USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 639 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 25 GLN : amide:sc= -0.0594 K(o=-0.7,f=-2.5!) USER MOD Set 1.2: A 27 ASN :FLIP amide:sc= -0.636 F(o=-1.3,f=-0.7) USER MOD Set 1.3: A 62 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 23 CYS SG : rot 180:sc= -0.228 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 11 CYS SG : rot 180:sc= -1.89! USER MOD Single : A 12 LYS NZ :NH3+ 155:sc= -0.147 (180deg=-0.948) USER MOD Single : A 15 GLN : amide:sc= -0.141 K(o=-0.14,f=-1.6!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 37:sc= 0.0137 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 92:sc= 0.576 USER MOD Single : A 41 TYR OH : rot 80:sc= -1.14 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -171:sc= 0 (180deg=-0.0709) USER MOD Single : A 53 GLN :FLIP amide:sc= -1.18 F(o=-1.8,f=-1.2) USER MOD Single : A 55 CYS SG : rot 180:sc= -0.137 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.16 USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0305) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 63:sc= 0.576 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 30:sc= 0.187 USER MOD Single : A 75 TYR OH : rot 180:sc= -0.261 USER MOD Single : A 76 CYS SG : rot 4:sc= -1.09 USER MOD Single : A 79 GLN : amide:sc= -7.28! C(o=-7.3!,f=-10!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 100:sc= 0.0196 USER MOD Single : A 95 CYS SG : rot 180:sc= -1.6 USER MOD Single : A 97 THR OG1 : rot 147:sc= 1.3 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -11.861 -13.111 1.381 1.00 0.00 N ATOM 67 CA PRO A 8 -10.800 -13.438 0.422 1.00 0.00 C ATOM 68 C PRO A 8 -9.504 -13.849 1.110 1.00 0.00 C ATOM 69 O PRO A 8 -9.383 -13.765 2.332 1.00 0.00 O ATOM 70 CB PRO A 8 -10.605 -12.129 -0.349 1.00 0.00 C ATOM 71 CG PRO A 8 -11.059 -11.065 0.589 1.00 0.00 C ATOM 72 CD PRO A 8 -12.173 -11.672 1.398 1.00 0.00 C ATOM 0 HA PRO A 8 -11.067 -14.285 -0.209 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.562 -11.988 -0.632 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -11.189 -12.121 -1.269 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -10.242 -10.738 1.233 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.406 -10.187 0.044 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.193 -11.277 2.414 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -13.148 -11.467 0.957 1.00 0.00 H new ATOM 80 N ASP A 9 -8.535 -14.295 0.316 1.00 0.00 N ATOM 81 CA ASP A 9 -7.245 -14.719 0.849 1.00 0.00 C ATOM 82 C ASP A 9 -6.339 -13.517 1.098 1.00 0.00 C ATOM 83 O ASP A 9 -6.530 -12.452 0.511 1.00 0.00 O ATOM 84 CB ASP A 9 -6.568 -15.694 -0.115 1.00 0.00 C ATOM 85 CG ASP A 9 -6.456 -15.136 -1.520 1.00 0.00 C ATOM 86 OD1 ASP A 9 -7.442 -14.543 -2.003 1.00 0.00 O ATOM 87 OD2 ASP A 9 -5.380 -15.292 -2.135 1.00 0.00 O ATOM 0 H ASP A 9 -8.619 -14.372 -0.698 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.419 -15.223 1.800 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -5.572 -15.936 0.257 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.133 -16.626 -0.141 1.00 0.00 H new ATOM 92 N GLN A 10 -5.353 -13.696 1.972 1.00 0.00 N ATOM 93 CA GLN A 10 -4.419 -12.626 2.299 1.00 0.00 C ATOM 94 C GLN A 10 -3.919 -11.935 1.034 1.00 0.00 C ATOM 95 O GLN A 10 -3.768 -12.567 -0.012 1.00 0.00 O ATOM 96 CB GLN A 10 -3.236 -13.179 3.094 1.00 0.00 C ATOM 97 CG GLN A 10 -2.381 -12.102 3.742 1.00 0.00 C ATOM 98 CD GLN A 10 -1.084 -12.646 4.306 1.00 0.00 C ATOM 99 OE1 GLN A 10 -1.041 -13.757 4.837 1.00 0.00 O ATOM 100 NE2 GLN A 10 -0.015 -11.865 4.195 1.00 0.00 N ATOM 0 H GLN A 10 -5.181 -14.572 2.466 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.945 -11.891 2.909 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.611 -13.848 3.868 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.611 -13.777 2.431 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.157 -11.330 3.006 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.948 -11.625 4.541 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -0.095 -10.952 3.748 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.886 -12.179 4.557 1.00 0.00 H new ATOM 109 N CYS A 11 -3.663 -10.635 1.139 1.00 0.00 N ATOM 110 CA CYS A 11 -3.179 -9.859 0.003 1.00 0.00 C ATOM 111 C CYS A 11 -1.659 -9.924 -0.094 1.00 0.00 C ATOM 112 O CYS A 11 -0.996 -10.506 0.765 1.00 0.00 O ATOM 113 CB CYS A 11 -3.632 -8.403 0.124 1.00 0.00 C ATOM 114 SG CYS A 11 -5.386 -8.143 -0.233 1.00 0.00 S ATOM 0 H CYS A 11 -3.782 -10.098 1.998 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.601 -10.290 -0.905 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.422 -8.051 1.134 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.039 -7.792 -0.556 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.673 -6.882 -0.102 1.00 0.00 H new ATOM 120 N LYS A 12 -1.112 -9.326 -1.146 1.00 0.00 N ATOM 121 CA LYS A 12 0.330 -9.315 -1.358 1.00 0.00 C ATOM 122 C LYS A 12 0.903 -7.919 -1.139 1.00 0.00 C ATOM 123 O LYS A 12 0.220 -6.908 -1.308 1.00 0.00 O ATOM 124 CB LYS A 12 0.664 -9.798 -2.771 1.00 0.00 C ATOM 125 CG LYS A 12 0.295 -11.251 -3.019 1.00 0.00 C ATOM 126 CD LYS A 12 1.444 -12.184 -2.672 1.00 0.00 C ATOM 127 CE LYS A 12 2.376 -12.385 -3.856 1.00 0.00 C ATOM 128 NZ LYS A 12 3.452 -11.357 -3.897 1.00 0.00 N ATOM 0 H LYS A 12 -1.647 -8.841 -1.867 1.00 0.00 H new ATOM 0 HA LYS A 12 0.782 -9.992 -0.633 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.142 -9.171 -3.494 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.732 -9.667 -2.948 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.580 -11.512 -2.424 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.020 -11.384 -4.065 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.005 -11.775 -1.832 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.048 -13.148 -2.352 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.824 -13.377 -3.801 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.801 -12.346 -4.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.274 -11.735 -4.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.101 -10.506 -4.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.734 -11.111 -2.927 1.00 0.00 H new ATOM 142 N PRO A 13 2.186 -7.857 -0.753 1.00 0.00 N ATOM 143 CA PRO A 13 2.878 -6.589 -0.505 1.00 0.00 C ATOM 144 C PRO A 13 3.124 -5.801 -1.787 1.00 0.00 C ATOM 145 O PRO A 13 3.629 -6.327 -2.780 1.00 0.00 O ATOM 146 CB PRO A 13 4.207 -7.026 0.118 1.00 0.00 C ATOM 147 CG PRO A 13 4.426 -8.409 -0.392 1.00 0.00 C ATOM 148 CD PRO A 13 3.060 -9.021 -0.530 1.00 0.00 C ATOM 0 HA PRO A 13 2.293 -5.923 0.129 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.020 -6.362 -0.176 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.159 -7.008 1.207 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.945 -8.394 -1.350 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.044 -8.985 0.296 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.016 -9.722 -1.363 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.774 -9.572 0.366 1.00 0.00 H new ATOM 156 N PRO A 14 2.760 -4.511 -1.769 1.00 0.00 N ATOM 157 CA PRO A 14 2.933 -3.624 -2.923 1.00 0.00 C ATOM 158 C PRO A 14 4.399 -3.307 -3.197 1.00 0.00 C ATOM 159 O PRO A 14 5.245 -3.431 -2.312 1.00 0.00 O ATOM 160 CB PRO A 14 2.180 -2.356 -2.512 1.00 0.00 C ATOM 161 CG PRO A 14 2.202 -2.370 -1.022 1.00 0.00 C ATOM 162 CD PRO A 14 2.152 -3.819 -0.621 1.00 0.00 C ATOM 0 HA PRO A 14 2.564 -4.077 -3.843 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.664 -1.463 -2.907 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.159 -2.361 -2.893 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.103 -1.890 -0.640 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.352 -1.823 -0.614 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.708 -4.001 0.299 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.129 -4.153 -0.446 1.00 0.00 H new ATOM 170 N GLN A 15 4.692 -2.900 -4.427 1.00 0.00 N ATOM 171 CA GLN A 15 6.057 -2.567 -4.817 1.00 0.00 C ATOM 172 C GLN A 15 6.270 -1.056 -4.819 1.00 0.00 C ATOM 173 O GLN A 15 5.660 -0.334 -5.608 1.00 0.00 O ATOM 174 CB GLN A 15 6.369 -3.139 -6.201 1.00 0.00 C ATOM 175 CG GLN A 15 7.855 -3.172 -6.525 1.00 0.00 C ATOM 176 CD GLN A 15 8.211 -4.256 -7.523 1.00 0.00 C ATOM 177 OE1 GLN A 15 7.569 -5.306 -7.572 1.00 0.00 O ATOM 178 NE2 GLN A 15 9.238 -4.007 -8.326 1.00 0.00 N ATOM 0 H GLN A 15 4.003 -2.793 -5.171 1.00 0.00 H new ATOM 0 HA GLN A 15 6.734 -3.010 -4.087 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.969 -4.151 -6.265 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.854 -2.544 -6.955 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.158 -2.203 -6.923 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.420 -3.330 -5.606 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.742 -3.123 -8.251 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.524 -4.699 -9.018 1.00 0.00 H new ATOM 187 N VAL A 16 7.137 -0.584 -3.930 1.00 0.00 N ATOM 188 CA VAL A 16 7.430 0.840 -3.829 1.00 0.00 C ATOM 189 C VAL A 16 8.511 1.250 -4.824 1.00 0.00 C ATOM 190 O VAL A 16 9.537 0.582 -4.954 1.00 0.00 O ATOM 191 CB VAL A 16 7.886 1.220 -2.407 1.00 0.00 C ATOM 192 CG1 VAL A 16 6.690 1.326 -1.474 1.00 0.00 C ATOM 193 CG2 VAL A 16 8.894 0.209 -1.883 1.00 0.00 C ATOM 0 H VAL A 16 7.649 -1.168 -3.269 1.00 0.00 H new ATOM 0 HA VAL A 16 6.506 1.371 -4.060 1.00 0.00 H new ATOM 0 HB VAL A 16 8.372 2.195 -2.448 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.031 1.595 -0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.008 2.092 -1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.173 0.367 -1.435 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.205 0.493 -0.878 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.437 -0.780 -1.855 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.764 0.188 -2.540 1.00 0.00 H new ATOM 203 N THR A 17 8.274 2.356 -5.523 1.00 0.00 N ATOM 204 CA THR A 17 9.226 2.856 -6.508 1.00 0.00 C ATOM 205 C THR A 17 9.618 4.299 -6.210 1.00 0.00 C ATOM 206 O THR A 17 8.854 5.226 -6.477 1.00 0.00 O ATOM 207 CB THR A 17 8.654 2.775 -7.935 1.00 0.00 C ATOM 208 OG1 THR A 17 8.353 1.415 -8.266 1.00 0.00 O ATOM 209 CG2 THR A 17 9.638 3.342 -8.946 1.00 0.00 C ATOM 0 H THR A 17 7.431 2.922 -5.425 1.00 0.00 H new ATOM 0 HA THR A 17 10.110 2.221 -6.443 1.00 0.00 H new ATOM 0 HB THR A 17 7.740 3.368 -7.970 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.988 1.373 -9.175 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.211 3.274 -9.947 1.00 0.00 H new ATOM 0 HG22 THR A 17 9.842 4.386 -8.709 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.567 2.773 -8.908 1.00 0.00 H new ATOM 217 N CYS A 18 10.811 4.480 -5.656 1.00 0.00 N ATOM 218 CA CYS A 18 11.304 5.812 -5.322 1.00 0.00 C ATOM 219 C CYS A 18 11.428 6.676 -6.573 1.00 0.00 C ATOM 220 O CYS A 18 12.318 6.469 -7.398 1.00 0.00 O ATOM 221 CB CYS A 18 12.659 5.715 -4.619 1.00 0.00 C ATOM 222 SG CYS A 18 13.935 4.875 -5.587 1.00 0.00 S ATOM 0 H CYS A 18 11.455 3.722 -5.428 1.00 0.00 H new ATOM 0 HA CYS A 18 10.586 6.280 -4.649 1.00 0.00 H new ATOM 0 HB2 CYS A 18 13.004 6.721 -4.378 1.00 0.00 H new ATOM 0 HB3 CYS A 18 12.529 5.188 -3.674 1.00 0.00 H new ATOM 0 HG CYS A 18 13.794 5.175 -6.844 1.00 0.00 H new ATOM 228 N ARG A 19 10.527 7.644 -6.708 1.00 0.00 N ATOM 229 CA ARG A 19 10.533 8.537 -7.860 1.00 0.00 C ATOM 230 C ARG A 19 11.508 9.692 -7.647 1.00 0.00 C ATOM 231 O ARG A 19 12.107 10.194 -8.598 1.00 0.00 O ATOM 232 CB ARG A 19 9.127 9.084 -8.115 1.00 0.00 C ATOM 233 CG ARG A 19 8.130 8.021 -8.548 1.00 0.00 C ATOM 234 CD ARG A 19 8.138 7.830 -10.057 1.00 0.00 C ATOM 235 NE ARG A 19 9.105 6.820 -10.476 1.00 0.00 N ATOM 236 CZ ARG A 19 9.628 6.763 -11.695 1.00 0.00 C ATOM 237 NH1 ARG A 19 9.279 7.655 -12.612 1.00 0.00 N ATOM 238 NH2 ARG A 19 10.503 5.813 -12.001 1.00 0.00 N ATOM 0 H ARG A 19 9.784 7.829 -6.034 1.00 0.00 H new ATOM 0 HA ARG A 19 10.857 7.965 -8.730 1.00 0.00 H new ATOM 0 HB2 ARG A 19 8.762 9.564 -7.207 1.00 0.00 H new ATOM 0 HB3 ARG A 19 9.180 9.855 -8.883 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.369 7.076 -8.059 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.129 8.305 -8.222 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.142 7.539 -10.391 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.372 8.778 -10.541 1.00 0.00 H new ATOM 0 HE ARG A 19 9.395 6.119 -9.794 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.607 8.387 -12.382 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.682 7.609 -13.548 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.775 5.125 -11.299 1.00 0.00 H new ATOM 0 HH22 ARG A 19 10.903 5.771 -12.938 1.00 0.00 H new ATOM 252 N SER A 20 11.661 10.107 -6.394 1.00 0.00 N ATOM 253 CA SER A 20 12.559 11.205 -6.057 1.00 0.00 C ATOM 254 C SER A 20 12.735 11.319 -4.546 1.00 0.00 C ATOM 255 O SER A 20 12.151 10.551 -3.782 1.00 0.00 O ATOM 256 CB SER A 20 12.023 12.523 -6.620 1.00 0.00 C ATOM 257 OG SER A 20 13.079 13.426 -6.899 1.00 0.00 O ATOM 0 H SER A 20 11.175 9.699 -5.595 1.00 0.00 H new ATOM 0 HA SER A 20 13.531 10.996 -6.504 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.456 12.329 -7.531 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.334 12.974 -5.906 1.00 0.00 H new ATOM 0 HG SER A 20 12.710 14.259 -7.259 1.00 0.00 H new ATOM 263 N ALA A 21 13.545 12.284 -4.122 1.00 0.00 N ATOM 264 CA ALA A 21 13.797 12.501 -2.702 1.00 0.00 C ATOM 265 C ALA A 21 12.492 12.690 -1.936 1.00 0.00 C ATOM 266 O ALA A 21 12.341 12.201 -0.816 1.00 0.00 O ATOM 267 CB ALA A 21 14.706 13.705 -2.506 1.00 0.00 C ATOM 0 H ALA A 21 14.038 12.928 -4.741 1.00 0.00 H new ATOM 0 HA ALA A 21 14.295 11.616 -2.306 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.886 13.856 -1.442 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.655 13.531 -3.013 1.00 0.00 H new ATOM 0 HB3 ALA A 21 14.229 14.592 -2.923 1.00 0.00 H new ATOM 273 N THR A 22 11.550 13.402 -2.547 1.00 0.00 N ATOM 274 CA THR A 22 10.259 13.657 -1.921 1.00 0.00 C ATOM 275 C THR A 22 9.118 13.110 -2.771 1.00 0.00 C ATOM 276 O THR A 22 8.016 13.658 -2.776 1.00 0.00 O ATOM 277 CB THR A 22 10.034 15.164 -1.690 1.00 0.00 C ATOM 278 OG1 THR A 22 9.979 15.849 -2.946 1.00 0.00 O ATOM 279 CG2 THR A 22 11.146 15.752 -0.835 1.00 0.00 C ATOM 0 H THR A 22 11.657 13.812 -3.475 1.00 0.00 H new ATOM 0 HA THR A 22 10.269 13.146 -0.958 1.00 0.00 H new ATOM 0 HB THR A 22 9.087 15.291 -1.165 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.834 16.806 -2.791 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.966 16.817 -0.685 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.167 15.248 0.131 1.00 0.00 H new ATOM 0 HG23 THR A 22 12.103 15.613 -1.337 1.00 0.00 H new ATOM 287 N CYS A 23 9.390 12.025 -3.488 1.00 0.00 N ATOM 288 CA CYS A 23 8.384 11.403 -4.343 1.00 0.00 C ATOM 289 C CYS A 23 8.481 9.881 -4.277 1.00 0.00 C ATOM 290 O CYS A 23 9.572 9.324 -4.163 1.00 0.00 O ATOM 291 CB CYS A 23 8.551 11.873 -5.788 1.00 0.00 C ATOM 292 SG CYS A 23 8.409 13.663 -6.002 1.00 0.00 S ATOM 0 H CYS A 23 10.297 11.558 -3.495 1.00 0.00 H new ATOM 0 HA CYS A 23 7.400 11.704 -3.982 1.00 0.00 H new ATOM 0 HB2 CYS A 23 9.526 11.550 -6.154 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.800 11.383 -6.407 1.00 0.00 H new ATOM 0 HG CYS A 23 8.567 13.964 -7.257 1.00 0.00 H new ATOM 298 N ALA A 24 7.332 9.218 -4.345 1.00 0.00 N ATOM 299 CA ALA A 24 7.287 7.762 -4.294 1.00 0.00 C ATOM 300 C ALA A 24 5.996 7.230 -4.907 1.00 0.00 C ATOM 301 O ALA A 24 4.986 7.931 -4.953 1.00 0.00 O ATOM 302 CB ALA A 24 7.428 7.280 -2.857 1.00 0.00 C ATOM 0 H ALA A 24 6.420 9.666 -4.436 1.00 0.00 H new ATOM 0 HA ALA A 24 8.122 7.377 -4.879 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.393 6.191 -2.833 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.380 7.621 -2.451 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.612 7.682 -2.257 1.00 0.00 H new ATOM 308 N GLN A 25 6.038 5.988 -5.378 1.00 0.00 N ATOM 309 CA GLN A 25 4.871 5.364 -5.991 1.00 0.00 C ATOM 310 C GLN A 25 4.681 3.940 -5.477 1.00 0.00 C ATOM 311 O GLN A 25 5.652 3.228 -5.220 1.00 0.00 O ATOM 312 CB GLN A 25 5.010 5.356 -7.514 1.00 0.00 C ATOM 313 CG GLN A 25 3.749 4.916 -8.239 1.00 0.00 C ATOM 314 CD GLN A 25 4.024 4.427 -9.646 1.00 0.00 C ATOM 315 OE1 GLN A 25 5.177 4.247 -10.039 1.00 0.00 O ATOM 316 NE2 GLN A 25 2.965 4.209 -10.416 1.00 0.00 N ATOM 0 H GLN A 25 6.867 5.394 -5.347 1.00 0.00 H new ATOM 0 HA GLN A 25 3.993 5.949 -5.718 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.282 6.356 -7.851 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.829 4.692 -7.792 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.267 4.121 -7.670 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.048 5.750 -8.279 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.027 4.371 -10.050 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.090 3.879 -11.373 1.00 0.00 H new ATOM 325 N VAL A 26 3.426 3.531 -5.329 1.00 0.00 N ATOM 326 CA VAL A 26 3.110 2.192 -4.847 1.00 0.00 C ATOM 327 C VAL A 26 2.331 1.401 -5.891 1.00 0.00 C ATOM 328 O VAL A 26 1.688 1.977 -6.768 1.00 0.00 O ATOM 329 CB VAL A 26 2.292 2.244 -3.543 1.00 0.00 C ATOM 330 CG1 VAL A 26 2.225 0.867 -2.899 1.00 0.00 C ATOM 331 CG2 VAL A 26 2.885 3.262 -2.582 1.00 0.00 C ATOM 0 H VAL A 26 2.611 4.108 -5.536 1.00 0.00 H new ATOM 0 HA VAL A 26 4.060 1.694 -4.653 1.00 0.00 H new ATOM 0 HB VAL A 26 1.276 2.556 -3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.643 0.924 -1.979 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.750 0.167 -3.586 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.234 0.523 -2.670 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.294 3.285 -1.666 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.912 2.983 -2.345 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.875 4.249 -3.045 1.00 0.00 H new ATOM 341 N ASN A 27 2.393 0.078 -5.792 1.00 0.00 N ATOM 342 CA ASN A 27 1.693 -0.794 -6.729 1.00 0.00 C ATOM 343 C ASN A 27 1.333 -2.122 -6.072 1.00 0.00 C ATOM 344 O ASN A 27 2.213 -2.883 -5.666 1.00 0.00 O ATOM 345 CB ASN A 27 2.555 -1.041 -7.969 1.00 0.00 C ATOM 346 CG ASN A 27 2.422 0.066 -8.996 1.00 0.00 C ATOM 347 OD1 ASN A 27 3.137 1.165 -8.777 1.00 0.00 O flip ATOM 348 ND2 ASN A 27 1.686 -0.064 -9.975 1.00 0.00 N flip ATOM 0 H ASN A 27 2.921 -0.415 -5.072 1.00 0.00 H new ATOM 0 HA ASN A 27 0.771 -0.297 -7.029 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.599 -1.132 -7.670 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.270 -1.990 -8.423 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.155 -0.926 -10.103 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.607 0.690 -10.658 1.00 0.00 H new ATOM 355 N TRP A 28 0.038 -2.396 -5.973 1.00 0.00 N ATOM 356 CA TRP A 28 -0.439 -3.633 -5.365 1.00 0.00 C ATOM 357 C TRP A 28 -1.223 -4.466 -6.372 1.00 0.00 C ATOM 358 O TRP A 28 -1.362 -4.084 -7.533 1.00 0.00 O ATOM 359 CB TRP A 28 -1.312 -3.325 -4.148 1.00 0.00 C ATOM 360 CG TRP A 28 -2.490 -2.456 -4.467 1.00 0.00 C ATOM 361 CD1 TRP A 28 -3.759 -2.870 -4.760 1.00 0.00 C ATOM 362 CD2 TRP A 28 -2.510 -1.025 -4.528 1.00 0.00 C ATOM 363 NE1 TRP A 28 -4.564 -1.783 -4.999 1.00 0.00 N ATOM 364 CE2 TRP A 28 -3.823 -0.640 -4.862 1.00 0.00 C ATOM 365 CE3 TRP A 28 -1.546 -0.033 -4.331 1.00 0.00 C ATOM 366 CZ2 TRP A 28 -4.192 0.694 -5.003 1.00 0.00 C ATOM 367 CZ3 TRP A 28 -1.914 1.291 -4.471 1.00 0.00 C ATOM 368 CH2 TRP A 28 -3.229 1.645 -4.804 1.00 0.00 C ATOM 0 H TRP A 28 -0.702 -1.778 -6.306 1.00 0.00 H new ATOM 0 HA TRP A 28 0.429 -4.209 -5.043 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.666 -4.262 -3.718 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.703 -2.835 -3.388 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -4.081 -3.900 -4.798 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.554 -1.821 -5.240 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.531 -0.297 -4.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -5.204 0.969 -5.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.177 2.066 -4.322 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.487 2.689 -4.905 1.00 0.00 H new ATOM 379 N GLU A 29 -1.735 -5.607 -5.919 1.00 0.00 N ATOM 380 CA GLU A 29 -2.505 -6.494 -6.782 1.00 0.00 C ATOM 381 C GLU A 29 -3.573 -7.238 -5.985 1.00 0.00 C ATOM 382 O GLU A 29 -3.508 -7.311 -4.757 1.00 0.00 O ATOM 383 CB GLU A 29 -1.582 -7.496 -7.476 1.00 0.00 C ATOM 384 CG GLU A 29 -0.994 -8.535 -6.535 1.00 0.00 C ATOM 385 CD GLU A 29 0.280 -9.156 -7.074 1.00 0.00 C ATOM 386 OE1 GLU A 29 1.010 -8.464 -7.816 1.00 0.00 O ATOM 387 OE2 GLU A 29 0.549 -10.332 -6.752 1.00 0.00 O ATOM 0 H GLU A 29 -1.630 -5.938 -4.960 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.999 -5.883 -7.537 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.138 -8.005 -8.263 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.769 -6.954 -7.959 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.788 -8.071 -5.571 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.730 -9.319 -6.360 1.00 0.00 H new ATOM 394 N VAL A 30 -4.555 -7.787 -6.691 1.00 0.00 N ATOM 395 CA VAL A 30 -5.637 -8.525 -6.050 1.00 0.00 C ATOM 396 C VAL A 30 -5.296 -10.006 -5.929 1.00 0.00 C ATOM 397 O VAL A 30 -4.808 -10.635 -6.868 1.00 0.00 O ATOM 398 CB VAL A 30 -6.958 -8.376 -6.829 1.00 0.00 C ATOM 399 CG1 VAL A 30 -8.122 -8.923 -6.018 1.00 0.00 C ATOM 400 CG2 VAL A 30 -7.194 -6.921 -7.203 1.00 0.00 C ATOM 0 H VAL A 30 -4.624 -7.735 -7.707 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.762 -8.101 -5.054 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.884 -8.956 -7.749 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.046 -8.809 -6.585 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.954 -9.979 -5.807 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.202 -8.374 -5.080 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.131 -6.834 -7.753 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.247 -6.317 -6.297 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.373 -6.568 -7.827 1.00 0.00 H new ATOM 410 N PRO A 31 -5.558 -10.579 -4.745 1.00 0.00 N ATOM 411 CA PRO A 31 -5.287 -11.994 -4.472 1.00 0.00 C ATOM 412 C PRO A 31 -6.223 -12.921 -5.239 1.00 0.00 C ATOM 413 O PRO A 31 -6.879 -12.506 -6.196 1.00 0.00 O ATOM 414 CB PRO A 31 -5.528 -12.117 -2.966 1.00 0.00 C ATOM 415 CG PRO A 31 -6.477 -11.016 -2.643 1.00 0.00 C ATOM 416 CD PRO A 31 -6.140 -9.889 -3.581 1.00 0.00 C ATOM 0 HA PRO A 31 -4.283 -12.284 -4.782 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.948 -13.090 -2.711 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.598 -12.015 -2.407 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.509 -11.339 -2.776 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.373 -10.703 -1.604 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -7.025 -9.315 -3.855 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.433 -9.190 -3.133 1.00 0.00 H new ATOM 424 N LEU A 32 -6.282 -14.179 -4.814 1.00 0.00 N ATOM 425 CA LEU A 32 -7.139 -15.166 -5.460 1.00 0.00 C ATOM 426 C LEU A 32 -8.469 -15.297 -4.725 1.00 0.00 C ATOM 427 O LEU A 32 -8.621 -16.142 -3.843 1.00 0.00 O ATOM 428 CB LEU A 32 -6.436 -16.524 -5.515 1.00 0.00 C ATOM 429 CG LEU A 32 -6.926 -17.491 -6.593 1.00 0.00 C ATOM 430 CD1 LEU A 32 -6.528 -16.997 -7.975 1.00 0.00 C ATOM 431 CD2 LEU A 32 -6.377 -18.888 -6.345 1.00 0.00 C ATOM 0 H LEU A 32 -5.746 -14.539 -4.024 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.339 -14.827 -6.476 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.370 -16.353 -5.666 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.547 -17.007 -4.544 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.014 -17.536 -6.546 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.885 -17.698 -8.729 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.970 -16.017 -8.152 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.442 -16.921 -8.036 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.736 -19.563 -7.122 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.288 -18.859 -6.364 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.714 -19.244 -5.371 1.00 0.00 H new ATOM 501 N VAL A 38 -12.736 -8.670 -4.242 1.00 0.00 N ATOM 502 CA VAL A 38 -12.409 -7.398 -3.610 1.00 0.00 C ATOM 503 C VAL A 38 -13.195 -6.253 -4.238 1.00 0.00 C ATOM 504 O VAL A 38 -13.238 -6.111 -5.460 1.00 0.00 O ATOM 505 CB VAL A 38 -10.903 -7.090 -3.713 1.00 0.00 C ATOM 506 CG1 VAL A 38 -10.553 -5.857 -2.894 1.00 0.00 C ATOM 507 CG2 VAL A 38 -10.083 -8.290 -3.265 1.00 0.00 C ATOM 0 HA VAL A 38 -12.683 -7.488 -2.559 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.662 -6.883 -4.756 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.485 -5.655 -2.979 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.115 -5.001 -3.267 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.807 -6.030 -1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.022 -8.055 -3.344 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.325 -8.530 -2.230 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.314 -9.146 -3.900 1.00 0.00 H new ATOM 517 N THR A 39 -13.817 -5.435 -3.394 1.00 0.00 N ATOM 518 CA THR A 39 -14.603 -4.303 -3.866 1.00 0.00 C ATOM 519 C THR A 39 -13.903 -2.983 -3.562 1.00 0.00 C ATOM 520 O THR A 39 -14.114 -1.986 -4.251 1.00 0.00 O ATOM 521 CB THR A 39 -16.005 -4.285 -3.227 1.00 0.00 C ATOM 522 OG1 THR A 39 -15.904 -4.520 -1.818 1.00 0.00 O ATOM 523 CG2 THR A 39 -16.900 -5.340 -3.859 1.00 0.00 C ATOM 0 H THR A 39 -13.791 -5.536 -2.379 1.00 0.00 H new ATOM 0 HA THR A 39 -14.705 -4.418 -4.945 1.00 0.00 H new ATOM 0 HB THR A 39 -16.447 -3.304 -3.400 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.827 -3.663 -1.348 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.885 -5.309 -3.392 1.00 0.00 H new ATOM 0 HG22 THR A 39 -16.998 -5.142 -4.926 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.460 -6.326 -3.712 1.00 0.00 H new ATOM 531 N GLU A 40 -13.068 -2.986 -2.528 1.00 0.00 N ATOM 532 CA GLU A 40 -12.336 -1.788 -2.134 1.00 0.00 C ATOM 533 C GLU A 40 -10.905 -2.131 -1.731 1.00 0.00 C ATOM 534 O GLU A 40 -10.555 -3.302 -1.579 1.00 0.00 O ATOM 535 CB GLU A 40 -13.049 -1.085 -0.976 1.00 0.00 C ATOM 536 CG GLU A 40 -14.072 -0.056 -1.426 1.00 0.00 C ATOM 537 CD GLU A 40 -15.296 -0.687 -2.059 1.00 0.00 C ATOM 538 OE1 GLU A 40 -15.804 -1.686 -1.505 1.00 0.00 O ATOM 539 OE2 GLU A 40 -15.749 -0.183 -3.109 1.00 0.00 O ATOM 0 H GLU A 40 -12.882 -3.804 -1.948 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.302 -1.117 -2.992 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -13.546 -1.833 -0.359 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.306 -0.595 -0.347 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -14.379 0.544 -0.569 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.608 0.624 -2.141 1.00 0.00 H new ATOM 546 N TYR A 41 -10.082 -1.103 -1.560 1.00 0.00 N ATOM 547 CA TYR A 41 -8.688 -1.295 -1.178 1.00 0.00 C ATOM 548 C TYR A 41 -8.198 -0.142 -0.307 1.00 0.00 C ATOM 549 O TYR A 41 -8.124 1.002 -0.756 1.00 0.00 O ATOM 550 CB TYR A 41 -7.808 -1.418 -2.422 1.00 0.00 C ATOM 551 CG TYR A 41 -8.269 -2.488 -3.387 1.00 0.00 C ATOM 552 CD1 TYR A 41 -9.422 -2.320 -4.143 1.00 0.00 C ATOM 553 CD2 TYR A 41 -7.551 -3.668 -3.540 1.00 0.00 C ATOM 554 CE1 TYR A 41 -9.847 -3.296 -5.024 1.00 0.00 C ATOM 555 CE2 TYR A 41 -7.968 -4.648 -4.419 1.00 0.00 C ATOM 556 CZ TYR A 41 -9.116 -4.457 -5.159 1.00 0.00 C ATOM 557 OH TYR A 41 -9.535 -5.431 -6.036 1.00 0.00 O ATOM 0 H TYR A 41 -10.356 -0.128 -1.680 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.620 -2.217 -0.601 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.788 -0.459 -2.939 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -6.785 -1.635 -2.113 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -9.996 -1.411 -4.041 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.652 -3.821 -2.962 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -10.747 -3.150 -5.603 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -7.398 -5.559 -4.526 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.271 -5.186 -6.947 1.00 0.00 H new ATOM 567 N ARG A 42 -7.864 -0.453 0.942 1.00 0.00 N ATOM 568 CA ARG A 42 -7.381 0.556 1.876 1.00 0.00 C ATOM 569 C ARG A 42 -5.859 0.518 1.980 1.00 0.00 C ATOM 570 O ARG A 42 -5.286 -0.445 2.491 1.00 0.00 O ATOM 571 CB ARG A 42 -8.003 0.340 3.258 1.00 0.00 C ATOM 572 CG ARG A 42 -9.334 1.051 3.445 1.00 0.00 C ATOM 573 CD ARG A 42 -10.000 0.651 4.752 1.00 0.00 C ATOM 574 NE ARG A 42 -11.383 1.113 4.825 1.00 0.00 N ATOM 575 CZ ARG A 42 -12.117 1.064 5.932 1.00 0.00 C ATOM 576 NH1 ARG A 42 -11.602 0.578 7.052 1.00 0.00 N ATOM 577 NH2 ARG A 42 -13.369 1.503 5.918 1.00 0.00 N ATOM 0 H ARG A 42 -7.919 -1.395 1.329 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.677 1.535 1.500 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.146 -0.728 3.420 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.305 0.687 4.020 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.177 2.130 3.431 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -9.995 0.814 2.611 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.974 -0.434 4.855 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.435 1.064 5.588 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.809 1.494 3.980 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.640 0.240 7.066 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.168 0.542 7.900 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.768 1.878 5.058 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.932 1.465 6.768 1.00 0.00 H new ATOM 591 N LEU A 43 -5.211 1.569 1.492 1.00 0.00 N ATOM 592 CA LEU A 43 -3.757 1.657 1.528 1.00 0.00 C ATOM 593 C LEU A 43 -3.298 2.670 2.572 1.00 0.00 C ATOM 594 O LEU A 43 -3.625 3.852 2.488 1.00 0.00 O ATOM 595 CB LEU A 43 -3.214 2.045 0.152 1.00 0.00 C ATOM 596 CG LEU A 43 -1.698 2.217 0.052 1.00 0.00 C ATOM 597 CD1 LEU A 43 -1.000 0.871 0.158 1.00 0.00 C ATOM 598 CD2 LEU A 43 -1.325 2.913 -1.249 1.00 0.00 C ATOM 0 H LEU A 43 -5.671 2.374 1.066 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.366 0.677 1.802 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.521 1.284 -0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.686 2.979 -0.152 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.367 2.841 0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.078 1.013 0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.241 0.411 1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.336 0.222 -0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.242 3.027 -1.303 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.670 2.316 -2.093 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.796 3.896 -1.284 1.00 0.00 H new ATOM 610 N GLU A 44 -2.536 2.197 3.555 1.00 0.00 N ATOM 611 CA GLU A 44 -2.032 3.062 4.614 1.00 0.00 C ATOM 612 C GLU A 44 -0.582 3.455 4.351 1.00 0.00 C ATOM 613 O GLU A 44 0.170 2.711 3.721 1.00 0.00 O ATOM 614 CB GLU A 44 -2.144 2.364 5.971 1.00 0.00 C ATOM 615 CG GLU A 44 -3.574 2.042 6.373 1.00 0.00 C ATOM 616 CD GLU A 44 -3.652 1.251 7.665 1.00 0.00 C ATOM 617 OE1 GLU A 44 -2.680 1.298 8.448 1.00 0.00 O ATOM 618 OE2 GLU A 44 -4.685 0.587 7.892 1.00 0.00 O ATOM 0 H GLU A 44 -2.255 1.220 3.639 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.639 3.967 4.628 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.566 1.440 5.944 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.695 2.999 6.735 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.134 2.970 6.485 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.053 1.475 5.575 1.00 0.00 H new ATOM 625 N TRP A 45 -0.196 4.629 4.837 1.00 0.00 N ATOM 626 CA TRP A 45 1.164 5.123 4.654 1.00 0.00 C ATOM 627 C TRP A 45 1.591 5.993 5.831 1.00 0.00 C ATOM 628 O TRP A 45 0.997 7.039 6.090 1.00 0.00 O ATOM 629 CB TRP A 45 1.269 5.919 3.351 1.00 0.00 C ATOM 630 CG TRP A 45 2.657 6.403 3.062 1.00 0.00 C ATOM 631 CD1 TRP A 45 3.335 7.391 3.718 1.00 0.00 C ATOM 632 CD2 TRP A 45 3.537 5.922 2.039 1.00 0.00 C ATOM 633 NE1 TRP A 45 4.583 7.553 3.165 1.00 0.00 N ATOM 634 CE2 TRP A 45 4.732 6.664 2.134 1.00 0.00 C ATOM 635 CE3 TRP A 45 3.433 4.936 1.054 1.00 0.00 C ATOM 636 CZ2 TRP A 45 5.809 6.449 1.281 1.00 0.00 C ATOM 637 CZ3 TRP A 45 4.505 4.725 0.207 1.00 0.00 C ATOM 638 CH2 TRP A 45 5.680 5.477 0.325 1.00 0.00 C ATOM 0 H TRP A 45 -0.806 5.257 5.361 1.00 0.00 H new ATOM 0 HA TRP A 45 1.832 4.263 4.601 1.00 0.00 H new ATOM 0 HB2 TRP A 45 0.930 5.295 2.524 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.596 6.775 3.401 1.00 0.00 H new ATOM 0 HD1 TRP A 45 2.947 7.961 4.549 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.285 8.226 3.473 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.531 4.349 0.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 6.716 7.029 1.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.435 3.967 -0.559 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.501 5.287 -0.351 1.00 0.00 H new ATOM 649 N GLY A 46 2.625 5.553 6.542 1.00 0.00 N ATOM 650 CA GLY A 46 3.114 6.303 7.684 1.00 0.00 C ATOM 651 C GLY A 46 4.601 6.114 7.910 1.00 0.00 C ATOM 652 O GLY A 46 5.117 5.003 7.792 1.00 0.00 O ATOM 0 H GLY A 46 3.133 4.690 6.347 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.904 7.362 7.536 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.572 5.993 8.577 1.00 0.00 H new ATOM 656 N GLY A 47 5.292 7.203 8.234 1.00 0.00 N ATOM 657 CA GLY A 47 6.722 7.130 8.469 1.00 0.00 C ATOM 658 C GLY A 47 7.127 5.860 9.190 1.00 0.00 C ATOM 659 O GLY A 47 8.046 5.160 8.762 1.00 0.00 O ATOM 0 H GLY A 47 4.887 8.133 8.338 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.247 7.186 7.515 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.035 7.993 9.056 1.00 0.00 H new ATOM 663 N VAL A 48 6.442 5.561 10.289 1.00 0.00 N ATOM 664 CA VAL A 48 6.735 4.365 11.071 1.00 0.00 C ATOM 665 C VAL A 48 5.598 3.355 10.980 1.00 0.00 C ATOM 666 O VAL A 48 4.459 3.656 11.335 1.00 0.00 O ATOM 667 CB VAL A 48 6.983 4.711 12.552 1.00 0.00 C ATOM 668 CG1 VAL A 48 6.855 3.468 13.418 1.00 0.00 C ATOM 669 CG2 VAL A 48 8.351 5.355 12.726 1.00 0.00 C ATOM 0 H VAL A 48 5.680 6.130 10.658 1.00 0.00 H new ATOM 0 HA VAL A 48 7.640 3.926 10.651 1.00 0.00 H new ATOM 0 HB VAL A 48 6.227 5.427 12.873 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.033 3.731 14.461 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.852 3.054 13.315 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.588 2.726 13.101 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.510 5.593 13.778 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.124 4.664 12.389 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.400 6.270 12.136 1.00 0.00 H new ATOM 679 N GLU A 49 5.915 2.156 10.501 1.00 0.00 N ATOM 680 CA GLU A 49 4.918 1.101 10.363 1.00 0.00 C ATOM 681 C GLU A 49 4.064 0.991 11.623 1.00 0.00 C ATOM 682 O GLU A 49 2.882 0.659 11.558 1.00 0.00 O ATOM 683 CB GLU A 49 5.598 -0.239 10.075 1.00 0.00 C ATOM 684 CG GLU A 49 6.407 -0.774 11.245 1.00 0.00 C ATOM 685 CD GLU A 49 6.825 -2.220 11.053 1.00 0.00 C ATOM 686 OE1 GLU A 49 7.867 -2.456 10.407 1.00 0.00 O ATOM 687 OE2 GLU A 49 6.108 -3.114 11.548 1.00 0.00 O ATOM 0 H GLU A 49 6.854 1.891 10.202 1.00 0.00 H new ATOM 0 HA GLU A 49 4.268 1.357 9.526 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.838 -0.972 9.804 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.254 -0.126 9.212 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.296 -0.158 11.379 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.818 -0.688 12.158 1.00 0.00 H new ATOM 694 N GLY A 50 4.675 1.272 12.771 1.00 0.00 N ATOM 695 CA GLY A 50 3.957 1.199 14.030 1.00 0.00 C ATOM 696 C GLY A 50 2.700 2.046 14.032 1.00 0.00 C ATOM 697 O GLY A 50 1.686 1.663 14.615 1.00 0.00 O ATOM 0 H GLY A 50 5.654 1.549 12.851 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.692 0.161 14.234 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.612 1.525 14.838 1.00 0.00 H new ATOM 701 N SER A 51 2.767 3.201 13.377 1.00 0.00 N ATOM 702 CA SER A 51 1.627 4.108 13.310 1.00 0.00 C ATOM 703 C SER A 51 1.407 4.599 11.882 1.00 0.00 C ATOM 704 O SER A 51 2.180 5.405 11.366 1.00 0.00 O ATOM 705 CB SER A 51 1.841 5.300 14.245 1.00 0.00 C ATOM 706 OG SER A 51 0.697 6.136 14.276 1.00 0.00 O ATOM 0 H SER A 51 3.598 3.530 12.886 1.00 0.00 H new ATOM 0 HA SER A 51 0.739 3.561 13.628 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.061 4.942 15.251 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.706 5.875 13.915 1.00 0.00 H new ATOM 0 HG SER A 51 0.859 6.889 14.882 1.00 0.00 H new ATOM 712 N MET A 52 0.345 4.107 11.251 1.00 0.00 N ATOM 713 CA MET A 52 0.022 4.496 9.884 1.00 0.00 C ATOM 714 C MET A 52 -1.484 4.657 9.706 1.00 0.00 C ATOM 715 O MET A 52 -2.272 4.017 10.402 1.00 0.00 O ATOM 716 CB MET A 52 0.557 3.458 8.895 1.00 0.00 C ATOM 717 CG MET A 52 2.034 3.150 9.077 1.00 0.00 C ATOM 718 SD MET A 52 2.814 2.565 7.560 1.00 0.00 S ATOM 719 CE MET A 52 1.863 1.080 7.243 1.00 0.00 C ATOM 0 H MET A 52 -0.305 3.439 11.665 1.00 0.00 H new ATOM 0 HA MET A 52 0.498 5.456 9.684 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.014 2.536 9.004 1.00 0.00 H new ATOM 0 HB3 MET A 52 0.392 3.817 7.879 1.00 0.00 H new ATOM 0 HG2 MET A 52 2.548 4.047 9.423 1.00 0.00 H new ATOM 0 HG3 MET A 52 2.151 2.396 9.855 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.325 0.519 6.431 1.00 0.00 H new ATOM 0 HE2 MET A 52 1.839 0.464 8.142 1.00 0.00 H new ATOM 0 HE3 MET A 52 0.845 1.352 6.963 1.00 0.00 H new ATOM 729 N GLN A 53 -1.877 5.514 8.769 1.00 0.00 N ATOM 730 CA GLN A 53 -3.289 5.758 8.502 1.00 0.00 C ATOM 731 C GLN A 53 -3.597 5.603 7.016 1.00 0.00 C ATOM 732 O GLN A 53 -2.688 5.510 6.191 1.00 0.00 O ATOM 733 CB GLN A 53 -3.685 7.159 8.972 1.00 0.00 C ATOM 734 CG GLN A 53 -3.035 8.276 8.171 1.00 0.00 C ATOM 735 CD GLN A 53 -1.579 8.485 8.536 1.00 0.00 C ATOM 736 OE1 GLN A 53 -0.707 8.454 7.535 1.00 0.00 O flip ATOM 737 NE2 GLN A 53 -1.240 8.672 9.704 1.00 0.00 N flip ATOM 0 H GLN A 53 -1.238 6.050 8.183 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.869 5.019 9.055 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.768 7.261 8.910 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.414 7.271 10.022 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.110 8.047 7.108 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.584 9.203 8.336 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.943 8.688 10.443 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -0.256 8.811 9.933 1.00 0.00 H new ATOM 746 N ILE A 54 -4.883 5.573 6.684 1.00 0.00 N ATOM 747 CA ILE A 54 -5.310 5.428 5.297 1.00 0.00 C ATOM 748 C ILE A 54 -4.842 6.608 4.452 1.00 0.00 C ATOM 749 O ILE A 54 -5.310 7.734 4.627 1.00 0.00 O ATOM 750 CB ILE A 54 -6.842 5.310 5.189 1.00 0.00 C ATOM 751 CG1 ILE A 54 -7.356 4.205 6.115 1.00 0.00 C ATOM 752 CG2 ILE A 54 -7.251 5.036 3.750 1.00 0.00 C ATOM 753 CD1 ILE A 54 -6.904 2.819 5.711 1.00 0.00 C ATOM 0 H ILE A 54 -5.647 5.647 7.355 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.856 4.511 4.921 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.288 6.255 5.499 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.017 4.407 7.131 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.446 4.233 6.131 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.336 4.955 3.689 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.912 5.853 3.113 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.798 4.103 3.414 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.305 2.087 6.412 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.265 2.597 4.707 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.815 2.774 5.723 1.00 0.00 H new ATOM 765 N CYS A 55 -3.918 6.342 3.536 1.00 0.00 N ATOM 766 CA CYS A 55 -3.386 7.382 2.663 1.00 0.00 C ATOM 767 C CYS A 55 -4.232 7.516 1.400 1.00 0.00 C ATOM 768 O CYS A 55 -4.550 8.624 0.968 1.00 0.00 O ATOM 769 CB CYS A 55 -1.936 7.071 2.288 1.00 0.00 C ATOM 770 SG CYS A 55 -0.977 8.519 1.785 1.00 0.00 S ATOM 0 H CYS A 55 -3.522 5.415 3.378 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.419 8.328 3.204 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.444 6.601 3.140 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.930 6.344 1.476 1.00 0.00 H new ATOM 0 HG CYS A 55 0.236 8.155 1.490 1.00 0.00 H new ATOM 776 N TYR A 56 -4.591 6.381 0.812 1.00 0.00 N ATOM 777 CA TYR A 56 -5.396 6.371 -0.403 1.00 0.00 C ATOM 778 C TYR A 56 -6.456 5.275 -0.346 1.00 0.00 C ATOM 779 O TYR A 56 -6.231 4.207 0.226 1.00 0.00 O ATOM 780 CB TYR A 56 -4.505 6.169 -1.630 1.00 0.00 C ATOM 781 CG TYR A 56 -5.265 5.759 -2.871 1.00 0.00 C ATOM 782 CD1 TYR A 56 -5.885 4.518 -2.950 1.00 0.00 C ATOM 783 CD2 TYR A 56 -5.363 6.612 -3.963 1.00 0.00 C ATOM 784 CE1 TYR A 56 -6.579 4.138 -4.083 1.00 0.00 C ATOM 785 CE2 TYR A 56 -6.057 6.241 -5.098 1.00 0.00 C ATOM 786 CZ TYR A 56 -6.663 5.002 -5.154 1.00 0.00 C ATOM 787 OH TYR A 56 -7.355 4.629 -6.282 1.00 0.00 O ATOM 0 H TYR A 56 -4.337 5.455 1.157 1.00 0.00 H new ATOM 0 HA TYR A 56 -5.899 7.335 -0.482 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -3.966 7.095 -1.834 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -3.758 5.408 -1.404 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.824 3.839 -2.112 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -4.889 7.581 -3.924 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -7.053 3.169 -4.129 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.125 6.917 -5.938 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.319 5.352 -6.942 1.00 0.00 H new ATOM 797 N CYS A 57 -7.610 5.546 -0.943 1.00 0.00 N ATOM 798 CA CYS A 57 -8.707 4.584 -0.961 1.00 0.00 C ATOM 799 C CYS A 57 -9.355 4.525 -2.340 1.00 0.00 C ATOM 800 O CYS A 57 -9.284 5.479 -3.113 1.00 0.00 O ATOM 801 CB CYS A 57 -9.754 4.952 0.093 1.00 0.00 C ATOM 802 SG CYS A 57 -11.029 6.088 -0.499 1.00 0.00 S ATOM 0 H CYS A 57 -7.811 6.424 -1.421 1.00 0.00 H new ATOM 0 HA CYS A 57 -8.299 3.600 -0.729 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.232 4.039 0.449 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -9.250 5.402 0.948 1.00 0.00 H new ATOM 0 HG CYS A 57 -11.868 6.337 0.462 1.00 0.00 H new ATOM 808 N GLY A 58 -9.989 3.395 -2.643 1.00 0.00 N ATOM 809 CA GLY A 58 -10.640 3.231 -3.930 1.00 0.00 C ATOM 810 C GLY A 58 -10.277 1.920 -4.600 1.00 0.00 C ATOM 811 O GLY A 58 -9.393 1.191 -4.148 1.00 0.00 O ATOM 0 H GLY A 58 -10.063 2.591 -2.020 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.721 3.280 -3.796 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.362 4.058 -4.583 1.00 0.00 H new ATOM 815 N PRO A 59 -10.972 1.603 -5.702 1.00 0.00 N ATOM 816 CA PRO A 59 -10.736 0.370 -6.458 1.00 0.00 C ATOM 817 C PRO A 59 -9.397 0.382 -7.187 1.00 0.00 C ATOM 818 O PRO A 59 -8.946 -0.643 -7.695 1.00 0.00 O ATOM 819 CB PRO A 59 -11.892 0.343 -7.462 1.00 0.00 C ATOM 820 CG PRO A 59 -12.281 1.771 -7.629 1.00 0.00 C ATOM 821 CD PRO A 59 -12.040 2.424 -6.296 1.00 0.00 C ATOM 0 HA PRO A 59 -10.696 -0.504 -5.808 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -11.583 -0.097 -8.410 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -12.725 -0.254 -7.091 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -11.689 2.248 -8.410 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.327 1.859 -7.923 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.733 3.464 -6.408 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.939 2.422 -5.679 1.00 0.00 H new ATOM 829 N GLY A 60 -8.765 1.552 -7.233 1.00 0.00 N ATOM 830 CA GLY A 60 -7.483 1.676 -7.902 1.00 0.00 C ATOM 831 C GLY A 60 -6.517 0.575 -7.513 1.00 0.00 C ATOM 832 O GLY A 60 -6.701 -0.091 -6.492 1.00 0.00 O ATOM 0 H GLY A 60 -9.118 2.415 -6.819 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.636 1.656 -8.981 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.043 2.643 -7.660 1.00 0.00 H new ATOM 836 N LEU A 61 -5.487 0.379 -8.327 1.00 0.00 N ATOM 837 CA LEU A 61 -4.487 -0.652 -8.064 1.00 0.00 C ATOM 838 C LEU A 61 -3.104 -0.035 -7.884 1.00 0.00 C ATOM 839 O LEU A 61 -2.193 -0.674 -7.357 1.00 0.00 O ATOM 840 CB LEU A 61 -4.461 -1.668 -9.207 1.00 0.00 C ATOM 841 CG LEU A 61 -5.732 -2.497 -9.396 1.00 0.00 C ATOM 842 CD1 LEU A 61 -5.694 -3.236 -10.725 1.00 0.00 C ATOM 843 CD2 LEU A 61 -5.908 -3.476 -8.244 1.00 0.00 C ATOM 0 H LEU A 61 -5.321 0.920 -9.176 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.760 -1.162 -7.140 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.257 -1.135 -10.136 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.627 -2.350 -9.041 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.586 -1.820 -9.404 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.606 -3.821 -10.842 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.617 -2.516 -11.540 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.831 -3.902 -10.747 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.818 -4.057 -8.396 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.051 -4.148 -8.203 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.982 -2.925 -7.306 1.00 0.00 H new ATOM 855 N SER A 62 -2.954 1.210 -8.325 1.00 0.00 N ATOM 856 CA SER A 62 -1.681 1.912 -8.215 1.00 0.00 C ATOM 857 C SER A 62 -1.896 3.368 -7.808 1.00 0.00 C ATOM 858 O SER A 62 -2.771 4.050 -8.343 1.00 0.00 O ATOM 859 CB SER A 62 -0.922 1.848 -9.541 1.00 0.00 C ATOM 860 OG SER A 62 -1.174 0.627 -10.214 1.00 0.00 O ATOM 0 H SER A 62 -3.699 1.753 -8.762 1.00 0.00 H new ATOM 0 HA SER A 62 -1.090 1.421 -7.443 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.219 2.684 -10.174 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.147 1.952 -9.357 1.00 0.00 H new ATOM 0 HG SER A 62 -0.679 0.611 -11.059 1.00 0.00 H new ATOM 866 N TYR A 63 -1.093 3.835 -6.860 1.00 0.00 N ATOM 867 CA TYR A 63 -1.196 5.208 -6.379 1.00 0.00 C ATOM 868 C TYR A 63 0.169 5.887 -6.374 1.00 0.00 C ATOM 869 O TYR A 63 1.199 5.234 -6.206 1.00 0.00 O ATOM 870 CB TYR A 63 -1.797 5.234 -4.972 1.00 0.00 C ATOM 871 CG TYR A 63 -1.810 6.610 -4.345 1.00 0.00 C ATOM 872 CD1 TYR A 63 -2.314 7.704 -5.037 1.00 0.00 C ATOM 873 CD2 TYR A 63 -1.318 6.815 -3.062 1.00 0.00 C ATOM 874 CE1 TYR A 63 -2.328 8.964 -4.468 1.00 0.00 C ATOM 875 CE2 TYR A 63 -1.329 8.070 -2.485 1.00 0.00 C ATOM 876 CZ TYR A 63 -1.834 9.141 -3.192 1.00 0.00 C ATOM 877 OH TYR A 63 -1.846 10.393 -2.621 1.00 0.00 O ATOM 0 H TYR A 63 -0.363 3.284 -6.409 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.851 5.755 -7.057 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.818 4.854 -5.015 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.231 4.557 -4.332 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -2.701 7.568 -6.036 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.920 5.979 -2.506 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.723 9.805 -5.019 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.944 8.212 -1.486 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.464 10.345 -1.720 1.00 0.00 H new ATOM 887 N GLU A 64 0.168 7.204 -6.559 1.00 0.00 N ATOM 888 CA GLU A 64 1.408 7.972 -6.576 1.00 0.00 C ATOM 889 C GLU A 64 1.457 8.949 -5.404 1.00 0.00 C ATOM 890 O GLU A 64 0.704 9.923 -5.362 1.00 0.00 O ATOM 891 CB GLU A 64 1.543 8.734 -7.896 1.00 0.00 C ATOM 892 CG GLU A 64 2.926 9.323 -8.119 1.00 0.00 C ATOM 893 CD GLU A 64 3.209 9.607 -9.582 1.00 0.00 C ATOM 894 OE1 GLU A 64 2.502 10.451 -10.171 1.00 0.00 O ATOM 895 OE2 GLU A 64 4.139 8.985 -10.136 1.00 0.00 O ATOM 0 H GLU A 64 -0.676 7.760 -6.699 1.00 0.00 H new ATOM 0 HA GLU A 64 2.240 7.275 -6.481 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.306 8.061 -8.720 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.807 9.538 -7.919 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.020 10.247 -7.548 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.677 8.633 -7.734 1.00 0.00 H new ATOM 902 N ILE A 65 2.349 8.681 -4.456 1.00 0.00 N ATOM 903 CA ILE A 65 2.498 9.536 -3.286 1.00 0.00 C ATOM 904 C ILE A 65 3.575 10.593 -3.509 1.00 0.00 C ATOM 905 O ILE A 65 4.557 10.356 -4.214 1.00 0.00 O ATOM 906 CB ILE A 65 2.853 8.717 -2.031 1.00 0.00 C ATOM 907 CG1 ILE A 65 1.624 7.954 -1.530 1.00 0.00 C ATOM 908 CG2 ILE A 65 3.401 9.625 -0.941 1.00 0.00 C ATOM 909 CD1 ILE A 65 1.959 6.832 -0.572 1.00 0.00 C ATOM 0 H ILE A 65 2.979 7.879 -4.476 1.00 0.00 H new ATOM 0 HA ILE A 65 1.537 10.026 -3.131 1.00 0.00 H new ATOM 0 HB ILE A 65 3.625 7.994 -2.294 1.00 0.00 H new ATOM 0 HG12 ILE A 65 0.949 8.653 -1.036 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.088 7.543 -2.385 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.647 9.030 -0.061 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.299 10.126 -1.302 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.651 10.370 -0.677 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.041 6.335 -0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.610 6.112 -1.068 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.468 7.239 0.302 1.00 0.00 H new ATOM 921 N LYS A 66 3.386 11.760 -2.902 1.00 0.00 N ATOM 922 CA LYS A 66 4.342 12.854 -3.032 1.00 0.00 C ATOM 923 C LYS A 66 4.441 13.646 -1.733 1.00 0.00 C ATOM 924 O LYS A 66 3.717 13.380 -0.775 1.00 0.00 O ATOM 925 CB LYS A 66 3.934 13.782 -4.179 1.00 0.00 C ATOM 926 CG LYS A 66 4.238 13.217 -5.556 1.00 0.00 C ATOM 927 CD LYS A 66 4.437 14.321 -6.579 1.00 0.00 C ATOM 928 CE LYS A 66 3.109 14.830 -7.119 1.00 0.00 C ATOM 929 NZ LYS A 66 2.512 13.884 -8.102 1.00 0.00 N ATOM 0 H LYS A 66 2.579 11.973 -2.315 1.00 0.00 H new ATOM 0 HA LYS A 66 5.320 12.425 -3.251 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.866 13.987 -4.107 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.450 14.736 -4.065 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.135 12.599 -5.507 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.421 12.569 -5.873 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.985 15.146 -6.123 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.047 13.949 -7.402 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.415 14.981 -6.292 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.257 15.801 -7.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.672 14.318 -8.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.209 13.667 -8.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.238 13.006 -7.616 1.00 0.00 H new ATOM 943 N GLY A 67 5.342 14.624 -1.708 1.00 0.00 N ATOM 944 CA GLY A 67 5.517 15.442 -0.521 1.00 0.00 C ATOM 945 C GLY A 67 6.139 14.671 0.626 1.00 0.00 C ATOM 946 O GLY A 67 5.670 14.750 1.763 1.00 0.00 O ATOM 0 H GLY A 67 5.954 14.864 -2.488 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.146 16.298 -0.763 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.550 15.835 -0.208 1.00 0.00 H new ATOM 950 N LEU A 68 7.195 13.922 0.331 1.00 0.00 N ATOM 951 CA LEU A 68 7.882 13.133 1.348 1.00 0.00 C ATOM 952 C LEU A 68 9.208 13.778 1.736 1.00 0.00 C ATOM 953 O LEU A 68 9.595 14.807 1.181 1.00 0.00 O ATOM 954 CB LEU A 68 8.123 11.710 0.839 1.00 0.00 C ATOM 955 CG LEU A 68 6.916 11.003 0.224 1.00 0.00 C ATOM 956 CD1 LEU A 68 7.349 9.738 -0.501 1.00 0.00 C ATOM 957 CD2 LEU A 68 5.885 10.679 1.296 1.00 0.00 C ATOM 0 H LEU A 68 7.595 13.844 -0.604 1.00 0.00 H new ATOM 0 HA LEU A 68 7.247 13.094 2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.918 11.742 0.094 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.488 11.106 1.669 1.00 0.00 H new ATOM 0 HG LEU A 68 6.458 11.674 -0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.476 9.249 -0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.050 9.996 -1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.833 9.062 0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.032 10.176 0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.333 10.027 2.046 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.551 11.602 1.770 1.00 0.00 H new ATOM 969 N SER A 69 9.900 13.167 2.691 1.00 0.00 N ATOM 970 CA SER A 69 11.183 13.683 3.154 1.00 0.00 C ATOM 971 C SER A 69 12.312 12.709 2.827 1.00 0.00 C ATOM 972 O SER A 69 12.145 11.490 2.869 1.00 0.00 O ATOM 973 CB SER A 69 11.138 13.941 4.662 1.00 0.00 C ATOM 974 OG SER A 69 10.335 15.069 4.962 1.00 0.00 O ATOM 0 H SER A 69 9.594 12.314 3.160 1.00 0.00 H new ATOM 0 HA SER A 69 11.377 14.623 2.636 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.743 13.063 5.173 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.149 14.100 5.037 1.00 0.00 H new ATOM 0 HG SER A 69 10.321 15.212 5.931 1.00 0.00 H new ATOM 980 N PRO A 70 13.488 13.259 2.493 1.00 0.00 N ATOM 981 CA PRO A 70 14.668 12.459 2.152 1.00 0.00 C ATOM 982 C PRO A 70 15.241 11.728 3.361 1.00 0.00 C ATOM 983 O PRO A 70 15.042 12.144 4.502 1.00 0.00 O ATOM 984 CB PRO A 70 15.665 13.498 1.633 1.00 0.00 C ATOM 985 CG PRO A 70 15.253 14.774 2.283 1.00 0.00 C ATOM 986 CD PRO A 70 13.758 14.706 2.423 1.00 0.00 C ATOM 0 HA PRO A 70 14.435 11.676 1.431 1.00 0.00 H new ATOM 0 HB2 PRO A 70 16.688 13.231 1.897 1.00 0.00 H new ATOM 0 HB3 PRO A 70 15.626 13.576 0.547 1.00 0.00 H new ATOM 0 HG2 PRO A 70 15.731 14.888 3.256 1.00 0.00 H new ATOM 0 HG3 PRO A 70 15.549 15.632 1.680 1.00 0.00 H new ATOM 0 HD2 PRO A 70 13.414 15.223 3.319 1.00 0.00 H new ATOM 0 HD3 PRO A 70 13.253 15.169 1.575 1.00 0.00 H new ATOM 994 N ALA A 71 15.955 10.637 3.103 1.00 0.00 N ATOM 995 CA ALA A 71 16.560 9.850 4.170 1.00 0.00 C ATOM 996 C ALA A 71 15.563 9.594 5.297 1.00 0.00 C ATOM 997 O ALA A 71 15.841 9.877 6.463 1.00 0.00 O ATOM 998 CB ALA A 71 17.797 10.553 4.709 1.00 0.00 C ATOM 0 H ALA A 71 16.128 10.278 2.164 1.00 0.00 H new ATOM 0 HA ALA A 71 16.855 8.887 3.754 1.00 0.00 H new ATOM 0 HB1 ALA A 71 18.238 9.954 5.505 1.00 0.00 H new ATOM 0 HB2 ALA A 71 18.523 10.680 3.906 1.00 0.00 H new ATOM 0 HB3 ALA A 71 17.518 11.530 5.103 1.00 0.00 H new ATOM 1004 N THR A 72 14.401 9.057 4.940 1.00 0.00 N ATOM 1005 CA THR A 72 13.362 8.765 5.920 1.00 0.00 C ATOM 1006 C THR A 72 12.710 7.415 5.644 1.00 0.00 C ATOM 1007 O THR A 72 12.338 7.112 4.510 1.00 0.00 O ATOM 1008 CB THR A 72 12.273 9.855 5.927 1.00 0.00 C ATOM 1009 OG1 THR A 72 12.865 11.137 6.169 1.00 0.00 O ATOM 1010 CG2 THR A 72 11.225 9.566 6.990 1.00 0.00 C ATOM 0 H THR A 72 14.156 8.815 3.980 1.00 0.00 H new ATOM 0 HA THR A 72 13.847 8.740 6.896 1.00 0.00 H new ATOM 0 HB THR A 72 11.786 9.858 4.952 1.00 0.00 H new ATOM 0 HG1 THR A 72 13.484 11.354 5.441 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.467 10.349 6.976 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.756 8.603 6.786 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.700 9.538 7.971 1.00 0.00 H new ATOM 1018 N THR A 73 12.573 6.605 6.689 1.00 0.00 N ATOM 1019 CA THR A 73 11.967 5.285 6.560 1.00 0.00 C ATOM 1020 C THR A 73 10.448 5.384 6.487 1.00 0.00 C ATOM 1021 O THR A 73 9.825 6.109 7.263 1.00 0.00 O ATOM 1022 CB THR A 73 12.356 4.370 7.737 1.00 0.00 C ATOM 1023 OG1 THR A 73 13.708 4.628 8.132 1.00 0.00 O ATOM 1024 CG2 THR A 73 12.202 2.906 7.357 1.00 0.00 C ATOM 0 H THR A 73 12.874 6.840 7.635 1.00 0.00 H new ATOM 0 HA THR A 73 12.345 4.852 5.634 1.00 0.00 H new ATOM 0 HB THR A 73 11.688 4.584 8.572 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.947 4.044 8.882 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.482 2.279 8.203 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.165 2.708 7.086 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.848 2.680 6.509 1.00 0.00 H new ATOM 1032 N TYR A 74 9.857 4.648 5.552 1.00 0.00 N ATOM 1033 CA TYR A 74 8.409 4.655 5.377 1.00 0.00 C ATOM 1034 C TYR A 74 7.874 3.235 5.217 1.00 0.00 C ATOM 1035 O TYR A 74 8.624 2.307 4.915 1.00 0.00 O ATOM 1036 CB TYR A 74 8.025 5.496 4.159 1.00 0.00 C ATOM 1037 CG TYR A 74 8.298 6.973 4.332 1.00 0.00 C ATOM 1038 CD1 TYR A 74 7.461 7.767 5.107 1.00 0.00 C ATOM 1039 CD2 TYR A 74 9.392 7.575 3.722 1.00 0.00 C ATOM 1040 CE1 TYR A 74 7.706 9.118 5.268 1.00 0.00 C ATOM 1041 CE2 TYR A 74 9.645 8.924 3.879 1.00 0.00 C ATOM 1042 CZ TYR A 74 8.798 9.691 4.653 1.00 0.00 C ATOM 1043 OH TYR A 74 9.046 11.035 4.811 1.00 0.00 O ATOM 0 H TYR A 74 10.358 4.040 4.904 1.00 0.00 H new ATOM 0 HA TYR A 74 7.963 5.095 6.269 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.574 5.133 3.290 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.965 5.353 3.949 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.605 7.321 5.592 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.056 6.978 3.115 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.045 9.721 5.873 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.500 9.376 3.399 1.00 0.00 H new ATOM 0 HH TYR A 74 8.713 11.329 5.685 1.00 0.00 H new ATOM 1053 N TYR A 75 6.572 3.074 5.422 1.00 0.00 N ATOM 1054 CA TYR A 75 5.934 1.768 5.302 1.00 0.00 C ATOM 1055 C TYR A 75 4.521 1.901 4.744 1.00 0.00 C ATOM 1056 O TYR A 75 3.852 2.915 4.950 1.00 0.00 O ATOM 1057 CB TYR A 75 5.894 1.072 6.664 1.00 0.00 C ATOM 1058 CG TYR A 75 7.247 0.969 7.332 1.00 0.00 C ATOM 1059 CD1 TYR A 75 7.890 2.100 7.819 1.00 0.00 C ATOM 1060 CD2 TYR A 75 7.881 -0.258 7.476 1.00 0.00 C ATOM 1061 CE1 TYR A 75 9.126 2.012 8.430 1.00 0.00 C ATOM 1062 CE2 TYR A 75 9.116 -0.356 8.086 1.00 0.00 C ATOM 1063 CZ TYR A 75 9.735 0.781 8.562 1.00 0.00 C ATOM 1064 OH TYR A 75 10.966 0.687 9.169 1.00 0.00 O ATOM 0 H TYR A 75 5.937 3.832 5.672 1.00 0.00 H new ATOM 0 HA TYR A 75 6.522 1.166 4.610 1.00 0.00 H new ATOM 0 HB2 TYR A 75 5.215 1.616 7.320 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.483 0.070 6.539 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.415 3.065 7.718 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.400 -1.151 7.105 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.613 2.901 8.802 1.00 0.00 H new ATOM 0 HE2 TYR A 75 9.595 -1.318 8.190 1.00 0.00 H new ATOM 0 HH TYR A 75 11.254 -0.250 9.182 1.00 0.00 H new ATOM 1074 N CYS A 76 4.072 0.869 4.038 1.00 0.00 N ATOM 1075 CA CYS A 76 2.737 0.868 3.448 1.00 0.00 C ATOM 1076 C CYS A 76 2.152 -0.540 3.429 1.00 0.00 C ATOM 1077 O CYS A 76 2.887 -1.527 3.354 1.00 0.00 O ATOM 1078 CB CYS A 76 2.784 1.434 2.029 1.00 0.00 C ATOM 1079 SG CYS A 76 3.432 0.282 0.795 1.00 0.00 S ATOM 0 H CYS A 76 4.612 0.022 3.860 1.00 0.00 H new ATOM 0 HA CYS A 76 2.095 1.500 4.062 1.00 0.00 H new ATOM 0 HB2 CYS A 76 1.778 1.735 1.736 1.00 0.00 H new ATOM 0 HB3 CYS A 76 3.399 2.334 2.029 1.00 0.00 H new ATOM 0 HG CYS A 76 3.665 -0.868 1.355 1.00 0.00 H new ATOM 1085 N ARG A 77 0.829 -0.627 3.496 1.00 0.00 N ATOM 1086 CA ARG A 77 0.146 -1.915 3.489 1.00 0.00 C ATOM 1087 C ARG A 77 -1.202 -1.812 2.781 1.00 0.00 C ATOM 1088 O ARG A 77 -1.989 -0.904 3.051 1.00 0.00 O ATOM 1089 CB ARG A 77 -0.056 -2.418 4.920 1.00 0.00 C ATOM 1090 CG ARG A 77 -0.813 -1.444 5.807 1.00 0.00 C ATOM 1091 CD ARG A 77 -1.179 -2.074 7.141 1.00 0.00 C ATOM 1092 NE ARG A 77 -0.111 -1.926 8.127 1.00 0.00 N ATOM 1093 CZ ARG A 77 -0.206 -2.351 9.383 1.00 0.00 C ATOM 1094 NH1 ARG A 77 -1.314 -2.947 9.803 1.00 0.00 N ATOM 1095 NH2 ARG A 77 0.808 -2.181 10.221 1.00 0.00 N ATOM 0 H ARG A 77 0.207 0.179 3.556 1.00 0.00 H new ATOM 0 HA ARG A 77 0.770 -2.625 2.946 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.596 -3.364 4.891 1.00 0.00 H new ATOM 0 HB3 ARG A 77 0.918 -2.620 5.366 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.204 -0.557 5.978 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.719 -1.115 5.298 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.090 -1.613 7.522 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.394 -3.133 6.995 1.00 0.00 H new ATOM 0 HE ARG A 77 0.755 -1.472 7.836 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.096 -3.080 9.162 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.384 -3.272 10.767 1.00 0.00 H new ATOM 0 HH21 ARG A 77 1.662 -1.724 9.902 1.00 0.00 H new ATOM 0 HH22 ARG A 77 0.734 -2.508 11.184 1.00 0.00 H new ATOM 1109 N VAL A 78 -1.459 -2.746 1.871 1.00 0.00 N ATOM 1110 CA VAL A 78 -2.712 -2.761 1.124 1.00 0.00 C ATOM 1111 C VAL A 78 -3.605 -3.912 1.572 1.00 0.00 C ATOM 1112 O VAL A 78 -3.156 -5.053 1.680 1.00 0.00 O ATOM 1113 CB VAL A 78 -2.460 -2.881 -0.390 1.00 0.00 C ATOM 1114 CG1 VAL A 78 -1.744 -4.184 -0.712 1.00 0.00 C ATOM 1115 CG2 VAL A 78 -3.769 -2.779 -1.158 1.00 0.00 C ATOM 0 H VAL A 78 -0.817 -3.502 1.633 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.214 -1.815 1.328 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.818 -2.056 -0.699 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.575 -4.250 -1.787 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.787 -4.211 -0.192 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.357 -5.025 -0.389 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.572 -2.866 -2.226 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.437 -3.582 -0.846 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.237 -1.816 -0.953 1.00 0.00 H new ATOM 1125 N GLN A 79 -4.872 -3.605 1.830 1.00 0.00 N ATOM 1126 CA GLN A 79 -5.830 -4.615 2.267 1.00 0.00 C ATOM 1127 C GLN A 79 -7.004 -4.706 1.298 1.00 0.00 C ATOM 1128 O GLN A 79 -7.348 -3.731 0.630 1.00 0.00 O ATOM 1129 CB GLN A 79 -6.337 -4.292 3.673 1.00 0.00 C ATOM 1130 CG GLN A 79 -7.774 -4.726 3.916 1.00 0.00 C ATOM 1131 CD GLN A 79 -8.175 -4.625 5.374 1.00 0.00 C ATOM 1132 OE1 GLN A 79 -7.522 -5.191 6.251 1.00 0.00 O ATOM 1133 NE2 GLN A 79 -9.256 -3.900 5.641 1.00 0.00 N ATOM 0 H GLN A 79 -5.259 -2.665 1.744 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.322 -5.579 2.285 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.691 -4.778 4.404 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.257 -3.218 3.841 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.442 -4.109 3.316 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.901 -5.755 3.579 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.767 -3.448 4.883 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.575 -3.795 6.604 1.00 0.00 H new ATOM 1142 N ALA A 80 -7.615 -5.883 1.226 1.00 0.00 N ATOM 1143 CA ALA A 80 -8.752 -6.102 0.340 1.00 0.00 C ATOM 1144 C ALA A 80 -10.057 -6.163 1.127 1.00 0.00 C ATOM 1145 O ALA A 80 -10.137 -6.818 2.167 1.00 0.00 O ATOM 1146 CB ALA A 80 -8.557 -7.379 -0.463 1.00 0.00 C ATOM 0 H ALA A 80 -7.342 -6.701 1.771 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.813 -5.259 -0.348 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.413 -7.530 -1.120 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.650 -7.297 -1.062 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.468 -8.226 0.217 1.00 0.00 H new ATOM 1152 N LEU A 81 -11.078 -5.478 0.625 1.00 0.00 N ATOM 1153 CA LEU A 81 -12.381 -5.454 1.282 1.00 0.00 C ATOM 1154 C LEU A 81 -13.423 -6.195 0.450 1.00 0.00 C ATOM 1155 O LEU A 81 -13.321 -6.262 -0.775 1.00 0.00 O ATOM 1156 CB LEU A 81 -12.830 -4.010 1.514 1.00 0.00 C ATOM 1157 CG LEU A 81 -12.059 -3.231 2.579 1.00 0.00 C ATOM 1158 CD1 LEU A 81 -10.870 -2.513 1.961 1.00 0.00 C ATOM 1159 CD2 LEU A 81 -12.975 -2.240 3.284 1.00 0.00 C ATOM 0 H LEU A 81 -11.029 -4.932 -0.235 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.286 -5.957 2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.752 -3.470 0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.884 -4.018 1.791 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.685 -3.939 3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.334 -1.964 2.735 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.201 -3.243 1.504 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -11.221 -1.817 1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -12.409 -1.695 4.039 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -13.380 -1.537 2.556 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.793 -2.778 3.763 1.00 0.00 H new ATOM 1171 N SER A 82 -14.426 -6.749 1.125 1.00 0.00 N ATOM 1172 CA SER A 82 -15.486 -7.487 0.449 1.00 0.00 C ATOM 1173 C SER A 82 -16.858 -7.054 0.957 1.00 0.00 C ATOM 1174 O SER A 82 -16.967 -6.166 1.802 1.00 0.00 O ATOM 1175 CB SER A 82 -15.303 -8.992 0.660 1.00 0.00 C ATOM 1176 OG SER A 82 -14.886 -9.274 1.985 1.00 0.00 O ATOM 0 H SER A 82 -14.526 -6.700 2.139 1.00 0.00 H new ATOM 0 HA SER A 82 -15.426 -7.267 -0.617 1.00 0.00 H new ATOM 0 HB2 SER A 82 -16.240 -9.508 0.453 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.566 -9.374 -0.046 1.00 0.00 H new ATOM 0 HG SER A 82 -14.778 -10.242 2.095 1.00 0.00 H new ATOM 1182 N VAL A 83 -17.903 -7.688 0.434 1.00 0.00 N ATOM 1183 CA VAL A 83 -19.268 -7.369 0.833 1.00 0.00 C ATOM 1184 C VAL A 83 -19.708 -8.225 2.016 1.00 0.00 C ATOM 1185 O VAL A 83 -20.846 -8.128 2.476 1.00 0.00 O ATOM 1186 CB VAL A 83 -20.255 -7.575 -0.331 1.00 0.00 C ATOM 1187 CG1 VAL A 83 -20.203 -6.396 -1.290 1.00 0.00 C ATOM 1188 CG2 VAL A 83 -19.958 -8.878 -1.058 1.00 0.00 C ATOM 0 H VAL A 83 -17.830 -8.425 -0.267 1.00 0.00 H new ATOM 0 HA VAL A 83 -19.276 -6.319 1.125 1.00 0.00 H new ATOM 0 HB VAL A 83 -21.264 -7.636 0.078 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -20.907 -6.559 -2.106 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -20.469 -5.483 -0.758 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -19.195 -6.300 -1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -20.665 -9.007 -1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -18.943 -8.850 -1.455 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -20.052 -9.712 -0.363 1.00 0.00 H new ATOM 1198 N VAL A 84 -18.800 -9.063 2.503 1.00 0.00 N ATOM 1199 CA VAL A 84 -19.093 -9.936 3.635 1.00 0.00 C ATOM 1200 C VAL A 84 -18.316 -9.507 4.874 1.00 0.00 C ATOM 1201 O VAL A 84 -18.657 -9.885 5.994 1.00 0.00 O ATOM 1202 CB VAL A 84 -18.757 -11.404 3.313 1.00 0.00 C ATOM 1203 CG1 VAL A 84 -17.271 -11.666 3.506 1.00 0.00 C ATOM 1204 CG2 VAL A 84 -19.589 -12.341 4.174 1.00 0.00 C ATOM 0 H VAL A 84 -17.854 -9.157 2.132 1.00 0.00 H new ATOM 0 HA VAL A 84 -20.162 -9.851 3.833 1.00 0.00 H new ATOM 0 HB VAL A 84 -19.002 -11.595 2.268 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -17.052 -12.708 3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -16.698 -11.018 2.842 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -16.996 -11.459 4.540 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -19.339 -13.374 3.934 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -19.378 -12.152 5.226 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -20.648 -12.169 3.980 1.00 0.00 H new ATOM 1214 N GLY A 85 -17.268 -8.716 4.666 1.00 0.00 N ATOM 1215 CA GLY A 85 -16.460 -8.249 5.777 1.00 0.00 C ATOM 1216 C GLY A 85 -15.248 -7.460 5.320 1.00 0.00 C ATOM 1217 O GLY A 85 -15.382 -6.434 4.653 1.00 0.00 O ATOM 0 H GLY A 85 -16.964 -8.390 3.748 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -17.071 -7.625 6.430 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.132 -9.104 6.368 1.00 0.00 H new ATOM 1221 N ALA A 86 -14.062 -7.939 5.680 1.00 0.00 N ATOM 1222 CA ALA A 86 -12.822 -7.271 5.303 1.00 0.00 C ATOM 1223 C ALA A 86 -11.622 -8.191 5.496 1.00 0.00 C ATOM 1224 O ALA A 86 -11.418 -8.744 6.575 1.00 0.00 O ATOM 1225 CB ALA A 86 -12.644 -5.993 6.110 1.00 0.00 C ATOM 0 H ALA A 86 -13.933 -8.787 6.232 1.00 0.00 H new ATOM 0 HA ALA A 86 -12.884 -7.015 4.245 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.714 -5.505 5.818 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -13.482 -5.322 5.919 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -12.609 -6.235 7.172 1.00 0.00 H new ATOM 1231 N GLY A 87 -10.830 -8.353 4.440 1.00 0.00 N ATOM 1232 CA GLY A 87 -9.661 -9.209 4.513 1.00 0.00 C ATOM 1233 C GLY A 87 -8.496 -8.541 5.218 1.00 0.00 C ATOM 1234 O GLY A 87 -8.449 -7.319 5.360 1.00 0.00 O ATOM 0 H GLY A 87 -10.978 -7.906 3.535 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.920 -10.129 5.038 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.358 -9.492 3.505 1.00 0.00 H new ATOM 1238 N PRO A 88 -7.529 -9.352 5.671 1.00 0.00 N ATOM 1239 CA PRO A 88 -6.342 -8.853 6.372 1.00 0.00 C ATOM 1240 C PRO A 88 -5.401 -8.088 5.447 1.00 0.00 C ATOM 1241 O PRO A 88 -5.523 -8.160 4.224 1.00 0.00 O ATOM 1242 CB PRO A 88 -5.669 -10.130 6.881 1.00 0.00 C ATOM 1243 CG PRO A 88 -6.124 -11.197 5.948 1.00 0.00 C ATOM 1244 CD PRO A 88 -7.520 -10.818 5.534 1.00 0.00 C ATOM 0 HA PRO A 88 -6.601 -8.147 7.161 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.583 -10.035 6.874 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -5.963 -10.350 7.907 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -5.465 -11.265 5.082 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -6.113 -12.172 6.435 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -7.734 -11.128 4.511 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -8.270 -11.286 6.172 1.00 0.00 H new ATOM 1252 N PHE A 89 -4.464 -7.355 6.039 1.00 0.00 N ATOM 1253 CA PHE A 89 -3.503 -6.576 5.267 1.00 0.00 C ATOM 1254 C PHE A 89 -2.308 -7.433 4.861 1.00 0.00 C ATOM 1255 O PHE A 89 -2.031 -8.463 5.477 1.00 0.00 O ATOM 1256 CB PHE A 89 -3.026 -5.368 6.077 1.00 0.00 C ATOM 1257 CG PHE A 89 -4.053 -4.278 6.188 1.00 0.00 C ATOM 1258 CD1 PHE A 89 -5.073 -4.361 7.122 1.00 0.00 C ATOM 1259 CD2 PHE A 89 -3.998 -3.169 5.359 1.00 0.00 C ATOM 1260 CE1 PHE A 89 -6.019 -3.359 7.227 1.00 0.00 C ATOM 1261 CE2 PHE A 89 -4.941 -2.165 5.459 1.00 0.00 C ATOM 1262 CZ PHE A 89 -5.954 -2.260 6.394 1.00 0.00 C ATOM 0 H PHE A 89 -4.350 -7.284 7.050 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.001 -6.226 4.363 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.749 -5.698 7.078 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.126 -4.963 5.614 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.129 -5.219 7.776 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.209 -3.089 4.626 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.808 -3.436 7.960 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.887 -1.306 4.807 1.00 0.00 H new ATOM 0 HZ PHE A 89 -6.693 -1.476 6.473 1.00 0.00 H new ATOM 1272 N SER A 90 -1.605 -7.002 3.819 1.00 0.00 N ATOM 1273 CA SER A 90 -0.442 -7.732 3.326 1.00 0.00 C ATOM 1274 C SER A 90 0.771 -7.488 4.219 1.00 0.00 C ATOM 1275 O SER A 90 0.696 -6.743 5.195 1.00 0.00 O ATOM 1276 CB SER A 90 -0.125 -7.317 1.889 1.00 0.00 C ATOM 1277 OG SER A 90 -0.136 -5.907 1.751 1.00 0.00 O ATOM 0 H SER A 90 -1.820 -6.151 3.299 1.00 0.00 H new ATOM 0 HA SER A 90 -0.676 -8.796 3.345 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.852 -7.706 1.602 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.855 -7.758 1.210 1.00 0.00 H new ATOM 0 HG SER A 90 0.784 -5.569 1.768 1.00 0.00 H new ATOM 1283 N GLU A 91 1.888 -8.121 3.875 1.00 0.00 N ATOM 1284 CA GLU A 91 3.117 -7.974 4.645 1.00 0.00 C ATOM 1285 C GLU A 91 3.687 -6.566 4.495 1.00 0.00 C ATOM 1286 O GLU A 91 4.050 -6.145 3.396 1.00 0.00 O ATOM 1287 CB GLU A 91 4.154 -9.006 4.196 1.00 0.00 C ATOM 1288 CG GLU A 91 3.787 -10.434 4.560 1.00 0.00 C ATOM 1289 CD GLU A 91 4.518 -11.458 3.713 1.00 0.00 C ATOM 1290 OE1 GLU A 91 4.583 -11.270 2.481 1.00 0.00 O ATOM 1291 OE2 GLU A 91 5.025 -12.447 4.283 1.00 0.00 O ATOM 0 H GLU A 91 1.967 -8.740 3.068 1.00 0.00 H new ATOM 0 HA GLU A 91 2.880 -8.142 5.695 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.280 -8.936 3.116 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.116 -8.761 4.645 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.016 -10.607 5.611 1.00 0.00 H new ATOM 0 HG3 GLU A 91 2.712 -10.570 4.441 1.00 0.00 H new ATOM 1298 N VAL A 92 3.763 -5.842 5.608 1.00 0.00 N ATOM 1299 CA VAL A 92 4.288 -4.483 5.602 1.00 0.00 C ATOM 1300 C VAL A 92 5.524 -4.375 4.715 1.00 0.00 C ATOM 1301 O VAL A 92 6.367 -5.272 4.695 1.00 0.00 O ATOM 1302 CB VAL A 92 4.649 -4.013 7.024 1.00 0.00 C ATOM 1303 CG1 VAL A 92 5.431 -2.709 6.974 1.00 0.00 C ATOM 1304 CG2 VAL A 92 3.393 -3.860 7.868 1.00 0.00 C ATOM 0 H VAL A 92 3.467 -6.175 6.525 1.00 0.00 H new ATOM 0 HA VAL A 92 3.501 -3.842 5.204 1.00 0.00 H new ATOM 0 HB VAL A 92 5.282 -4.769 7.489 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.677 -2.393 7.988 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.350 -2.857 6.407 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.827 -1.941 6.491 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.666 -3.527 8.870 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.733 -3.124 7.408 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.878 -4.819 7.932 1.00 0.00 H new ATOM 1314 N VAL A 93 5.624 -3.270 3.981 1.00 0.00 N ATOM 1315 CA VAL A 93 6.758 -3.044 3.093 1.00 0.00 C ATOM 1316 C VAL A 93 7.506 -1.770 3.470 1.00 0.00 C ATOM 1317 O VAL A 93 6.989 -0.665 3.310 1.00 0.00 O ATOM 1318 CB VAL A 93 6.308 -2.947 1.622 1.00 0.00 C ATOM 1319 CG1 VAL A 93 7.505 -2.715 0.713 1.00 0.00 C ATOM 1320 CG2 VAL A 93 5.552 -4.201 1.213 1.00 0.00 C ATOM 0 H VAL A 93 4.934 -2.519 3.984 1.00 0.00 H new ATOM 0 HA VAL A 93 7.424 -3.899 3.206 1.00 0.00 H new ATOM 0 HB VAL A 93 5.635 -2.096 1.521 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.169 -2.649 -0.322 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.000 -1.785 0.994 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.205 -3.544 0.815 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.242 -4.115 0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.200 -5.070 1.328 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.672 -4.318 1.845 1.00 0.00 H new ATOM 1330 N ALA A 94 8.727 -1.933 3.970 1.00 0.00 N ATOM 1331 CA ALA A 94 9.548 -0.796 4.367 1.00 0.00 C ATOM 1332 C ALA A 94 10.258 -0.184 3.164 1.00 0.00 C ATOM 1333 O ALA A 94 10.616 -0.888 2.219 1.00 0.00 O ATOM 1334 CB ALA A 94 10.560 -1.219 5.421 1.00 0.00 C ATOM 0 H ALA A 94 9.169 -2.842 4.110 1.00 0.00 H new ATOM 0 HA ALA A 94 8.892 -0.037 4.793 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.167 -0.360 5.708 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.035 -1.602 6.296 1.00 0.00 H new ATOM 0 HB3 ALA A 94 11.204 -1.999 5.015 1.00 0.00 H new ATOM 1340 N CYS A 95 10.457 1.128 3.205 1.00 0.00 N ATOM 1341 CA CYS A 95 11.123 1.835 2.116 1.00 0.00 C ATOM 1342 C CYS A 95 11.798 3.104 2.625 1.00 0.00 C ATOM 1343 O CYS A 95 11.174 3.924 3.299 1.00 0.00 O ATOM 1344 CB CYS A 95 10.119 2.182 1.016 1.00 0.00 C ATOM 1345 SG CYS A 95 8.747 3.222 1.571 1.00 0.00 S ATOM 0 H CYS A 95 10.167 1.724 3.980 1.00 0.00 H new ATOM 0 HA CYS A 95 11.889 1.178 1.704 1.00 0.00 H new ATOM 0 HB2 CYS A 95 10.643 2.692 0.208 1.00 0.00 H new ATOM 0 HB3 CYS A 95 9.716 1.258 0.602 1.00 0.00 H new ATOM 0 HG CYS A 95 7.953 3.463 0.570 1.00 0.00 H new ATOM 1351 N VAL A 96 13.077 3.259 2.300 1.00 0.00 N ATOM 1352 CA VAL A 96 13.838 4.428 2.724 1.00 0.00 C ATOM 1353 C VAL A 96 14.170 5.328 1.540 1.00 0.00 C ATOM 1354 O VAL A 96 14.868 4.921 0.611 1.00 0.00 O ATOM 1355 CB VAL A 96 15.148 4.020 3.427 1.00 0.00 C ATOM 1356 CG1 VAL A 96 15.888 5.250 3.931 1.00 0.00 C ATOM 1357 CG2 VAL A 96 14.861 3.056 4.568 1.00 0.00 C ATOM 0 H VAL A 96 13.609 2.589 1.744 1.00 0.00 H new ATOM 0 HA VAL A 96 13.211 4.975 3.428 1.00 0.00 H new ATOM 0 HB VAL A 96 15.786 3.512 2.704 1.00 0.00 H new ATOM 0 HG11 VAL A 96 16.810 4.943 4.424 1.00 0.00 H new ATOM 0 HG12 VAL A 96 16.126 5.901 3.090 1.00 0.00 H new ATOM 0 HG13 VAL A 96 15.259 5.788 4.640 1.00 0.00 H new ATOM 0 HG21 VAL A 96 15.796 2.778 5.053 1.00 0.00 H new ATOM 0 HG22 VAL A 96 14.204 3.536 5.293 1.00 0.00 H new ATOM 0 HG23 VAL A 96 14.376 2.162 4.176 1.00 0.00 H new ATOM 1367 N THR A 97 13.663 6.557 1.577 1.00 0.00 N ATOM 1368 CA THR A 97 13.904 7.516 0.506 1.00 0.00 C ATOM 1369 C THR A 97 15.362 7.957 0.481 1.00 0.00 C ATOM 1370 O THR A 97 16.047 7.980 1.504 1.00 0.00 O ATOM 1371 CB THR A 97 13.006 8.758 0.653 1.00 0.00 C ATOM 1372 OG1 THR A 97 12.986 9.190 2.018 1.00 0.00 O ATOM 1373 CG2 THR A 97 11.587 8.460 0.191 1.00 0.00 C ATOM 0 H THR A 97 13.083 6.911 2.337 1.00 0.00 H new ATOM 0 HA THR A 97 13.664 7.012 -0.430 1.00 0.00 H new ATOM 0 HB THR A 97 13.416 9.550 0.027 1.00 0.00 H new ATOM 0 HG1 THR A 97 12.903 10.166 2.051 1.00 0.00 H new ATOM 0 HG21 THR A 97 10.972 9.353 0.305 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.601 8.160 -0.857 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.170 7.653 0.794 1.00 0.00 H new ATOM 1381 N PRO A 98 15.852 8.316 -0.715 1.00 0.00 N ATOM 1382 CA PRO A 98 17.235 8.764 -0.902 1.00 0.00 C ATOM 1383 C PRO A 98 17.490 10.132 -0.277 1.00 0.00 C ATOM 1384 O PRO A 98 16.606 10.987 -0.211 1.00 0.00 O ATOM 1385 CB PRO A 98 17.382 8.837 -2.423 1.00 0.00 C ATOM 1386 CG PRO A 98 15.997 9.047 -2.928 1.00 0.00 C ATOM 1387 CD PRO A 98 15.093 8.313 -1.977 1.00 0.00 C ATOM 0 HA PRO A 98 17.949 8.094 -0.423 1.00 0.00 H new ATOM 0 HB2 PRO A 98 18.039 9.655 -2.718 1.00 0.00 H new ATOM 0 HB3 PRO A 98 17.815 7.920 -2.823 1.00 0.00 H new ATOM 0 HG2 PRO A 98 15.750 10.108 -2.960 1.00 0.00 H new ATOM 0 HG3 PRO A 98 15.889 8.664 -3.943 1.00 0.00 H new ATOM 0 HD2 PRO A 98 14.131 8.814 -1.869 1.00 0.00 H new ATOM 0 HD3 PRO A 98 14.887 7.299 -2.320 1.00 0.00 H new ATOM 1395 N PRO A 99 18.728 10.347 0.194 1.00 0.00 N ATOM 1396 CA PRO A 99 19.129 11.609 0.822 1.00 0.00 C ATOM 1397 C PRO A 99 19.205 12.756 -0.181 1.00 0.00 C ATOM 1398 O PRO A 99 19.716 12.591 -1.289 1.00 0.00 O ATOM 1399 CB PRO A 99 20.516 11.300 1.387 1.00 0.00 C ATOM 1400 CG PRO A 99 21.032 10.190 0.538 1.00 0.00 C ATOM 1401 CD PRO A 99 19.832 9.373 0.150 1.00 0.00 C ATOM 0 HA PRO A 99 18.411 11.936 1.575 1.00 0.00 H new ATOM 0 HB2 PRO A 99 21.167 12.173 1.337 1.00 0.00 H new ATOM 0 HB3 PRO A 99 20.460 11.004 2.435 1.00 0.00 H new ATOM 0 HG2 PRO A 99 21.542 10.578 -0.344 1.00 0.00 H new ATOM 0 HG3 PRO A 99 21.756 9.585 1.084 1.00 0.00 H new ATOM 0 HD2 PRO A 99 19.946 8.939 -0.843 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.667 8.547 0.842 1.00 0.00 H new ATOM 1409 N SER A 100 18.695 13.917 0.215 1.00 0.00 N ATOM 1410 CA SER A 100 18.703 15.091 -0.650 1.00 0.00 C ATOM 1411 C SER A 100 19.826 16.048 -0.258 1.00 0.00 C ATOM 1412 O SER A 100 19.793 16.656 0.811 1.00 0.00 O ATOM 1413 CB SER A 100 17.355 15.812 -0.580 1.00 0.00 C ATOM 1414 OG SER A 100 17.415 17.068 -1.233 1.00 0.00 O ATOM 0 H SER A 100 18.271 14.070 1.130 1.00 0.00 H new ATOM 0 HA SER A 100 18.875 14.756 -1.673 1.00 0.00 H new ATOM 0 HB2 SER A 100 16.584 15.195 -1.042 1.00 0.00 H new ATOM 0 HB3 SER A 100 17.068 15.953 0.462 1.00 0.00 H new ATOM 0 HG SER A 100 16.541 17.508 -1.176 1.00 0.00 H new