00 0.00 C ATOM 1028 CG ARG A 66 -15.919 -1.561 -5.466 1.00 0.00 C ATOM 1029 CD ARG A 66 -14.672 -1.319 -4.610 1.00 0.00 C ATOM 1030 NE ARG A 66 -14.082 -2.588 -4.137 1.00 0.00 N ATOM 1031 CZ ARG A 66 -12.941 -2.711 -3.474 1.00 0.00 C ATOM 1032 NH1 ARG A 66 -12.225 -1.722 -3.008 1.00 0.00 N ATOM 1033 NH2 ARG A 66 -12.513 -3.917 -3.264 1.00 0.00 N ATOM 0 H ARG A 66 -15.876 -1.419 -9.811 1.00 0.00 H new ATOM 0 HA ARG A 66 -14.888 -0.135 -7.338 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.645 -2.413 -7.304 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -15.042 -2.956 -6.850 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -16.475 -0.625 -5.529 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -16.556 -2.275 -4.944 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -13.933 -0.768 -5.191 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -14.933 -0.697 -3.754 1.00 0.00 H new ATOM 0 HE ARG A 66 -14.598 -3.445 -4.338 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -12.535 -0.760 -3.144 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.357 -1.912 -2.508 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.049 -4.715 -3.604 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -11.640 -4.068 -2.759 1.00 0.00 H new ATOM 1047 N THR A 67 -13.056 -0.573 -9.267 1.00 0.00 N ATOM 1048 CA THR A 67 -11.674 -0.743 -9.795 1.00 0.00 C ATOM 1049 C THR A 67 -10.701 0.094 -8.905 1.00 0.00 C ATOM 1050 O THR A 67 -10.410 1.260 -9.196 1.00 0.00 O ATOM 1051 CB THR A 67 -11.587 -0.304 -11.291 1.00 0.00 C ATOM 1052 OG1 THR A 67 -11.827 1.097 -11.439 1.00 0.00 O ATOM 1053 CG2 THR A 67 -12.534 -1.029 -12.243 1.00 0.00 C ATOM 0 H THR A 67 -13.526 0.263 -9.614 1.00 0.00 H new ATOM 0 HA THR A 67 -11.392 -1.795 -9.757 1.00 0.00 H new ATOM 0 HB THR A 67 -10.568 -0.574 -11.569 1.00 0.00 H new ATOM 0 HG1 THR A 67 -11.406 1.581 -10.698 1.00 0.00 H new ATOM 0 HG21 THR A 67 -12.393 -0.650 -13.255 1.00 0.00 H new ATOM 0 HG22 THR A 67 -12.322 -2.098 -12.223 1.00 0.00 H new ATOM 0 HG23 THR A 67 -13.564 -0.858 -11.932 1.00 0.00 H new ATOM 1061 N GLU A 68 -10.266 -0.472 -7.775 1.00 0.00 N ATOM 1062 CA GLU A 68 -9.984 0.326 -6.545 1.00 0.00 C ATOM 1063 C GLU A 68 -8.861 -0.337 -5.696 1.00 0.00 C ATOM 1064 O GLU A 68 -9.095 -1.143 -4.790 1.00 0.00 O ATOM 1065 CB GLU A 68 -11.326 0.486 -5.794 1.00 0.00 C ATOM 1066 CG GLU A 68 -11.306 1.458 -4.601 1.00 0.00 C ATOM 1067 CD GLU A 68 -12.686 1.597 -3.985 1.00 0.00 C ATOM 1068 OE1 GLU A 68 -13.018 0.809 -3.079 1.00 0.00 O ATOM 1069 OE2 GLU A 68 -13.474 2.439 -4.456 1.00 0.00 O ATOM 0 H GLU A 68 -10.098 -1.473 -7.672 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.597 1.316 -6.785 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.081 0.825 -6.503 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.641 -0.494 -5.436 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.603 1.100 -3.849 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.951 2.435 -4.930 1.00 0.00 H new ATOM 1076 N ILE A 69 -7.627 0.044 -6.022 1.00 0.00 N ATOM 1077 CA ILE A 69 -6.391 -0.428 -5.357 1.00 0.00 C ATOM 1078 C ILE A 69 -5.352 0.741 -5.342 1.00 0.00 C ATOM 1079 O ILE A 69 -5.234 1.513 -6.296 1.00 0.00 O ATOM 1080 CB ILE A 69 -5.879 -1.758 -6.003 1.00 0.00 C ATOM 1081 CG1 ILE A 69 -4.695 -2.401 -5.243 1.00 0.00 C ATOM 1082 CG2 ILE A 69 -5.464 -1.628 -7.481 1.00 0.00 C ATOM 1083 CD1 ILE A 69 -5.069 -2.924 -3.861 1.00 0.00 C ATOM 0 H ILE A 69 -7.443 0.707 -6.775 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.582 -0.692 -4.317 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.756 -2.401 -5.935 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.296 -3.223 -5.838 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.897 -1.665 -5.140 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.122 -2.595 -7.849 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.318 -1.296 -8.071 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.657 -0.900 -7.570 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.190 -3.361 -3.387 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.440 -2.102 -3.249 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.845 -3.684 -3.957 1.00 0.00 H new ATOM 1095 N LYS A 70 -4.607 0.855 -4.234 1.00 0.00 N ATOM 1096 CA LYS A 70 -3.649 1.971 -3.988 1.00 0.00 C ATOM 1097 C LYS A 70 -4.304 3.400 -3.963 1.00 0.00 C ATOM 1098 O LYS A 70 -3.964 4.273 -4.770 1.00 0.00 O ATOM 1099 CB LYS A 70 -2.387 1.933 -4.903 1.00 0.00 C ATOM 1100 CG LYS A 70 -1.489 0.703 -4.743 1.00 0.00 C ATOM 1101 CD LYS A 70 -0.170 0.778 -5.531 1.00 0.00 C ATOM 1102 CE LYS A 70 -0.227 0.401 -7.020 1.00 0.00 C ATOM 1103 NZ LYS A 70 -0.543 1.559 -7.898 1.00 0.00 N ATOM 0 H LYS A 70 -4.643 0.178 -3.472 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.304 1.783 -2.971 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.712 1.990 -5.942 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.791 2.824 -4.706 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.260 0.569 -3.686 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.041 -0.180 -5.064 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.214 1.795 -5.453 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.554 0.125 -5.043 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.731 -0.024 -7.319 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.979 -0.374 -7.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.387 1.294 -8.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.537 1.834 -7.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.074 2.360 -7.652 1.00 0.00 H new ATOM 1117 N ASN A 71 -5.190 3.648 -2.988 1.00 0.00 N ATOM 1118 CA ASN A 71 -5.644 5.025 -2.661 1.00 0.00 C ATOM 1119 C ASN A 71 -4.831 5.520 -1.434 1.00 0.00 C ATOM 1120 O ASN A 71 -5.181 5.275 -0.279 1.00 0.00 O ATOM 1121 CB ASN A 71 -7.166 5.006 -2.416 1.00 0.00 C ATOM 1122 CG ASN A 71 -7.795 6.388 -2.461 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -8.003 6.944 -3.534 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -8.099 6.999 -1.344 1.00 0.00 N ATOM 0 H ASN A 71 -5.611 2.922 -2.409 1.00 0.00 H new ATOM 0 HA ASN A 71 -5.466 5.722 -3.480 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -7.641 4.373 -3.166 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -7.366 4.554 -1.444 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -8.507 7.933 -1.369 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.928 6.541 -0.449 1.00 0.00 H new ATOM 1131 N PHE A 72 -3.712 6.190 -1.707 1.00 0.00 N ATOM 1132 CA PHE A 72 -2.809 6.691 -0.642 1.00 0.00 C ATOM 1133 C PHE A 72 -2.941 8.227 -0.580 1.00 0.00 C ATOM 1134 O PHE A 72 -2.305 8.944 -1.358 1.00 0.00 O ATOM 1135 CB PHE A 72 -1.410 6.136 -0.978 1.00 0.00 C ATOM 1136 CG PHE A 72 -0.356 6.354 0.107 1.00 0.00 C ATOM 1137 CD1 PHE A 72 -0.287 5.518 1.230 1.00 0.00 C ATOM 1138 CD2 PHE A 72 0.593 7.369 -0.034 1.00 0.00 C ATOM 1139 CE1 PHE A 72 0.692 5.714 2.202 1.00 0.00 C ATOM 1140 CE2 PHE A 72 1.602 7.540 0.915 1.00 0.00 C ATOM 1141 CZ PHE A 72 1.646 6.718 2.037 1.00 0.00 C ATOM 0 H PHE A 72 -3.399 6.404 -2.654 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.049 6.355 0.367 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.496 5.067 -1.172 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.062 6.600 -1.901 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.999 4.714 1.343 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.545 8.029 -0.887 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.712 5.089 3.083 1.00 0.00 H new ATOM 0 HE2 PHE A 72 2.348 8.309 0.779 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.418 6.857 2.779 1.00 0.00 H new ATOM 1151 N THR A 73 -3.804 8.724 0.330 1.00 0.00 N ATOM 1152 CA THR A 73 -4.043 10.187 0.473 1.00 0.00 C ATOM 1153 C THR A 73 -2.946 10.794 1.383 1.00 0.00 C ATOM 1154 O THR A 73 -2.970 10.647 2.609 1.00 0.00 O ATOM 1155 CB THR A 73 -5.482 10.466 0.978 1.00 0.00 C ATOM 1156 OG1 THR A 73 -6.417 9.844 0.100 1.00 0.00 O ATOM 1157 CG2 THR A 73 -5.840 11.955 0.983 1.00 0.00 C ATOM 0 H THR A 73 -4.345 8.146 0.973 1.00 0.00 H new ATOM 0 HA THR A 73 -3.972 10.675 -0.499 1.00 0.00 H new ATOM 0 HB THR A 73 -5.524 10.080 1.996 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.328 10.017 0.417 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.860 12.083 1.347 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.152 12.492 1.635 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.764 12.351 -0.030 1.00 0.00 H new ATOM 1165 N VAL A 74 -1.970 11.439 0.742 1.00 0.00 N ATOM 1166 CA VAL A 74 -0.739 11.930 1.411 1.00 0.00 C ATOM 1167 C VAL A 74 -0.504 13.421 1.063 1.00 0.00 C ATOM 1168 O VAL A 74 -0.505 13.823 -0.103 1.00 0.00 O ATOM 1169 CB VAL A 74 0.477 11.003 1.116 1.00 0.00 C ATOM 1170 CG1 VAL A 74 0.808 10.813 -0.363 1.00 0.00 C ATOM 1171 CG2 VAL A 74 1.770 11.486 1.810 1.00 0.00 C ATOM 0 H VAL A 74 -2.000 11.642 -0.257 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.868 11.884 2.492 1.00 0.00 H new ATOM 0 HB VAL A 74 0.144 10.046 1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.669 10.152 -0.461 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.048 10.372 -0.874 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.040 11.779 -0.811 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.587 10.805 1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.019 12.488 1.459 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.618 11.507 2.889 1.00 0.00 H new ATOM 1181 N PHE A 75 -0.260 14.221 2.100 1.00 0.00 N ATOM 1182 CA PHE A 75 -0.103 15.685 1.981 1.00 0.00 C ATOM 1183 C PHE A 75 1.390 16.074 1.818 1.00 0.00 C ATOM 1184 O PHE A 75 2.272 15.568 2.520 1.00 0.00 O ATOM 1185 CB PHE A 75 -0.771 16.359 3.211 1.00 0.00 C ATOM 1186 CG PHE A 75 -2.315 16.317 3.142 1.00 0.00 C ATOM 1187 CD1 PHE A 75 -3.031 15.218 3.649 1.00 0.00 C ATOM 1188 CD2 PHE A 75 -3.025 17.338 2.492 1.00 0.00 C ATOM 1189 CE1 PHE A 75 -4.415 15.136 3.495 1.00 0.00 C ATOM 1190 CE2 PHE A 75 -4.410 17.255 2.336 1.00 0.00 C ATOM 1191 CZ PHE A 75 -5.102 16.154 2.837 1.00 0.00 C ATOM 0 H PHE A 75 -0.164 13.878 3.056 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.603 16.044 1.081 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.437 15.860 4.121 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.441 17.396 3.277 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.503 14.428 4.163 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.495 18.197 2.108 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.953 14.285 3.885 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.945 18.044 1.827 1.00 0.00 H new ATOM 0 HZ PHE A 75 -6.173 16.090 2.715 1.00 0.00 H new ATOM 1201 N PHE A 76 1.650 16.978 0.872 1.00 0.00 N ATOM 1202 CA PHE A 76 3.008 17.477 0.564 1.00 0.00 C ATOM 1203 C PHE A 76 2.937 19.037 0.361 1.00 0.00 C ATOM 1204 O PHE A 76 1.966 19.544 -0.215 1.00 0.00 O ATOM 1205 CB PHE A 76 3.557 16.868 -0.755 1.00 0.00 C ATOM 1206 CG PHE A 76 3.610 15.340 -0.881 1.00 0.00 C ATOM 1207 CD1 PHE A 76 4.554 14.562 -0.187 1.00 0.00 C ATOM 1208 CD2 PHE A 76 2.742 14.698 -1.773 1.00 0.00 C ATOM 1209 CE1 PHE A 76 4.614 13.176 -0.376 1.00 0.00 C ATOM 1210 CE2 PHE A 76 2.844 13.328 -2.006 1.00 0.00 C ATOM 1211 CZ PHE A 76 3.768 12.566 -1.297 1.00 0.00 C ATOM 0 H PHE A 76 0.924 17.393 0.288 1.00 0.00 H new ATOM 0 HA PHE A 76 3.662 17.197 1.390 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.949 17.249 -1.576 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.567 17.250 -0.903 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.239 15.038 0.498 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.985 15.272 -2.286 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.315 12.582 0.192 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.205 12.857 -2.738 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.828 11.500 -1.462 1.00 0.00 H new ATOM 1221 N GLU A 77 3.985 19.769 0.765 1.00 0.00 N ATOM 1222 CA GLU A 77 4.105 21.229 0.421 1.00 0.00 C ATOM 1223 C GLU A 77 4.621 21.450 -1.034 1.00 0.00 C ATOM 1224 O GLU A 77 3.872 21.946 -1.879 1.00 0.00 O ATOM 1225 CB GLU A 77 4.887 21.910 1.563 1.00 0.00 C ATOM 1226 CG GLU A 77 5.069 23.436 1.483 1.00 0.00 C ATOM 1227 CD GLU A 77 6.189 23.941 0.587 1.00 0.00 C ATOM 1228 OE1 GLU A 77 7.374 23.687 0.889 1.00 0.00 O ATOM 1229 OE2 GLU A 77 5.891 24.607 -0.425 1.00 0.00 O ATOM 0 H GLU A 77 4.758 19.401 1.320 1.00 0.00 H new ATOM 0 HA GLU A 77 3.135 21.724 0.375 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.383 21.679 2.501 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.876 21.455 1.613 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.132 23.873 1.137 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.243 23.812 2.491 1.00 0.00 H new ATOM 1236 N ASN A 78 5.868 21.049 -1.316 1.00 0.00 N ATOM 1237 CA ASN A 78 6.470 21.129 -2.675 1.00 0.00 C ATOM 1238 C ASN A 78 7.316 19.856 -3.020 1.00 0.00 C ATOM 1239 O ASN A 78 7.085 19.233 -4.063 1.00 0.00 O ATOM 1240 CB ASN A 78 7.284 22.436 -2.853 1.00 0.00 C ATOM 1241 CG ASN A 78 6.571 23.482 -3.700 1.00 0.00 C ATOM 1242 OD1 ASN A 78 6.306 23.266 -4.880 1.00 0.00 O ATOM 1243 ND2 ASN A 78 6.253 24.628 -3.156 1.00 0.00 N ATOM 0 H ASN A 78 6.497 20.658 -0.615 1.00 0.00 H new ATOM 0 HA ASN A 78 5.650 21.157 -3.392 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.498 22.859 -1.871 1.00 0.00 H new ATOM 0 HB3 ASN A 78 8.243 22.198 -3.314 1.00 0.00 H new ATOM 0 HD21 ASN A 78 5.784 25.344 -3.712 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.474 24.806 -2.176 1.00 0.00 H new ATOM 1250 N GLU A 79 8.283 19.495 -2.166 1.00 0.00 N ATOM 1251 CA GLU A 79 8.924 18.149 -2.172 1.00 0.00 C ATOM 1252 C GLU A 79 8.574 17.239 -0.942 1.00 0.00 C ATOM 1253 O GLU A 79 8.620 16.015 -1.056 1.00 0.00 O ATOM 1254 CB GLU A 79 10.438 18.313 -2.452 1.00 0.00 C ATOM 1255 CG GLU A 79 11.408 18.530 -1.282 1.00 0.00 C ATOM 1256 CD GLU A 79 11.805 17.302 -0.476 1.00 0.00 C ATOM 1257 OE1 GLU A 79 11.692 16.163 -0.978 1.00 0.00 O ATOM 1258 OE2 GLU A 79 12.253 17.473 0.675 1.00 0.00 O ATOM 0 H GLU A 79 8.651 20.118 -1.448 1.00 0.00 H new ATOM 0 HA GLU A 79 8.487 17.572 -2.988 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.768 17.423 -2.988 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.554 19.157 -3.132 1.00 0.00 H new ATOM 0 HG2 GLU A 79 12.317 18.985 -1.676 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.960 19.252 -0.600 1.00 0.00 H new ATOM 1265 N GLN A 80 8.277 17.815 0.225 1.00 0.00 N ATOM 1266 CA GLN A 80 8.450 17.173 1.546 1.00 0.00 C ATOM 1267 C GLN A 80 7.108 16.720 2.169 1.00 0.00 C ATOM 1268 O GLN A 80 6.061 17.340 1.947 1.00 0.00 O ATOM 1269 CB GLN A 80 9.235 18.167 2.445 1.00 0.00 C ATOM 1270 CG GLN A 80 8.578 19.485 2.903 1.00 0.00 C ATOM 1271 CD GLN A 80 8.498 20.629 1.898 1.00 0.00 C ATOM 1272 OE1 GLN A 80 8.035 20.499 0.766 1.00 0.00 O ATOM 1273 NE2 GLN A 80 8.848 21.828 2.292 1.00 0.00 N ATOM 0 H GLN A 80 7.901 18.761 0.288 1.00 0.00 H new ATOM 0 HA GLN A 80 9.017 16.248 1.442 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.532 17.625 3.343 1.00 0.00 H new ATOM 0 HB3 GLN A 80 10.150 18.430 1.914 1.00 0.00 H new ATOM 0 HG2 GLN A 80 7.564 19.257 3.231 1.00 0.00 H new ATOM 0 HG3 GLN A 80 9.123 19.844 3.776 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.235 21.965 3.226 1.00 0.00 H new ATOM 0 HE22 GLN A 80 8.734 22.624 1.665 1.00 0.00 H new ATOM 1282 N VAL A 81 7.129 15.629 2.950 1.00 0.00 N ATOM 1283 CA VAL A 81 5.876 14.939 3.370 1.00 0.00 C ATOM 1284 C VAL A 81 5.321 15.517 4.712 1.00 0.00 C ATOM 1285 O VAL A 81 6.043 15.664 5.702 1.00 0.00 O ATOM 1286 CB VAL A 81 6.015 13.378 3.477 1.00 0.00 C ATOM 1287 CG1 VAL A 81 4.632 12.713 3.312 1.00 0.00 C ATOM 1288 CG2 VAL A 81 6.996 12.708 2.505 1.00 0.00 C ATOM 0 H VAL A 81 7.984 15.201 3.306 1.00 0.00 H new ATOM 0 HA VAL A 81 5.164 15.139 2.570 1.00 0.00 H new ATOM 0 HB VAL A 81 6.439 13.223 4.469 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.737 11.631 3.387 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.962 13.068 4.095 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.219 12.970 2.337 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.002 11.632 2.678 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.686 12.909 1.479 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.997 13.107 2.666 1.00 0.00 H new ATOM 1298 N VAL A 82 4.016 15.797 4.713 1.00 0.00 N ATOM 1299 CA VAL A 82 3.301 16.419 5.863 1.00 0.00 C ATOM 1300 C VAL A 82 2.607 15.287 6.686 1.00 0.00 C ATOM 1301 O VAL A 82 3.056 15.013 7.800 1.00 0.00 O ATOM 1302 CB VAL A 82 2.388 17.565 5.319 1.00 0.00 C ATOM 1303 CG1 VAL A 82 1.476 18.200 6.384 1.00 0.00 C ATOM 1304 CG2 VAL A 82 3.218 18.714 4.677 1.00 0.00 C ATOM 0 H VAL A 82 3.409 15.603 3.917 1.00 0.00 H new ATOM 0 HA VAL A 82 3.961 16.911 6.577 1.00 0.00 H new ATOM 0 HB VAL A 82 1.765 17.069 4.575 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.875 18.986 5.927 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.819 17.437 6.802 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.087 18.627 7.179 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.544 19.489 4.312 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.890 19.139 5.423 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.802 18.320 3.845 1.00 0.00 H new ATOM 1314 N ARG A 83 1.566 14.611 6.149 1.00 0.00 N ATOM 1315 CA ARG A 83 1.040 13.340 6.734 1.00 0.00 C ATOM 1316 C ARG A 83 0.286 12.469 5.676 1.00 0.00 C ATOM 1317 O ARG A 83 -0.226 12.984 4.678 1.00 0.00 O ATOM 1318 CB ARG A 83 0.243 13.553 8.045 1.00 0.00 C ATOM 1319 CG ARG A 83 -1.104 14.290 8.036 1.00 0.00 C ATOM 1320 CD ARG A 83 -2.316 13.612 7.381 1.00 0.00 C ATOM 1321 NE ARG A 83 -2.537 12.199 7.789 1.00 0.00 N ATOM 1322 CZ ARG A 83 -3.239 11.777 8.831 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -3.875 12.571 9.652 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -3.288 10.495 9.043 1.00 0.00 N ATOM 0 H ARG A 83 1.069 14.918 5.313 1.00 0.00 H new ATOM 0 HA ARG A 83 1.911 12.758 7.033 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.066 12.567 8.476 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.896 14.089 8.733 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.368 14.508 9.071 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.953 15.247 7.537 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.210 14.188 7.620 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.193 13.648 6.299 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.104 11.481 7.208 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.848 13.580 9.508 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -4.398 12.181 10.436 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.797 9.856 8.418 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -3.817 10.129 9.834 1.00 0.00 H new ATOM 1338 N TRP A 84 0.176 11.155 5.935 1.00 0.00 N ATOM 1339 CA TRP A 84 -0.580 10.204 5.074 1.00 0.00 C ATOM 1340 C TRP A 84 -1.720 9.450 5.820 1.00 0.00 C ATOM 1341 O TRP A 84 -1.696 9.259 7.041 1.00 0.00 O ATOM 1342 CB TRP A 84 0.365 9.212 4.350 1.00 0.00 C ATOM 1343 CG TRP A 84 1.332 8.361 5.206 1.00 0.00 C ATOM 1344 CD1 TRP A 84 1.170 7.020 5.643 1.00 0.00 C ATOM 1345 CD2 TRP A 84 2.600 8.733 5.642 1.00 0.00 C ATOM 1346 NE1 TRP A 84 2.271 6.594 6.399 1.00 0.00 N ATOM 1347 CE2 TRP A 84 3.141 7.660 6.385 1.00 0.00 C ATOM 1348 CE3 TRP A 84 3.388 9.903 5.397 1.00 0.00 C ATOM 1349 CZ2 TRP A 84 4.456 7.756 6.921 1.00 0.00 C ATOM 1350 CZ3 TRP A 84 4.667 9.976 5.930 1.00 0.00 C ATOM 1351 CH2 TRP A 84 5.190 8.919 6.695 1.00 0.00 C ATOM 0 H TRP A 84 0.607 10.713 6.747 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.071 10.823 4.323 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.254 8.528 3.769 1.00 0.00 H new ATOM 0 HB3 TRP A 84 0.964 9.782 3.640 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.309 6.407 5.421 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.399 5.692 6.858 1.00 0.00 H new ATOM 0 HE3 TRP A 84 2.993 10.716 4.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.877 6.942 7.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.268 10.856 5.755 1.00 0.00 H new ATOM 0 HH2 TRP A 84 6.180 9.010 7.116 1.00 0.00 H new ATOM 1362 N GLU A 85 -2.708 8.995 5.043 1.00 0.00 N ATOM 1363 CA GLU A 85 -3.434 7.732 5.351 1.00 0.00 C ATOM 1364 C GLU A 85 -3.460 6.844 4.058 1.00 0.00 C ATOM 1365 O GLU A 85 -3.633 7.325 2.931 1.00 0.00 O ATOM 1366 CB GLU A 85 -4.844 7.990 5.926 1.00 0.00 C ATOM 1367 CG GLU A 85 -5.203 7.139 7.166 1.00 0.00 C ATOM 1368 CD GLU A 85 -5.350 5.638 6.996 1.00 0.00 C ATOM 1369 OE1 GLU A 85 -4.338 4.939 6.781 1.00 0.00 O ATOM 1370 OE2 GLU A 85 -6.475 5.122 7.164 1.00 0.00 O ATOM 0 H GLU A 85 -3.031 9.469 4.200 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.906 7.195 6.139 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.926 9.044 6.190 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -5.580 7.798 5.145 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -4.437 7.314 7.921 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.141 7.520 7.570 1.00 0.00 H new ATOM 1377 N GLY A 86 -3.250 5.543 4.262 1.00 0.00 N ATOM 1378 CA GLY A 86 -3.144 4.567 3.167 1.00 0.00 C ATOM 1379 C GLY A 86 -4.270 3.547 3.108 1.00 0.00 C ATOM 1380 O GLY A 86 -4.141 2.465 3.688 1.00 0.00 O ATOM 0 H GLY A 86 -3.148 5.132 5.190 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.112 5.107 2.220 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.197 4.036 3.263 1.00 0.00 H new ATOM 1384 N ASP A 87 -5.329 3.854 2.352 1.00 0.00 N ATOM 1385 CA ASP A 87 -6.400 2.872 2.034 1.00 0.00 C ATOM 1386 C ASP A 87 -6.057 2.067 0.737 1.00 0.00 C ATOM 1387 O ASP A 87 -6.484 2.364 -0.381 1.00 0.00 O ATOM 1388 CB ASP A 87 -7.771 3.552 2.168 1.00 0.00 C ATOM 1389 CG ASP A 87 -8.262 4.518 1.119 1.00 0.00 C ATOM 1390 OD1 ASP A 87 -7.841 5.692 1.108 1.00 0.00 O ATOM 1391 OD2 ASP A 87 -9.125 4.120 0.307 1.00 0.00 O ATOM 0 H ASP A 87 -5.478 4.776 1.942 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.464 2.062 2.761 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.515 2.759 2.246 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.772 4.085 3.119 1.00 0.00 H new ATOM 1396 N TYR A 88 -5.198 1.050 0.922 1.00 0.00 N ATOM 1397 CA TYR A 88 -4.406 0.423 -0.170 1.00 0.00 C ATOM 1398 C TYR A 88 -4.642 -1.111 -0.257 1.00 0.00 C ATOM 1399 O TYR A 88 -5.683 -1.521 -0.777 1.00 0.00 O ATOM 1400 CB TYR A 88 -2.946 0.944 -0.134 1.00 0.00 C ATOM 1401 CG TYR A 88 -2.089 0.919 1.157 1.00 0.00 C ATOM 1402 CD1 TYR A 88 -2.406 0.190 2.327 1.00 0.00 C ATOM 1403 CD2 TYR A 88 -0.944 1.724 1.179 1.00 0.00 C ATOM 1404 CE1 TYR A 88 -1.623 0.302 3.476 1.00 0.00 C ATOM 1405 CE2 TYR A 88 -0.158 1.829 2.331 1.00 0.00 C ATOM 1406 CZ TYR A 88 -0.507 1.128 3.481 1.00 0.00 C ATOM 1407 OH TYR A 88 0.221 1.278 4.622 1.00 0.00 O ATOM 0 H TYR A 88 -5.027 0.631 1.836 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.765 0.743 -1.148 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.394 0.381 -0.887 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.975 1.981 -0.470 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -3.267 -0.463 2.331 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.663 2.273 0.292 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.885 -0.255 4.363 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.722 2.456 2.328 1.00 0.00 H new ATOM 0 HH TYR A 88 0.919 0.591 4.657 1.00 0.00 H new ATOM 1417 N PHE A 89 -3.719 -1.958 0.223 1.00 0.00 N ATOM 1418 CA PHE A 89 -3.988 -3.400 0.466 1.00 0.00 C ATOM 1419 C PHE A 89 -4.104 -3.631 2.013 1.00 0.00 C ATOM 1420 O PHE A 89 -3.059 -3.742 2.667 1.00 0.00 O ATOM 1421 CB PHE A 89 -2.854 -4.221 -0.198 1.00 0.00 C ATOM 1422 CG PHE A 89 -3.146 -5.732 -0.263 1.00 0.00 C ATOM 1423 CD1 PHE A 89 -2.842 -6.574 0.821 1.00 0.00 C ATOM 1424 CD2 PHE A 89 -3.735 -6.296 -1.405 1.00 0.00 C ATOM 1425 CE1 PHE A 89 -3.119 -7.939 0.765 1.00 0.00 C ATOM 1426 CE2 PHE A 89 -4.012 -7.664 -1.462 1.00 0.00 C ATOM 1427 CZ PHE A 89 -3.703 -8.483 -0.377 1.00 0.00 C ATOM 0 H PHE A 89 -2.767 -1.674 0.455 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.929 -3.728 0.024 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.689 -3.847 -1.209 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.929 -4.061 0.356 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.388 -6.158 1.708 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.977 -5.666 -2.248 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.881 -8.574 1.606 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.465 -8.087 -2.346 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.917 -9.541 -0.422 1.00 0.00 H new ATOM 1437 N PRO A 90 -5.307 -3.718 2.643 1.00 0.00 N ATOM 1438 CA PRO A 90 -5.416 -3.767 4.144 1.00 0.00 C ATOM 1439 C PRO A 90 -5.359 -5.166 4.816 1.00 0.00 C ATOM 1440 O PRO A 90 -6.196 -5.512 5.655 1.00 0.00 O ATOM 1441 CB PRO A 90 -6.771 -3.039 4.346 1.00 0.00 C ATOM 1442 CG PRO A 90 -7.622 -3.494 3.138 1.00 0.00 C ATOM 1443 CD PRO A 90 -6.606 -3.439 1.986 1.00 0.00 C ATOM 0 HA PRO A 90 -4.553 -3.316 4.634 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -7.237 -3.318 5.291 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.645 -1.956 4.360 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -8.025 -4.497 3.278 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.470 -2.832 2.965 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.832 -4.179 1.218 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.606 -2.464 1.499 1.00 0.00 H new ATOM 1451 N SER A 91 -4.319 -5.940 4.490 1.00 0.00 N ATOM 1452 CA SER A 91 -4.045 -7.247 5.146 1.00 0.00 C ATOM 1453 C SER A 91 -2.547 -7.638 4.981 1.00 0.00 C ATOM 1454 O SER A 91 -2.200 -8.500 4.168 1.00 0.00 O ATOM 1455 CB SER A 91 -5.012 -8.331 4.600 1.00 0.00 C ATOM 1456 OG SER A 91 -4.877 -9.541 5.340 1.00 0.00 O ATOM 0 H SER A 91 -3.640 -5.691 3.770 1.00 0.00 H new ATOM 0 HA SER A 91 -4.230 -7.162 6.217 1.00 0.00 H new ATOM 0 HB2 SER A 91 -6.040 -7.973 4.661 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.801 -8.517 3.547 1.00 0.00 H new ATOM 0 HG SER A 91 -5.495 -10.213 4.984 1.00 0.00 H new ATOM 1462 N GLN A 92 -1.665 -6.975 5.749 1.00 0.00 N ATOM 1463 CA GLN A 92 -0.212 -7.291 5.796 1.00 0.00 C ATOM 1464 C GLN A 92 0.474 -6.349 6.838 1.00 0.00 C ATOM 1465 O GLN A 92 0.891 -5.233 6.514 1.00 0.00 O ATOM 1466 CB GLN A 92 0.543 -7.317 4.436 1.00 0.00 C ATOM 1467 CG GLN A 92 0.366 -6.109 3.502 1.00 0.00 C ATOM 1468 CD GLN A 92 1.301 -6.143 2.302 1.00 0.00 C ATOM 1469 OE1 GLN A 92 2.518 -6.080 2.436 1.00 0.00 O ATOM 1470 NE2 GLN A 92 0.791 -6.215 1.097 1.00 0.00 N ATOM 0 H GLN A 92 -1.932 -6.202 6.359 1.00 0.00 H new ATOM 0 HA GLN A 92 -0.143 -8.333 6.108 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.607 -7.428 4.644 1.00 0.00 H new ATOM 0 HB3 GLN A 92 0.230 -8.209 3.894 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.665 -6.076 3.151 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.540 -5.192 4.066 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.220 -6.268 0.973 1.00 0.00 H new ATOM 0 HE22 GLN A 92 1.405 -6.218 0.283 1.00 0.00 H new ATOM 1479 N ASP A 93 0.569 -6.800 8.093 1.00 0.00 N ATOM 1480 CA ASP A 93 1.075 -5.971 9.214 1.00 0.00 C ATOM 1481 C ASP A 93 1.638 -6.900 10.325 1.00 0.00 C ATOM 1482 O ASP A 93 0.941 -7.290 11.265 1.00 0.00 O ATOM 1483 CB ASP A 93 0.104 -4.872 9.692 1.00 0.00 C ATOM 1484 CG ASP A 93 -1.354 -5.174 9.966 1.00 0.00 C ATOM 1485 OD1 ASP A 93 -2.109 -5.442 9.003 1.00 0.00 O ATOM 1486 OD2 ASP A 93 -1.779 -5.051 11.135 1.00 0.00 O ATOM 0 H ASP A 93 0.301 -7.745 8.369 1.00 0.00 H new ATOM 0 HA ASP A 93 1.904 -5.366 8.847 1.00 0.00 H new ATOM 0 HB2 ASP A 93 0.520 -4.458 10.610 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.129 -4.079 8.944 1.00 0.00 H new ATOM 1491 N GLU A 94 2.923 -7.263 10.196 1.00 0.00 N ATOM 1492 CA GLU A 94 3.628 -8.168 11.154 1.00 0.00 C ATOM 1493 C GLU A 94 3.966 -7.634 12.585 1.00 0.00 C ATOM 1494 O GLU A 94 4.040 -8.397 13.550 1.00 0.00 O ATOM 1495 CB GLU A 94 4.848 -8.814 10.452 1.00 0.00 C ATOM 1496 CG GLU A 94 6.002 -7.898 9.997 1.00 0.00 C ATOM 1497 CD GLU A 94 5.737 -7.080 8.747 1.00 0.00 C ATOM 1498 OE1 GLU A 94 5.195 -5.960 8.858 1.00 0.00 O ATOM 1499 OE2 GLU A 94 6.073 -7.543 7.638 1.00 0.00 O ATOM 0 H GLU A 94 3.514 -6.944 9.429 1.00 0.00 H new ATOM 0 HA GLU A 94 2.877 -8.916 11.407 1.00 0.00 H new ATOM 0 HB2 GLU A 94 5.264 -9.560 11.129 1.00 0.00 H new ATOM 0 HB3 GLU A 94 4.482 -9.348 9.575 1.00 0.00 H new ATOM 0 HG2 GLU A 94 6.243 -7.215 10.812 1.00 0.00 H new ATOM 0 HG3 GLU A 94 6.885 -8.514 9.826 1.00 0.00 H new ATOM 1506 N GLN A 95 4.095 -6.315 12.673 1.00 0.00 N ATOM 1507 CA GLN A 95 3.917 -5.560 13.935 1.00 0.00 C ATOM 1508 C GLN A 95 2.536 -4.838 13.769 1.00 0.00 C ATOM 1509 O GLN A 95 2.426 -3.860 13.024 1.00 0.00 O ATOM 1510 CB GLN A 95 5.057 -4.535 14.148 1.00 0.00 C ATOM 1511 CG GLN A 95 6.480 -5.128 14.230 1.00 0.00 C ATOM 1512 CD GLN A 95 7.565 -4.087 13.987 1.00 0.00 C ATOM 1513 OE1 GLN A 95 7.783 -3.636 12.865 1.00 0.00 O ATOM 1514 NE2 GLN A 95 8.276 -3.665 15.004 1.00 0.00 N ATOM 0 H GLN A 95 4.327 -5.725 11.874 1.00 0.00 H new ATOM 0 HA GLN A 95 3.943 -6.213 14.808 1.00 0.00 H new ATOM 0 HB2 GLN A 95 5.030 -3.813 13.332 1.00 0.00 H new ATOM 0 HB3 GLN A 95 4.859 -3.984 15.067 1.00 0.00 H new ATOM 0 HG2 GLN A 95 6.626 -5.577 15.213 1.00 0.00 H new ATOM 0 HG3 GLN A 95 6.579 -5.928 13.496 1.00 0.00 H new ATOM 0 HE21 GLN A 95 8.100 -4.035 15.938 1.00 0.00 H new ATOM 0 HE22 GLN A 95 9.005 -2.966 14.861 1.00 0.00 H new ATOM 1523 N LEU A 96 1.493 -5.406 14.393 1.00 0.00 N ATOM 1524 CA LEU A 96 0.067 -5.094 14.051 1.00 0.00 C ATOM 1525 C LEU A 96 -0.302 -3.582 14.104 1.00 0.00 C ATOM 1526 O LEU A 96 -0.143 -2.917 15.132 1.00 0.00 O ATOM 1527 CB LEU A 96 -0.805 -5.999 14.966 1.00 0.00 C ATOM 1528 CG LEU A 96 -2.310 -6.087 14.608 1.00 0.00 C ATOM 1529 CD1 LEU A 96 -2.877 -7.458 15.032 1.00 0.00 C ATOM 1530 CD2 LEU A 96 -3.146 -4.998 15.293 1.00 0.00 C ATOM 0 H LEU A 96 1.595 -6.089 15.143 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.122 -5.317 13.001 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.389 -7.006 14.948 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.717 -5.636 15.990 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.377 -5.949 13.529 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.935 -7.509 14.776 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.339 -8.251 14.512 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.758 -7.584 16.108 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.192 -5.108 15.006 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.054 -5.095 16.375 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.787 -4.016 14.985 1.00 0.00 H new ATOM 1542 N ALA A 97 -0.749 -3.059 12.957 1.00 0.00 N ATOM 1543 CA ALA A 97 -0.964 -1.609 12.739 1.00 0.00 C ATOM 1544 C ALA A 97 -2.466 -1.247 12.813 1.00 0.00 C ATOM 1545 O ALA A 97 -3.207 -1.793 13.639 1.00 0.00 O ATOM 1546 CB ALA A 97 -0.201 -1.330 11.432 1.00 0.00 C ATOM 0 H ALA A 97 -0.976 -3.628 12.142 1.00 0.00 H new ATOM 0 HA ALA A 97 -0.575 -0.945 13.511 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -0.294 -0.275 11.174 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.852 -1.579 11.565 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -0.619 -1.938 10.630 1.00 0.00 H new ATOM 1552 N LYS A 98 -2.948 -0.325 11.968 1.00 0.00 N ATOM 1553 CA LYS A 98 -4.411 -0.092 11.791 1.00 0.00 C ATOM 1554 C LYS A 98 -5.092 -1.278 11.029 1.00 0.00 C ATOM 1555 O LYS A 98 -5.361 -1.208 9.825 1.00 0.00 O ATOM 1556 CB LYS A 98 -4.580 1.285 11.102 1.00 0.00 C ATOM 1557 CG LYS A 98 -6.040 1.761 10.974 1.00 0.00 C ATOM 1558 CD LYS A 98 -6.133 3.143 10.298 1.00 0.00 C ATOM 1559 CE LYS A 98 -7.598 3.557 10.081 1.00 0.00 C ATOM 1560 NZ LYS A 98 -7.652 4.901 9.448 1.00 0.00 N ATOM 0 H LYS A 98 -2.358 0.276 11.392 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.926 -0.063 12.751 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.016 2.030 11.664 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -4.139 1.236 10.107 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.610 1.034 10.396 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.495 1.809 11.963 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.629 3.887 10.915 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.613 3.118 9.340 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.102 2.826 9.449 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.126 3.572 11.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.622 5.272 9.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.006 5.546 9.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -7.365 4.827 8.451 1.00 0.00 H new ATOM 1574 N ALA A 99 -5.387 -2.354 11.780 1.00 0.00 N ATOM 1575 CA ALA A 99 -5.906 -3.620 11.207 1.00 0.00 C ATOM 1576 C ALA A 99 -7.445 -3.596 10.964 1.00 0.00 C ATOM 1577 O ALA A 99 -8.250 -4.190 11.687 1.00 0.00 O ATOM 1578 CB ALA A 99 -5.440 -4.742 12.145 1.00 0.00 C ATOM 0 H ALA A 99 -5.275 -2.377 12.794 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.508 -3.784 10.206 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.796 -5.701 11.769 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.351 -4.751 12.189 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -5.842 -4.572 13.144 1.00 0.00 H new ATOM 1584 N ALA A 100 -7.815 -2.870 9.907 1.00 0.00 N ATOM 1585 CA ALA A 100 -9.216 -2.607 9.519 1.00 0.00 C ATOM 1586 C ALA A 100 -9.357 -2.583 7.958 1.00 0.00 C ATOM 1587 O ALA A 100 -8.371 -2.257 7.283 1.00 0.00 O ATOM 1588 CB ALA A 100 -9.585 -1.236 10.114 1.00 0.00 C ATOM 0 H ALA A 100 -7.139 -2.436 9.278 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.880 -3.388 9.891 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.616 -0.993 9.855 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.481 -1.270 11.199 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.920 -0.473 9.710 1.00 0.00 H new ATOM 1594 N PRO A 101 -10.533 -2.867 7.329 1.00 0.00 N ATOM 1595 CA PRO A 101 -10.651 -2.932 5.829 1.00 0.00 C ATOM 1596 C PRO A 101 -10.627 -1.561 5.093 1.00 0.00 C ATOM 1597 O PRO A 101 -11.619 -1.094 4.526 1.00 0.00 O ATOM 1598 CB PRO A 101 -11.965 -3.743 5.656 1.00 0.00 C ATOM 1599 CG PRO A 101 -12.806 -3.386 6.903 1.00 0.00 C ATOM 1600 CD PRO A 101 -11.757 -3.319 8.026 1.00 0.00 C ATOM 0 HA PRO A 101 -9.785 -3.395 5.355 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -12.482 -3.469 4.736 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -11.767 -4.814 5.604 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -13.326 -2.436 6.780 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -13.566 -4.141 7.106 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -12.053 -2.622 8.810 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.614 -4.290 8.500 1.00 0.00 H new ATOM 1608 N LYS A 102 -9.433 -0.958 5.068 1.00 0.00 N ATOM 1609 CA LYS A 102 -9.168 0.321 4.382 1.00 0.00 C ATOM 1610 C LYS A 102 -8.759 0.114 2.894 1.00 0.00 C ATOM 1611 O LYS A 102 -7.588 -0.070 2.561 1.00 0.00 O ATOM 1612 CB LYS A 102 -8.220 1.217 5.227 1.00 0.00 C ATOM 1613 CG LYS A 102 -6.815 0.704 5.591 1.00 0.00 C ATOM 1614 CD LYS A 102 -5.967 1.809 6.267 1.00 0.00 C ATOM 1615 CE LYS A 102 -4.586 1.284 6.713 1.00 0.00 C ATOM 1616 NZ LYS A 102 -3.624 2.404 6.930 1.00 0.00 N ATOM 0 H LYS A 102 -8.610 -1.346 5.528 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.096 0.888 4.311 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -8.095 2.157 4.690 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -8.735 1.448 6.160 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -6.901 -0.152 6.261 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.309 0.355 4.691 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -5.833 2.639 5.573 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -6.503 2.200 7.132 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -4.693 0.710 7.634 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -4.192 0.604 5.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -2.960 2.451 6.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -4.146 3.301 7.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -3.095 2.241 7.810 1.00 0.00 H new ATOM 1630 N GLN A 103 -9.759 0.167 2.008 1.00 0.00 N ATOM 1631 CA GLN A 103 -9.577 0.486 0.563 1.00 0.00 C ATOM 1632 C GLN A 103 -10.954 0.997 0.039 1.00 0.00 C ATOM 1633 O GLN A 103 -11.850 0.203 -0.262 1.00 0.00 O ATOM 1634 CB GLN A 103 -8.956 -0.628 -0.307 1.00 0.00 C ATOM 1635 CG GLN A 103 -9.547 -2.040 -0.201 1.00 0.00 C ATOM 1636 CD GLN A 103 -9.163 -3.002 -1.315 1.00 0.00 C ATOM 1637 OE1 GLN A 103 -10.019 -3.524 -2.023 1.00 0.00 O ATOM 1638 NE2 GLN A 103 -7.902 -3.301 -1.519 1.00 0.00 N ATOM 0 H GLN A 103 -10.731 -0.010 2.262 1.00 0.00 H new ATOM 0 HA GLN A 103 -8.812 1.257 0.475 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -9.024 -0.315 -1.349 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -7.896 -0.691 -0.062 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -9.238 -2.473 0.750 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -10.634 -1.958 -0.175 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -7.177 -2.877 -0.940 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -7.646 -3.958 -2.256 1.00 0.00 H new ATOM 1647 N PHE A 104 -11.154 2.323 0.070 1.00 0.00 N ATOM 1648 CA PHE A 104 -12.512 2.928 0.136 1.00 0.00 C ATOM 1649 C PHE A 104 -12.671 4.446 -0.208 1.00 0.00 C ATOM 1650 O PHE A 104 -13.813 4.870 -0.411 1.00 0.00 O ATOM 1651 CB PHE A 104 -13.251 2.575 1.465 1.00 0.00 C ATOM 1652 CG PHE A 104 -12.583 2.820 2.838 1.00 0.00 C ATOM 1653 CD1 PHE A 104 -11.579 3.784 3.076 1.00 0.00 C ATOM 1654 CD2 PHE A 104 -13.021 2.048 3.922 1.00 0.00 C ATOM 1655 CE1 PHE A 104 -11.036 3.957 4.351 1.00 0.00 C ATOM 1656 CE2 PHE A 104 -12.485 2.227 5.201 1.00 0.00 C ATOM 1657 CZ PHE A 104 -11.495 3.182 5.411 1.00 0.00 C ATOM 0 H PHE A 104 -10.397 3.006 0.051 1.00 0.00 H new ATOM 0 HA PHE A 104 -12.998 2.442 -0.710 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -14.191 3.128 1.464 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -13.504 1.516 1.418 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -11.226 4.397 2.260 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -13.786 1.302 3.767 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -10.261 4.691 4.514 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -12.839 1.625 6.025 1.00 0.00 H new ATOM 0 HZ PHE A 104 -11.082 3.322 6.399 1.00 0.00 H new ATOM 1667 N GLY A 105 -11.604 5.259 -0.287 1.00 0.00 N ATOM 1668 CA GLY A 105 -11.728 6.725 -0.526 1.00 0.00 C ATOM 1669 C GLY A 105 -11.939 7.166 -1.989 1.00 0.00 C ATOM 1670 O GLY A 105 -11.123 7.892 -2.558 1.00 0.00 O ATOM 0 H GLY A 105 -10.642 4.935 -0.190 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -12.563 7.098 0.067 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -10.827 7.210 -0.150 1.00 0.00 H new ATOM 1674 N ARG A 106 -13.046 6.694 -2.569 1.00 0.00 N ATOM 1675 CA ARG A 106 -13.316 6.704 -4.037 1.00 0.00 C ATOM 1676 C ARG A 106 -14.790 6.178 -4.196 1.00 0.00 C ATOM 1677 O ARG A 106 -15.133 5.151 -3.606 1.00 0.00 O ATOM 1678 CB ARG A 106 -12.282 5.796 -4.746 1.00 0.00 C ATOM 1679 CG ARG A 106 -12.178 5.835 -6.278 1.00 0.00 C ATOM 1680 CD ARG A 106 -13.344 5.332 -7.131 1.00 0.00 C ATOM 1681 NE ARG A 106 -13.818 4.007 -6.681 1.00 0.00 N ATOM 1682 CZ ARG A 106 -14.905 3.391 -7.103 1.00 0.00 C ATOM 1683 NH1 ARG A 106 -15.612 3.756 -8.140 1.00 0.00 N ATOM 1684 NH2 ARG A 106 -15.287 2.360 -6.422 1.00 0.00 N ATOM 0 H ARG A 106 -13.807 6.281 -2.030 1.00 0.00 H new ATOM 0 HA ARG A 106 -13.222 7.692 -4.489 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -11.299 6.042 -4.344 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -12.496 4.767 -4.458 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -11.987 6.869 -6.565 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -11.297 5.258 -6.559 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -14.165 6.048 -7.084 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -13.033 5.272 -8.174 1.00 0.00 H new ATOM 0 HE ARG A 106 -13.254 3.525 -5.981 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -15.333 4.571 -8.686 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -16.443 3.226 -8.403 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -14.754 2.063 -5.605 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -16.121 1.844 -6.702 1.00 0.00 H new ATOM 1698 N ASN A 107 -15.638 6.877 -4.976 1.00 0.00 N ATOM 1699 CA ASN A 107 -17.119 6.645 -5.047 1.00 0.00 C ATOM 1700 C ASN A 107 -17.668 5.178 -4.988 1.00 0.00 C ATOM 1701 O ASN A 107 -17.711 4.453 -5.985 1.00 0.00 O ATOM 1702 CB ASN A 107 -17.712 7.467 -6.228 1.00 0.00 C ATOM 1703 CG ASN A 107 -17.425 7.004 -7.652 1.00 0.00 C ATOM 1704 OD1 ASN A 107 -16.291 6.801 -8.072 1.00 0.00 O ATOM 1705 ND2 ASN A 107 -18.436 6.834 -8.469 1.00 0.00 N ATOM 0 H ASN A 107 -15.323 7.631 -5.587 1.00 0.00 H new ATOM 0 HA ASN A 107 -17.484 7.006 -4.085 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -18.794 7.497 -6.101 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -17.351 8.491 -6.133 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -18.270 6.539 -9.431 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -19.389 6.997 -8.142 1.00 0.00 H new ATOM 1712 N LEU A 108 -18.051 4.741 -3.778 1.00 0.00 N ATOM 1713 CA LEU A 108 -18.056 3.288 -3.432 1.00 0.00 C ATOM 1714 C LEU A 108 -19.391 2.568 -3.774 1.00 0.00 C ATOM 1715 O LEU A 108 -20.220 2.292 -2.902 1.00 0.00 O ATOM 1716 CB LEU A 108 -17.656 3.229 -1.930 1.00 0.00 C ATOM 1717 CG LEU A 108 -17.308 1.832 -1.366 1.00 0.00 C ATOM 1718 CD1 LEU A 108 -15.987 1.303 -1.932 1.00 0.00 C ATOM 1719 CD2 LEU A 108 -17.188 1.921 0.168 1.00 0.00 C ATOM 0 H LEU A 108 -18.360 5.354 -3.023 1.00 0.00 H new ATOM 0 HA LEU A 108 -17.347 2.728 -4.042 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -16.796 3.882 -1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -18.476 3.641 -1.342 1.00 0.00 H new ATOM 0 HG LEU A 108 -18.104 1.147 -1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -15.779 0.319 -1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -16.061 1.225 -3.017 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -15.180 1.988 -1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -16.943 0.939 0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -16.401 2.628 0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -18.135 2.259 0.588 1.00 0.00 H new ATOM 1731 N ALA A 109 -19.568 2.240 -5.064 1.00 0.00 N ATOM 1732 CA ALA A 109 -20.806 1.607 -5.568 1.00 0.00 C ATOM 1733 C ALA A 109 -20.541 0.167 -6.099 1.00 0.00 C ATOM 1734 O ALA A 109 -20.098 -0.066 -7.229 1.00 0.00 O ATOM 1735 CB ALA A 109 -21.358 2.511 -6.672 1.00 0.00 C ATOM 0 H ALA A 109 -18.865 2.403 -5.785 1.00 0.00 H new ATOM 0 HA ALA A 109 -21.530 1.501 -4.760 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -22.275 2.078 -7.072 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -21.572 3.498 -6.261 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -20.621 2.602 -7.470 1.00 0.00 H new ATOM 1741 N ARG A 110 -20.849 -0.794 -5.235 1.00 0.00 N ATOM 1742 CA ARG A 110 -20.849 -2.239 -5.582 1.00 0.00 C ATOM 1743 C ARG A 110 -21.867 -3.028 -4.702 1.00 0.00 C ATOM 1744 O ARG A 110 -22.017 -2.800 -3.499 1.00 0.00 O ATOM 1745 CB ARG A 110 -19.404 -2.800 -5.513 1.00 0.00 C ATOM 1746 CG ARG A 110 -19.173 -4.150 -6.225 1.00 0.00 C ATOM 1747 CD ARG A 110 -19.334 -5.407 -5.363 1.00 0.00 C ATOM 1748 NE ARG A 110 -18.138 -5.644 -4.526 1.00 0.00 N ATOM 1749 CZ ARG A 110 -18.081 -5.547 -3.205 1.00 0.00 C ATOM 1750 NH1 ARG A 110 -19.130 -5.429 -2.427 1.00 0.00 N ATOM 1751 NH2 ARG A 110 -16.906 -5.576 -2.652 1.00 0.00 N ATOM 0 H ARG A 110 -21.109 -0.608 -4.266 1.00 0.00 H new ATOM 0 HA ARG A 110 -21.189 -2.367 -6.610 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -18.727 -2.063 -5.945 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -19.127 -2.912 -4.465 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -19.867 -4.218 -7.063 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -18.167 -4.149 -6.644 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -20.212 -5.303 -4.725 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -19.508 -6.271 -6.005 1.00 0.00 H new ATOM 0 HE ARG A 110 -17.279 -5.906 -5.009 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -20.066 -5.407 -2.832 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -19.010 -5.359 -1.416 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -16.072 -5.670 -3.231 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -16.817 -5.504 -1.638 1.00 0.00 H new ATOM 1765 N ASP A 111 -22.525 -3.987 -5.349 1.00 0.00 N ATOM 1766 CA ASP A 111 -23.462 -4.961 -4.745 1.00 0.00 C ATOM 1767 C ASP A 111 -23.024 -5.718 -3.451 1.00 0.00 C ATOM 1768 O ASP A 111 -21.863 -6.091 -3.250 1.00 0.00 O ATOM 1769 CB ASP A 111 -23.891 -5.937 -5.885 1.00 0.00 C ATOM 1770 CG ASP A 111 -22.804 -6.668 -6.681 1.00 0.00 C ATOM 1771 OD1 ASP A 111 -21.923 -6.000 -7.266 1.00 0.00 O ATOM 1772 OD2 ASP A 111 -22.819 -7.915 -6.743 1.00 0.00 O ATOM 0 H ASP A 111 -22.422 -4.122 -6.355 1.00 0.00 H new ATOM 0 HA ASP A 111 -24.289 -4.375 -4.344 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -24.542 -6.693 -5.445 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -24.495 -5.371 -6.594 1.00 0.00 H new ATOM 1777 N LYS A 112 -24.011 -5.966 -2.580 1.00 0.00 N ATOM 1778 CA LYS A 112 -23.825 -6.757 -1.326 1.00 0.00 C ATOM 1779 C LYS A 112 -24.315 -8.217 -1.571 1.00 0.00 C ATOM 1780 O LYS A 112 -25.383 -8.639 -1.123 1.00 0.00 O ATOM 1781 CB LYS A 112 -24.556 -5.984 -0.203 1.00 0.00 C ATOM 1782 CG LYS A 112 -24.168 -6.312 1.253 1.00 0.00 C ATOM 1783 CD LYS A 112 -24.728 -7.634 1.792 1.00 0.00 C ATOM 1784 CE LYS A 112 -24.501 -7.860 3.300 1.00 0.00 C ATOM 1785 NZ LYS A 112 -25.420 -7.031 4.135 1.00 0.00 N ATOM 0 H LYS A 112 -24.965 -5.630 -2.712 1.00 0.00 H new ATOM 0 HA LYS A 112 -22.785 -6.863 -1.017 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -24.390 -4.919 -0.364 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -25.626 -6.160 -0.314 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -23.081 -6.339 1.326 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -24.511 -5.501 1.896 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -25.799 -7.669 1.590 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -24.273 -8.457 1.242 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -24.650 -8.914 3.535 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -23.468 -7.620 3.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -25.234 -7.213 5.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -25.261 -6.024 3.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -26.406 -7.278 3.915 1.00 0.00 H new ATOM 1799 N LYS A 113 -23.514 -8.945 -2.364 1.00 0.00 N ATOM 1800 CA LYS A 113 -23.962 -10.205 -3.020 1.00 0.00 C ATOM 1801 C LYS A 113 -22.787 -11.223 -3.105 1.00 0.00 C ATOM 1802 O LYS A 113 -21.700 -10.903 -3.607 1.00 0.00 O ATOM 1803 CB LYS A 113 -24.465 -9.792 -4.430 1.00 0.00 C ATOM 1804 CG LYS A 113 -25.125 -10.892 -5.284 1.00 0.00 C ATOM 1805 CD LYS A 113 -25.343 -10.367 -6.722 1.00 0.00 C ATOM 1806 CE LYS A 113 -26.086 -11.370 -7.613 1.00 0.00 C ATOM 1807 NZ LYS A 113 -26.095 -10.853 -9.009 1.00 0.00 N ATOM 0 H LYS A 113 -22.549 -8.690 -2.573 1.00 0.00 H new ATOM 0 HA LYS A 113 -24.752 -10.700 -2.456 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -25.182 -8.980 -4.310 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -23.619 -9.391 -4.988 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -24.494 -11.781 -5.302 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -26.078 -11.186 -4.844 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -25.907 -9.435 -6.682 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -24.377 -10.136 -7.170 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -25.598 -12.344 -7.574 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -27.106 -11.510 -7.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -26.810 -11.365 -9.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -26.324 -9.838 -9.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -25.158 -10.994 -9.437 1.00 0.00 H new ATOM 1821 N LYS A 114 -23.040 -12.481 -2.710 1.00 0.00 N ATOM 1822 CA LYS A 114 -22.101 -13.607 -2.979 1.00 0.00 C ATOM 1823 C LYS A 114 -22.357 -14.209 -4.396 1.00 0.00 C ATOM 1824 O LYS A 114 -22.982 -15.263 -4.546 1.00 0.00 O ATOM 1825 CB LYS A 114 -22.249 -14.637 -1.826 1.00 0.00 C ATOM 1826 CG LYS A 114 -21.180 -15.757 -1.847 1.00 0.00 C ATOM 1827 CD LYS A 114 -21.420 -16.784 -0.726 1.00 0.00 C ATOM 1828 CE LYS A 114 -20.342 -17.882 -0.631 1.00 0.00 C ATOM 1829 NZ LYS A 114 -20.430 -18.887 -1.726 1.00 0.00 N ATOM 0 H LYS A 114 -23.882 -12.754 -2.204 1.00 0.00 H new ATOM 0 HA LYS A 114 -21.066 -13.265 -2.996 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -22.193 -14.112 -0.873 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -23.238 -15.091 -1.882 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -21.197 -16.261 -2.814 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -20.189 -15.318 -1.734 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -21.472 -16.258 0.227 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -22.390 -17.256 -0.883 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -19.356 -17.417 -0.652 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -20.434 -18.391 0.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -19.571 -19.474 -1.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -21.262 -19.492 -1.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -20.518 -18.398 -2.640 1.00 0.00 H new ATOM 1843 N GLN A 115 -21.824 -13.547 -5.437 1.00 0.00 N ATOM 1844 CA GLN A 115 -21.922 -14.049 -6.841 1.00 0.00 C ATOM 1845 C GLN A 115 -20.806 -15.096 -7.185 1.00 0.00 C ATOM 1846 O GLN A 115 -19.956 -14.886 -8.053 1.00 0.00 O ATOM 1847 CB GLN A 115 -21.946 -12.797 -7.753 1.00 0.00 C ATOM 1848 CG GLN A 115 -22.408 -13.078 -9.200 1.00 0.00 C ATOM 1849 CD GLN A 115 -22.534 -11.810 -10.035 1.00 0.00 C ATOM 1850 OE1 GLN A 115 -23.522 -11.084 -9.956 1.00 0.00 O ATOM 1851 NE2 GLN A 115 -21.567 -11.500 -10.863 1.00 0.00 N ATOM 0 H GLN A 115 -21.320 -12.665 -5.346 1.00 0.00 H new ATOM 0 HA GLN A 115 -22.836 -14.621 -6.999 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -22.607 -12.051 -7.311 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -20.947 -12.362 -7.780 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -21.699 -13.754 -9.678 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -23.370 -13.590 -9.177 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -20.744 -12.099 -10.933 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -21.637 -10.660 -11.437 1.00 0.00 H new ATOM 1860 N ARG A 116 -20.840 -16.226 -6.464 1.00 0.00 N ATOM 1861 CA ARG A 116 -19.863 -17.341 -6.573 1.00 0.00 C ATOM 1862 C ARG A 116 -20.463 -18.476 -5.681 1.00 0.00 C ATOM 1863 O ARG A 116 -20.471 -18.349 -4.451 1.00 0.00 O ATOM 1864 CB ARG A 116 -18.442 -16.924 -6.110 1.00 0.00 C ATOM 1865 CG ARG A 116 -17.281 -17.756 -6.688 1.00 0.00 C ATOM 1866 CD ARG A 116 -17.001 -19.099 -6.004 1.00 0.00 C ATOM 1867 NE ARG A 116 -15.832 -19.714 -6.686 1.00 0.00 N ATOM 1868 CZ ARG A 116 -15.133 -20.756 -6.245 1.00 0.00 C ATOM 1869 NH1 ARG A 116 -15.412 -21.440 -5.166 1.00 0.00 N ATOM 1870 NH2 ARG A 116 -14.095 -21.125 -6.937 1.00 0.00 N ATOM 0 H ARG A 116 -21.564 -16.403 -5.768 1.00 0.00 H new ATOM 0 HA ARG A 116 -19.726 -17.662 -7.606 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -18.285 -15.879 -6.378 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -18.402 -16.984 -5.022 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -17.487 -17.945 -7.742 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -16.374 -17.154 -6.644 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -16.793 -18.953 -4.944 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -17.871 -19.752 -6.071 1.00 0.00 H new ATOM 0 HE ARG A 116 -15.540 -19.300 -7.571 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -16.218 -21.185 -4.595 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -14.824 -22.228 -4.896 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -13.842 -20.619 -7.786 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -13.534 -21.920 -6.630 1.00 0.00 H new ATOM 1884 N GLY A 117 -21.000 -19.534 -6.313 1.00 0.00 N ATOM 1885 CA GLY A 117 -21.842 -20.558 -5.628 1.00 0.00 C ATOM 1886 C GLY A 117 -21.336 -21.183 -4.318 1.00 0.00 C ATOM 1887 O GLY A 117 -21.886 -20.898 -3.250 1.00 0.00 O ATOM 0 H GLY A 117 -20.870 -19.712 -7.309 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -22.811 -20.103 -5.423 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -22.014 -21.370 -6.335 1.00 0.00 H new ATOM 1891 N ARG A 118 -20.270 -21.980 -4.419 1.00 0.00 N ATOM 1892 CA ARG A 118 -19.483 -22.415 -3.235 1.00 0.00 C ATOM 1893 C ARG A 118 -18.435 -21.325 -2.862 1.00 0.00 C ATOM 1894 O ARG A 118 -18.576 -20.702 -1.786 1.00 0.00 O ATOM 1895 CB ARG A 118 -18.864 -23.799 -3.544 1.00 0.00 C ATOM 1896 CG ARG A 118 -18.203 -24.462 -2.316 1.00 0.00 C ATOM 1897 CD ARG A 118 -17.668 -25.880 -2.573 1.00 0.00 C ATOM 1898 NE ARG A 118 -18.781 -26.858 -2.678 1.00 0.00 N ATOM 1899 CZ ARG A 118 -18.642 -28.171 -2.826 1.00 0.00 C ATOM 1900 NH1 ARG A 118 -17.483 -28.777 -2.895 1.00 0.00 N ATOM 1901 NH2 ARG A 118 -19.718 -28.897 -2.909 1.00 0.00 N ATOM 1902 OXT ARG A 118 -17.503 -21.051 -3.650 1.00 0.00 O ATOM 0 H ARG A 118 -19.922 -22.345 -5.306 1.00 0.00 H new ATOM 0 HA ARG A 118 -20.116 -22.529 -2.355 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -19.641 -24.459 -3.930 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -18.120 -23.688 -4.333 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -17.381 -23.832 -1.977 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -18.930 -24.502 -1.505 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -17.082 -25.890 -3.492 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -16.998 -26.172 -1.764 1.00 0.00 H new ATOM 0 HE ARG A 118 -19.732 -26.491 -2.633 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -16.620 -28.236 -2.835 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -17.443 -29.790 -3.009 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -20.636 -28.455 -2.860 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -19.644 -29.908 -3.023 1.00 0.00 H new TER 1916 ARG A 118