USER MOD reduce.3.24.130724 H: found=0, std=0, add=955, rem=0, adj=23 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+ -145:sc= 1.08 (180deg=0) USER MOD Set 1.2: A 115 GLN : amide:sc= 0.928 K(o=2,f=-7.5!) USER MOD Set 2.1: A 41 THR OG1 : rot -10:sc= 0.358 USER MOD Set 2.2: A 88 TYR OH : rot -22:sc= 1.2 USER MOD Set 3.1: A 59 GLN : amide:sc= 0.93 K(o=2.5,f=-3.3) USER MOD Set 3.2: A 70 LYS NZ :NH3+ 169:sc= 1.6 (180deg=0.523) USER MOD Set 4.1: A 33 GLN : amide:sc= 1.17 K(o=2.4,f=-0.84!) USER MOD Set 4.2: A 43 SER OG : rot -60:sc= 1.27 USER MOD Set 5.1: A 8 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 10 GLN : amide:sc= 0.911 K(o=1.3,f=-3.5!) USER MOD Set 5.3: A 95 GLN : amide:sc= 0.409 K(o=1.3,f=-3.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 175:sc= 2.2 (180deg=2.1) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 169:sc= 1.35 (180deg=1.21) USER MOD Single : A 13 TYR OH : rot 105:sc= 1.26 USER MOD Single : A 14 GLN : amide:sc= 0.191 K(o=0.19,f=-1.4!) USER MOD Single : A 16 ASN : amide:sc= 0.33 K(o=0.33,f=-0.62) USER MOD Single : A 19 LYS NZ :NH3+ 149:sc= 2.57 (180deg=0.827) USER MOD Single : A 20 GLN : amide:sc= 0.729 K(o=0.73,f=-0.0074) USER MOD Single : A 21 ASN : amide:sc= 0.0667 X(o=0.067,f=0) USER MOD Single : A 25 GLN : amide:sc= 0.851 K(o=0.85,f=0) USER MOD Single : A 27 GLN : amide:sc= 0.226 X(o=0.23,f=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 76:sc= 0.615 USER MOD Single : A 32 LYS NZ :NH3+ 174:sc= 2.35 (180deg=2.19) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot -79:sc= 0.269 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= 0.563 K(o=0.56,f=-0.74) USER MOD Single : A 55 TYR OH : rot 51:sc= 1.06 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -85:sc= 1.23 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.258 USER MOD Single : A 67 THR OG1 : rot -49:sc= 1.27 USER MOD Single : A 71 ASN : amide:sc= 1.08 K(o=1.1,f=-0.31) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= 1.2 K(o=1.2,f=-0.015) USER MOD Single : A 91 SER OG : rot -75:sc= 1.82 USER MOD Single : A 92 GLN : amide:sc= -0.506 X(o=-0.51,f=-0.48) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 174:sc= 1.16 (180deg=1.14) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 171:sc= 2.47 (180deg=2.15) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.755 -4.848 11.994 1.00 0.00 N ATOM 2 CA MET A 1 20.018 -3.420 12.343 1.00 0.00 C ATOM 3 C MET A 1 21.174 -3.293 13.401 1.00 0.00 C ATOM 4 O MET A 1 21.686 -4.292 13.915 1.00 0.00 O ATOM 5 CB MET A 1 18.689 -2.809 12.859 1.00 0.00 C ATOM 6 CG MET A 1 17.673 -2.465 11.760 1.00 0.00 C ATOM 7 SD MET A 1 16.158 -1.881 12.545 1.00 0.00 S ATOM 8 CE MET A 1 15.066 -1.862 11.114 1.00 0.00 C ATOM 0 H1 MET A 1 18.933 -4.905 11.360 1.00 0.00 H new ATOM 0 H2 MET A 1 20.588 -5.248 11.517 1.00 0.00 H new ATOM 0 H3 MET A 1 19.560 -5.387 12.862 1.00 0.00 H new ATOM 0 HA MET A 1 20.357 -2.872 11.464 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.228 -3.510 13.555 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.915 -1.904 13.422 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.076 -1.699 11.098 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.468 -3.342 11.146 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.075 -1.523 11.417 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.467 -1.185 10.359 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.994 -2.867 10.698 1.00 0.00 H new ATOM 20 N ALA A 2 21.574 -2.054 13.728 1.00 0.00 N ATOM 21 CA ALA A 2 22.466 -1.785 14.885 1.00 0.00 C ATOM 22 C ALA A 2 21.716 -1.952 16.243 1.00 0.00 C ATOM 23 O ALA A 2 20.681 -1.320 16.480 1.00 0.00 O ATOM 24 CB ALA A 2 23.007 -0.358 14.715 1.00 0.00 C ATOM 0 H ALA A 2 21.298 -1.218 13.213 1.00 0.00 H new ATOM 0 HA ALA A 2 23.284 -2.505 14.907 1.00 0.00 H new ATOM 0 HB1 ALA A 2 23.669 -0.119 15.547 1.00 0.00 H new ATOM 0 HB2 ALA A 2 23.560 -0.288 13.779 1.00 0.00 H new ATOM 0 HB3 ALA A 2 22.176 0.347 14.699 1.00 0.00 H new ATOM 30 N GLY A 3 22.211 -2.863 17.090 1.00 0.00 N ATOM 31 CA GLY A 3 21.484 -3.293 18.309 1.00 0.00 C ATOM 32 C GLY A 3 20.639 -4.559 18.100 1.00 0.00 C ATOM 33 O GLY A 3 21.029 -5.641 18.542 1.00 0.00 O ATOM 0 H GLY A 3 23.113 -3.322 16.960 1.00 0.00 H new ATOM 0 HA2 GLY A 3 22.203 -3.473 19.108 1.00 0.00 H new ATOM 0 HA3 GLY A 3 20.835 -2.483 18.641 1.00 0.00 H new ATOM 37 N SER A 4 19.503 -4.423 17.399 1.00 0.00 N ATOM 38 CA SER A 4 18.699 -5.593 16.955 1.00 0.00 C ATOM 39 C SER A 4 19.325 -6.252 15.690 1.00 0.00 C ATOM 40 O SER A 4 19.179 -5.750 14.571 1.00 0.00 O ATOM 41 CB SER A 4 17.247 -5.116 16.725 1.00 0.00 C ATOM 42 OG SER A 4 16.400 -6.224 16.434 1.00 0.00 O ATOM 0 H SER A 4 19.114 -3.521 17.124 1.00 0.00 H new ATOM 0 HA SER A 4 18.696 -6.369 17.720 1.00 0.00 H new ATOM 0 HB2 SER A 4 16.884 -4.596 17.611 1.00 0.00 H new ATOM 0 HB3 SER A 4 17.218 -4.402 15.902 1.00 0.00 H new ATOM 0 HG SER A 4 15.484 -5.907 16.292 1.00 0.00 H new ATOM 48 N GLY A 5 20.067 -7.353 15.901 1.00 0.00 N ATOM 49 CA GLY A 5 20.991 -7.905 14.879 1.00 0.00 C ATOM 50 C GLY A 5 20.385 -8.386 13.555 1.00 0.00 C ATOM 51 O GLY A 5 20.475 -7.663 12.558 1.00 0.00 O ATOM 0 H GLY A 5 20.049 -7.884 16.772 1.00 0.00 H new ATOM 0 HA2 GLY A 5 21.733 -7.140 14.650 1.00 0.00 H new ATOM 0 HA3 GLY A 5 21.525 -8.743 15.327 1.00 0.00 H new ATOM 55 N ILE A 6 19.776 -9.580 13.531 1.00 0.00 N ATOM 56 CA ILE A 6 19.251 -10.198 12.262 1.00 0.00 C ATOM 57 C ILE A 6 17.835 -9.708 11.825 1.00 0.00 C ATOM 58 O ILE A 6 16.876 -10.466 11.669 1.00 0.00 O ATOM 59 CB ILE A 6 19.499 -11.739 12.282 1.00 0.00 C ATOM 60 CG1 ILE A 6 19.316 -12.455 10.918 1.00 0.00 C ATOM 61 CG2 ILE A 6 18.656 -12.479 13.339 1.00 0.00 C ATOM 62 CD1 ILE A 6 20.286 -12.022 9.820 1.00 0.00 C ATOM 0 H ILE A 6 19.625 -10.151 14.363 1.00 0.00 H new ATOM 0 HA ILE A 6 19.833 -9.815 11.424 1.00 0.00 H new ATOM 0 HB ILE A 6 20.555 -11.797 12.546 1.00 0.00 H new ATOM 0 HG12 ILE A 6 19.423 -13.529 11.072 1.00 0.00 H new ATOM 0 HG13 ILE A 6 18.298 -12.283 10.569 1.00 0.00 H new ATOM 0 HG21 ILE A 6 18.877 -13.546 13.299 1.00 0.00 H new ATOM 0 HG22 ILE A 6 18.897 -12.095 14.330 1.00 0.00 H new ATOM 0 HG23 ILE A 6 17.597 -12.320 13.136 1.00 0.00 H new ATOM 0 HD11 ILE A 6 20.076 -12.580 8.908 1.00 0.00 H new ATOM 0 HD12 ILE A 6 20.166 -10.956 9.629 1.00 0.00 H new ATOM 0 HD13 ILE A 6 21.309 -12.221 10.139 1.00 0.00 H new ATOM 74 N ILE A 7 17.771 -8.404 11.542 1.00 0.00 N ATOM 75 CA ILE A 7 16.612 -7.733 10.914 1.00 0.00 C ATOM 76 C ILE A 7 17.157 -6.706 9.885 1.00 0.00 C ATOM 77 O ILE A 7 17.651 -5.628 10.239 1.00 0.00 O ATOM 78 CB ILE A 7 15.634 -7.197 11.996 1.00 0.00 C ATOM 79 CG1 ILE A 7 14.265 -6.733 11.432 1.00 0.00 C ATOM 80 CG2 ILE A 7 16.173 -6.084 12.917 1.00 0.00 C ATOM 81 CD1 ILE A 7 13.430 -7.817 10.750 1.00 0.00 C ATOM 0 H ILE A 7 18.538 -7.764 11.745 1.00 0.00 H new ATOM 0 HA ILE A 7 15.985 -8.419 10.345 1.00 0.00 H new ATOM 0 HB ILE A 7 15.506 -8.090 12.607 1.00 0.00 H new ATOM 0 HG12 ILE A 7 13.681 -6.309 12.249 1.00 0.00 H new ATOM 0 HG13 ILE A 7 14.441 -5.930 10.716 1.00 0.00 H new ATOM 0 HG21 ILE A 7 15.400 -5.794 13.628 1.00 0.00 H new ATOM 0 HG22 ILE A 7 17.045 -6.450 13.458 1.00 0.00 H new ATOM 0 HG23 ILE A 7 16.456 -5.220 12.316 1.00 0.00 H new ATOM 0 HD11 ILE A 7 12.495 -7.385 10.393 1.00 0.00 H new ATOM 0 HD12 ILE A 7 13.985 -8.227 9.907 1.00 0.00 H new ATOM 0 HD13 ILE A 7 13.214 -8.612 11.463 1.00 0.00 H new ATOM 93 N TYR A 8 17.097 -7.079 8.605 1.00 0.00 N ATOM 94 CA TYR A 8 17.379 -6.177 7.464 1.00 0.00 C ATOM 95 C TYR A 8 16.077 -5.497 6.946 1.00 0.00 C ATOM 96 O TYR A 8 15.000 -6.103 6.944 1.00 0.00 O ATOM 97 CB TYR A 8 18.185 -6.940 6.383 1.00 0.00 C ATOM 98 CG TYR A 8 17.467 -8.011 5.547 1.00 0.00 C ATOM 99 CD1 TYR A 8 17.219 -9.296 6.058 1.00 0.00 C ATOM 100 CD2 TYR A 8 17.066 -7.724 4.235 1.00 0.00 C ATOM 101 CE1 TYR A 8 16.564 -10.258 5.283 1.00 0.00 C ATOM 102 CE2 TYR A 8 16.424 -8.689 3.457 1.00 0.00 C ATOM 103 CZ TYR A 8 16.166 -9.952 3.982 1.00 0.00 C ATOM 104 OH TYR A 8 15.512 -10.879 3.227 1.00 0.00 O ATOM 0 H TYR A 8 16.849 -8.026 8.318 1.00 0.00 H new ATOM 0 HA TYR A 8 18.009 -5.349 7.788 1.00 0.00 H new ATOM 0 HB2 TYR A 8 18.595 -6.202 5.693 1.00 0.00 H new ATOM 0 HB3 TYR A 8 19.031 -7.418 6.877 1.00 0.00 H new ATOM 0 HD1 TYR A 8 17.538 -9.543 7.060 1.00 0.00 H new ATOM 0 HD2 TYR A 8 17.256 -6.745 3.821 1.00 0.00 H new ATOM 0 HE1 TYR A 8 16.366 -11.238 5.692 1.00 0.00 H new ATOM 0 HE2 TYR A 8 16.127 -8.455 2.445 1.00 0.00 H new ATOM 0 HH TYR A 8 15.308 -10.499 2.347 1.00 0.00 H new ATOM 114 N LYS A 9 16.193 -4.227 6.536 1.00 0.00 N ATOM 115 CA LYS A 9 15.040 -3.419 6.043 1.00 0.00 C ATOM 116 C LYS A 9 15.533 -2.433 4.940 1.00 0.00 C ATOM 117 O LYS A 9 15.934 -1.303 5.234 1.00 0.00 O ATOM 118 CB LYS A 9 14.395 -2.713 7.268 1.00 0.00 C ATOM 119 CG LYS A 9 13.117 -1.898 6.973 1.00 0.00 C ATOM 120 CD LYS A 9 12.663 -1.125 8.231 1.00 0.00 C ATOM 121 CE LYS A 9 11.503 -0.159 7.945 1.00 0.00 C ATOM 122 NZ LYS A 9 11.165 0.601 9.182 1.00 0.00 N ATOM 0 H LYS A 9 17.079 -3.721 6.532 1.00 0.00 H new ATOM 0 HA LYS A 9 14.274 -4.038 5.576 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.157 -3.469 8.017 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.135 -2.047 7.712 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.305 -1.199 6.158 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.321 -2.566 6.643 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.358 -1.836 8.999 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.507 -0.564 8.633 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.780 0.530 7.147 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.632 -0.714 7.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.515 1.378 8.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.709 -0.035 9.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.035 0.992 9.598 1.00 0.00 H new ATOM 136 N GLN A 10 15.489 -2.868 3.675 1.00 0.00 N ATOM 137 CA GLN A 10 15.897 -2.034 2.511 1.00 0.00 C ATOM 138 C GLN A 10 14.701 -1.313 1.801 1.00 0.00 C ATOM 139 O GLN A 10 13.564 -1.790 1.909 1.00 0.00 O ATOM 140 CB GLN A 10 16.764 -2.898 1.555 1.00 0.00 C ATOM 141 CG GLN A 10 16.095 -3.913 0.612 1.00 0.00 C ATOM 142 CD GLN A 10 15.654 -5.244 1.195 1.00 0.00 C ATOM 143 OE1 GLN A 10 15.606 -5.480 2.398 1.00 0.00 O ATOM 144 NE2 GLN A 10 15.287 -6.167 0.340 1.00 0.00 N ATOM 0 H GLN A 10 15.172 -3.803 3.418 1.00 0.00 H new ATOM 0 HA GLN A 10 16.503 -1.204 2.874 1.00 0.00 H new ATOM 0 HB2 GLN A 10 17.343 -2.213 0.935 1.00 0.00 H new ATOM 0 HB3 GLN A 10 17.475 -3.448 2.171 1.00 0.00 H new ATOM 0 HG2 GLN A 10 15.220 -3.434 0.173 1.00 0.00 H new ATOM 0 HG3 GLN A 10 16.788 -4.119 -0.203 1.00 0.00 H new ATOM 0 HE21 GLN A 10 15.324 -5.978 -0.662 1.00 0.00 H new ATOM 0 HE22 GLN A 10 14.964 -7.074 0.676 1.00 0.00 H new ATOM 153 N PRO A 11 14.883 -0.219 1.005 1.00 0.00 N ATOM 154 CA PRO A 11 13.755 0.409 0.215 1.00 0.00 C ATOM 155 C PRO A 11 13.259 -0.321 -1.080 1.00 0.00 C ATOM 156 O PRO A 11 12.916 0.300 -2.087 1.00 0.00 O ATOM 157 CB PRO A 11 14.326 1.831 -0.031 1.00 0.00 C ATOM 158 CG PRO A 11 15.855 1.629 -0.115 1.00 0.00 C ATOM 159 CD PRO A 11 16.131 0.572 0.964 1.00 0.00 C ATOM 0 HA PRO A 11 12.813 0.367 0.762 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.932 2.262 -0.951 1.00 0.00 H new ATOM 0 HB3 PRO A 11 14.060 2.510 0.779 1.00 0.00 H new ATOM 0 HG2 PRO A 11 16.162 1.285 -1.103 1.00 0.00 H new ATOM 0 HG3 PRO A 11 16.395 2.555 0.082 1.00 0.00 H new ATOM 0 HD2 PRO A 11 16.990 -0.048 0.707 1.00 0.00 H new ATOM 0 HD3 PRO A 11 16.346 1.031 1.929 1.00 0.00 H new ATOM 167 N ILE A 12 13.136 -1.643 -0.965 1.00 0.00 N ATOM 168 CA ILE A 12 12.472 -2.547 -1.954 1.00 0.00 C ATOM 169 C ILE A 12 12.222 -3.902 -1.212 1.00 0.00 C ATOM 170 O ILE A 12 12.993 -4.860 -1.325 1.00 0.00 O ATOM 171 CB ILE A 12 13.211 -2.642 -3.325 1.00 0.00 C ATOM 172 CG1 ILE A 12 12.452 -3.467 -4.400 1.00 0.00 C ATOM 173 CG2 ILE A 12 14.665 -3.156 -3.244 1.00 0.00 C ATOM 174 CD1 ILE A 12 11.122 -2.862 -4.851 1.00 0.00 C ATOM 0 H ILE A 12 13.503 -2.149 -0.159 1.00 0.00 H new ATOM 0 HA ILE A 12 11.514 -2.140 -2.279 1.00 0.00 H new ATOM 0 HB ILE A 12 13.238 -1.598 -3.636 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.097 -3.583 -5.271 1.00 0.00 H new ATOM 0 HG13 ILE A 12 12.266 -4.466 -4.006 1.00 0.00 H new ATOM 0 HG21 ILE A 12 15.096 -3.188 -4.245 1.00 0.00 H new ATOM 0 HG22 ILE A 12 15.253 -2.486 -2.617 1.00 0.00 H new ATOM 0 HG23 ILE A 12 14.673 -4.157 -2.813 1.00 0.00 H new ATOM 0 HD11 ILE A 12 10.665 -3.507 -5.602 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.454 -2.772 -3.994 1.00 0.00 H new ATOM 0 HD13 ILE A 12 11.298 -1.875 -5.279 1.00 0.00 H new ATOM 186 N TYR A 13 11.188 -3.928 -0.357 1.00 0.00 N ATOM 187 CA TYR A 13 11.038 -4.956 0.700 1.00 0.00 C ATOM 188 C TYR A 13 9.559 -5.054 1.166 1.00 0.00 C ATOM 189 O TYR A 13 8.912 -4.049 1.485 1.00 0.00 O ATOM 190 CB TYR A 13 11.972 -4.579 1.876 1.00 0.00 C ATOM 191 CG TYR A 13 12.157 -5.621 2.981 1.00 0.00 C ATOM 192 CD1 TYR A 13 12.681 -6.893 2.701 1.00 0.00 C ATOM 193 CD2 TYR A 13 11.958 -5.260 4.317 1.00 0.00 C ATOM 194 CE1 TYR A 13 13.051 -7.754 3.736 1.00 0.00 C ATOM 195 CE2 TYR A 13 12.322 -6.121 5.351 1.00 0.00 C ATOM 196 CZ TYR A 13 12.896 -7.355 5.060 1.00 0.00 C ATOM 197 OH TYR A 13 13.484 -8.059 6.065 1.00 0.00 O ATOM 0 H TYR A 13 10.432 -3.243 -0.373 1.00 0.00 H new ATOM 0 HA TYR A 13 11.315 -5.936 0.312 1.00 0.00 H new ATOM 0 HB2 TYR A 13 12.954 -4.343 1.466 1.00 0.00 H new ATOM 0 HB3 TYR A 13 11.589 -3.666 2.333 1.00 0.00 H new ATOM 0 HD1 TYR A 13 12.799 -7.209 1.675 1.00 0.00 H new ATOM 0 HD2 TYR A 13 11.517 -4.302 4.551 1.00 0.00 H new ATOM 0 HE1 TYR A 13 13.457 -8.729 3.509 1.00 0.00 H new ATOM 0 HE2 TYR A 13 12.159 -5.830 6.378 1.00 0.00 H new ATOM 0 HH TYR A 13 14.266 -7.568 6.394 1.00 0.00 H new ATOM 207 N GLN A 14 9.077 -6.297 1.265 1.00 0.00 N ATOM 208 CA GLN A 14 7.728 -6.620 1.798 1.00 0.00 C ATOM 209 C GLN A 14 7.393 -6.131 3.237 1.00 0.00 C ATOM 210 O GLN A 14 6.308 -5.581 3.434 1.00 0.00 O ATOM 211 CB GLN A 14 7.396 -8.108 1.529 1.00 0.00 C ATOM 212 CG GLN A 14 7.960 -9.205 2.445 1.00 0.00 C ATOM 213 CD GLN A 14 9.469 -9.273 2.591 1.00 0.00 C ATOM 214 OE1 GLN A 14 10.036 -8.724 3.527 1.00 0.00 O ATOM 215 NE2 GLN A 14 10.173 -9.912 1.688 1.00 0.00 N ATOM 0 H GLN A 14 9.607 -7.120 0.979 1.00 0.00 H new ATOM 0 HA GLN A 14 7.036 -5.998 1.230 1.00 0.00 H new ATOM 0 HB2 GLN A 14 6.310 -8.204 1.541 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.725 -8.334 0.515 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.529 -9.072 3.437 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.612 -10.169 2.073 1.00 0.00 H new ATOM 0 HE21 GLN A 14 9.704 -10.371 0.907 1.00 0.00 H new ATOM 0 HE22 GLN A 14 11.189 -9.950 1.767 1.00 0.00 H new ATOM 224 N GLY A 15 8.311 -6.272 4.210 1.00 0.00 N ATOM 225 CA GLY A 15 8.189 -5.593 5.527 1.00 0.00 C ATOM 226 C GLY A 15 8.733 -4.146 5.607 1.00 0.00 C ATOM 227 O GLY A 15 9.551 -3.835 6.474 1.00 0.00 O ATOM 0 H GLY A 15 9.147 -6.848 4.116 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.136 -5.578 5.808 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.709 -6.195 6.272 1.00 0.00 H new ATOM 231 N ASN A 16 8.252 -3.281 4.710 1.00 0.00 N ATOM 232 CA ASN A 16 8.639 -1.849 4.619 1.00 0.00 C ATOM 233 C ASN A 16 7.638 -1.044 3.723 1.00 0.00 C ATOM 234 O ASN A 16 7.214 0.033 4.140 1.00 0.00 O ATOM 235 CB ASN A 16 10.105 -1.678 4.148 1.00 0.00 C ATOM 236 CG ASN A 16 10.698 -0.282 4.276 1.00 0.00 C ATOM 237 OD1 ASN A 16 10.289 0.549 5.079 1.00 0.00 O ATOM 238 ND2 ASN A 16 11.740 0.011 3.540 1.00 0.00 N ATOM 0 H ASN A 16 7.566 -3.552 4.005 1.00 0.00 H new ATOM 0 HA ASN A 16 8.581 -1.431 5.624 1.00 0.00 H new ATOM 0 HB2 ASN A 16 10.729 -2.368 4.716 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.166 -1.980 3.103 1.00 0.00 H new ATOM 0 HD21 ASN A 16 12.197 0.918 3.640 1.00 0.00 H new ATOM 0 HD22 ASN A 16 12.095 -0.667 2.866 1.00 0.00 H new ATOM 245 N LEU A 17 7.300 -1.526 2.514 1.00 0.00 N ATOM 246 CA LEU A 17 6.564 -0.723 1.505 1.00 0.00 C ATOM 247 C LEU A 17 5.025 -0.716 1.749 1.00 0.00 C ATOM 248 O LEU A 17 4.546 0.260 2.328 1.00 0.00 O ATOM 249 CB LEU A 17 7.029 -1.204 0.109 1.00 0.00 C ATOM 250 CG LEU A 17 8.326 -0.571 -0.457 1.00 0.00 C ATOM 251 CD1 LEU A 17 9.555 -0.581 0.450 1.00 0.00 C ATOM 252 CD2 LEU A 17 8.694 -1.289 -1.771 1.00 0.00 C ATOM 0 H LEU A 17 7.524 -2.472 2.205 1.00 0.00 H new ATOM 0 HA LEU A 17 6.804 0.337 1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.170 -2.284 0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.223 -1.016 -0.600 1.00 0.00 H new ATOM 0 HG LEU A 17 8.079 0.483 -0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.392 -0.109 -0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.336 -0.031 1.365 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.816 -1.610 0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.605 -0.853 -2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.855 -2.349 -1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.882 -1.173 -2.489 1.00 0.00 H new ATOM 264 N ILE A 18 4.250 -1.735 1.342 1.00 0.00 N ATOM 265 CA ILE A 18 2.760 -1.730 1.458 1.00 0.00 C ATOM 266 C ILE A 18 2.314 -2.774 2.516 1.00 0.00 C ATOM 267 O ILE A 18 1.998 -3.923 2.205 1.00 0.00 O ATOM 268 CB ILE A 18 2.154 -1.949 0.032 1.00 0.00 C ATOM 269 CG1 ILE A 18 2.397 -0.710 -0.882 1.00 0.00 C ATOM 270 CG2 ILE A 18 0.649 -2.299 -0.018 1.00 0.00 C ATOM 271 CD1 ILE A 18 1.675 0.563 -0.451 1.00 0.00 C ATOM 0 H ILE A 18 4.624 -2.587 0.924 1.00 0.00 H new ATOM 0 HA ILE A 18 2.382 -0.773 1.818 1.00 0.00 H new ATOM 0 HB ILE A 18 2.688 -2.827 -0.331 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.468 -0.508 -0.917 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.086 -0.960 -1.897 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.340 -2.428 -1.055 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.472 -3.224 0.531 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.073 -1.492 0.435 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.907 1.367 -1.149 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.599 0.387 -0.445 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.002 0.846 0.550 1.00 0.00 H new ATOM 283 N LYS A 19 2.263 -2.342 3.774 1.00 0.00 N ATOM 284 CA LYS A 19 1.563 -3.057 4.869 1.00 0.00 C ATOM 285 C LYS A 19 0.925 -1.910 5.750 1.00 0.00 C ATOM 286 O LYS A 19 1.549 -0.862 5.941 1.00 0.00 O ATOM 287 CB LYS A 19 2.455 -3.947 5.774 1.00 0.00 C ATOM 288 CG LYS A 19 3.657 -4.697 5.181 1.00 0.00 C ATOM 289 CD LYS A 19 3.472 -6.191 4.887 1.00 0.00 C ATOM 290 CE LYS A 19 2.854 -6.576 3.537 1.00 0.00 C ATOM 291 NZ LYS A 19 3.702 -6.118 2.402 1.00 0.00 N ATOM 0 H LYS A 19 2.708 -1.476 4.078 1.00 0.00 H new ATOM 0 HA LYS A 19 0.854 -3.756 4.425 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.834 -3.314 6.576 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.806 -4.691 6.235 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.940 -4.202 4.252 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.496 -4.589 5.868 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.448 -6.671 4.959 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.849 -6.614 5.675 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.730 -7.658 3.487 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.860 -6.137 3.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.599 -6.777 1.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.402 -5.167 2.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.697 -6.090 2.702 1.00 0.00 H new ATOM 305 N GLN A 20 -0.267 -2.108 6.318 1.00 0.00 N ATOM 306 CA GLN A 20 -1.001 -1.005 7.029 1.00 0.00 C ATOM 307 C GLN A 20 -0.239 -0.207 8.151 1.00 0.00 C ATOM 308 O GLN A 20 -0.402 1.013 8.210 1.00 0.00 O ATOM 309 CB GLN A 20 -2.363 -1.565 7.497 1.00 0.00 C ATOM 310 CG GLN A 20 -3.433 -0.512 7.866 1.00 0.00 C ATOM 311 CD GLN A 20 -3.971 0.305 6.696 1.00 0.00 C ATOM 312 OE1 GLN A 20 -4.782 -0.161 5.904 1.00 0.00 O ATOM 313 NE2 GLN A 20 -3.545 1.535 6.540 1.00 0.00 N ATOM 0 H GLN A 20 -0.757 -3.002 6.312 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.124 -0.209 6.295 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.764 -2.201 6.708 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.193 -2.203 8.365 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.268 -1.020 8.348 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.008 0.172 8.601 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.870 1.928 7.196 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.888 2.099 5.763 1.00 0.00 H new ATOM 322 N ASN A 21 0.613 -0.862 8.965 1.00 0.00 N ATOM 323 CA ASN A 21 1.646 -0.152 9.778 1.00 0.00 C ATOM 324 C ASN A 21 3.074 -0.040 9.133 1.00 0.00 C ATOM 325 O ASN A 21 3.809 0.850 9.555 1.00 0.00 O ATOM 326 CB ASN A 21 1.670 -0.773 11.199 1.00 0.00 C ATOM 327 CG ASN A 21 2.540 -0.036 12.222 1.00 0.00 C ATOM 328 OD1 ASN A 21 3.606 -0.506 12.601 1.00 0.00 O ATOM 329 ND2 ASN A 21 2.150 1.141 12.659 1.00 0.00 N ATOM 0 H ASN A 21 0.614 -1.875 9.083 1.00 0.00 H new ATOM 0 HA ASN A 21 1.343 0.894 9.828 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.649 -0.813 11.577 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.022 -1.802 11.122 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.735 1.662 13.313 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.263 1.534 12.344 1.00 0.00 H new ATOM 336 N ALA A 22 3.480 -0.843 8.129 1.00 0.00 N ATOM 337 CA ALA A 22 4.722 -0.544 7.354 1.00 0.00 C ATOM 338 C ALA A 22 4.707 0.749 6.479 1.00 0.00 C ATOM 339 O ALA A 22 5.744 1.402 6.386 1.00 0.00 O ATOM 340 CB ALA A 22 5.130 -1.759 6.525 1.00 0.00 C ATOM 0 H ALA A 22 2.987 -1.686 7.834 1.00 0.00 H new ATOM 0 HA ALA A 22 5.470 -0.325 8.116 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.036 -1.529 5.965 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.317 -2.605 7.187 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.328 -2.012 5.831 1.00 0.00 H new ATOM 346 N VAL A 23 3.554 1.170 5.928 1.00 0.00 N ATOM 347 CA VAL A 23 3.382 2.550 5.387 1.00 0.00 C ATOM 348 C VAL A 23 3.575 3.691 6.463 1.00 0.00 C ATOM 349 O VAL A 23 4.131 4.731 6.114 1.00 0.00 O ATOM 350 CB VAL A 23 2.029 2.727 4.619 1.00 0.00 C ATOM 351 CG1 VAL A 23 1.988 4.093 3.889 1.00 0.00 C ATOM 352 CG2 VAL A 23 1.749 1.659 3.540 1.00 0.00 C ATOM 0 H VAL A 23 2.724 0.584 5.841 1.00 0.00 H new ATOM 0 HA VAL A 23 4.195 2.666 4.670 1.00 0.00 H new ATOM 0 HB VAL A 23 1.274 2.639 5.401 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.039 4.195 3.362 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.087 4.898 4.617 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.809 4.148 3.174 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.791 1.866 3.064 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.540 1.683 2.790 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.719 0.673 4.003 1.00 0.00 H new ATOM 362 N GLU A 24 3.184 3.498 7.734 1.00 0.00 N ATOM 363 CA GLU A 24 3.723 4.320 8.859 1.00 0.00 C ATOM 364 C GLU A 24 5.255 4.131 9.113 1.00 0.00 C ATOM 365 O GLU A 24 6.000 5.112 9.078 1.00 0.00 O ATOM 366 CB GLU A 24 2.815 4.066 10.084 1.00 0.00 C ATOM 367 CG GLU A 24 3.072 4.931 11.332 1.00 0.00 C ATOM 368 CD GLU A 24 4.215 4.475 12.226 1.00 0.00 C ATOM 369 OE1 GLU A 24 4.086 3.418 12.882 1.00 0.00 O ATOM 370 OE2 GLU A 24 5.254 5.168 12.279 1.00 0.00 O ATOM 0 H GLU A 24 2.505 2.792 8.018 1.00 0.00 H new ATOM 0 HA GLU A 24 3.684 5.379 8.603 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.780 4.214 9.776 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.916 3.019 10.370 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.273 5.952 11.009 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.159 4.959 11.927 1.00 0.00 H new ATOM 377 N GLN A 25 5.717 2.891 9.334 1.00 0.00 N ATOM 378 CA GLN A 25 7.112 2.592 9.746 1.00 0.00 C ATOM 379 C GLN A 25 8.231 2.713 8.659 1.00 0.00 C ATOM 380 O GLN A 25 9.409 2.709 9.030 1.00 0.00 O ATOM 381 CB GLN A 25 7.150 1.186 10.404 1.00 0.00 C ATOM 382 CG GLN A 25 6.484 1.083 11.795 1.00 0.00 C ATOM 383 CD GLN A 25 7.281 1.717 12.926 1.00 0.00 C ATOM 384 OE1 GLN A 25 8.415 1.339 13.206 1.00 0.00 O ATOM 385 NE2 GLN A 25 6.740 2.690 13.615 1.00 0.00 N ATOM 0 H GLN A 25 5.137 2.058 9.234 1.00 0.00 H new ATOM 0 HA GLN A 25 7.366 3.390 10.444 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.663 0.477 9.734 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.191 0.875 10.495 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.503 1.556 11.750 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.320 0.031 12.028 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.798 3.012 13.391 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.260 3.126 14.376 1.00 0.00 H new ATOM 394 N LEU A 26 7.924 2.897 7.365 1.00 0.00 N ATOM 395 CA LEU A 26 8.819 3.637 6.429 1.00 0.00 C ATOM 396 C LEU A 26 9.244 5.072 6.865 1.00 0.00 C ATOM 397 O LEU A 26 10.408 5.431 6.687 1.00 0.00 O ATOM 398 CB LEU A 26 8.306 3.521 4.973 1.00 0.00 C ATOM 399 CG LEU A 26 6.959 4.141 4.571 1.00 0.00 C ATOM 400 CD1 LEU A 26 6.953 5.651 4.306 1.00 0.00 C ATOM 401 CD2 LEU A 26 6.465 3.475 3.268 1.00 0.00 C ATOM 0 H LEU A 26 7.068 2.549 6.934 1.00 0.00 H new ATOM 0 HA LEU A 26 9.781 3.127 6.478 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.067 3.959 4.327 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.256 2.459 4.733 1.00 0.00 H new ATOM 0 HG LEU A 26 6.323 3.968 5.439 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.947 5.968 4.031 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.267 6.180 5.206 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.641 5.880 3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.509 3.910 2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.195 3.640 2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.342 2.404 3.431 1.00 0.00 H new ATOM 413 N GLN A 27 8.310 5.843 7.453 1.00 0.00 N ATOM 414 CA GLN A 27 8.571 7.144 8.133 1.00 0.00 C ATOM 415 C GLN A 27 9.426 8.194 7.357 1.00 0.00 C ATOM 416 O GLN A 27 10.405 8.746 7.864 1.00 0.00 O ATOM 417 CB GLN A 27 8.986 6.827 9.593 1.00 0.00 C ATOM 418 CG GLN A 27 8.511 7.871 10.623 1.00 0.00 C ATOM 419 CD GLN A 27 8.744 7.437 12.067 1.00 0.00 C ATOM 420 OE1 GLN A 27 9.748 7.775 12.684 1.00 0.00 O ATOM 421 NE2 GLN A 27 7.847 6.689 12.670 1.00 0.00 N ATOM 0 H GLN A 27 7.325 5.579 7.474 1.00 0.00 H new ATOM 0 HA GLN A 27 7.649 7.726 8.150 1.00 0.00 H new ATOM 0 HB2 GLN A 27 8.586 5.851 9.869 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.072 6.752 9.642 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.032 8.812 10.444 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.448 8.062 10.474 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.006 6.399 12.171 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.992 6.399 13.637 1.00 0.00 H new ATOM 430 N VAL A 28 9.015 8.455 6.106 1.00 0.00 N ATOM 431 CA VAL A 28 9.787 9.280 5.136 1.00 0.00 C ATOM 432 C VAL A 28 9.215 10.737 5.134 1.00 0.00 C ATOM 433 O VAL A 28 8.009 10.930 4.972 1.00 0.00 O ATOM 434 CB VAL A 28 9.701 8.627 3.705 1.00 0.00 C ATOM 435 CG1 VAL A 28 10.421 9.453 2.611 1.00 0.00 C ATOM 436 CG2 VAL A 28 10.317 7.207 3.641 1.00 0.00 C ATOM 0 H VAL A 28 8.136 8.103 5.728 1.00 0.00 H new ATOM 0 HA VAL A 28 10.837 9.322 5.425 1.00 0.00 H new ATOM 0 HB VAL A 28 8.628 8.590 3.517 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.324 8.948 1.650 1.00 0.00 H new ATOM 0 HG12 VAL A 28 9.970 10.443 2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.477 9.550 2.864 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.224 6.816 2.628 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.370 7.255 3.917 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.790 6.550 4.333 1.00 0.00 H new ATOM 446 N GLY A 29 10.098 11.739 5.240 1.00 0.00 N ATOM 447 CA GLY A 29 9.735 13.164 5.027 1.00 0.00 C ATOM 448 C GLY A 29 10.695 13.889 4.068 1.00 0.00 C ATOM 449 O GLY A 29 11.415 14.793 4.492 1.00 0.00 O ATOM 0 H GLY A 29 11.080 11.596 5.474 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.722 13.220 4.630 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.730 13.680 5.987 1.00 0.00 H new ATOM 453 N GLN A 30 10.713 13.472 2.790 1.00 0.00 N ATOM 454 CA GLN A 30 11.813 13.833 1.849 1.00 0.00 C ATOM 455 C GLN A 30 11.324 14.143 0.402 1.00 0.00 C ATOM 456 O GLN A 30 11.617 15.233 -0.093 1.00 0.00 O ATOM 457 CB GLN A 30 12.873 12.695 1.907 1.00 0.00 C ATOM 458 CG GLN A 30 14.179 12.994 1.143 1.00 0.00 C ATOM 459 CD GLN A 30 15.154 11.823 1.160 1.00 0.00 C ATOM 460 OE1 GLN A 30 15.056 10.888 0.372 1.00 0.00 O ATOM 461 NE2 GLN A 30 16.122 11.823 2.044 1.00 0.00 N ATOM 0 H GLN A 30 9.987 12.887 2.377 1.00 0.00 H new ATOM 0 HA GLN A 30 12.263 14.774 2.166 1.00 0.00 H new ATOM 0 HB2 GLN A 30 13.116 12.495 2.951 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.431 11.784 1.503 1.00 0.00 H new ATOM 0 HG2 GLN A 30 13.940 13.247 0.110 1.00 0.00 H new ATOM 0 HG3 GLN A 30 14.660 13.868 1.583 1.00 0.00 H new ATOM 0 HE21 GLN A 30 16.211 12.596 2.703 1.00 0.00 H new ATOM 0 HE22 GLN A 30 16.786 11.050 2.073 1.00 0.00 H new ATOM 470 N SER A 31 10.669 13.192 -0.290 1.00 0.00 N ATOM 471 CA SER A 31 10.430 13.291 -1.755 1.00 0.00 C ATOM 472 C SER A 31 9.124 12.567 -2.185 1.00 0.00 C ATOM 473 O SER A 31 8.900 11.396 -1.858 1.00 0.00 O ATOM 474 CB SER A 31 11.665 12.727 -2.505 1.00 0.00 C ATOM 475 OG SER A 31 11.456 12.662 -3.917 1.00 0.00 O ATOM 0 H SER A 31 10.293 12.344 0.135 1.00 0.00 H new ATOM 0 HA SER A 31 10.294 14.340 -2.018 1.00 0.00 H new ATOM 0 HB2 SER A 31 12.532 13.354 -2.296 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.894 11.731 -2.127 1.00 0.00 H new ATOM 0 HG SER A 31 11.527 13.561 -4.300 1.00 0.00 H new ATOM 481 N LYS A 32 8.297 13.277 -2.971 1.00 0.00 N ATOM 482 CA LYS A 32 7.008 12.756 -3.498 1.00 0.00 C ATOM 483 C LYS A 32 7.086 11.578 -4.493 1.00 0.00 C ATOM 484 O LYS A 32 6.376 10.587 -4.308 1.00 0.00 O ATOM 485 CB LYS A 32 6.111 13.925 -3.973 1.00 0.00 C ATOM 486 CG LYS A 32 6.497 14.698 -5.249 1.00 0.00 C ATOM 487 CD LYS A 32 5.809 16.086 -5.271 1.00 0.00 C ATOM 488 CE LYS A 32 6.409 17.021 -6.335 1.00 0.00 C ATOM 489 NZ LYS A 32 6.095 18.442 -5.996 1.00 0.00 N ATOM 0 H LYS A 32 8.498 14.233 -3.264 1.00 0.00 H new ATOM 0 HA LYS A 32 6.527 12.269 -2.649 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.106 13.529 -4.121 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.053 14.646 -3.158 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.579 14.821 -5.293 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.205 14.127 -6.130 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.744 15.957 -5.463 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.902 16.550 -4.289 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.489 16.880 -6.389 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.006 16.775 -7.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.587 19.074 -6.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.069 18.597 -6.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.410 18.645 -5.026 1.00 0.00 H new ATOM 503 N GLN A 33 7.958 11.659 -5.506 1.00 0.00 N ATOM 504 CA GLN A 33 8.228 10.519 -6.416 1.00 0.00 C ATOM 505 C GLN A 33 8.930 9.289 -5.775 1.00 0.00 C ATOM 506 O GLN A 33 8.542 8.166 -6.090 1.00 0.00 O ATOM 507 CB GLN A 33 8.971 11.088 -7.642 1.00 0.00 C ATOM 508 CG GLN A 33 9.260 10.080 -8.771 1.00 0.00 C ATOM 509 CD GLN A 33 8.049 9.470 -9.469 1.00 0.00 C ATOM 510 OE1 GLN A 33 6.942 10.007 -9.506 1.00 0.00 O ATOM 511 NE2 GLN A 33 8.213 8.312 -10.057 1.00 0.00 N ATOM 0 H GLN A 33 8.493 12.500 -5.723 1.00 0.00 H new ATOM 0 HA GLN A 33 7.274 10.080 -6.709 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.382 11.908 -8.053 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.917 11.512 -7.307 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.872 10.578 -9.523 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.860 9.269 -8.358 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.124 7.854 -10.036 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.430 7.868 -10.537 1.00 0.00 H new ATOM 520 N GLN A 34 9.917 9.483 -4.892 1.00 0.00 N ATOM 521 CA GLN A 34 10.562 8.375 -4.140 1.00 0.00 C ATOM 522 C GLN A 34 9.587 7.562 -3.228 1.00 0.00 C ATOM 523 O GLN A 34 9.544 6.337 -3.358 1.00 0.00 O ATOM 524 CB GLN A 34 11.758 8.901 -3.308 1.00 0.00 C ATOM 525 CG GLN A 34 12.945 9.486 -4.099 1.00 0.00 C ATOM 526 CD GLN A 34 13.719 8.489 -4.945 1.00 0.00 C ATOM 527 OE1 GLN A 34 13.372 8.195 -6.084 1.00 0.00 O ATOM 528 NE2 GLN A 34 14.788 7.927 -4.433 1.00 0.00 N ATOM 0 H GLN A 34 10.297 10.404 -4.672 1.00 0.00 H new ATOM 0 HA GLN A 34 10.915 7.677 -4.899 1.00 0.00 H new ATOM 0 HB2 GLN A 34 11.389 9.670 -2.629 1.00 0.00 H new ATOM 0 HB3 GLN A 34 12.130 8.083 -2.691 1.00 0.00 H new ATOM 0 HG2 GLN A 34 12.572 10.276 -4.750 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.634 9.952 -3.395 1.00 0.00 H new ATOM 0 HE21 GLN A 34 15.085 8.164 -3.487 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.322 7.253 -4.981 1.00 0.00 H new ATOM 537 N VAL A 35 8.777 8.219 -2.374 1.00 0.00 N ATOM 538 CA VAL A 35 7.688 7.519 -1.623 1.00 0.00 C ATOM 539 C VAL A 35 6.576 6.876 -2.512 1.00 0.00 C ATOM 540 O VAL A 35 6.192 5.735 -2.252 1.00 0.00 O ATOM 541 CB VAL A 35 7.181 8.422 -0.460 1.00 0.00 C ATOM 542 CG1 VAL A 35 6.248 9.567 -0.879 1.00 0.00 C ATOM 543 CG2 VAL A 35 6.482 7.598 0.640 1.00 0.00 C ATOM 0 H VAL A 35 8.845 9.218 -2.181 1.00 0.00 H new ATOM 0 HA VAL A 35 8.122 6.628 -1.169 1.00 0.00 H new ATOM 0 HB VAL A 35 8.094 8.880 -0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.951 10.136 0.002 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.768 10.224 -1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.361 9.156 -1.361 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.143 8.264 1.433 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.626 7.075 0.214 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.183 6.872 1.051 1.00 0.00 H new ATOM 553 N SER A 36 6.111 7.565 -3.567 1.00 0.00 N ATOM 554 CA SER A 36 5.166 6.984 -4.557 1.00 0.00 C ATOM 555 C SER A 36 5.713 5.803 -5.409 1.00 0.00 C ATOM 556 O SER A 36 5.004 4.809 -5.558 1.00 0.00 O ATOM 557 CB SER A 36 4.636 8.158 -5.412 1.00 0.00 C ATOM 558 OG SER A 36 3.402 7.853 -6.053 1.00 0.00 O ATOM 0 H SER A 36 6.371 8.531 -3.764 1.00 0.00 H new ATOM 0 HA SER A 36 4.359 6.494 -4.012 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.505 9.035 -4.778 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.379 8.418 -6.166 1.00 0.00 H new ATOM 0 HG SER A 36 3.573 7.306 -6.848 1.00 0.00 H new ATOM 564 N ALA A 37 6.965 5.851 -5.890 1.00 0.00 N ATOM 565 CA ALA A 37 7.648 4.678 -6.495 1.00 0.00 C ATOM 566 C ALA A 37 7.875 3.447 -5.559 1.00 0.00 C ATOM 567 O ALA A 37 7.645 2.318 -5.998 1.00 0.00 O ATOM 568 CB ALA A 37 8.972 5.181 -7.089 1.00 0.00 C ATOM 0 H ALA A 37 7.537 6.695 -5.875 1.00 0.00 H new ATOM 0 HA ALA A 37 6.977 4.275 -7.253 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.506 4.347 -7.545 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.767 5.938 -7.846 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.584 5.615 -6.298 1.00 0.00 H new ATOM 574 N LEU A 38 8.264 3.664 -4.290 1.00 0.00 N ATOM 575 CA LEU A 38 8.241 2.607 -3.239 1.00 0.00 C ATOM 576 C LEU A 38 6.823 1.999 -2.954 1.00 0.00 C ATOM 577 O LEU A 38 6.649 0.784 -3.039 1.00 0.00 O ATOM 578 CB LEU A 38 8.880 3.168 -1.935 1.00 0.00 C ATOM 579 CG LEU A 38 10.378 2.866 -1.719 1.00 0.00 C ATOM 580 CD1 LEU A 38 11.302 3.523 -2.745 1.00 0.00 C ATOM 581 CD2 LEU A 38 10.771 3.347 -0.307 1.00 0.00 C ATOM 0 H LEU A 38 8.602 4.567 -3.956 1.00 0.00 H new ATOM 0 HA LEU A 38 8.826 1.772 -3.624 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.745 4.250 -1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.326 2.771 -1.085 1.00 0.00 H new ATOM 0 HG LEU A 38 10.506 1.790 -1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 38 12.337 3.261 -2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.045 3.171 -3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.184 4.606 -2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.828 3.143 -0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.591 4.419 -0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.173 2.820 0.436 1.00 0.00 H new ATOM 593 N LEU A 39 5.833 2.838 -2.648 1.00 0.00 N ATOM 594 CA LEU A 39 4.419 2.404 -2.477 1.00 0.00 C ATOM 595 C LEU A 39 3.647 1.880 -3.754 1.00 0.00 C ATOM 596 O LEU A 39 2.591 1.259 -3.624 1.00 0.00 O ATOM 597 CB LEU A 39 3.669 3.623 -1.888 1.00 0.00 C ATOM 598 CG LEU A 39 4.038 4.031 -0.438 1.00 0.00 C ATOM 599 CD1 LEU A 39 3.331 5.358 -0.114 1.00 0.00 C ATOM 600 CD2 LEU A 39 3.627 2.991 0.601 1.00 0.00 C ATOM 0 H LEU A 39 5.973 3.839 -2.509 1.00 0.00 H new ATOM 0 HA LEU A 39 4.446 1.522 -1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.847 4.479 -2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.600 3.414 -1.921 1.00 0.00 H new ATOM 0 HG LEU A 39 5.123 4.123 -0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.578 5.663 0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.661 6.126 -0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.253 5.227 -0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.913 3.336 1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.547 2.847 0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.127 2.046 0.387 1.00 0.00 H new ATOM 612 N GLY A 40 4.163 2.160 -4.947 1.00 0.00 N ATOM 613 CA GLY A 40 3.718 1.535 -6.212 1.00 0.00 C ATOM 614 C GLY A 40 2.771 2.392 -7.052 1.00 0.00 C ATOM 615 O GLY A 40 1.602 2.043 -7.239 1.00 0.00 O ATOM 0 H GLY A 40 4.915 2.837 -5.076 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.596 1.295 -6.811 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.223 0.592 -5.980 1.00 0.00 H new ATOM 619 N THR A 41 3.239 3.560 -7.505 1.00 0.00 N ATOM 620 CA THR A 41 2.351 4.631 -8.044 1.00 0.00 C ATOM 621 C THR A 41 3.219 5.706 -8.790 1.00 0.00 C ATOM 622 O THR A 41 4.253 6.117 -8.251 1.00 0.00 O ATOM 623 CB THR A 41 1.539 5.292 -6.879 1.00 0.00 C ATOM 624 OG1 THR A 41 0.735 4.322 -6.217 1.00 0.00 O ATOM 625 CG2 THR A 41 0.575 6.391 -7.302 1.00 0.00 C ATOM 0 H THR A 41 4.230 3.802 -7.515 1.00 0.00 H new ATOM 0 HA THR A 41 1.645 4.195 -8.751 1.00 0.00 H new ATOM 0 HB THR A 41 2.313 5.726 -6.246 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.737 3.488 -6.732 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.062 6.783 -6.424 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.129 7.194 -7.788 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.158 5.984 -7.998 1.00 0.00 H new ATOM 633 N PRO A 42 2.826 6.257 -9.967 1.00 0.00 N ATOM 634 CA PRO A 42 3.406 7.542 -10.475 1.00 0.00 C ATOM 635 C PRO A 42 2.851 8.787 -9.721 1.00 0.00 C ATOM 636 O PRO A 42 1.639 8.896 -9.488 1.00 0.00 O ATOM 637 CB PRO A 42 2.985 7.491 -11.966 1.00 0.00 C ATOM 638 CG PRO A 42 1.620 6.760 -11.955 1.00 0.00 C ATOM 639 CD PRO A 42 1.759 5.714 -10.834 1.00 0.00 C ATOM 0 HA PRO A 42 4.482 7.639 -10.328 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.897 8.492 -12.389 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.718 6.955 -12.568 1.00 0.00 H new ATOM 0 HG2 PRO A 42 0.800 7.450 -11.756 1.00 0.00 H new ATOM 0 HG3 PRO A 42 1.413 6.289 -12.916 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.825 5.590 -10.286 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.028 4.736 -11.232 1.00 0.00 H new ATOM 647 N SER A 43 3.740 9.720 -9.346 1.00 0.00 N ATOM 648 CA SER A 43 3.356 10.923 -8.553 1.00 0.00 C ATOM 649 C SER A 43 2.670 12.037 -9.408 1.00 0.00 C ATOM 650 O SER A 43 1.748 11.738 -10.172 1.00 0.00 O ATOM 651 CB SER A 43 4.578 11.338 -7.689 1.00 0.00 C ATOM 652 OG SER A 43 5.644 11.909 -8.447 1.00 0.00 O ATOM 0 H SER A 43 4.733 9.674 -9.574 1.00 0.00 H new ATOM 0 HA SER A 43 2.550 10.692 -7.857 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.253 12.056 -6.936 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.950 10.463 -7.156 1.00 0.00 H new ATOM 0 HG SER A 43 5.961 11.258 -9.107 1.00 0.00 H new ATOM 658 N ILE A 44 3.069 13.311 -9.271 1.00 0.00 N ATOM 659 CA ILE A 44 2.511 14.425 -10.090 1.00 0.00 C ATOM 660 C ILE A 44 3.741 15.122 -10.768 1.00 0.00 C ATOM 661 O ILE A 44 4.347 15.988 -10.127 1.00 0.00 O ATOM 662 CB ILE A 44 1.601 15.401 -9.251 1.00 0.00 C ATOM 663 CG1 ILE A 44 0.367 14.660 -8.654 1.00 0.00 C ATOM 664 CG2 ILE A 44 1.094 16.570 -10.137 1.00 0.00 C ATOM 665 CD1 ILE A 44 -0.445 15.481 -7.653 1.00 0.00 C ATOM 0 H ILE A 44 3.778 13.607 -8.601 1.00 0.00 H new ATOM 0 HA ILE A 44 1.827 14.053 -10.853 1.00 0.00 H new ATOM 0 HB ILE A 44 2.213 15.787 -8.436 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.288 14.356 -9.471 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.709 13.749 -8.164 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.467 17.233 -9.541 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.946 17.128 -10.526 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.512 16.171 -10.968 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.283 14.886 -7.290 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.190 15.763 -6.813 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.822 16.380 -8.141 1.00 0.00 H new ATOM 677 N PRO A 45 4.137 14.810 -12.034 1.00 0.00 N ATOM 678 CA PRO A 45 5.284 15.508 -12.707 1.00 0.00 C ATOM 679 C PRO A 45 4.882 16.830 -13.424 1.00 0.00 C ATOM 680 O PRO A 45 4.937 16.945 -14.651 1.00 0.00 O ATOM 681 CB PRO A 45 5.797 14.379 -13.640 1.00 0.00 C ATOM 682 CG PRO A 45 4.520 13.612 -14.056 1.00 0.00 C ATOM 683 CD PRO A 45 3.646 13.636 -12.791 1.00 0.00 C ATOM 0 HA PRO A 45 6.048 15.887 -12.029 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.316 14.786 -14.508 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.502 13.727 -13.124 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.020 14.094 -14.896 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.749 12.592 -14.364 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.589 13.735 -13.039 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.754 12.717 -12.215 1.00 0.00 H new ATOM 691 N ASP A 46 4.507 17.831 -12.617 1.00 0.00 N ATOM 692 CA ASP A 46 4.101 19.169 -13.100 1.00 0.00 C ATOM 693 C ASP A 46 5.169 20.238 -12.693 1.00 0.00 C ATOM 694 O ASP A 46 5.374 20.441 -11.489 1.00 0.00 O ATOM 695 CB ASP A 46 2.686 19.491 -12.556 1.00 0.00 C ATOM 696 CG ASP A 46 2.139 20.868 -12.938 1.00 0.00 C ATOM 697 OD1 ASP A 46 2.454 21.380 -14.034 1.00 0.00 O ATOM 698 OD2 ASP A 46 1.433 21.479 -12.108 1.00 0.00 O ATOM 0 H ASP A 46 4.475 17.740 -11.602 1.00 0.00 H new ATOM 0 HA ASP A 46 4.050 19.185 -14.189 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.994 18.730 -12.916 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.706 19.414 -11.469 1.00 0.00 H new ATOM 703 N PRO A 47 5.809 20.996 -13.623 1.00 0.00 N ATOM 704 CA PRO A 47 6.556 22.240 -13.257 1.00 0.00 C ATOM 705 C PRO A 47 5.726 23.497 -12.850 1.00 0.00 C ATOM 706 O PRO A 47 6.335 24.451 -12.360 1.00 0.00 O ATOM 707 CB PRO A 47 7.396 22.466 -14.542 1.00 0.00 C ATOM 708 CG PRO A 47 6.483 21.974 -15.689 1.00 0.00 C ATOM 709 CD PRO A 47 5.730 20.776 -15.084 1.00 0.00 C ATOM 0 HA PRO A 47 7.115 22.103 -12.331 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.658 23.517 -14.666 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.330 21.906 -14.510 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.795 22.755 -16.013 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.065 21.679 -16.562 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.696 20.742 -15.426 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.191 19.831 -15.370 1.00 0.00 H new ATOM 717 N PHE A 48 4.390 23.519 -13.016 1.00 0.00 N ATOM 718 CA PHE A 48 3.528 24.627 -12.531 1.00 0.00 C ATOM 719 C PHE A 48 3.264 24.510 -11.002 1.00 0.00 C ATOM 720 O PHE A 48 3.775 25.352 -10.260 1.00 0.00 O ATOM 721 CB PHE A 48 2.273 24.665 -13.438 1.00 0.00 C ATOM 722 CG PHE A 48 1.509 26.005 -13.521 1.00 0.00 C ATOM 723 CD1 PHE A 48 1.149 26.748 -12.380 1.00 0.00 C ATOM 724 CD2 PHE A 48 1.120 26.495 -14.778 1.00 0.00 C ATOM 725 CE1 PHE A 48 0.436 27.943 -12.496 1.00 0.00 C ATOM 726 CE2 PHE A 48 0.406 27.690 -14.895 1.00 0.00 C ATOM 727 CZ PHE A 48 0.066 28.411 -13.753 1.00 0.00 C ATOM 0 H PHE A 48 3.874 22.776 -13.487 1.00 0.00 H new ATOM 0 HA PHE A 48 4.015 25.598 -12.617 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.575 24.384 -14.447 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.579 23.900 -13.089 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.429 26.388 -11.401 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.377 25.940 -15.668 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.172 28.503 -11.611 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.118 28.054 -15.870 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.486 29.335 -13.843 1.00 0.00 H new ATOM 737 N HIS A 49 2.474 23.529 -10.516 1.00 0.00 N ATOM 738 CA HIS A 49 2.214 23.371 -9.057 1.00 0.00 C ATOM 739 C HIS A 49 1.880 21.885 -8.712 1.00 0.00 C ATOM 740 O HIS A 49 0.715 21.510 -8.538 1.00 0.00 O ATOM 741 CB HIS A 49 1.115 24.380 -8.640 1.00 0.00 C ATOM 742 CG HIS A 49 0.927 24.649 -7.133 1.00 0.00 C ATOM 743 ND1 HIS A 49 -0.046 25.524 -6.693 1.00 0.00 N ATOM 744 CD2 HIS A 49 1.627 24.134 -6.008 1.00 0.00 C ATOM 745 CE1 HIS A 49 0.144 25.456 -5.340 1.00 0.00 C ATOM 746 NE2 HIS A 49 1.121 24.645 -4.827 1.00 0.00 N ATOM 0 H HIS A 49 2.006 22.837 -11.101 1.00 0.00 H new ATOM 0 HA HIS A 49 3.106 23.602 -8.475 1.00 0.00 H new ATOM 0 HB2 HIS A 49 1.330 25.331 -9.127 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.165 24.026 -9.039 1.00 0.00 H new ATOM 0 HD2 HIS A 49 2.448 23.434 -6.068 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -0.476 26.041 -4.677 1.00 0.00 H new ATOM 0 HE2 HIS A 49 1.394 24.470 -3.860 1.00 0.00 H new ATOM 754 N ALA A 50 2.928 21.061 -8.546 1.00 0.00 N ATOM 755 CA ALA A 50 2.778 19.626 -8.214 1.00 0.00 C ATOM 756 C ALA A 50 2.564 19.353 -6.692 1.00 0.00 C ATOM 757 O ALA A 50 3.500 19.417 -5.888 1.00 0.00 O ATOM 758 CB ALA A 50 4.044 18.953 -8.751 1.00 0.00 C ATOM 0 H ALA A 50 3.898 21.363 -8.636 1.00 0.00 H new ATOM 0 HA ALA A 50 1.875 19.221 -8.671 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.005 17.884 -8.541 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.110 19.109 -9.828 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.919 19.386 -8.267 1.00 0.00 H new ATOM 764 N GLN A 51 1.314 19.056 -6.326 1.00 0.00 N ATOM 765 CA GLN A 51 0.840 19.102 -4.908 1.00 0.00 C ATOM 766 C GLN A 51 0.721 17.677 -4.247 1.00 0.00 C ATOM 767 O GLN A 51 1.346 16.712 -4.694 1.00 0.00 O ATOM 768 CB GLN A 51 -0.521 19.867 -4.982 1.00 0.00 C ATOM 769 CG GLN A 51 -0.404 21.374 -5.284 1.00 0.00 C ATOM 770 CD GLN A 51 -1.708 21.970 -5.792 1.00 0.00 C ATOM 771 OE1 GLN A 51 -2.687 22.107 -5.065 1.00 0.00 O ATOM 772 NE2 GLN A 51 -1.778 22.304 -7.058 1.00 0.00 N ATOM 0 H GLN A 51 0.591 18.776 -6.989 1.00 0.00 H new ATOM 0 HA GLN A 51 1.553 19.607 -4.256 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.140 19.404 -5.751 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.044 19.741 -4.034 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.096 21.899 -4.380 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.378 21.533 -6.027 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.964 22.190 -7.661 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.647 22.678 -7.439 1.00 0.00 H new ATOM 781 N ARG A 52 -0.073 17.567 -3.164 1.00 0.00 N ATOM 782 CA ARG A 52 -0.583 16.288 -2.601 1.00 0.00 C ATOM 783 C ARG A 52 -1.027 15.171 -3.604 1.00 0.00 C ATOM 784 O ARG A 52 -1.601 15.458 -4.656 1.00 0.00 O ATOM 785 CB ARG A 52 -1.741 16.645 -1.612 1.00 0.00 C ATOM 786 CG ARG A 52 -3.155 16.919 -2.150 1.00 0.00 C ATOM 787 CD ARG A 52 -3.348 18.135 -3.061 1.00 0.00 C ATOM 788 NE ARG A 52 -4.747 18.097 -3.543 1.00 0.00 N ATOM 789 CZ ARG A 52 -5.221 18.748 -4.592 1.00 0.00 C ATOM 790 NH1 ARG A 52 -4.665 19.809 -5.117 1.00 0.00 N ATOM 791 NH2 ARG A 52 -6.319 18.289 -5.112 1.00 0.00 N ATOM 0 H ARG A 52 -0.389 18.382 -2.639 1.00 0.00 H new ATOM 0 HA ARG A 52 0.272 15.818 -2.115 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.820 15.827 -0.896 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.430 17.528 -1.054 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.483 16.035 -2.697 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.823 17.031 -1.296 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.152 19.059 -2.517 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.651 18.104 -3.898 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.403 17.518 -3.020 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.807 20.187 -4.715 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.089 20.259 -5.928 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.769 17.467 -4.710 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.731 18.751 -5.923 1.00 0.00 H new ATOM 805 N TRP A 53 -0.824 13.908 -3.220 1.00 0.00 N ATOM 806 CA TRP A 53 -1.405 12.734 -3.947 1.00 0.00 C ATOM 807 C TRP A 53 -2.740 12.380 -3.258 1.00 0.00 C ATOM 808 O TRP A 53 -2.742 11.643 -2.274 1.00 0.00 O ATOM 809 CB TRP A 53 -0.304 11.657 -3.951 1.00 0.00 C ATOM 810 CG TRP A 53 -0.599 10.130 -4.124 1.00 0.00 C ATOM 811 CD1 TRP A 53 -1.806 9.446 -4.474 1.00 0.00 C ATOM 812 CD2 TRP A 53 0.289 9.100 -3.800 1.00 0.00 C ATOM 813 NE1 TRP A 53 -1.680 8.049 -4.378 1.00 0.00 N ATOM 814 CE2 TRP A 53 -0.389 7.856 -3.938 1.00 0.00 C ATOM 815 CE3 TRP A 53 1.619 9.129 -3.264 1.00 0.00 C ATOM 816 CZ2 TRP A 53 0.254 6.648 -3.533 1.00 0.00 C ATOM 817 CZ3 TRP A 53 2.203 7.941 -2.848 1.00 0.00 C ATOM 818 CH2 TRP A 53 1.532 6.714 -2.989 1.00 0.00 C ATOM 0 H TRP A 53 -0.262 13.653 -2.408 1.00 0.00 H new ATOM 0 HA TRP A 53 -1.672 12.897 -4.991 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.390 11.929 -4.746 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.234 11.762 -3.009 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -2.713 9.947 -4.778 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.384 7.341 -4.586 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.158 10.062 -3.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -0.245 5.697 -3.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 3.189 7.959 -2.409 1.00 0.00 H new ATOM 0 HH2 TRP A 53 2.019 5.805 -2.669 1.00 0.00 H new ATOM 829 N ASP A 54 -3.850 12.906 -3.786 1.00 0.00 N ATOM 830 CA ASP A 54 -5.225 12.644 -3.272 1.00 0.00 C ATOM 831 C ASP A 54 -6.140 11.840 -4.254 1.00 0.00 C ATOM 832 O ASP A 54 -7.316 12.161 -4.449 1.00 0.00 O ATOM 833 CB ASP A 54 -5.809 14.002 -2.818 1.00 0.00 C ATOM 834 CG ASP A 54 -6.021 15.123 -3.827 1.00 0.00 C ATOM 835 OD1 ASP A 54 -5.472 15.095 -4.946 1.00 0.00 O ATOM 836 OD2 ASP A 54 -6.671 16.127 -3.460 1.00 0.00 O ATOM 0 H ASP A 54 -3.834 13.533 -4.590 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.174 11.966 -2.420 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.774 13.799 -2.353 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.155 14.390 -2.037 1.00 0.00 H new ATOM 841 N TYR A 55 -5.603 10.758 -4.842 1.00 0.00 N ATOM 842 CA TYR A 55 -6.232 10.064 -5.986 1.00 0.00 C ATOM 843 C TYR A 55 -6.491 8.563 -5.689 1.00 0.00 C ATOM 844 O TYR A 55 -5.647 7.688 -5.916 1.00 0.00 O ATOM 845 CB TYR A 55 -5.508 10.375 -7.317 1.00 0.00 C ATOM 846 CG TYR A 55 -3.984 10.315 -7.447 1.00 0.00 C ATOM 847 CD1 TYR A 55 -3.317 9.151 -7.867 1.00 0.00 C ATOM 848 CD2 TYR A 55 -3.231 11.482 -7.247 1.00 0.00 C ATOM 849 CE1 TYR A 55 -1.931 9.157 -8.071 1.00 0.00 C ATOM 850 CE2 TYR A 55 -1.851 11.485 -7.450 1.00 0.00 C ATOM 851 CZ TYR A 55 -1.200 10.324 -7.855 1.00 0.00 C ATOM 852 OH TYR A 55 0.156 10.353 -7.975 1.00 0.00 O ATOM 0 H TYR A 55 -4.723 10.338 -4.541 1.00 0.00 H new ATOM 0 HA TYR A 55 -7.232 10.473 -6.130 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -5.914 9.691 -8.062 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.809 11.381 -7.610 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.878 8.244 -8.034 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.726 12.389 -6.932 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.429 8.258 -8.396 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -1.286 12.392 -7.292 1.00 0.00 H new ATOM 0 HH TYR A 55 0.417 9.964 -8.836 1.00 0.00 H new ATOM 862 N THR A 56 -7.728 8.293 -5.235 1.00 0.00 N ATOM 863 CA THR A 56 -8.261 6.924 -4.978 1.00 0.00 C ATOM 864 C THR A 56 -8.446 6.140 -6.315 1.00 0.00 C ATOM 865 O THR A 56 -9.363 6.409 -7.096 1.00 0.00 O ATOM 866 CB THR A 56 -9.604 7.093 -4.199 1.00 0.00 C ATOM 867 OG1 THR A 56 -9.412 7.842 -3.001 1.00 0.00 O ATOM 868 CG2 THR A 56 -10.260 5.794 -3.751 1.00 0.00 C ATOM 0 H THR A 56 -8.405 9.027 -5.030 1.00 0.00 H new ATOM 0 HA THR A 56 -7.563 6.335 -4.382 1.00 0.00 H new ATOM 0 HB THR A 56 -10.247 7.591 -4.924 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.268 7.935 -2.533 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.185 6.018 -3.220 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.482 5.179 -4.623 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.583 5.254 -3.089 1.00 0.00 H new ATOM 876 N SER A 57 -7.498 5.240 -6.604 1.00 0.00 N ATOM 877 CA SER A 57 -7.190 4.832 -7.997 1.00 0.00 C ATOM 878 C SER A 57 -6.725 3.356 -8.126 1.00 0.00 C ATOM 879 O SER A 57 -6.231 2.753 -7.172 1.00 0.00 O ATOM 880 CB SER A 57 -6.099 5.823 -8.510 1.00 0.00 C ATOM 881 OG SER A 57 -4.941 5.906 -7.667 1.00 0.00 O ATOM 0 H SER A 57 -6.926 4.776 -5.898 1.00 0.00 H new ATOM 0 HA SER A 57 -8.096 4.878 -8.601 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.787 5.518 -9.509 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.540 6.816 -8.603 1.00 0.00 H new ATOM 0 HG SER A 57 -5.105 6.552 -6.948 1.00 0.00 H new ATOM 887 N THR A 58 -6.839 2.780 -9.334 1.00 0.00 N ATOM 888 CA THR A 58 -6.328 1.408 -9.634 1.00 0.00 C ATOM 889 C THR A 58 -5.244 1.403 -10.763 1.00 0.00 C ATOM 890 O THR A 58 -4.762 2.444 -11.229 1.00 0.00 O ATOM 891 CB THR A 58 -7.517 0.421 -9.773 1.00 0.00 C ATOM 892 OG1 THR A 58 -7.025 -0.918 -9.774 1.00 0.00 O ATOM 893 CG2 THR A 58 -8.394 0.562 -11.007 1.00 0.00 C ATOM 0 H THR A 58 -7.282 3.237 -10.131 1.00 0.00 H new ATOM 0 HA THR A 58 -5.754 1.023 -8.791 1.00 0.00 H new ATOM 0 HB THR A 58 -8.148 0.669 -8.920 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.776 -1.542 -9.860 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.185 -0.187 -10.979 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.838 1.557 -11.026 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.789 0.417 -11.902 1.00 0.00 H new ATOM 901 N GLN A 59 -4.755 0.197 -11.079 1.00 0.00 N ATOM 902 CA GLN A 59 -3.502 -0.014 -11.856 1.00 0.00 C ATOM 903 C GLN A 59 -3.449 -1.477 -12.385 1.00 0.00 C ATOM 904 O GLN A 59 -3.545 -2.415 -11.590 1.00 0.00 O ATOM 905 CB GLN A 59 -2.288 0.274 -10.939 1.00 0.00 C ATOM 906 CG GLN A 59 -0.950 0.571 -11.634 1.00 0.00 C ATOM 907 CD GLN A 59 0.023 1.269 -10.678 1.00 0.00 C ATOM 908 OE1 GLN A 59 -0.094 2.467 -10.424 1.00 0.00 O ATOM 909 NE2 GLN A 59 0.952 0.553 -10.091 1.00 0.00 N ATOM 0 H GLN A 59 -5.212 -0.673 -10.806 1.00 0.00 H new ATOM 0 HA GLN A 59 -3.476 0.662 -12.711 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.537 1.124 -10.303 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -2.147 -0.585 -10.283 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.508 -0.359 -11.993 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.122 1.200 -12.507 1.00 0.00 H new ATOM 0 HE21 GLN A 59 1.043 -0.440 -10.307 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.583 0.989 -9.419 1.00 0.00 H new ATOM 918 N ARG A 60 -3.264 -1.640 -13.709 1.00 0.00 N ATOM 919 CA ARG A 60 -2.954 -2.944 -14.369 1.00 0.00 C ATOM 920 C ARG A 60 -3.746 -4.202 -13.886 1.00 0.00 C ATOM 921 O ARG A 60 -3.206 -5.018 -13.141 1.00 0.00 O ATOM 922 CB ARG A 60 -1.417 -3.162 -14.391 1.00 0.00 C ATOM 923 CG ARG A 60 -0.602 -2.464 -15.496 1.00 0.00 C ATOM 924 CD ARG A 60 -0.382 -0.951 -15.384 1.00 0.00 C ATOM 925 NE ARG A 60 -1.471 -0.180 -16.036 1.00 0.00 N ATOM 926 CZ ARG A 60 -1.545 1.147 -16.091 1.00 0.00 C ATOM 927 NH1 ARG A 60 -0.672 1.949 -15.534 1.00 0.00 N ATOM 928 NH2 ARG A 60 -2.540 1.683 -16.735 1.00 0.00 N ATOM 0 H ARG A 60 -3.324 -0.864 -14.369 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.335 -2.844 -15.385 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.020 -2.838 -13.429 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.233 -4.234 -14.467 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.377 -2.941 -15.540 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.095 -2.660 -16.448 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.319 -0.671 -14.333 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.572 -0.689 -15.842 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.222 -0.710 -16.477 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.121 1.563 -15.022 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.785 2.960 -15.612 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.238 1.088 -17.181 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.622 2.698 -16.793 1.00 0.00 H new ATOM 942 N VAL A 61 -5.007 -4.360 -14.319 1.00 0.00 N ATOM 943 CA VAL A 61 -5.913 -5.447 -13.815 1.00 0.00 C ATOM 944 C VAL A 61 -5.440 -6.919 -14.034 1.00 0.00 C ATOM 945 O VAL A 61 -5.509 -7.712 -13.092 1.00 0.00 O ATOM 946 CB VAL A 61 -7.378 -5.141 -14.259 1.00 0.00 C ATOM 947 CG1 VAL A 61 -7.681 -5.343 -15.752 1.00 0.00 C ATOM 948 CG2 VAL A 61 -8.412 -5.934 -13.431 1.00 0.00 C ATOM 0 H VAL A 61 -5.439 -3.756 -15.018 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.867 -5.414 -12.726 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.469 -4.072 -14.067 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -8.726 -5.102 -15.947 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.041 -4.690 -16.345 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.491 -6.381 -16.025 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -9.417 -5.690 -13.774 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.236 -7.002 -13.555 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.314 -5.670 -12.378 1.00 0.00 H new ATOM 958 N ASP A 62 -4.920 -7.258 -15.226 1.00 0.00 N ATOM 959 CA ASP A 62 -4.100 -8.490 -15.413 1.00 0.00 C ATOM 960 C ASP A 62 -2.648 -8.290 -14.849 1.00 0.00 C ATOM 961 O ASP A 62 -2.180 -7.166 -14.632 1.00 0.00 O ATOM 962 CB ASP A 62 -4.139 -8.833 -16.920 1.00 0.00 C ATOM 963 CG ASP A 62 -3.793 -10.281 -17.259 1.00 0.00 C ATOM 964 OD1 ASP A 62 -2.661 -10.735 -16.987 1.00 0.00 O ATOM 965 OD2 ASP A 62 -4.646 -10.992 -17.832 1.00 0.00 O ATOM 0 H ASP A 62 -5.046 -6.707 -16.075 1.00 0.00 H new ATOM 0 HA ASP A 62 -4.502 -9.331 -14.849 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.136 -8.614 -17.302 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.445 -8.176 -17.445 1.00 0.00 H new ATOM 970 N ARG A 63 -1.932 -9.398 -14.618 1.00 0.00 N ATOM 971 CA ARG A 63 -0.601 -9.371 -13.938 1.00 0.00 C ATOM 972 C ARG A 63 0.584 -8.871 -14.828 1.00 0.00 C ATOM 973 O ARG A 63 1.536 -9.597 -15.116 1.00 0.00 O ATOM 974 CB ARG A 63 -0.386 -10.751 -13.252 1.00 0.00 C ATOM 975 CG ARG A 63 -0.059 -11.959 -14.163 1.00 0.00 C ATOM 976 CD ARG A 63 1.364 -12.497 -13.934 1.00 0.00 C ATOM 977 NE ARG A 63 1.832 -13.351 -15.060 1.00 0.00 N ATOM 978 CZ ARG A 63 2.570 -12.926 -16.087 1.00 0.00 C ATOM 979 NH1 ARG A 63 2.815 -11.668 -16.337 1.00 0.00 N ATOM 980 NH2 ARG A 63 3.073 -13.806 -16.900 1.00 0.00 N ATOM 0 H ARG A 63 -2.240 -10.332 -14.887 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.608 -8.599 -13.169 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.424 -10.645 -12.530 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.287 -10.990 -12.687 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.780 -12.756 -13.979 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.170 -11.664 -15.207 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.050 -11.660 -13.806 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.388 -13.073 -13.009 1.00 0.00 H new ATOM 0 HE ARG A 63 1.568 -14.336 -15.045 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.433 -10.943 -15.729 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.388 -11.410 -17.140 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.901 -14.800 -16.746 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.640 -13.503 -17.692 1.00 0.00 H new ATOM 994 N LEU A 64 0.515 -7.609 -15.266 1.00 0.00 N ATOM 995 CA LEU A 64 1.366 -7.100 -16.375 1.00 0.00 C ATOM 996 C LEU A 64 2.754 -6.575 -15.895 1.00 0.00 C ATOM 997 O LEU A 64 3.776 -7.109 -16.323 1.00 0.00 O ATOM 998 CB LEU A 64 0.589 -6.036 -17.194 1.00 0.00 C ATOM 999 CG LEU A 64 -0.695 -6.517 -17.913 1.00 0.00 C ATOM 1000 CD1 LEU A 64 -1.439 -5.297 -18.480 1.00 0.00 C ATOM 1001 CD2 LEU A 64 -0.402 -7.509 -19.039 1.00 0.00 C ATOM 0 H LEU A 64 -0.119 -6.912 -14.876 1.00 0.00 H new ATOM 0 HA LEU A 64 1.593 -7.944 -17.027 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.319 -5.220 -16.523 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.264 -5.622 -17.943 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.310 -7.038 -17.179 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.345 -5.627 -18.988 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.705 -4.622 -17.666 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.795 -4.775 -19.188 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.337 -7.813 -19.509 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.240 -7.037 -19.782 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.100 -8.386 -18.630 1.00 0.00 H new ATOM 1013 N ALA A 65 2.768 -5.556 -15.022 1.00 0.00 N ATOM 1014 CA ALA A 65 4.001 -5.064 -14.358 1.00 0.00 C ATOM 1015 C ALA A 65 3.834 -4.961 -12.811 1.00 0.00 C ATOM 1016 O ALA A 65 4.564 -5.632 -12.079 1.00 0.00 O ATOM 1017 CB ALA A 65 4.428 -3.749 -15.024 1.00 0.00 C ATOM 0 H ALA A 65 1.928 -5.045 -14.751 1.00 0.00 H new ATOM 0 HA ALA A 65 4.806 -5.786 -14.493 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.334 -3.376 -14.545 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.622 -3.923 -16.082 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.632 -3.012 -14.918 1.00 0.00 H new ATOM 1023 N ARG A 66 2.883 -4.141 -12.326 1.00 0.00 N ATOM 1024 CA ARG A 66 2.510 -4.084 -10.893 1.00 0.00 C ATOM 1025 C ARG A 66 0.997 -3.708 -10.817 1.00 0.00 C ATOM 1026 O ARG A 66 0.618 -2.532 -10.868 1.00 0.00 O ATOM 1027 CB ARG A 66 3.439 -3.109 -10.131 1.00 0.00 C ATOM 1028 CG ARG A 66 3.134 -2.921 -8.634 1.00 0.00 C ATOM 1029 CD ARG A 66 3.356 -4.150 -7.738 1.00 0.00 C ATOM 1030 NE ARG A 66 2.846 -3.793 -6.393 1.00 0.00 N ATOM 1031 CZ ARG A 66 2.933 -4.522 -5.294 1.00 0.00 C ATOM 1032 NH1 ARG A 66 3.588 -5.650 -5.225 1.00 0.00 N ATOM 1033 NH2 ARG A 66 2.335 -4.079 -4.230 1.00 0.00 N ATOM 0 H ARG A 66 2.350 -3.499 -12.912 1.00 0.00 H new ATOM 0 HA ARG A 66 2.646 -5.047 -10.400 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.465 -3.463 -10.231 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.389 -2.135 -10.617 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.753 -2.106 -8.258 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.095 -2.606 -8.533 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.829 -5.018 -8.134 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.413 -4.411 -7.694 1.00 0.00 H new ATOM 0 HE ARG A 66 2.379 -2.890 -6.306 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.068 -6.012 -6.049 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.619 -6.169 -4.347 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.822 -3.198 -4.263 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.378 -4.612 -3.361 1.00 0.00 H new ATOM 1047 N THR A 67 0.158 -4.738 -10.658 1.00 0.00 N ATOM 1048 CA THR A 67 -1.281 -4.579 -10.295 1.00 0.00 C ATOM 1049 C THR A 67 -1.436 -3.981 -8.859 1.00 0.00 C ATOM 1050 O THR A 67 -0.848 -4.497 -7.904 1.00 0.00 O ATOM 1051 CB THR A 67 -1.999 -5.961 -10.407 1.00 0.00 C ATOM 1052 OG1 THR A 67 -1.811 -6.528 -11.703 1.00 0.00 O ATOM 1053 CG2 THR A 67 -3.515 -5.876 -10.212 1.00 0.00 C ATOM 0 H THR A 67 0.444 -5.710 -10.774 1.00 0.00 H new ATOM 0 HA THR A 67 -1.747 -3.879 -10.989 1.00 0.00 H new ATOM 0 HB THR A 67 -1.555 -6.566 -9.617 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.021 -5.858 -12.387 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.950 -6.871 -10.303 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.733 -5.474 -9.223 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.943 -5.222 -10.972 1.00 0.00 H new ATOM 1061 N GLU A 68 -2.177 -2.869 -8.740 1.00 0.00 N ATOM 1062 CA GLU A 68 -2.176 -2.053 -7.497 1.00 0.00 C ATOM 1063 C GLU A 68 -3.493 -1.228 -7.354 1.00 0.00 C ATOM 1064 O GLU A 68 -3.742 -0.304 -8.133 1.00 0.00 O ATOM 1065 CB GLU A 68 -0.944 -1.100 -7.512 1.00 0.00 C ATOM 1066 CG GLU A 68 -0.483 -0.635 -6.121 1.00 0.00 C ATOM 1067 CD GLU A 68 0.602 -1.493 -5.499 1.00 0.00 C ATOM 1068 OE1 GLU A 68 1.746 -1.447 -5.993 1.00 0.00 O ATOM 1069 OE2 GLU A 68 0.350 -2.221 -4.519 1.00 0.00 O ATOM 0 H GLU A 68 -2.783 -2.509 -9.478 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.115 -2.725 -6.641 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.115 -1.606 -8.006 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.186 -0.223 -8.113 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.120 0.390 -6.196 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.344 -0.620 -5.453 1.00 0.00 H new ATOM 1076 N ILE A 69 -4.294 -1.508 -6.318 1.00 0.00 N ATOM 1077 CA ILE A 69 -5.378 -0.589 -5.867 1.00 0.00 C ATOM 1078 C ILE A 69 -4.745 0.378 -4.794 1.00 0.00 C ATOM 1079 O ILE A 69 -4.156 -0.064 -3.804 1.00 0.00 O ATOM 1080 CB ILE A 69 -6.640 -1.347 -5.334 1.00 0.00 C ATOM 1081 CG1 ILE A 69 -7.341 -2.281 -6.371 1.00 0.00 C ATOM 1082 CG2 ILE A 69 -7.742 -0.312 -4.940 1.00 0.00 C ATOM 1083 CD1 ILE A 69 -6.715 -3.654 -6.590 1.00 0.00 C ATOM 0 H ILE A 69 -4.221 -2.363 -5.767 1.00 0.00 H new ATOM 0 HA ILE A 69 -5.757 -0.015 -6.713 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.258 -1.949 -4.509 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -8.374 -2.425 -6.055 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.370 -1.763 -7.330 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -8.621 -0.840 -4.569 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -7.359 0.348 -4.162 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -8.016 0.279 -5.814 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.294 -4.204 -7.332 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.691 -3.535 -6.945 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -6.711 -4.206 -5.650 1.00 0.00 H new ATOM 1095 N LYS A 70 -4.852 1.686 -5.038 1.00 0.00 N ATOM 1096 CA LYS A 70 -4.140 2.735 -4.269 1.00 0.00 C ATOM 1097 C LYS A 70 -5.213 3.723 -3.692 1.00 0.00 C ATOM 1098 O LYS A 70 -5.476 4.798 -4.249 1.00 0.00 O ATOM 1099 CB LYS A 70 -3.160 3.514 -5.195 1.00 0.00 C ATOM 1100 CG LYS A 70 -2.137 2.696 -6.000 1.00 0.00 C ATOM 1101 CD LYS A 70 -1.836 3.304 -7.385 1.00 0.00 C ATOM 1102 CE LYS A 70 -2.997 3.159 -8.370 1.00 0.00 C ATOM 1103 NZ LYS A 70 -2.614 3.718 -9.692 1.00 0.00 N ATOM 0 H LYS A 70 -5.440 2.061 -5.782 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.563 2.279 -3.465 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.755 4.095 -5.900 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.611 4.226 -4.579 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.210 2.624 -5.432 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.512 1.681 -6.129 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.598 4.361 -7.267 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.952 2.822 -7.802 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.267 2.108 -8.475 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.876 3.677 -7.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.327 3.452 -10.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.559 4.755 -9.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.687 3.339 -9.974 1.00 0.00 H new ATOM 1117 N ASN A 71 -5.841 3.345 -2.577 1.00 0.00 N ATOM 1118 CA ASN A 71 -6.915 4.172 -1.949 1.00 0.00 C ATOM 1119 C ASN A 71 -6.308 5.142 -0.882 1.00 0.00 C ATOM 1120 O ASN A 71 -6.473 4.959 0.327 1.00 0.00 O ATOM 1121 CB ASN A 71 -7.997 3.237 -1.364 1.00 0.00 C ATOM 1122 CG ASN A 71 -8.806 2.420 -2.364 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -8.953 2.747 -3.538 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -9.380 1.327 -1.929 1.00 0.00 N ATOM 0 H ASN A 71 -5.637 2.478 -2.080 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.391 4.803 -2.699 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -7.513 2.547 -0.672 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.690 3.842 -0.779 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -9.941 0.759 -2.563 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -9.266 1.044 -0.956 1.00 0.00 H new ATOM 1131 N PHE A 72 -5.558 6.156 -1.355 1.00 0.00 N ATOM 1132 CA PHE A 72 -4.501 6.801 -0.526 1.00 0.00 C ATOM 1133 C PHE A 72 -4.457 8.338 -0.733 1.00 0.00 C ATOM 1134 O PHE A 72 -4.359 8.824 -1.864 1.00 0.00 O ATOM 1135 CB PHE A 72 -3.156 6.117 -0.901 1.00 0.00 C ATOM 1136 CG PHE A 72 -2.041 6.290 0.140 1.00 0.00 C ATOM 1137 CD1 PHE A 72 -2.075 5.559 1.338 1.00 0.00 C ATOM 1138 CD2 PHE A 72 -0.947 7.135 -0.103 1.00 0.00 C ATOM 1139 CE1 PHE A 72 -1.051 5.682 2.276 1.00 0.00 C ATOM 1140 CE2 PHE A 72 0.092 7.234 0.823 1.00 0.00 C ATOM 1141 CZ PHE A 72 0.035 6.513 2.013 1.00 0.00 C ATOM 0 H PHE A 72 -5.656 6.547 -2.292 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.711 6.667 0.535 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.334 5.052 -1.050 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.812 6.519 -1.854 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.903 4.894 1.535 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.909 7.713 -1.014 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -1.100 5.134 3.205 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.940 7.870 0.617 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.835 6.599 2.734 1.00 0.00 H new ATOM 1151 N THR A 73 -4.510 9.091 0.376 1.00 0.00 N ATOM 1152 CA THR A 73 -4.344 10.571 0.368 1.00 0.00 C ATOM 1153 C THR A 73 -3.092 10.942 1.213 1.00 0.00 C ATOM 1154 O THR A 73 -3.055 10.737 2.431 1.00 0.00 O ATOM 1155 CB THR A 73 -5.647 11.227 0.890 1.00 0.00 C ATOM 1156 OG1 THR A 73 -6.723 10.865 0.027 1.00 0.00 O ATOM 1157 CG2 THR A 73 -5.627 12.752 0.904 1.00 0.00 C ATOM 0 H THR A 73 -4.668 8.703 1.306 1.00 0.00 H new ATOM 0 HA THR A 73 -4.176 10.949 -0.641 1.00 0.00 H new ATOM 0 HB THR A 73 -5.756 10.873 1.915 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.553 11.274 0.350 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.578 13.125 1.284 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.818 13.099 1.547 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.470 13.123 -0.109 1.00 0.00 H new ATOM 1165 N VAL A 74 -2.076 11.514 0.558 1.00 0.00 N ATOM 1166 CA VAL A 74 -0.806 11.935 1.217 1.00 0.00 C ATOM 1167 C VAL A 74 -0.439 13.386 0.791 1.00 0.00 C ATOM 1168 O VAL A 74 -0.435 13.735 -0.393 1.00 0.00 O ATOM 1169 CB VAL A 74 0.327 10.895 0.991 1.00 0.00 C ATOM 1170 CG1 VAL A 74 0.644 10.574 -0.470 1.00 0.00 C ATOM 1171 CG2 VAL A 74 1.666 11.298 1.648 1.00 0.00 C ATOM 0 H VAL A 74 -2.098 11.704 -0.444 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.948 11.959 2.297 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.097 10.010 1.464 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.448 9.839 -0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.245 10.170 -0.955 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.955 11.484 -0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.413 10.529 1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.004 12.247 1.232 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.526 11.402 2.724 1.00 0.00 H new ATOM 1181 N PHE A 75 -0.097 14.212 1.784 1.00 0.00 N ATOM 1182 CA PHE A 75 0.181 15.653 1.581 1.00 0.00 C ATOM 1183 C PHE A 75 1.701 15.951 1.452 1.00 0.00 C ATOM 1184 O PHE A 75 2.542 15.357 2.135 1.00 0.00 O ATOM 1185 CB PHE A 75 -0.464 16.451 2.749 1.00 0.00 C ATOM 1186 CG PHE A 75 -1.991 16.595 2.586 1.00 0.00 C ATOM 1187 CD1 PHE A 75 -2.862 15.612 3.082 1.00 0.00 C ATOM 1188 CD2 PHE A 75 -2.533 17.680 1.880 1.00 0.00 C ATOM 1189 CE1 PHE A 75 -4.239 15.716 2.888 1.00 0.00 C ATOM 1190 CE2 PHE A 75 -3.910 17.780 1.677 1.00 0.00 C ATOM 1191 CZ PHE A 75 -4.761 16.799 2.183 1.00 0.00 C ATOM 0 H PHE A 75 -0.003 13.909 2.754 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.260 15.967 0.635 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.247 15.949 3.692 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.012 17.441 2.803 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.461 14.766 3.620 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.878 18.445 1.490 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.900 14.959 3.283 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.316 18.617 1.128 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.827 16.878 2.028 1.00 0.00 H new ATOM 1201 N PHE A 76 2.021 16.905 0.572 1.00 0.00 N ATOM 1202 CA PHE A 76 3.414 17.339 0.301 1.00 0.00 C ATOM 1203 C PHE A 76 3.497 18.900 0.366 1.00 0.00 C ATOM 1204 O PHE A 76 2.610 19.598 -0.139 1.00 0.00 O ATOM 1205 CB PHE A 76 3.894 16.861 -1.100 1.00 0.00 C ATOM 1206 CG PHE A 76 3.847 15.342 -1.337 1.00 0.00 C ATOM 1207 CD1 PHE A 76 4.691 14.462 -0.642 1.00 0.00 C ATOM 1208 CD2 PHE A 76 2.911 14.805 -2.230 1.00 0.00 C ATOM 1209 CE1 PHE A 76 4.559 13.082 -0.801 1.00 0.00 C ATOM 1210 CE2 PHE A 76 2.793 13.426 -2.402 1.00 0.00 C ATOM 1211 CZ PHE A 76 3.611 12.565 -1.681 1.00 0.00 C ATOM 0 H PHE A 76 1.325 17.406 0.020 1.00 0.00 H new ATOM 0 HA PHE A 76 4.060 16.893 1.058 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.282 17.348 -1.859 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.918 17.202 -1.249 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.448 14.856 0.020 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.272 15.468 -2.793 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.194 12.412 -0.240 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.067 13.028 -3.095 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.512 11.496 -1.803 1.00 0.00 H new ATOM 1221 N GLU A 77 4.575 19.428 0.960 1.00 0.00 N ATOM 1222 CA GLU A 77 4.824 20.905 1.016 1.00 0.00 C ATOM 1223 C GLU A 77 5.398 21.420 -0.334 1.00 0.00 C ATOM 1224 O GLU A 77 4.679 22.055 -1.109 1.00 0.00 O ATOM 1225 CB GLU A 77 5.646 21.139 2.305 1.00 0.00 C ATOM 1226 CG GLU A 77 6.164 22.557 2.592 1.00 0.00 C ATOM 1227 CD GLU A 77 7.459 22.959 1.901 1.00 0.00 C ATOM 1228 OE1 GLU A 77 8.407 22.142 1.851 1.00 0.00 O ATOM 1229 OE2 GLU A 77 7.535 24.096 1.394 1.00 0.00 O ATOM 0 H GLU A 77 5.298 18.869 1.413 1.00 0.00 H new ATOM 0 HA GLU A 77 3.928 21.519 1.104 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.032 20.832 3.151 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.506 20.470 2.277 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.389 23.268 2.305 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.306 22.657 3.668 1.00 0.00 H new ATOM 1236 N ASN A 78 6.659 21.083 -0.621 1.00 0.00 N ATOM 1237 CA ASN A 78 7.316 21.359 -1.928 1.00 0.00 C ATOM 1238 C ASN A 78 7.486 20.000 -2.660 1.00 0.00 C ATOM 1239 O ASN A 78 6.701 19.684 -3.562 1.00 0.00 O ATOM 1240 CB ASN A 78 8.585 22.187 -1.645 1.00 0.00 C ATOM 1241 CG ASN A 78 9.293 22.699 -2.886 1.00 0.00 C ATOM 1242 OD1 ASN A 78 10.049 21.987 -3.538 1.00 0.00 O ATOM 1243 ND2 ASN A 78 9.080 23.936 -3.266 1.00 0.00 N ATOM 0 H ASN A 78 7.268 20.607 0.044 1.00 0.00 H new ATOM 0 HA ASN A 78 6.740 21.973 -2.620 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.316 23.038 -1.019 1.00 0.00 H new ATOM 0 HB3 ASN A 78 9.282 21.576 -1.071 1.00 0.00 H new ATOM 0 HD21 ASN A 78 9.542 24.300 -4.099 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.452 24.534 -2.728 1.00 0.00 H new ATOM 1250 N GLU A 79 8.411 19.138 -2.204 1.00 0.00 N ATOM 1251 CA GLU A 79 8.162 17.673 -2.200 1.00 0.00 C ATOM 1252 C GLU A 79 8.474 16.885 -0.890 1.00 0.00 C ATOM 1253 O GLU A 79 8.385 15.654 -0.906 1.00 0.00 O ATOM 1254 CB GLU A 79 8.692 17.008 -3.474 1.00 0.00 C ATOM 1255 CG GLU A 79 10.194 16.849 -3.718 1.00 0.00 C ATOM 1256 CD GLU A 79 10.433 15.892 -4.885 1.00 0.00 C ATOM 1257 OE1 GLU A 79 10.006 16.187 -6.018 1.00 0.00 O ATOM 1258 OE2 GLU A 79 10.998 14.798 -4.652 1.00 0.00 O ATOM 0 H GLU A 79 9.322 19.415 -1.839 1.00 0.00 H new ATOM 0 HA GLU A 79 7.074 17.602 -2.208 1.00 0.00 H new ATOM 0 HB2 GLU A 79 8.255 16.010 -3.518 1.00 0.00 H new ATOM 0 HB3 GLU A 79 8.290 17.570 -4.317 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.641 17.819 -3.935 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.679 16.468 -2.819 1.00 0.00 H new ATOM 1265 N GLN A 80 8.718 17.549 0.255 1.00 0.00 N ATOM 1266 CA GLN A 80 8.834 16.853 1.562 1.00 0.00 C ATOM 1267 C GLN A 80 7.459 16.378 2.102 1.00 0.00 C ATOM 1268 O GLN A 80 6.451 17.089 2.000 1.00 0.00 O ATOM 1269 CB GLN A 80 9.637 17.694 2.579 1.00 0.00 C ATOM 1270 CG GLN A 80 8.992 19.005 3.067 1.00 0.00 C ATOM 1271 CD GLN A 80 9.865 19.795 4.036 1.00 0.00 C ATOM 1272 OE1 GLN A 80 10.398 19.280 5.014 1.00 0.00 O ATOM 1273 NE2 GLN A 80 10.019 21.080 3.828 1.00 0.00 N ATOM 0 H GLN A 80 8.839 18.560 0.308 1.00 0.00 H new ATOM 0 HA GLN A 80 9.408 15.941 1.399 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.838 17.071 3.450 1.00 0.00 H new ATOM 0 HB3 GLN A 80 10.601 17.937 2.132 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.765 19.631 2.204 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.044 18.774 3.552 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.582 21.522 3.019 1.00 0.00 H new ATOM 0 HE22 GLN A 80 10.576 21.638 4.475 1.00 0.00 H new ATOM 1282 N VAL A 81 7.425 15.155 2.644 1.00 0.00 N ATOM 1283 CA VAL A 81 6.145 14.472 2.972 1.00 0.00 C ATOM 1284 C VAL A 81 5.594 14.966 4.351 1.00 0.00 C ATOM 1285 O VAL A 81 6.293 14.938 5.368 1.00 0.00 O ATOM 1286 CB VAL A 81 6.248 12.911 2.958 1.00 0.00 C ATOM 1287 CG1 VAL A 81 4.837 12.294 2.840 1.00 0.00 C ATOM 1288 CG2 VAL A 81 7.141 12.292 1.871 1.00 0.00 C ATOM 0 H VAL A 81 8.258 14.611 2.868 1.00 0.00 H new ATOM 0 HA VAL A 81 5.447 14.743 2.180 1.00 0.00 H new ATOM 0 HB VAL A 81 6.734 12.672 3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.915 11.207 2.831 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.231 12.607 3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.368 12.632 1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.130 11.206 1.966 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.765 12.574 0.887 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.162 12.656 1.988 1.00 0.00 H new ATOM 1298 N VAL A 82 4.333 15.405 4.347 1.00 0.00 N ATOM 1299 CA VAL A 82 3.697 16.081 5.514 1.00 0.00 C ATOM 1300 C VAL A 82 2.906 15.041 6.361 1.00 0.00 C ATOM 1301 O VAL A 82 3.293 14.782 7.501 1.00 0.00 O ATOM 1302 CB VAL A 82 2.873 17.311 5.005 1.00 0.00 C ATOM 1303 CG1 VAL A 82 2.044 18.019 6.094 1.00 0.00 C ATOM 1304 CG2 VAL A 82 3.783 18.390 4.363 1.00 0.00 C ATOM 0 H VAL A 82 3.713 15.309 3.543 1.00 0.00 H new ATOM 0 HA VAL A 82 4.438 16.490 6.201 1.00 0.00 H new ATOM 0 HB VAL A 82 2.193 16.874 4.274 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.506 18.858 5.653 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.331 17.315 6.523 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.708 18.385 6.877 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.172 19.226 4.023 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.504 18.744 5.100 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.314 17.960 3.514 1.00 0.00 H new ATOM 1314 N ARG A 83 1.811 14.465 5.825 1.00 0.00 N ATOM 1315 CA ARG A 83 1.006 13.435 6.538 1.00 0.00 C ATOM 1316 C ARG A 83 0.160 12.582 5.545 1.00 0.00 C ATOM 1317 O ARG A 83 -0.325 13.082 4.521 1.00 0.00 O ATOM 1318 CB ARG A 83 0.174 14.032 7.708 1.00 0.00 C ATOM 1319 CG ARG A 83 -0.879 15.114 7.404 1.00 0.00 C ATOM 1320 CD ARG A 83 -2.343 14.647 7.408 1.00 0.00 C ATOM 1321 NE ARG A 83 -2.634 13.840 6.205 1.00 0.00 N ATOM 1322 CZ ARG A 83 -3.770 13.216 5.942 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -4.821 13.260 6.717 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -3.835 12.516 4.853 1.00 0.00 N ATOM 0 H ARG A 83 1.457 14.693 4.896 1.00 0.00 H new ATOM 0 HA ARG A 83 1.706 12.747 7.011 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.337 13.206 8.202 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.876 14.450 8.430 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.771 15.914 8.136 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.658 15.544 6.427 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.540 14.058 8.304 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.006 15.511 7.442 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.889 13.756 5.513 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.794 13.799 7.583 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.668 12.755 6.456 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.027 12.461 4.233 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.694 12.020 4.616 1.00 0.00 H new ATOM 1338 N TRP A 84 -0.089 11.318 5.901 1.00 0.00 N ATOM 1339 CA TRP A 84 -0.790 10.335 5.038 1.00 0.00 C ATOM 1340 C TRP A 84 -1.947 9.570 5.751 1.00 0.00 C ATOM 1341 O TRP A 84 -1.850 9.230 6.933 1.00 0.00 O ATOM 1342 CB TRP A 84 0.218 9.333 4.428 1.00 0.00 C ATOM 1343 CG TRP A 84 1.177 8.548 5.365 1.00 0.00 C ATOM 1344 CD1 TRP A 84 0.872 7.395 6.130 1.00 0.00 C ATOM 1345 CD2 TRP A 84 2.537 8.784 5.600 1.00 0.00 C ATOM 1346 NE1 TRP A 84 1.986 6.931 6.847 1.00 0.00 N ATOM 1347 CE2 TRP A 84 3.007 7.794 6.500 1.00 0.00 C ATOM 1348 CE3 TRP A 84 3.441 9.763 5.080 1.00 0.00 C ATOM 1349 CZ2 TRP A 84 4.387 7.774 6.878 1.00 0.00 C ATOM 1350 CZ3 TRP A 84 4.775 9.722 5.470 1.00 0.00 C ATOM 1351 CH2 TRP A 84 5.244 8.737 6.356 1.00 0.00 C ATOM 0 H TRP A 84 0.189 10.935 6.804 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.259 10.920 4.247 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.354 8.601 3.858 1.00 0.00 H new ATOM 0 HB3 TRP A 84 0.834 9.882 3.716 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -0.102 6.929 6.158 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.031 6.134 7.482 1.00 0.00 H new ATOM 0 HE3 TRP A 84 3.093 10.522 4.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.758 7.022 7.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.463 10.460 5.085 1.00 0.00 H new ATOM 0 HH2 TRP A 84 6.287 8.728 6.636 1.00 0.00 H new ATOM 1362 N GLU A 85 -2.992 9.225 4.981 1.00 0.00 N ATOM 1363 CA GLU A 85 -3.935 8.136 5.353 1.00 0.00 C ATOM 1364 C GLU A 85 -4.410 7.327 4.104 1.00 0.00 C ATOM 1365 O GLU A 85 -4.536 7.850 2.990 1.00 0.00 O ATOM 1366 CB GLU A 85 -5.072 8.576 6.306 1.00 0.00 C ATOM 1367 CG GLU A 85 -6.366 9.164 5.735 1.00 0.00 C ATOM 1368 CD GLU A 85 -6.366 10.647 5.469 1.00 0.00 C ATOM 1369 OE1 GLU A 85 -5.972 11.073 4.366 1.00 0.00 O ATOM 1370 OE2 GLU A 85 -6.700 11.431 6.382 1.00 0.00 O ATOM 0 H GLU A 85 -3.212 9.680 4.095 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.365 7.435 5.963 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -5.347 7.708 6.905 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.654 9.315 6.990 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.593 8.649 4.801 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.178 8.941 6.427 1.00 0.00 H new ATOM 1377 N GLY A 86 -4.714 6.040 4.321 1.00 0.00 N ATOM 1378 CA GLY A 86 -5.428 5.227 3.322 1.00 0.00 C ATOM 1379 C GLY A 86 -5.430 3.703 3.522 1.00 0.00 C ATOM 1380 O GLY A 86 -4.780 3.141 4.409 1.00 0.00 O ATOM 0 H GLY A 86 -4.478 5.539 5.177 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.464 5.564 3.291 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.995 5.438 2.344 1.00 0.00 H new ATOM 1384 N ASP A 87 -6.170 3.063 2.615 1.00 0.00 N ATOM 1385 CA ASP A 87 -6.150 1.592 2.403 1.00 0.00 C ATOM 1386 C ASP A 87 -5.491 1.260 1.023 1.00 0.00 C ATOM 1387 O ASP A 87 -5.176 2.146 0.216 1.00 0.00 O ATOM 1388 CB ASP A 87 -7.563 1.010 2.624 1.00 0.00 C ATOM 1389 CG ASP A 87 -8.624 1.308 1.576 1.00 0.00 C ATOM 1390 OD1 ASP A 87 -9.284 2.365 1.653 1.00 0.00 O ATOM 1391 OD2 ASP A 87 -8.785 0.493 0.643 1.00 0.00 O ATOM 0 H ASP A 87 -6.814 3.549 1.991 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.521 1.095 3.142 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.470 -0.073 2.708 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.929 1.374 3.584 1.00 0.00 H new ATOM 1396 N TYR A 88 -5.180 -0.019 0.774 1.00 0.00 N ATOM 1397 CA TYR A 88 -4.286 -0.397 -0.358 1.00 0.00 C ATOM 1398 C TYR A 88 -4.402 -1.913 -0.743 1.00 0.00 C ATOM 1399 O TYR A 88 -4.971 -2.737 -0.022 1.00 0.00 O ATOM 1400 CB TYR A 88 -2.825 0.006 0.025 1.00 0.00 C ATOM 1401 CG TYR A 88 -2.091 0.859 -1.020 1.00 0.00 C ATOM 1402 CD1 TYR A 88 -1.446 0.259 -2.110 1.00 0.00 C ATOM 1403 CD2 TYR A 88 -1.904 2.236 -0.805 1.00 0.00 C ATOM 1404 CE1 TYR A 88 -0.605 1.006 -2.934 1.00 0.00 C ATOM 1405 CE2 TYR A 88 -1.055 2.979 -1.630 1.00 0.00 C ATOM 1406 CZ TYR A 88 -0.400 2.360 -2.690 1.00 0.00 C ATOM 1407 OH TYR A 88 0.549 3.017 -3.411 1.00 0.00 O ATOM 0 H TYR A 88 -5.522 -0.807 1.324 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.595 0.141 -1.254 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.851 0.555 0.966 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.248 -0.902 0.201 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.602 -0.790 -2.313 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.422 2.725 0.007 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -0.109 0.530 -3.767 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -0.908 4.033 -1.445 1.00 0.00 H new ATOM 0 HH TYR A 88 1.197 2.372 -3.763 1.00 0.00 H new ATOM 1417 N PHE A 89 -3.800 -2.251 -1.890 1.00 0.00 N ATOM 1418 CA PHE A 89 -3.634 -3.639 -2.398 1.00 0.00 C ATOM 1419 C PHE A 89 -3.148 -4.725 -1.367 1.00 0.00 C ATOM 1420 O PHE A 89 -2.209 -4.432 -0.615 1.00 0.00 O ATOM 1421 CB PHE A 89 -2.597 -3.494 -3.558 1.00 0.00 C ATOM 1422 CG PHE A 89 -2.394 -4.728 -4.451 1.00 0.00 C ATOM 1423 CD1 PHE A 89 -3.383 -5.129 -5.361 1.00 0.00 C ATOM 1424 CD2 PHE A 89 -1.209 -5.475 -4.375 1.00 0.00 C ATOM 1425 CE1 PHE A 89 -3.205 -6.263 -6.154 1.00 0.00 C ATOM 1426 CE2 PHE A 89 -1.028 -6.609 -5.168 1.00 0.00 C ATOM 1427 CZ PHE A 89 -2.027 -7.003 -6.055 1.00 0.00 C ATOM 0 H PHE A 89 -3.399 -1.553 -2.517 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.613 -4.021 -2.687 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.906 -2.662 -4.190 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.634 -3.224 -3.124 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.293 -4.553 -5.449 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.428 -5.169 -3.695 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.978 -6.567 -6.844 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.114 -7.180 -5.094 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.889 -7.882 -6.667 1.00 0.00 H new ATOM 1437 N PRO A 90 -3.683 -5.983 -1.334 1.00 0.00 N ATOM 1438 CA PRO A 90 -3.132 -7.084 -0.473 1.00 0.00 C ATOM 1439 C PRO A 90 -1.769 -7.632 -0.982 1.00 0.00 C ATOM 1440 O PRO A 90 -1.664 -8.619 -1.716 1.00 0.00 O ATOM 1441 CB PRO A 90 -4.288 -8.120 -0.497 1.00 0.00 C ATOM 1442 CG PRO A 90 -4.948 -7.925 -1.880 1.00 0.00 C ATOM 1443 CD PRO A 90 -4.868 -6.407 -2.106 1.00 0.00 C ATOM 0 HA PRO A 90 -2.873 -6.767 0.537 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.914 -9.136 -0.375 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.998 -7.943 0.311 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.419 -8.475 -2.658 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.979 -8.278 -1.886 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.759 -6.168 -3.164 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.770 -5.905 -1.757 1.00 0.00 H new ATOM 1451 N SER A 91 -0.721 -6.915 -0.573 1.00 0.00 N ATOM 1452 CA SER A 91 0.626 -7.045 -1.156 1.00 0.00 C ATOM 1453 C SER A 91 1.503 -8.041 -0.365 1.00 0.00 C ATOM 1454 O SER A 91 2.356 -7.692 0.456 1.00 0.00 O ATOM 1455 CB SER A 91 1.236 -5.630 -1.225 1.00 0.00 C ATOM 1456 OG SER A 91 2.455 -5.653 -1.965 1.00 0.00 O ATOM 0 H SER A 91 -0.777 -6.224 0.175 1.00 0.00 H new ATOM 0 HA SER A 91 0.569 -7.465 -2.160 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.530 -4.945 -1.695 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.421 -5.257 -0.218 1.00 0.00 H new ATOM 0 HG SER A 91 3.164 -6.048 -1.416 1.00 0.00 H new ATOM 1462 N GLN A 92 1.316 -9.315 -0.701 1.00 0.00 N ATOM 1463 CA GLN A 92 2.249 -10.405 -0.293 1.00 0.00 C ATOM 1464 C GLN A 92 3.574 -10.556 -1.140 1.00 0.00 C ATOM 1465 O GLN A 92 4.037 -11.668 -1.397 1.00 0.00 O ATOM 1466 CB GLN A 92 1.458 -11.719 -0.090 1.00 0.00 C ATOM 1467 CG GLN A 92 0.874 -12.442 -1.320 1.00 0.00 C ATOM 1468 CD GLN A 92 -0.382 -11.831 -1.916 1.00 0.00 C ATOM 1469 OE1 GLN A 92 -1.473 -11.928 -1.365 1.00 0.00 O ATOM 1470 NE2 GLN A 92 -0.287 -11.167 -3.044 1.00 0.00 N ATOM 0 H GLN A 92 0.525 -9.637 -1.259 1.00 0.00 H new ATOM 0 HA GLN A 92 2.670 -10.102 0.666 1.00 0.00 H new ATOM 0 HB2 GLN A 92 2.115 -12.422 0.423 1.00 0.00 H new ATOM 0 HB3 GLN A 92 0.631 -11.503 0.587 1.00 0.00 H new ATOM 0 HG2 GLN A 92 1.640 -12.476 -2.094 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.656 -13.473 -1.041 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.616 -11.080 -3.510 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.116 -10.737 -3.454 1.00 0.00 H new ATOM 1479 N ASP A 93 4.183 -9.408 -1.466 1.00 0.00 N ATOM 1480 CA ASP A 93 5.500 -9.267 -2.122 1.00 0.00 C ATOM 1481 C ASP A 93 5.674 -7.735 -2.451 1.00 0.00 C ATOM 1482 O ASP A 93 4.948 -7.163 -3.274 1.00 0.00 O ATOM 1483 CB ASP A 93 5.744 -10.109 -3.402 1.00 0.00 C ATOM 1484 CG ASP A 93 7.157 -9.968 -3.993 1.00 0.00 C ATOM 1485 OD1 ASP A 93 8.113 -9.650 -3.249 1.00 0.00 O ATOM 1486 OD2 ASP A 93 7.307 -10.137 -5.220 1.00 0.00 O ATOM 0 H ASP A 93 3.753 -8.504 -1.272 1.00 0.00 H new ATOM 0 HA ASP A 93 6.238 -9.662 -1.424 1.00 0.00 H new ATOM 0 HB2 ASP A 93 5.562 -11.159 -3.172 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.016 -9.818 -4.159 1.00 0.00 H new ATOM 1491 N GLU A 94 6.710 -7.137 -1.859 1.00 0.00 N ATOM 1492 CA GLU A 94 7.409 -5.975 -2.464 1.00 0.00 C ATOM 1493 C GLU A 94 8.990 -6.107 -2.551 1.00 0.00 C ATOM 1494 O GLU A 94 9.661 -5.131 -2.898 1.00 0.00 O ATOM 1495 CB GLU A 94 7.048 -4.617 -1.812 1.00 0.00 C ATOM 1496 CG GLU A 94 5.568 -4.253 -1.624 1.00 0.00 C ATOM 1497 CD GLU A 94 4.962 -4.778 -0.339 1.00 0.00 C ATOM 1498 OE1 GLU A 94 5.247 -4.229 0.742 1.00 0.00 O ATOM 1499 OE2 GLU A 94 4.171 -5.742 -0.394 1.00 0.00 O ATOM 0 H GLU A 94 7.092 -7.430 -0.960 1.00 0.00 H new ATOM 0 HA GLU A 94 7.025 -5.990 -3.484 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.522 -4.586 -0.831 1.00 0.00 H new ATOM 0 HB3 GLU A 94 7.507 -3.831 -2.412 1.00 0.00 H new ATOM 0 HG2 GLU A 94 5.466 -3.168 -1.645 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.999 -4.643 -2.468 1.00 0.00 H new ATOM 1506 N GLN A 95 9.560 -7.310 -2.359 1.00 0.00 N ATOM 1507 CA GLN A 95 10.995 -7.580 -2.702 1.00 0.00 C ATOM 1508 C GLN A 95 11.056 -8.184 -4.139 1.00 0.00 C ATOM 1509 O GLN A 95 11.262 -9.382 -4.342 1.00 0.00 O ATOM 1510 CB GLN A 95 11.551 -8.496 -1.586 1.00 0.00 C ATOM 1511 CG GLN A 95 13.080 -8.688 -1.641 1.00 0.00 C ATOM 1512 CD GLN A 95 13.646 -9.484 -0.473 1.00 0.00 C ATOM 1513 OE1 GLN A 95 14.166 -8.937 0.494 1.00 0.00 O ATOM 1514 NE2 GLN A 95 13.592 -10.793 -0.515 1.00 0.00 N ATOM 0 H GLN A 95 9.066 -8.114 -1.972 1.00 0.00 H new ATOM 0 HA GLN A 95 11.619 -6.687 -2.734 1.00 0.00 H new ATOM 0 HB2 GLN A 95 11.282 -8.076 -0.617 1.00 0.00 H new ATOM 0 HB3 GLN A 95 11.069 -9.471 -1.656 1.00 0.00 H new ATOM 0 HG2 GLN A 95 13.339 -9.193 -2.571 1.00 0.00 H new ATOM 0 HG3 GLN A 95 13.558 -7.709 -1.666 1.00 0.00 H new ATOM 0 HE21 GLN A 95 13.162 -11.260 -1.313 1.00 0.00 H new ATOM 0 HE22 GLN A 95 13.980 -11.344 0.251 1.00 0.00 H new ATOM 1523 N LEU A 96 10.755 -7.338 -5.142 1.00 0.00 N ATOM 1524 CA LEU A 96 9.650 -7.692 -6.083 1.00 0.00 C ATOM 1525 C LEU A 96 10.007 -8.743 -7.163 1.00 0.00 C ATOM 1526 O LEU A 96 10.918 -8.542 -7.975 1.00 0.00 O ATOM 1527 CB LEU A 96 9.150 -6.345 -6.684 1.00 0.00 C ATOM 1528 CG LEU A 96 7.885 -6.411 -7.574 1.00 0.00 C ATOM 1529 CD1 LEU A 96 6.633 -6.826 -6.793 1.00 0.00 C ATOM 1530 CD2 LEU A 96 7.637 -5.033 -8.217 1.00 0.00 C ATOM 0 H LEU A 96 11.224 -6.451 -5.326 1.00 0.00 H new ATOM 0 HA LEU A 96 8.862 -8.206 -5.533 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.953 -5.657 -5.862 1.00 0.00 H new ATOM 0 HB3 LEU A 96 9.959 -5.913 -7.273 1.00 0.00 H new ATOM 0 HG LEU A 96 8.068 -7.170 -8.334 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.777 -6.856 -7.467 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.786 -7.813 -6.358 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.444 -6.104 -5.998 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.746 -5.079 -8.844 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.492 -4.287 -7.435 1.00 0.00 H new ATOM 0 HD23 LEU A 96 8.497 -4.756 -8.828 1.00 0.00 H new ATOM 1542 N ALA A 97 9.202 -9.815 -7.227 1.00 0.00 N ATOM 1543 CA ALA A 97 9.194 -10.757 -8.367 1.00 0.00 C ATOM 1544 C ALA A 97 8.620 -10.101 -9.658 1.00 0.00 C ATOM 1545 O ALA A 97 7.464 -9.667 -9.705 1.00 0.00 O ATOM 1546 CB ALA A 97 8.365 -11.973 -7.929 1.00 0.00 C ATOM 0 H ALA A 97 8.537 -10.057 -6.492 1.00 0.00 H new ATOM 0 HA ALA A 97 10.210 -11.057 -8.623 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.329 -12.700 -8.740 1.00 0.00 H new ATOM 0 HB2 ALA A 97 8.824 -12.430 -7.052 1.00 0.00 H new ATOM 0 HB3 ALA A 97 7.352 -11.654 -7.683 1.00 0.00 H new ATOM 1552 N LYS A 98 9.473 -9.961 -10.681 1.00 0.00 N ATOM 1553 CA LYS A 98 9.213 -9.019 -11.800 1.00 0.00 C ATOM 1554 C LYS A 98 8.322 -9.665 -12.906 1.00 0.00 C ATOM 1555 O LYS A 98 8.739 -10.597 -13.600 1.00 0.00 O ATOM 1556 CB LYS A 98 10.554 -8.511 -12.394 1.00 0.00 C ATOM 1557 CG LYS A 98 11.538 -7.806 -11.433 1.00 0.00 C ATOM 1558 CD LYS A 98 11.008 -6.507 -10.808 1.00 0.00 C ATOM 1559 CE LYS A 98 11.955 -5.875 -9.767 1.00 0.00 C ATOM 1560 NZ LYS A 98 13.170 -5.272 -10.386 1.00 0.00 N ATOM 0 H LYS A 98 10.347 -10.481 -10.766 1.00 0.00 H new ATOM 0 HA LYS A 98 8.661 -8.168 -11.401 1.00 0.00 H new ATOM 0 HB2 LYS A 98 11.069 -9.363 -12.838 1.00 0.00 H new ATOM 0 HB3 LYS A 98 10.323 -7.820 -13.205 1.00 0.00 H new ATOM 0 HG2 LYS A 98 11.800 -8.497 -10.632 1.00 0.00 H new ATOM 0 HG3 LYS A 98 12.457 -7.583 -11.975 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.824 -5.783 -11.602 1.00 0.00 H new ATOM 0 HD3 LYS A 98 10.048 -6.710 -10.333 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.417 -5.108 -9.211 1.00 0.00 H new ATOM 0 HE3 LYS A 98 12.258 -6.636 -9.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 13.771 -4.862 -9.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 13.701 -6.007 -10.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.886 -4.526 -11.052 1.00 0.00 H new ATOM 1574 N ALA A 99 7.094 -9.150 -13.056 1.00 0.00 N ATOM 1575 CA ALA A 99 6.097 -9.705 -13.993 1.00 0.00 C ATOM 1576 C ALA A 99 6.395 -9.386 -15.486 1.00 0.00 C ATOM 1577 O ALA A 99 6.575 -8.231 -15.881 1.00 0.00 O ATOM 1578 CB ALA A 99 4.734 -9.138 -13.561 1.00 0.00 C ATOM 0 H ALA A 99 6.761 -8.339 -12.535 1.00 0.00 H new ATOM 0 HA ALA A 99 6.119 -10.794 -13.942 1.00 0.00 H new ATOM 0 HB1 ALA A 99 3.956 -9.518 -14.223 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.521 -9.444 -12.537 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.759 -8.050 -13.616 1.00 0.00 H new ATOM 1584 N ALA A 100 6.429 -10.446 -16.303 1.00 0.00 N ATOM 1585 CA ALA A 100 6.642 -10.330 -17.765 1.00 0.00 C ATOM 1586 C ALA A 100 5.319 -9.946 -18.504 1.00 0.00 C ATOM 1587 O ALA A 100 4.355 -10.718 -18.387 1.00 0.00 O ATOM 1588 CB ALA A 100 7.199 -11.676 -18.251 1.00 0.00 C ATOM 0 H ALA A 100 6.311 -11.406 -15.979 1.00 0.00 H new ATOM 0 HA ALA A 100 7.349 -9.531 -17.987 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.370 -11.632 -19.327 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.140 -11.885 -17.742 1.00 0.00 H new ATOM 0 HB3 ALA A 100 6.483 -12.467 -18.030 1.00 0.00 H new ATOM 1594 N PRO A 101 5.187 -8.799 -19.227 1.00 0.00 N ATOM 1595 CA PRO A 101 3.844 -8.240 -19.593 1.00 0.00 C ATOM 1596 C PRO A 101 3.101 -8.998 -20.715 1.00 0.00 C ATOM 1597 O PRO A 101 3.347 -8.816 -21.911 1.00 0.00 O ATOM 1598 CB PRO A 101 4.163 -6.755 -19.919 1.00 0.00 C ATOM 1599 CG PRO A 101 5.642 -6.763 -20.359 1.00 0.00 C ATOM 1600 CD PRO A 101 6.273 -7.812 -19.429 1.00 0.00 C ATOM 0 HA PRO A 101 3.121 -8.348 -18.785 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.516 -6.375 -20.710 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.012 -6.117 -19.049 1.00 0.00 H new ATOM 0 HG2 PRO A 101 5.750 -7.037 -21.408 1.00 0.00 H new ATOM 0 HG3 PRO A 101 6.105 -5.784 -20.236 1.00 0.00 H new ATOM 0 HD2 PRO A 101 7.152 -8.271 -19.881 1.00 0.00 H new ATOM 0 HD3 PRO A 101 6.593 -7.370 -18.486 1.00 0.00 H new ATOM 1608 N LYS A 102 2.139 -9.829 -20.290 1.00 0.00 N ATOM 1609 CA LYS A 102 1.257 -10.605 -21.205 1.00 0.00 C ATOM 1610 C LYS A 102 0.140 -9.721 -21.855 1.00 0.00 C ATOM 1611 O LYS A 102 -1.026 -9.735 -21.451 1.00 0.00 O ATOM 1612 CB LYS A 102 0.712 -11.774 -20.345 1.00 0.00 C ATOM 1613 CG LYS A 102 -0.167 -12.803 -21.088 1.00 0.00 C ATOM 1614 CD LYS A 102 -1.272 -13.410 -20.196 1.00 0.00 C ATOM 1615 CE LYS A 102 -2.425 -12.424 -19.936 1.00 0.00 C ATOM 1616 NZ LYS A 102 -3.402 -12.977 -18.965 1.00 0.00 N ATOM 0 H LYS A 102 1.942 -9.990 -19.302 1.00 0.00 H new ATOM 0 HA LYS A 102 1.799 -10.986 -22.070 1.00 0.00 H new ATOM 0 HB2 LYS A 102 1.558 -12.300 -19.903 1.00 0.00 H new ATOM 0 HB3 LYS A 102 0.132 -11.355 -19.523 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -0.628 -12.323 -21.951 1.00 0.00 H new ATOM 0 HG3 LYS A 102 0.466 -13.605 -21.469 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -1.666 -14.308 -20.671 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -0.839 -13.717 -19.244 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -2.024 -11.485 -19.556 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -2.931 -12.198 -20.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -4.110 -12.251 -18.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -3.876 -13.803 -19.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -2.905 -13.264 -18.098 1.00 0.00 H new ATOM 1630 N GLN A 103 0.539 -8.973 -22.887 1.00 0.00 N ATOM 1631 CA GLN A 103 -0.345 -8.008 -23.599 1.00 0.00 C ATOM 1632 C GLN A 103 -0.046 -7.998 -25.130 1.00 0.00 C ATOM 1633 O GLN A 103 0.470 -7.027 -25.688 1.00 0.00 O ATOM 1634 CB GLN A 103 -0.306 -6.617 -22.911 1.00 0.00 C ATOM 1635 CG GLN A 103 1.066 -5.924 -22.790 1.00 0.00 C ATOM 1636 CD GLN A 103 1.042 -4.659 -21.945 1.00 0.00 C ATOM 1637 OE1 GLN A 103 1.296 -4.674 -20.745 1.00 0.00 O ATOM 1638 NE2 GLN A 103 0.760 -3.521 -22.531 1.00 0.00 N ATOM 0 H GLN A 103 1.486 -9.010 -23.264 1.00 0.00 H new ATOM 0 HA GLN A 103 -1.382 -8.334 -23.522 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.973 -5.951 -23.459 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.718 -6.726 -21.908 1.00 0.00 H new ATOM 0 HG2 GLN A 103 1.780 -6.625 -22.358 1.00 0.00 H new ATOM 0 HG3 GLN A 103 1.427 -5.676 -23.788 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.548 -3.500 -23.528 1.00 0.00 H new ATOM 0 HE22 GLN A 103 0.753 -2.657 -21.990 1.00 0.00 H new ATOM 1647 N PHE A 104 -0.371 -9.112 -25.806 1.00 0.00 N ATOM 1648 CA PHE A 104 0.027 -9.349 -27.222 1.00 0.00 C ATOM 1649 C PHE A 104 -0.930 -10.367 -27.922 1.00 0.00 C ATOM 1650 O PHE A 104 -0.527 -11.446 -28.364 1.00 0.00 O ATOM 1651 CB PHE A 104 1.543 -9.666 -27.383 1.00 0.00 C ATOM 1652 CG PHE A 104 2.196 -10.685 -26.433 1.00 0.00 C ATOM 1653 CD1 PHE A 104 2.124 -12.066 -26.674 1.00 0.00 C ATOM 1654 CD2 PHE A 104 2.899 -10.239 -25.300 1.00 0.00 C ATOM 1655 CE1 PHE A 104 2.720 -12.976 -25.797 1.00 0.00 C ATOM 1656 CE2 PHE A 104 3.500 -11.148 -24.427 1.00 0.00 C ATOM 1657 CZ PHE A 104 3.405 -12.515 -24.674 1.00 0.00 C ATOM 0 H PHE A 104 -0.913 -9.874 -25.399 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.100 -8.410 -27.761 1.00 0.00 H new ATOM 0 HB2 PHE A 104 1.699 -10.019 -28.402 1.00 0.00 H new ATOM 0 HB3 PHE A 104 2.088 -8.727 -27.284 1.00 0.00 H new ATOM 0 HD1 PHE A 104 1.602 -12.429 -27.547 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.975 -9.180 -25.102 1.00 0.00 H new ATOM 0 HE1 PHE A 104 2.650 -14.036 -25.989 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.038 -10.791 -23.561 1.00 0.00 H new ATOM 0 HZ PHE A 104 3.863 -13.219 -23.995 1.00 0.00 H new ATOM 1667 N GLY A 105 -2.212 -9.984 -28.071 1.00 0.00 N ATOM 1668 CA GLY A 105 -3.236 -10.854 -28.699 1.00 0.00 C ATOM 1669 C GLY A 105 -3.263 -10.835 -30.235 1.00 0.00 C ATOM 1670 O GLY A 105 -4.164 -10.244 -30.835 1.00 0.00 O ATOM 0 H GLY A 105 -2.568 -9.078 -27.766 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -3.070 -11.879 -28.368 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.218 -10.555 -28.331 1.00 0.00 H new ATOM 1674 N ARG A 106 -2.298 -11.527 -30.855 1.00 0.00 N ATOM 1675 CA ARG A 106 -2.136 -11.543 -32.337 1.00 0.00 C ATOM 1676 C ARG A 106 -3.098 -12.554 -33.038 1.00 0.00 C ATOM 1677 O ARG A 106 -2.706 -13.640 -33.480 1.00 0.00 O ATOM 1678 CB ARG A 106 -0.622 -11.778 -32.592 1.00 0.00 C ATOM 1679 CG ARG A 106 -0.191 -11.796 -34.077 1.00 0.00 C ATOM 1680 CD ARG A 106 0.451 -13.134 -34.487 1.00 0.00 C ATOM 1681 NE ARG A 106 0.423 -13.319 -35.962 1.00 0.00 N ATOM 1682 CZ ARG A 106 -0.556 -13.919 -36.638 1.00 0.00 C ATOM 1683 NH1 ARG A 106 -1.644 -14.389 -36.086 1.00 0.00 N ATOM 1684 NH2 ARG A 106 -0.445 -14.044 -37.927 1.00 0.00 N ATOM 0 H ARG A 106 -1.607 -12.091 -30.360 1.00 0.00 H new ATOM 0 HA ARG A 106 -2.436 -10.599 -32.793 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -0.060 -10.998 -32.078 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.338 -12.727 -32.138 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.060 -11.605 -34.707 1.00 0.00 H new ATOM 0 HG3 ARG A 106 0.517 -10.987 -34.257 1.00 0.00 H new ATOM 0 HD2 ARG A 106 1.482 -13.168 -34.134 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.078 -13.956 -34.005 1.00 0.00 H new ATOM 0 HE ARG A 106 1.213 -12.959 -36.497 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -1.781 -14.307 -35.079 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.356 -14.838 -36.663 1.00 0.00 H new ATOM 0 HH21 ARG A 106 0.382 -13.686 -38.405 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -1.185 -14.501 -38.461 1.00 0.00 H new ATOM 1698 N ASN A 107 -4.363 -12.133 -33.173 1.00 0.00 N ATOM 1699 CA ASN A 107 -5.455 -12.986 -33.709 1.00 0.00 C ATOM 1700 C ASN A 107 -5.683 -12.691 -35.227 1.00 0.00 C ATOM 1701 O ASN A 107 -6.473 -11.823 -35.607 1.00 0.00 O ATOM 1702 CB ASN A 107 -6.746 -12.741 -32.882 1.00 0.00 C ATOM 1703 CG ASN A 107 -6.716 -13.323 -31.474 1.00 0.00 C ATOM 1704 OD1 ASN A 107 -6.836 -14.525 -31.275 1.00 0.00 O ATOM 1705 ND2 ASN A 107 -6.561 -12.513 -30.455 1.00 0.00 N ATOM 0 H ASN A 107 -4.667 -11.194 -32.917 1.00 0.00 H new ATOM 0 HA ASN A 107 -5.178 -14.037 -33.620 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -6.920 -11.667 -32.814 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.593 -13.168 -33.420 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -6.541 -12.886 -29.506 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -6.460 -11.510 -30.611 1.00 0.00 H new ATOM 1712 N LEU A 108 -4.953 -13.421 -36.083 1.00 0.00 N ATOM 1713 CA LEU A 108 -5.011 -13.249 -37.562 1.00 0.00 C ATOM 1714 C LEU A 108 -4.581 -14.589 -38.220 1.00 0.00 C ATOM 1715 O LEU A 108 -3.396 -14.949 -38.191 1.00 0.00 O ATOM 1716 CB LEU A 108 -4.135 -12.034 -37.976 1.00 0.00 C ATOM 1717 CG LEU A 108 -4.305 -11.521 -39.425 1.00 0.00 C ATOM 1718 CD1 LEU A 108 -3.823 -10.056 -39.508 1.00 0.00 C ATOM 1719 CD2 LEU A 108 -3.522 -12.330 -40.464 1.00 0.00 C ATOM 0 H LEU A 108 -4.304 -14.148 -35.782 1.00 0.00 H new ATOM 0 HA LEU A 108 -6.020 -13.024 -37.909 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -4.351 -11.210 -37.295 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -3.089 -12.303 -37.830 1.00 0.00 H new ATOM 0 HG LEU A 108 -5.365 -11.622 -39.658 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.941 -9.691 -40.528 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -4.415 -9.439 -38.831 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.772 -10.002 -39.223 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.692 -11.910 -41.455 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.458 -12.290 -40.230 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.858 -13.367 -40.447 1.00 0.00 H new ATOM 1731 N ALA A 109 -5.535 -15.316 -38.818 1.00 0.00 N ATOM 1732 CA ALA A 109 -5.246 -16.590 -39.526 1.00 0.00 C ATOM 1733 C ALA A 109 -4.620 -16.431 -40.945 1.00 0.00 C ATOM 1734 O ALA A 109 -3.556 -16.999 -41.195 1.00 0.00 O ATOM 1735 CB ALA A 109 -6.549 -17.405 -39.534 1.00 0.00 C ATOM 0 H ALA A 109 -6.520 -15.050 -38.830 1.00 0.00 H new ATOM 0 HA ALA A 109 -4.459 -17.117 -38.987 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -6.382 -18.353 -40.046 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -6.864 -17.597 -38.508 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -7.326 -16.844 -40.053 1.00 0.00 H new ATOM 1741 N ARG A 110 -5.261 -15.675 -41.852 1.00 0.00 N ATOM 1742 CA ARG A 110 -4.704 -15.360 -43.193 1.00 0.00 C ATOM 1743 C ARG A 110 -4.990 -13.881 -43.597 1.00 0.00 C ATOM 1744 O ARG A 110 -5.850 -13.198 -43.029 1.00 0.00 O ATOM 1745 CB ARG A 110 -5.135 -16.430 -44.229 1.00 0.00 C ATOM 1746 CG ARG A 110 -6.621 -16.590 -44.603 1.00 0.00 C ATOM 1747 CD ARG A 110 -7.166 -15.460 -45.482 1.00 0.00 C ATOM 1748 NE ARG A 110 -8.508 -15.800 -46.010 1.00 0.00 N ATOM 1749 CZ ARG A 110 -9.233 -15.007 -46.794 1.00 0.00 C ATOM 1750 NH1 ARG A 110 -8.848 -13.818 -47.193 1.00 0.00 N ATOM 1751 NH2 ARG A 110 -10.395 -15.437 -47.191 1.00 0.00 N ATOM 0 H ARG A 110 -6.178 -15.262 -41.684 1.00 0.00 H new ATOM 0 HA ARG A 110 -3.616 -15.420 -43.161 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -4.590 -16.226 -45.150 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -4.788 -17.395 -43.860 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -6.754 -17.538 -45.124 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -7.212 -16.643 -43.689 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -7.222 -14.538 -44.903 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -6.481 -15.276 -46.310 1.00 0.00 H new ATOM 0 HE ARG A 110 -8.903 -16.705 -45.755 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -7.942 -13.451 -46.901 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -9.454 -13.261 -47.795 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -10.725 -16.357 -46.900 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -10.976 -14.854 -47.793 1.00 0.00 H new ATOM 1765 N ASP A 111 -4.270 -13.405 -44.615 1.00 0.00 N ATOM 1766 CA ASP A 111 -4.388 -12.018 -45.123 1.00 0.00 C ATOM 1767 C ASP A 111 -5.681 -11.692 -45.945 1.00 0.00 C ATOM 1768 O ASP A 111 -6.410 -12.567 -46.429 1.00 0.00 O ATOM 1769 CB ASP A 111 -3.081 -11.699 -45.906 1.00 0.00 C ATOM 1770 CG ASP A 111 -2.927 -12.351 -47.273 1.00 0.00 C ATOM 1771 OD1 ASP A 111 -3.418 -11.783 -48.272 1.00 0.00 O ATOM 1772 OD2 ASP A 111 -2.301 -13.430 -47.360 1.00 0.00 O ATOM 0 H ASP A 111 -3.583 -13.966 -45.119 1.00 0.00 H new ATOM 0 HA ASP A 111 -4.506 -11.360 -44.262 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -3.017 -10.619 -46.035 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -2.233 -11.997 -45.289 1.00 0.00 H new ATOM 1777 N LYS A 112 -5.892 -10.388 -46.171 1.00 0.00 N ATOM 1778 CA LYS A 112 -6.596 -9.911 -47.401 1.00 0.00 C ATOM 1779 C LYS A 112 -5.747 -8.794 -48.090 1.00 0.00 C ATOM 1780 O LYS A 112 -6.153 -7.632 -48.174 1.00 0.00 O ATOM 1781 CB LYS A 112 -8.037 -9.524 -47.000 1.00 0.00 C ATOM 1782 CG LYS A 112 -9.095 -9.485 -48.116 1.00 0.00 C ATOM 1783 CD LYS A 112 -9.054 -8.332 -49.128 1.00 0.00 C ATOM 1784 CE LYS A 112 -9.307 -6.946 -48.517 1.00 0.00 C ATOM 1785 NZ LYS A 112 -9.252 -5.911 -49.586 1.00 0.00 N ATOM 0 H LYS A 112 -5.596 -9.644 -45.538 1.00 0.00 H new ATOM 0 HA LYS A 112 -6.693 -10.682 -48.166 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -8.375 -10.227 -46.239 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -8.004 -8.540 -46.532 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -9.021 -10.418 -48.674 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -10.076 -9.474 -47.641 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -8.080 -8.328 -49.618 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -9.799 -8.517 -49.902 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -10.280 -6.926 -48.027 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -8.560 -6.733 -47.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.424 -4.973 -49.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -8.314 -5.925 -50.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -9.980 -6.111 -50.301 1.00 0.00 H new ATOM 1799 N LYS A 113 -4.561 -9.167 -48.602 1.00 0.00 N ATOM 1800 CA LYS A 113 -3.695 -8.264 -49.421 1.00 0.00 C ATOM 1801 C LYS A 113 -2.769 -9.164 -50.289 1.00 0.00 C ATOM 1802 O LYS A 113 -1.580 -9.341 -49.997 1.00 0.00 O ATOM 1803 CB LYS A 113 -2.939 -7.274 -48.501 1.00 0.00 C ATOM 1804 CG LYS A 113 -2.358 -6.008 -49.162 1.00 0.00 C ATOM 1805 CD LYS A 113 -0.999 -6.184 -49.866 1.00 0.00 C ATOM 1806 CE LYS A 113 -0.386 -4.816 -50.236 1.00 0.00 C ATOM 1807 NZ LYS A 113 0.985 -4.968 -50.803 1.00 0.00 N ATOM 0 H LYS A 113 -4.166 -10.098 -48.467 1.00 0.00 H new ATOM 0 HA LYS A 113 -4.278 -7.637 -50.096 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -3.619 -6.961 -47.709 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -2.121 -7.813 -48.024 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -3.079 -5.638 -49.891 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -2.253 -5.237 -48.398 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -0.316 -6.728 -49.214 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -1.127 -6.785 -50.767 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -1.027 -4.313 -50.960 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -0.347 -4.182 -49.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 1.575 -4.165 -50.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 1.407 -5.854 -50.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 0.931 -4.991 -51.841 1.00 0.00 H new ATOM 1821 N LYS A 114 -3.325 -9.741 -51.371 1.00 0.00 N ATOM 1822 CA LYS A 114 -2.629 -10.808 -52.143 1.00 0.00 C ATOM 1823 C LYS A 114 -1.683 -10.273 -53.262 1.00 0.00 C ATOM 1824 O LYS A 114 -1.856 -10.526 -54.456 1.00 0.00 O ATOM 1825 CB LYS A 114 -3.675 -11.857 -52.623 1.00 0.00 C ATOM 1826 CG LYS A 114 -3.833 -13.051 -51.644 1.00 0.00 C ATOM 1827 CD LYS A 114 -2.671 -14.054 -51.790 1.00 0.00 C ATOM 1828 CE LYS A 114 -2.549 -15.030 -50.615 1.00 0.00 C ATOM 1829 NZ LYS A 114 -1.326 -15.847 -50.848 1.00 0.00 N ATOM 0 H LYS A 114 -4.246 -9.495 -51.734 1.00 0.00 H new ATOM 0 HA LYS A 114 -1.930 -11.314 -51.477 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.641 -11.367 -52.748 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -3.380 -12.234 -53.602 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.870 -12.681 -50.619 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -4.779 -13.557 -51.835 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -2.807 -14.622 -52.710 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -1.737 -13.502 -51.891 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -2.477 -14.489 -49.671 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -3.431 -15.667 -50.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -1.122 -16.416 -50.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -1.480 -16.478 -51.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -0.521 -15.219 -51.045 1.00 0.00 H new ATOM 1843 N GLN A 115 -0.605 -9.620 -52.813 1.00 0.00 N ATOM 1844 CA GLN A 115 0.628 -9.397 -53.614 1.00 0.00 C ATOM 1845 C GLN A 115 1.804 -10.232 -52.998 1.00 0.00 C ATOM 1846 O GLN A 115 2.791 -9.686 -52.499 1.00 0.00 O ATOM 1847 CB GLN A 115 0.827 -7.866 -53.600 1.00 0.00 C ATOM 1848 CG GLN A 115 1.934 -7.324 -54.526 1.00 0.00 C ATOM 1849 CD GLN A 115 2.099 -5.805 -54.440 1.00 0.00 C ATOM 1850 OE1 GLN A 115 1.690 -5.135 -53.492 1.00 0.00 O ATOM 1851 NE2 GLN A 115 2.731 -5.209 -55.419 1.00 0.00 N ATOM 0 H GLN A 115 -0.553 -9.223 -51.875 1.00 0.00 H new ATOM 0 HA GLN A 115 0.573 -9.737 -54.648 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -0.116 -7.394 -53.877 1.00 0.00 H new ATOM 0 HB3 GLN A 115 1.050 -7.557 -52.579 1.00 0.00 H new ATOM 0 HG2 GLN A 115 2.880 -7.801 -54.269 1.00 0.00 H new ATOM 0 HG3 GLN A 115 1.706 -7.601 -55.555 1.00 0.00 H new ATOM 0 HE21 GLN A 115 3.075 -5.753 -56.210 1.00 0.00 H new ATOM 0 HE22 GLN A 115 2.880 -4.200 -55.391 1.00 0.00 H new ATOM 1860 N ARG A 116 1.640 -11.568 -52.974 1.00 0.00 N ATOM 1861 CA ARG A 116 2.412 -12.486 -52.106 1.00 0.00 C ATOM 1862 C ARG A 116 1.852 -13.938 -52.319 1.00 0.00 C ATOM 1863 O ARG A 116 0.733 -14.248 -51.896 1.00 0.00 O ATOM 1864 CB ARG A 116 2.449 -12.114 -50.595 1.00 0.00 C ATOM 1865 CG ARG A 116 1.127 -11.734 -49.909 1.00 0.00 C ATOM 1866 CD ARG A 116 1.190 -11.767 -48.369 1.00 0.00 C ATOM 1867 NE ARG A 116 0.399 -12.887 -47.802 1.00 0.00 N ATOM 1868 CZ ARG A 116 0.765 -14.161 -47.768 1.00 0.00 C ATOM 1869 NH1 ARG A 116 1.968 -14.594 -48.025 1.00 0.00 N ATOM 1870 NH2 ARG A 116 -0.152 -15.032 -47.484 1.00 0.00 N ATOM 0 H ARG A 116 0.960 -12.049 -53.563 1.00 0.00 H new ATOM 0 HA ARG A 116 3.456 -12.406 -52.410 1.00 0.00 H new ATOM 0 HB2 ARG A 116 2.874 -12.959 -50.054 1.00 0.00 H new ATOM 0 HB3 ARG A 116 3.139 -11.279 -50.474 1.00 0.00 H new ATOM 0 HG2 ARG A 116 0.837 -10.733 -50.230 1.00 0.00 H new ATOM 0 HG3 ARG A 116 0.346 -12.415 -50.246 1.00 0.00 H new ATOM 0 HD2 ARG A 116 2.228 -11.860 -48.051 1.00 0.00 H new ATOM 0 HD3 ARG A 116 0.818 -10.823 -47.971 1.00 0.00 H new ATOM 0 HE ARG A 116 -0.510 -12.656 -47.401 1.00 0.00 H new ATOM 0 HH11 ARG A 116 2.705 -13.934 -48.273 1.00 0.00 H new ATOM 0 HH12 ARG A 116 2.172 -15.592 -47.978 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -1.107 -14.725 -47.299 1.00 0.00 H new ATOM 0 HH22 ARG A 116 0.081 -16.024 -47.446 1.00 0.00 H new ATOM 1884 N GLY A 117 2.643 -14.796 -52.979 1.00 0.00 N ATOM 1885 CA GLY A 117 2.201 -16.142 -53.442 1.00 0.00 C ATOM 1886 C GLY A 117 1.470 -17.087 -52.472 1.00 0.00 C ATOM 1887 O GLY A 117 0.280 -17.350 -52.664 1.00 0.00 O ATOM 0 H GLY A 117 3.613 -14.586 -53.213 1.00 0.00 H new ATOM 0 HA2 GLY A 117 1.548 -15.991 -54.302 1.00 0.00 H new ATOM 0 HA3 GLY A 117 3.085 -16.668 -53.802 1.00 0.00 H new ATOM 1891 N ARG A 118 2.182 -17.570 -51.453 1.00 0.00 N ATOM 1892 CA ARG A 118 1.612 -18.468 -50.411 1.00 0.00 C ATOM 1893 C ARG A 118 1.130 -17.643 -49.184 1.00 0.00 C ATOM 1894 O ARG A 118 1.948 -17.214 -48.339 1.00 0.00 O ATOM 1895 CB ARG A 118 2.688 -19.530 -50.076 1.00 0.00 C ATOM 1896 CG ARG A 118 2.186 -20.662 -49.154 1.00 0.00 C ATOM 1897 CD ARG A 118 3.285 -21.705 -48.901 1.00 0.00 C ATOM 1898 NE ARG A 118 2.755 -22.774 -48.018 1.00 0.00 N ATOM 1899 CZ ARG A 118 3.434 -23.844 -47.615 1.00 0.00 C ATOM 1900 NH1 ARG A 118 4.676 -24.086 -47.952 1.00 0.00 N ATOM 1901 NH2 ARG A 118 2.832 -24.700 -46.843 1.00 0.00 N ATOM 1902 OXT ARG A 118 -0.088 -17.361 -49.077 1.00 0.00 O ATOM 0 H ARG A 118 3.170 -17.358 -51.314 1.00 0.00 H new ATOM 0 HA ARG A 118 0.722 -18.987 -50.765 1.00 0.00 H new ATOM 0 HB2 ARG A 118 3.054 -19.967 -51.005 1.00 0.00 H new ATOM 0 HB3 ARG A 118 3.535 -19.036 -49.600 1.00 0.00 H new ATOM 0 HG2 ARG A 118 1.856 -20.241 -48.204 1.00 0.00 H new ATOM 0 HG3 ARG A 118 1.320 -21.145 -49.607 1.00 0.00 H new ATOM 0 HD2 ARG A 118 3.621 -22.132 -49.846 1.00 0.00 H new ATOM 0 HD3 ARG A 118 4.151 -21.232 -48.439 1.00 0.00 H new ATOM 0 HE ARG A 118 1.792 -22.680 -47.694 1.00 0.00 H new ATOM 0 HH11 ARG A 118 5.177 -23.435 -48.557 1.00 0.00 H new ATOM 0 HH12 ARG A 118 5.143 -24.926 -47.610 1.00 0.00 H new ATOM 0 HH21 ARG A 118 1.864 -24.541 -46.562 1.00 0.00 H new ATOM 0 HH22 ARG A 118 3.328 -25.530 -46.518 1.00 0.00 H new TER 1916 ARG A 118