USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 836 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 Single : A 3 GLN : amide:sc= -0.0114 K(o=-0.011,f=-1.1) USER MOD Single : A 5 LYS NZ :NH3+ 175:sc= 1.3 (180deg=1.23) USER MOD Single : A 8 CYS SG : rot 180:sc= -0.0607 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -67:sc= 1.3 USER MOD Single : A 20 CYS SG : rot 180:sc= 0.0158 USER MOD Single : A 27 GLN : amide:sc= -0.428 X(o=-0.43,f=-0.051) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -0.119 X(o=-0.12,f=-0.54) USER MOD Single : A 36 SER OG : rot 180:sc= -0.0469 USER MOD Single : A 38 GLN : amide:sc= -0.941 K(o=-0.94,f=0) USER MOD Single : A 43 SER OG : rot -140:sc= 0.179 USER MOD Single : A 44 ASN : amide:sc= -5.7! C(o=-5.7!,f=-16!) USER MOD Single : A 51 SER OG : rot -72:sc= 1.24 USER MOD Single : A 52 SER OG : rot 180:sc= 0.0313 USER MOD Single : A 55 SER OG : rot -111:sc= 0.835 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 110:sc= -0.0477 USER MOD Single : A 73 LYS NZ :NH3+ -179:sc= -0.292 (180deg=-0.333) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.843 K(o=-0.84,f=-2.3) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 CYS SG : rot -70:sc= -3.77! USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 91 SER OG : rot 79:sc= 0.0635 USER MOD Single : A 93 LYS NZ :NH3+ 165:sc= -0.0402 (180deg=-0.286) USER MOD Single : A 94 HIS : no HD1:sc= -0.522 X(o=-0.52,f=-0.97) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 0.217 K(o=0.22,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 28 N GLN A 3 -15.948 6.322 6.243 1.00 0.00 N ATOM 29 CA GLN A 3 -16.690 5.890 5.075 1.00 0.00 C ATOM 30 C GLN A 3 -15.775 5.169 4.094 1.00 0.00 C ATOM 31 O GLN A 3 -15.028 5.790 3.337 1.00 0.00 O ATOM 32 CB GLN A 3 -17.408 7.075 4.418 1.00 0.00 C ATOM 33 CG GLN A 3 -16.556 8.332 4.278 1.00 0.00 C ATOM 34 CD GLN A 3 -17.370 9.527 3.818 1.00 0.00 C ATOM 35 OE1 GLN A 3 -18.564 9.628 4.102 1.00 0.00 O ATOM 36 NE2 GLN A 3 -16.730 10.456 3.122 1.00 0.00 N ATOM 0 HA GLN A 3 -17.455 5.181 5.392 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -17.752 6.772 3.429 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -18.295 7.316 5.004 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -16.088 8.560 5.236 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -15.752 8.146 3.566 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -15.740 10.339 2.905 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -17.227 11.288 2.804 1.00 0.00 H new ATOM 45 N TRP A 4 -15.825 3.844 4.151 1.00 0.00 N ATOM 46 CA TRP A 4 -15.014 2.995 3.291 1.00 0.00 C ATOM 47 C TRP A 4 -15.396 3.189 1.829 1.00 0.00 C ATOM 48 O TRP A 4 -16.486 2.798 1.404 1.00 0.00 O ATOM 49 CB TRP A 4 -15.195 1.522 3.675 1.00 0.00 C ATOM 50 CG TRP A 4 -14.760 1.197 5.073 1.00 0.00 C ATOM 51 CD1 TRP A 4 -15.440 1.460 6.229 1.00 0.00 C ATOM 52 CD2 TRP A 4 -13.551 0.536 5.463 1.00 0.00 C ATOM 53 NE1 TRP A 4 -14.722 1.013 7.311 1.00 0.00 N ATOM 54 CE2 TRP A 4 -13.562 0.442 6.866 1.00 0.00 C ATOM 55 CE3 TRP A 4 -12.459 0.013 4.764 1.00 0.00 C ATOM 56 CZ2 TRP A 4 -12.526 -0.148 7.581 1.00 0.00 C ATOM 57 CZ3 TRP A 4 -11.431 -0.570 5.477 1.00 0.00 C ATOM 58 CH2 TRP A 4 -11.472 -0.649 6.871 1.00 0.00 C ATOM 0 H TRP A 4 -16.428 3.330 4.793 1.00 0.00 H new ATOM 0 HA TRP A 4 -13.970 3.277 3.424 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -16.245 1.254 3.561 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -14.631 0.903 2.977 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -16.402 1.948 6.284 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -15.007 1.094 8.287 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -12.421 0.064 3.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -12.553 -0.208 8.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -10.580 -0.972 4.948 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -10.653 -1.116 7.398 1.00 0.00 H new ATOM 69 N LYS A 5 -14.506 3.806 1.068 1.00 0.00 N ATOM 70 CA LYS A 5 -14.733 3.983 -0.355 1.00 0.00 C ATOM 71 C LYS A 5 -14.345 2.718 -1.099 1.00 0.00 C ATOM 72 O LYS A 5 -13.239 2.204 -0.920 1.00 0.00 O ATOM 73 CB LYS A 5 -13.926 5.157 -0.917 1.00 0.00 C ATOM 74 CG LYS A 5 -14.108 5.324 -2.419 1.00 0.00 C ATOM 75 CD LYS A 5 -13.065 6.242 -3.027 1.00 0.00 C ATOM 76 CE LYS A 5 -13.197 6.287 -4.543 1.00 0.00 C ATOM 77 NZ LYS A 5 -12.125 7.099 -5.176 1.00 0.00 N ATOM 0 H LYS A 5 -13.625 4.190 1.410 1.00 0.00 H new ATOM 0 HA LYS A 5 -15.793 4.196 -0.494 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.228 6.075 -0.413 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.869 5.006 -0.697 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -14.054 4.347 -2.900 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -15.102 5.724 -2.620 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.177 7.246 -2.618 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.068 5.896 -2.755 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.164 5.272 -4.939 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.169 6.701 -4.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.204 7.033 -6.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.224 8.092 -4.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.196 6.741 -4.876 1.00 0.00 H new ATOM 91 N ASP A 6 -15.250 2.215 -1.924 1.00 0.00 N ATOM 92 CA ASP A 6 -14.944 1.066 -2.758 1.00 0.00 C ATOM 93 C ASP A 6 -14.107 1.512 -3.950 1.00 0.00 C ATOM 94 O ASP A 6 -14.505 2.388 -4.721 1.00 0.00 O ATOM 95 CB ASP A 6 -16.221 0.338 -3.212 1.00 0.00 C ATOM 96 CG ASP A 6 -17.173 1.203 -4.018 1.00 0.00 C ATOM 97 OD1 ASP A 6 -17.913 2.004 -3.413 1.00 0.00 O ATOM 98 OD2 ASP A 6 -17.213 1.063 -5.258 1.00 0.00 O ATOM 0 H ASP A 6 -16.195 2.582 -2.033 1.00 0.00 H new ATOM 0 HA ASP A 6 -14.369 0.351 -2.169 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -15.939 -0.529 -3.810 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -16.744 -0.038 -2.333 1.00 0.00 H new ATOM 103 N ILE A 7 -12.922 0.940 -4.062 1.00 0.00 N ATOM 104 CA ILE A 7 -11.991 1.305 -5.113 1.00 0.00 C ATOM 105 C ILE A 7 -12.281 0.503 -6.367 1.00 0.00 C ATOM 106 O ILE A 7 -12.724 1.038 -7.382 1.00 0.00 O ATOM 107 CB ILE A 7 -10.532 1.039 -4.690 1.00 0.00 C ATOM 108 CG1 ILE A 7 -10.233 1.689 -3.337 1.00 0.00 C ATOM 109 CG2 ILE A 7 -9.567 1.545 -5.754 1.00 0.00 C ATOM 110 CD1 ILE A 7 -10.439 3.185 -3.320 1.00 0.00 C ATOM 0 H ILE A 7 -12.580 0.215 -3.432 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.117 2.370 -5.305 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.396 -0.038 -4.587 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.870 1.235 -2.578 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.202 1.471 -3.060 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.542 1.349 -5.439 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.762 1.031 -6.695 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.706 2.617 -5.891 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.207 3.573 -2.328 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -9.782 3.651 -4.054 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.476 3.412 -3.565 1.00 0.00 H new ATOM 122 N CYS A 8 -12.040 -0.791 -6.269 1.00 0.00 N ATOM 123 CA CYS A 8 -12.233 -1.697 -7.379 1.00 0.00 C ATOM 124 C CYS A 8 -12.408 -3.104 -6.830 1.00 0.00 C ATOM 125 O CYS A 8 -12.219 -3.333 -5.632 1.00 0.00 O ATOM 126 CB CYS A 8 -11.029 -1.635 -8.331 1.00 0.00 C ATOM 127 SG CYS A 8 -11.310 -2.386 -9.954 1.00 0.00 S ATOM 0 H CYS A 8 -11.705 -1.241 -5.417 1.00 0.00 H new ATOM 0 HA CYS A 8 -13.121 -1.411 -7.943 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.748 -0.591 -8.472 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.182 -2.132 -7.857 1.00 0.00 H new ATOM 0 HG CYS A 8 -10.234 -2.276 -10.675 1.00 0.00 H new ATOM 133 N LYS A 9 -12.770 -4.035 -7.685 1.00 0.00 N ATOM 134 CA LYS A 9 -12.938 -5.411 -7.269 1.00 0.00 C ATOM 135 C LYS A 9 -11.570 -6.060 -7.111 1.00 0.00 C ATOM 136 O LYS A 9 -10.652 -5.778 -7.883 1.00 0.00 O ATOM 137 CB LYS A 9 -13.777 -6.162 -8.298 1.00 0.00 C ATOM 138 CG LYS A 9 -14.394 -7.443 -7.777 1.00 0.00 C ATOM 139 CD LYS A 9 -15.458 -7.946 -8.731 1.00 0.00 C ATOM 140 CE LYS A 9 -16.073 -9.253 -8.260 1.00 0.00 C ATOM 141 NZ LYS A 9 -17.025 -9.802 -9.260 1.00 0.00 N ATOM 0 H LYS A 9 -12.954 -3.865 -8.674 1.00 0.00 H new ATOM 0 HA LYS A 9 -13.457 -5.447 -6.311 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -14.572 -5.506 -8.651 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.152 -6.397 -9.159 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -13.621 -8.201 -7.652 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -14.831 -7.269 -6.794 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -16.240 -7.193 -8.832 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -15.021 -8.086 -9.720 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -15.283 -9.980 -8.071 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -16.591 -9.092 -7.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -17.425 -10.694 -8.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -17.792 -9.118 -9.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -16.525 -9.979 -10.155 1.00 0.00 H new ATOM 155 N ILE A 10 -11.433 -6.931 -6.120 1.00 0.00 N ATOM 156 CA ILE A 10 -10.153 -7.573 -5.841 1.00 0.00 C ATOM 157 C ILE A 10 -9.796 -8.562 -6.952 1.00 0.00 C ATOM 158 O ILE A 10 -8.697 -9.109 -6.992 1.00 0.00 O ATOM 159 CB ILE A 10 -10.167 -8.290 -4.469 1.00 0.00 C ATOM 160 CG1 ILE A 10 -8.737 -8.630 -4.030 1.00 0.00 C ATOM 161 CG2 ILE A 10 -11.029 -9.547 -4.522 1.00 0.00 C ATOM 162 CD1 ILE A 10 -8.651 -9.240 -2.650 1.00 0.00 C ATOM 0 H ILE A 10 -12.190 -7.210 -5.496 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.392 -6.793 -5.805 1.00 0.00 H new ATOM 0 HB ILE A 10 -10.603 -7.614 -3.733 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.301 -9.322 -4.751 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.134 -7.722 -4.054 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -11.023 -10.033 -3.547 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -12.051 -9.276 -4.787 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -10.629 -10.231 -5.271 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.609 -9.453 -2.411 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -9.056 -8.542 -1.918 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.225 -10.166 -2.625 1.00 0.00 H new ATOM 174 N ASP A 11 -10.739 -8.771 -7.862 1.00 0.00 N ATOM 175 CA ASP A 11 -10.517 -9.619 -9.024 1.00 0.00 C ATOM 176 C ASP A 11 -9.576 -8.935 -10.018 1.00 0.00 C ATOM 177 O ASP A 11 -8.958 -9.586 -10.863 1.00 0.00 O ATOM 178 CB ASP A 11 -11.857 -9.950 -9.692 1.00 0.00 C ATOM 179 CG ASP A 11 -11.714 -10.910 -10.854 1.00 0.00 C ATOM 180 OD1 ASP A 11 -11.298 -12.066 -10.629 1.00 0.00 O ATOM 181 OD2 ASP A 11 -12.022 -10.517 -11.998 1.00 0.00 O ATOM 0 H ASP A 11 -11.672 -8.361 -7.816 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.048 -10.547 -8.697 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.530 -10.382 -8.951 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.320 -9.028 -10.044 1.00 0.00 H new ATOM 186 N ASP A 12 -9.460 -7.613 -9.895 1.00 0.00 N ATOM 187 CA ASP A 12 -8.589 -6.828 -10.767 1.00 0.00 C ATOM 188 C ASP A 12 -7.164 -6.804 -10.212 1.00 0.00 C ATOM 189 O ASP A 12 -6.207 -6.515 -10.930 1.00 0.00 O ATOM 190 CB ASP A 12 -9.136 -5.399 -10.900 1.00 0.00 C ATOM 191 CG ASP A 12 -8.416 -4.573 -11.953 1.00 0.00 C ATOM 192 OD1 ASP A 12 -8.753 -4.700 -13.150 1.00 0.00 O ATOM 193 OD2 ASP A 12 -7.530 -3.770 -11.590 1.00 0.00 O ATOM 0 H ASP A 12 -9.960 -7.062 -9.197 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.566 -7.290 -11.754 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.196 -5.445 -11.148 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.055 -4.896 -9.936 1.00 0.00 H new ATOM 198 N ILE A 13 -7.031 -7.131 -8.930 1.00 0.00 N ATOM 199 CA ILE A 13 -5.734 -7.135 -8.265 1.00 0.00 C ATOM 200 C ILE A 13 -5.297 -8.566 -7.962 1.00 0.00 C ATOM 201 O ILE A 13 -5.833 -9.214 -7.062 1.00 0.00 O ATOM 202 CB ILE A 13 -5.769 -6.325 -6.950 1.00 0.00 C ATOM 203 CG1 ILE A 13 -6.362 -4.933 -7.191 1.00 0.00 C ATOM 204 CG2 ILE A 13 -4.367 -6.211 -6.360 1.00 0.00 C ATOM 205 CD1 ILE A 13 -6.562 -4.130 -5.924 1.00 0.00 C ATOM 0 H ILE A 13 -7.811 -7.398 -8.329 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.019 -6.667 -8.942 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.405 -6.851 -6.238 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.705 -4.379 -7.862 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.321 -5.039 -7.699 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.408 -5.638 -5.434 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.977 -7.208 -6.153 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.713 -5.706 -7.071 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.985 -3.157 -6.173 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.243 -4.662 -5.260 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.603 -3.992 -5.425 1.00 0.00 H new ATOM 217 N LEU A 14 -4.326 -9.053 -8.721 1.00 0.00 N ATOM 218 CA LEU A 14 -3.826 -10.414 -8.561 1.00 0.00 C ATOM 219 C LEU A 14 -2.977 -10.529 -7.294 1.00 0.00 C ATOM 220 O LEU A 14 -2.638 -9.517 -6.678 1.00 0.00 O ATOM 221 CB LEU A 14 -3.001 -10.808 -9.792 1.00 0.00 C ATOM 222 CG LEU A 14 -3.764 -10.781 -11.119 1.00 0.00 C ATOM 223 CD1 LEU A 14 -2.835 -11.121 -12.275 1.00 0.00 C ATOM 224 CD2 LEU A 14 -4.941 -11.747 -11.080 1.00 0.00 C ATOM 0 H LEU A 14 -3.865 -8.522 -9.460 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.674 -11.093 -8.466 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.146 -10.136 -9.868 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.604 -11.812 -9.639 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.151 -9.774 -11.272 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.394 -11.097 -13.210 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.025 -10.392 -12.318 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.419 -12.117 -12.126 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.471 -11.714 -12.032 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.576 -12.759 -10.903 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.620 -11.461 -10.277 1.00 0.00 H new ATOM 236 N PRO A 15 -2.643 -11.754 -6.858 1.00 0.00 N ATOM 237 CA PRO A 15 -1.759 -11.951 -5.709 1.00 0.00 C ATOM 238 C PRO A 15 -0.326 -11.521 -6.018 1.00 0.00 C ATOM 239 O PRO A 15 0.127 -11.616 -7.163 1.00 0.00 O ATOM 240 CB PRO A 15 -1.836 -13.459 -5.448 1.00 0.00 C ATOM 241 CG PRO A 15 -2.216 -14.052 -6.758 1.00 0.00 C ATOM 242 CD PRO A 15 -3.100 -13.037 -7.427 1.00 0.00 C ATOM 0 HA PRO A 15 -2.058 -11.353 -4.848 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -0.880 -13.849 -5.099 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.574 -13.690 -4.680 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.334 -14.261 -7.363 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.741 -14.998 -6.622 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.987 -13.058 -8.511 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.153 -13.219 -7.213 1.00 0.00 H new ATOM 250 N GLU A 16 0.364 -11.031 -4.991 1.00 0.00 N ATOM 251 CA GLU A 16 1.756 -10.587 -5.100 1.00 0.00 C ATOM 252 C GLU A 16 1.904 -9.397 -6.050 1.00 0.00 C ATOM 253 O GLU A 16 2.955 -9.221 -6.669 1.00 0.00 O ATOM 254 CB GLU A 16 2.672 -11.733 -5.556 1.00 0.00 C ATOM 255 CG GLU A 16 2.839 -12.854 -4.536 1.00 0.00 C ATOM 256 CD GLU A 16 1.651 -13.795 -4.483 1.00 0.00 C ATOM 257 OE1 GLU A 16 1.615 -14.755 -5.283 1.00 0.00 O ATOM 258 OE2 GLU A 16 0.754 -13.590 -3.640 1.00 0.00 O ATOM 0 H GLU A 16 -0.026 -10.929 -4.054 1.00 0.00 H new ATOM 0 HA GLU A 16 2.060 -10.267 -4.103 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.273 -12.155 -6.478 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.655 -11.324 -5.791 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.736 -13.425 -4.777 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.994 -12.418 -3.549 1.00 0.00 H new ATOM 265 N THR A 17 0.874 -8.559 -6.139 1.00 0.00 N ATOM 266 CA THR A 17 0.922 -7.398 -7.028 1.00 0.00 C ATOM 267 C THR A 17 0.458 -6.136 -6.305 1.00 0.00 C ATOM 268 O THR A 17 -0.161 -6.210 -5.239 1.00 0.00 O ATOM 269 CB THR A 17 0.065 -7.590 -8.304 1.00 0.00 C ATOM 270 OG1 THR A 17 -1.321 -7.713 -7.967 1.00 0.00 O ATOM 271 CG2 THR A 17 0.502 -8.821 -9.087 1.00 0.00 C ATOM 0 H THR A 17 0.005 -8.659 -5.614 1.00 0.00 H new ATOM 0 HA THR A 17 1.964 -7.292 -7.329 1.00 0.00 H new ATOM 0 HB THR A 17 0.211 -6.708 -8.928 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.466 -8.550 -7.479 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.120 -8.926 -9.976 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.545 -8.712 -9.384 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.394 -9.707 -8.462 1.00 0.00 H new ATOM 279 N GLY A 18 0.762 -4.981 -6.884 1.00 0.00 N ATOM 280 CA GLY A 18 0.352 -3.722 -6.300 1.00 0.00 C ATOM 281 C GLY A 18 -0.184 -2.762 -7.340 1.00 0.00 C ATOM 282 O GLY A 18 0.305 -2.720 -8.470 1.00 0.00 O ATOM 0 H GLY A 18 1.289 -4.896 -7.753 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.414 -3.904 -5.546 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.200 -3.266 -5.789 1.00 0.00 H new ATOM 286 N VAL A 19 -1.198 -1.996 -6.966 1.00 0.00 N ATOM 287 CA VAL A 19 -1.843 -1.074 -7.888 1.00 0.00 C ATOM 288 C VAL A 19 -1.855 0.346 -7.329 1.00 0.00 C ATOM 289 O VAL A 19 -1.395 0.593 -6.210 1.00 0.00 O ATOM 290 CB VAL A 19 -3.294 -1.512 -8.197 1.00 0.00 C ATOM 291 CG1 VAL A 19 -3.320 -2.910 -8.796 1.00 0.00 C ATOM 292 CG2 VAL A 19 -4.159 -1.451 -6.945 1.00 0.00 C ATOM 0 H VAL A 19 -1.593 -1.995 -6.026 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.263 -1.090 -8.811 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.706 -0.817 -8.929 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.350 -3.197 -9.005 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.745 -2.920 -9.722 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.883 -3.616 -8.090 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.174 -1.764 -7.189 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.747 -2.116 -6.185 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.175 -0.430 -6.564 1.00 0.00 H new ATOM 302 N CYS A 20 -2.379 1.275 -8.114 1.00 0.00 N ATOM 303 CA CYS A 20 -2.496 2.661 -7.692 1.00 0.00 C ATOM 304 C CYS A 20 -3.955 3.098 -7.721 1.00 0.00 C ATOM 305 O CYS A 20 -4.682 2.809 -8.676 1.00 0.00 O ATOM 306 CB CYS A 20 -1.643 3.560 -8.592 1.00 0.00 C ATOM 307 SG CYS A 20 -1.879 3.274 -10.363 1.00 0.00 S ATOM 0 H CYS A 20 -2.732 1.091 -9.053 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.131 2.752 -6.669 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -1.874 4.602 -8.370 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.592 3.407 -8.348 1.00 0.00 H new ATOM 0 HG CYS A 20 -1.117 4.083 -11.038 1.00 0.00 H new ATOM 313 N ALA A 21 -4.383 3.778 -6.668 1.00 0.00 N ATOM 314 CA ALA A 21 -5.767 4.201 -6.540 1.00 0.00 C ATOM 315 C ALA A 21 -5.859 5.638 -6.048 1.00 0.00 C ATOM 316 O ALA A 21 -4.851 6.257 -5.700 1.00 0.00 O ATOM 317 CB ALA A 21 -6.508 3.273 -5.591 1.00 0.00 C ATOM 0 H ALA A 21 -3.787 4.049 -5.886 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.231 4.152 -7.525 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.545 3.597 -5.501 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.479 2.255 -5.980 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.033 3.300 -4.610 1.00 0.00 H new ATOM 323 N LEU A 22 -7.073 6.159 -6.015 1.00 0.00 N ATOM 324 CA LEU A 22 -7.312 7.519 -5.564 1.00 0.00 C ATOM 325 C LEU A 22 -8.369 7.512 -4.463 1.00 0.00 C ATOM 326 O LEU A 22 -9.459 6.967 -4.641 1.00 0.00 O ATOM 327 CB LEU A 22 -7.775 8.383 -6.745 1.00 0.00 C ATOM 328 CG LEU A 22 -7.309 9.844 -6.734 1.00 0.00 C ATOM 329 CD1 LEU A 22 -7.760 10.545 -8.004 1.00 0.00 C ATOM 330 CD2 LEU A 22 -7.830 10.587 -5.510 1.00 0.00 C ATOM 0 H LEU A 22 -7.914 5.656 -6.297 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.389 7.939 -5.165 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.427 7.918 -7.668 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.865 8.370 -6.773 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.220 9.848 -6.688 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.424 11.582 -7.986 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.332 10.040 -8.870 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.848 10.517 -8.068 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.480 11.619 -5.535 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.920 10.573 -5.512 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.463 10.101 -4.606 1.00 0.00 H new ATOM 342 N LEU A 23 -8.041 8.103 -3.327 1.00 0.00 N ATOM 343 CA LEU A 23 -8.967 8.186 -2.211 1.00 0.00 C ATOM 344 C LEU A 23 -9.219 9.650 -1.876 1.00 0.00 C ATOM 345 O LEU A 23 -8.370 10.312 -1.287 1.00 0.00 O ATOM 346 CB LEU A 23 -8.396 7.429 -0.998 1.00 0.00 C ATOM 347 CG LEU A 23 -9.331 7.254 0.212 1.00 0.00 C ATOM 348 CD1 LEU A 23 -8.866 6.087 1.066 1.00 0.00 C ATOM 349 CD2 LEU A 23 -9.373 8.514 1.064 1.00 0.00 C ATOM 0 H LEU A 23 -7.134 8.535 -3.153 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.916 7.722 -2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.083 6.440 -1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.500 7.951 -0.663 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.334 7.058 -0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.534 5.972 1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.876 5.174 0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.853 6.277 1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.042 8.359 1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.371 8.740 1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.736 9.348 0.463 1.00 0.00 H new ATOM 361 N GLY A 24 -10.373 10.157 -2.281 1.00 0.00 N ATOM 362 CA GLY A 24 -10.704 11.543 -2.021 1.00 0.00 C ATOM 363 C GLY A 24 -9.844 12.485 -2.828 1.00 0.00 C ATOM 364 O GLY A 24 -10.032 12.631 -4.036 1.00 0.00 O ATOM 0 H GLY A 24 -11.088 9.633 -2.786 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.754 11.717 -2.257 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.577 11.754 -0.959 1.00 0.00 H new ATOM 368 N ASP A 25 -8.896 13.119 -2.159 1.00 0.00 N ATOM 369 CA ASP A 25 -7.939 13.993 -2.822 1.00 0.00 C ATOM 370 C ASP A 25 -6.560 13.368 -2.743 1.00 0.00 C ATOM 371 O ASP A 25 -5.624 13.791 -3.419 1.00 0.00 O ATOM 372 CB ASP A 25 -7.900 15.377 -2.161 1.00 0.00 C ATOM 373 CG ASP A 25 -9.229 16.101 -2.200 1.00 0.00 C ATOM 374 OD1 ASP A 25 -9.531 16.756 -3.220 1.00 0.00 O ATOM 375 OD2 ASP A 25 -9.974 16.037 -1.201 1.00 0.00 O ATOM 0 H ASP A 25 -8.767 13.045 -1.150 1.00 0.00 H new ATOM 0 HA ASP A 25 -8.246 14.115 -3.861 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.585 15.267 -1.123 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.147 15.988 -2.659 1.00 0.00 H new ATOM 380 N GLU A 26 -6.458 12.347 -1.908 1.00 0.00 N ATOM 381 CA GLU A 26 -5.194 11.702 -1.619 1.00 0.00 C ATOM 382 C GLU A 26 -4.984 10.501 -2.533 1.00 0.00 C ATOM 383 O GLU A 26 -5.882 9.682 -2.719 1.00 0.00 O ATOM 384 CB GLU A 26 -5.154 11.240 -0.155 1.00 0.00 C ATOM 385 CG GLU A 26 -5.258 12.362 0.878 1.00 0.00 C ATOM 386 CD GLU A 26 -6.624 13.031 0.923 1.00 0.00 C ATOM 387 OE1 GLU A 26 -7.647 12.336 0.755 1.00 0.00 O ATOM 388 OE2 GLU A 26 -6.684 14.257 1.133 1.00 0.00 O ATOM 0 H GLU A 26 -7.253 11.944 -1.412 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.397 12.425 -1.792 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.970 10.537 0.011 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.225 10.696 0.014 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.029 11.958 1.864 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.502 13.116 0.659 1.00 0.00 H new ATOM 395 N GLN A 27 -3.802 10.402 -3.113 1.00 0.00 N ATOM 396 CA GLN A 27 -3.451 9.243 -3.913 1.00 0.00 C ATOM 397 C GLN A 27 -3.010 8.099 -2.997 1.00 0.00 C ATOM 398 O GLN A 27 -2.324 8.325 -1.998 1.00 0.00 O ATOM 399 CB GLN A 27 -2.349 9.598 -4.910 1.00 0.00 C ATOM 400 CG GLN A 27 -2.774 10.593 -5.976 1.00 0.00 C ATOM 401 CD GLN A 27 -1.659 10.907 -6.953 1.00 0.00 C ATOM 402 OE1 GLN A 27 -1.492 10.219 -7.960 1.00 0.00 O ATOM 403 NE2 GLN A 27 -0.895 11.949 -6.669 1.00 0.00 N ATOM 0 H GLN A 27 -3.070 11.109 -3.045 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.325 8.920 -4.479 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.499 10.007 -4.365 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.006 8.685 -5.397 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.629 10.193 -6.521 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.104 11.515 -5.497 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.068 12.493 -5.823 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.133 12.209 -7.296 1.00 0.00 H new ATOM 412 N VAL A 28 -3.411 6.878 -3.331 1.00 0.00 N ATOM 413 CA VAL A 28 -3.151 5.726 -2.470 1.00 0.00 C ATOM 414 C VAL A 28 -2.598 4.546 -3.276 1.00 0.00 C ATOM 415 O VAL A 28 -2.917 4.383 -4.453 1.00 0.00 O ATOM 416 CB VAL A 28 -4.441 5.283 -1.733 1.00 0.00 C ATOM 417 CG1 VAL A 28 -4.158 4.152 -0.757 1.00 0.00 C ATOM 418 CG2 VAL A 28 -5.076 6.455 -1.004 1.00 0.00 C ATOM 0 H VAL A 28 -3.916 6.658 -4.189 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.406 6.033 -1.736 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.140 4.918 -2.486 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.082 3.864 -0.256 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.757 3.296 -1.299 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.432 4.485 -0.015 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.979 6.120 -0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.373 6.853 -0.272 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.332 7.234 -1.722 1.00 0.00 H new ATOM 428 N ALA A 29 -1.755 3.740 -2.644 1.00 0.00 N ATOM 429 CA ALA A 29 -1.226 2.534 -3.269 1.00 0.00 C ATOM 430 C ALA A 29 -1.772 1.292 -2.574 1.00 0.00 C ATOM 431 O ALA A 29 -1.609 1.130 -1.365 1.00 0.00 O ATOM 432 CB ALA A 29 0.294 2.530 -3.227 1.00 0.00 C ATOM 0 H ALA A 29 -1.421 3.901 -1.694 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.544 2.523 -4.311 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.669 1.621 -3.699 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.675 3.400 -3.762 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.629 2.566 -2.191 1.00 0.00 H new ATOM 438 N ILE A 30 -2.417 0.424 -3.338 1.00 0.00 N ATOM 439 CA ILE A 30 -2.993 -0.798 -2.792 1.00 0.00 C ATOM 440 C ILE A 30 -2.159 -2.001 -3.208 1.00 0.00 C ATOM 441 O ILE A 30 -1.998 -2.269 -4.397 1.00 0.00 O ATOM 442 CB ILE A 30 -4.446 -1.008 -3.271 1.00 0.00 C ATOM 443 CG1 ILE A 30 -5.299 0.216 -2.933 1.00 0.00 C ATOM 444 CG2 ILE A 30 -5.040 -2.262 -2.642 1.00 0.00 C ATOM 445 CD1 ILE A 30 -6.713 0.131 -3.463 1.00 0.00 C ATOM 0 H ILE A 30 -2.556 0.543 -4.342 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.996 -0.698 -1.707 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.438 -1.138 -4.353 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.332 0.338 -1.850 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.820 1.106 -3.340 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.064 -2.394 -2.991 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.445 -3.129 -2.928 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.037 -2.161 -1.557 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.260 1.032 -3.186 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.690 0.040 -4.549 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.210 -0.740 -3.036 1.00 0.00 H new ATOM 457 N PHE A 31 -1.628 -2.717 -2.236 1.00 0.00 N ATOM 458 CA PHE A 31 -0.806 -3.882 -2.513 1.00 0.00 C ATOM 459 C PHE A 31 -1.467 -5.146 -1.989 1.00 0.00 C ATOM 460 O PHE A 31 -1.961 -5.177 -0.858 1.00 0.00 O ATOM 461 CB PHE A 31 0.579 -3.728 -1.877 1.00 0.00 C ATOM 462 CG PHE A 31 1.400 -2.612 -2.457 1.00 0.00 C ATOM 463 CD1 PHE A 31 2.189 -2.826 -3.576 1.00 0.00 C ATOM 464 CD2 PHE A 31 1.390 -1.352 -1.881 1.00 0.00 C ATOM 465 CE1 PHE A 31 2.950 -1.805 -4.111 1.00 0.00 C ATOM 466 CE2 PHE A 31 2.149 -0.328 -2.412 1.00 0.00 C ATOM 467 CZ PHE A 31 2.930 -0.555 -3.528 1.00 0.00 C ATOM 0 H PHE A 31 -1.751 -2.513 -1.244 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.696 -3.963 -3.594 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.459 -3.558 -0.807 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.126 -4.664 -1.991 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.209 -3.803 -4.035 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.782 -1.169 -1.007 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.560 -1.985 -4.984 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.132 0.650 -1.955 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.524 0.245 -3.944 1.00 0.00 H new ATOM 477 N ARG A 32 -1.485 -6.181 -2.816 1.00 0.00 N ATOM 478 CA ARG A 32 -1.951 -7.487 -2.391 1.00 0.00 C ATOM 479 C ARG A 32 -0.748 -8.414 -2.292 1.00 0.00 C ATOM 480 O ARG A 32 -0.260 -8.918 -3.302 1.00 0.00 O ATOM 481 CB ARG A 32 -2.975 -8.044 -3.390 1.00 0.00 C ATOM 482 CG ARG A 32 -3.620 -9.354 -2.960 1.00 0.00 C ATOM 483 CD ARG A 32 -4.609 -9.857 -4.005 1.00 0.00 C ATOM 484 NE ARG A 32 -5.352 -11.031 -3.548 1.00 0.00 N ATOM 485 CZ ARG A 32 -6.404 -11.551 -4.189 1.00 0.00 C ATOM 486 NH1 ARG A 32 -6.794 -11.058 -5.360 1.00 0.00 N ATOM 487 NH2 ARG A 32 -7.056 -12.576 -3.659 1.00 0.00 N ATOM 0 H ARG A 32 -1.180 -6.138 -3.789 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.442 -7.408 -1.421 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.757 -7.300 -3.543 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.484 -8.193 -4.351 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.847 -10.105 -2.797 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.134 -9.213 -2.009 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.310 -9.060 -4.252 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.072 -10.104 -4.921 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.048 -11.482 -2.685 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.290 -10.276 -5.778 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.598 -11.462 -5.841 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.755 -12.965 -2.766 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.859 -12.976 -4.145 1.00 0.00 H new ATOM 501 N PRO A 33 -0.240 -8.624 -1.072 1.00 0.00 N ATOM 502 CA PRO A 33 0.942 -9.440 -0.826 1.00 0.00 C ATOM 503 C PRO A 33 0.607 -10.862 -0.386 1.00 0.00 C ATOM 504 O PRO A 33 1.489 -11.627 0.002 1.00 0.00 O ATOM 505 CB PRO A 33 1.601 -8.671 0.311 1.00 0.00 C ATOM 506 CG PRO A 33 0.460 -8.106 1.103 1.00 0.00 C ATOM 507 CD PRO A 33 -0.733 -8.022 0.175 1.00 0.00 C ATOM 0 HA PRO A 33 1.556 -9.577 -1.716 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.222 -9.325 0.923 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.248 -7.881 -0.069 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.236 -8.740 1.961 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.714 -7.120 1.493 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.590 -8.566 0.572 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.052 -6.991 0.024 1.00 0.00 H new ATOM 515 N TYR A 34 -0.670 -11.198 -0.431 1.00 0.00 N ATOM 516 CA TYR A 34 -1.126 -12.521 -0.042 1.00 0.00 C ATOM 517 C TYR A 34 -1.903 -13.158 -1.182 1.00 0.00 C ATOM 518 O TYR A 34 -2.337 -12.470 -2.107 1.00 0.00 O ATOM 519 CB TYR A 34 -2.026 -12.453 1.193 1.00 0.00 C ATOM 520 CG TYR A 34 -1.356 -11.951 2.455 1.00 0.00 C ATOM 521 CD1 TYR A 34 -0.616 -12.807 3.262 1.00 0.00 C ATOM 522 CD2 TYR A 34 -1.493 -10.630 2.856 1.00 0.00 C ATOM 523 CE1 TYR A 34 -0.028 -12.355 4.429 1.00 0.00 C ATOM 524 CE2 TYR A 34 -0.914 -10.173 4.023 1.00 0.00 C ATOM 525 CZ TYR A 34 -0.184 -11.038 4.805 1.00 0.00 C ATOM 526 OH TYR A 34 0.381 -10.585 5.974 1.00 0.00 O ATOM 0 H TYR A 34 -1.413 -10.569 -0.735 1.00 0.00 H new ATOM 0 HA TYR A 34 -0.247 -13.121 0.194 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.874 -11.806 0.969 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.427 -13.448 1.385 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.498 -13.841 2.973 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.063 -9.947 2.244 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.550 -13.030 5.042 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.034 -9.142 4.321 1.00 0.00 H new ATOM 0 HH TYR A 34 0.176 -9.634 6.089 1.00 0.00 H new ATOM 536 N HIS A 35 -2.096 -14.465 -1.098 1.00 0.00 N ATOM 537 CA HIS A 35 -2.907 -15.177 -2.075 1.00 0.00 C ATOM 538 C HIS A 35 -4.364 -15.073 -1.657 1.00 0.00 C ATOM 539 O HIS A 35 -5.282 -15.293 -2.449 1.00 0.00 O ATOM 540 CB HIS A 35 -2.499 -16.653 -2.169 1.00 0.00 C ATOM 541 CG HIS A 35 -1.019 -16.881 -2.217 1.00 0.00 C ATOM 542 ND1 HIS A 35 -0.184 -16.267 -3.125 1.00 0.00 N ATOM 543 CD2 HIS A 35 -0.222 -17.663 -1.448 1.00 0.00 C ATOM 544 CE1 HIS A 35 1.055 -16.663 -2.915 1.00 0.00 C ATOM 545 NE2 HIS A 35 1.060 -17.505 -1.904 1.00 0.00 N ATOM 0 H HIS A 35 -1.703 -15.054 -0.364 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.756 -14.728 -3.057 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -2.910 -17.187 -1.312 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.951 -17.087 -3.061 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -0.479 -15.609 -3.847 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -0.538 -18.292 -0.629 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.921 -16.349 -3.478 1.00 0.00 H new ATOM 554 N SER A 36 -4.552 -14.730 -0.391 1.00 0.00 N ATOM 555 CA SER A 36 -5.868 -14.536 0.185 1.00 0.00 C ATOM 556 C SER A 36 -6.441 -13.186 -0.236 1.00 0.00 C ATOM 557 O SER A 36 -5.930 -12.543 -1.156 1.00 0.00 O ATOM 558 CB SER A 36 -5.766 -14.618 1.709 1.00 0.00 C ATOM 559 OG SER A 36 -4.772 -13.731 2.193 1.00 0.00 O ATOM 0 H SER A 36 -3.788 -14.578 0.267 1.00 0.00 H new ATOM 0 HA SER A 36 -6.538 -15.316 -0.176 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.729 -14.372 2.157 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.527 -15.638 2.008 1.00 0.00 H new ATOM 0 HG SER A 36 -4.723 -13.796 3.170 1.00 0.00 H new ATOM 565 N ASP A 37 -7.489 -12.753 0.443 1.00 0.00 N ATOM 566 CA ASP A 37 -8.152 -11.501 0.112 1.00 0.00 C ATOM 567 C ASP A 37 -7.671 -10.389 1.037 1.00 0.00 C ATOM 568 O ASP A 37 -8.407 -9.456 1.342 1.00 0.00 O ATOM 569 CB ASP A 37 -9.671 -11.669 0.217 1.00 0.00 C ATOM 570 CG ASP A 37 -10.220 -12.657 -0.797 1.00 0.00 C ATOM 571 OD1 ASP A 37 -9.994 -13.873 -0.630 1.00 0.00 O ATOM 572 OD2 ASP A 37 -10.876 -12.223 -1.768 1.00 0.00 O ATOM 0 H ASP A 37 -7.902 -13.252 1.231 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.902 -11.228 -0.913 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.927 -12.005 1.222 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.151 -10.701 0.072 1.00 0.00 H new ATOM 577 N GLN A 38 -6.425 -10.489 1.473 1.00 0.00 N ATOM 578 CA GLN A 38 -5.842 -9.477 2.343 1.00 0.00 C ATOM 579 C GLN A 38 -5.033 -8.469 1.532 1.00 0.00 C ATOM 580 O GLN A 38 -4.054 -8.831 0.875 1.00 0.00 O ATOM 581 CB GLN A 38 -4.949 -10.124 3.402 1.00 0.00 C ATOM 582 CG GLN A 38 -5.687 -11.086 4.318 1.00 0.00 C ATOM 583 CD GLN A 38 -4.782 -11.727 5.352 1.00 0.00 C ATOM 584 OE1 GLN A 38 -5.008 -12.864 5.768 1.00 0.00 O ATOM 585 NE2 GLN A 38 -3.761 -11.002 5.787 1.00 0.00 N ATOM 0 H GLN A 38 -5.798 -11.259 1.240 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.658 -8.954 2.842 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.139 -10.658 2.905 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.490 -9.341 4.006 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.490 -10.552 4.826 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.154 -11.866 3.717 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.608 -10.064 5.417 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.129 -11.382 6.491 1.00 0.00 H new ATOM 594 N VAL A 39 -5.449 -7.208 1.577 1.00 0.00 N ATOM 595 CA VAL A 39 -4.737 -6.136 0.890 1.00 0.00 C ATOM 596 C VAL A 39 -4.371 -5.031 1.875 1.00 0.00 C ATOM 597 O VAL A 39 -4.990 -4.907 2.931 1.00 0.00 O ATOM 598 CB VAL A 39 -5.570 -5.533 -0.266 1.00 0.00 C ATOM 599 CG1 VAL A 39 -5.807 -6.564 -1.359 1.00 0.00 C ATOM 600 CG2 VAL A 39 -6.896 -4.991 0.245 1.00 0.00 C ATOM 0 H VAL A 39 -6.279 -6.902 2.084 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.833 -6.572 0.465 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.001 -4.706 -0.690 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.395 -6.116 -2.160 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.849 -6.900 -1.756 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.347 -7.415 -0.945 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.463 -4.573 -0.587 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.467 -5.799 0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.710 -4.213 0.985 1.00 0.00 H new ATOM 610 N PHE A 40 -3.361 -4.244 1.534 1.00 0.00 N ATOM 611 CA PHE A 40 -2.948 -3.121 2.366 1.00 0.00 C ATOM 612 C PHE A 40 -2.748 -1.880 1.509 1.00 0.00 C ATOM 613 O PHE A 40 -2.398 -1.981 0.332 1.00 0.00 O ATOM 614 CB PHE A 40 -1.665 -3.451 3.137 1.00 0.00 C ATOM 615 CG PHE A 40 -1.882 -4.398 4.284 1.00 0.00 C ATOM 616 CD1 PHE A 40 -2.233 -3.914 5.535 1.00 0.00 C ATOM 617 CD2 PHE A 40 -1.736 -5.765 4.117 1.00 0.00 C ATOM 618 CE1 PHE A 40 -2.439 -4.775 6.595 1.00 0.00 C ATOM 619 CE2 PHE A 40 -1.941 -6.632 5.173 1.00 0.00 C ATOM 620 CZ PHE A 40 -2.291 -6.136 6.415 1.00 0.00 C ATOM 0 H PHE A 40 -2.810 -4.362 0.684 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.737 -2.925 3.093 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.939 -3.885 2.450 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.231 -2.526 3.517 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.347 -2.850 5.682 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.459 -6.158 3.150 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -2.715 -4.384 7.563 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.828 -7.696 5.028 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.448 -6.812 7.243 1.00 0.00 H new ATOM 630 N ALA A 41 -2.979 -0.714 2.097 1.00 0.00 N ATOM 631 CA ALA A 41 -2.887 0.537 1.365 1.00 0.00 C ATOM 632 C ALA A 41 -1.981 1.537 2.075 1.00 0.00 C ATOM 633 O ALA A 41 -2.107 1.767 3.280 1.00 0.00 O ATOM 634 CB ALA A 41 -4.272 1.128 1.172 1.00 0.00 C ATOM 0 H ALA A 41 -3.232 -0.611 3.080 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.446 0.325 0.391 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.194 2.066 0.622 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.891 0.429 0.610 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.727 1.314 2.145 1.00 0.00 H new ATOM 640 N ILE A 42 -1.064 2.120 1.321 1.00 0.00 N ATOM 641 CA ILE A 42 -0.164 3.140 1.843 1.00 0.00 C ATOM 642 C ILE A 42 -0.156 4.346 0.915 1.00 0.00 C ATOM 643 O ILE A 42 -0.845 4.353 -0.107 1.00 0.00 O ATOM 644 CB ILE A 42 1.284 2.616 2.001 1.00 0.00 C ATOM 645 CG1 ILE A 42 1.808 2.067 0.669 1.00 0.00 C ATOM 646 CG2 ILE A 42 1.357 1.551 3.087 1.00 0.00 C ATOM 647 CD1 ILE A 42 3.253 1.616 0.722 1.00 0.00 C ATOM 0 H ILE A 42 -0.921 1.903 0.335 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.532 3.420 2.830 1.00 0.00 H new ATOM 0 HB ILE A 42 1.918 3.451 2.300 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.185 1.226 0.363 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.705 2.836 -0.097 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.384 1.197 3.181 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.032 1.976 4.036 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.708 0.716 2.822 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.553 1.240 -0.256 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.887 2.459 0.997 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.360 0.824 1.463 1.00 0.00 H new ATOM 659 N SER A 43 0.608 5.363 1.274 1.00 0.00 N ATOM 660 CA SER A 43 0.783 6.520 0.412 1.00 0.00 C ATOM 661 C SER A 43 1.600 6.125 -0.818 1.00 0.00 C ATOM 662 O SER A 43 2.742 5.694 -0.688 1.00 0.00 O ATOM 663 CB SER A 43 1.498 7.632 1.183 1.00 0.00 C ATOM 664 OG SER A 43 0.905 7.830 2.457 1.00 0.00 O ATOM 0 H SER A 43 1.117 5.412 2.156 1.00 0.00 H new ATOM 0 HA SER A 43 -0.193 6.883 0.089 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.551 7.377 1.304 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.458 8.559 0.611 1.00 0.00 H new ATOM 0 HG SER A 43 0.867 8.789 2.655 1.00 0.00 H new ATOM 670 N ASN A 44 1.010 6.247 -2.004 1.00 0.00 N ATOM 671 CA ASN A 44 1.715 5.890 -3.235 1.00 0.00 C ATOM 672 C ASN A 44 2.707 6.981 -3.600 1.00 0.00 C ATOM 673 O ASN A 44 3.735 6.713 -4.205 1.00 0.00 O ATOM 674 CB ASN A 44 0.736 5.646 -4.396 1.00 0.00 C ATOM 675 CG ASN A 44 -0.024 6.888 -4.810 1.00 0.00 C ATOM 676 OD1 ASN A 44 -0.244 7.785 -4.006 1.00 0.00 O ATOM 677 ND2 ASN A 44 -0.447 6.939 -6.063 1.00 0.00 N ATOM 0 H ASN A 44 0.058 6.586 -2.140 1.00 0.00 H new ATOM 0 HA ASN A 44 2.254 4.959 -3.057 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.289 5.264 -5.254 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.024 4.873 -4.106 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.977 7.747 -6.390 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.243 6.171 -6.702 1.00 0.00 H new ATOM 684 N ILE A 45 2.371 8.210 -3.237 1.00 0.00 N ATOM 685 CA ILE A 45 3.276 9.335 -3.380 1.00 0.00 C ATOM 686 C ILE A 45 3.886 9.630 -2.014 1.00 0.00 C ATOM 687 O ILE A 45 3.187 10.100 -1.114 1.00 0.00 O ATOM 688 CB ILE A 45 2.540 10.602 -3.879 1.00 0.00 C ATOM 689 CG1 ILE A 45 1.655 10.291 -5.094 1.00 0.00 C ATOM 690 CG2 ILE A 45 3.538 11.704 -4.213 1.00 0.00 C ATOM 691 CD1 ILE A 45 2.409 9.809 -6.314 1.00 0.00 C ATOM 0 H ILE A 45 1.465 8.453 -2.836 1.00 0.00 H new ATOM 0 HA ILE A 45 4.039 9.077 -4.114 1.00 0.00 H new ATOM 0 HB ILE A 45 1.893 10.950 -3.074 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.925 9.533 -4.811 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.096 11.188 -5.359 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.002 12.587 -4.562 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.112 11.957 -3.322 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.214 11.358 -4.994 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.705 9.614 -7.123 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.120 10.573 -6.628 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.946 8.892 -6.071 1.00 0.00 H new ATOM 703 N ASP A 46 5.163 9.325 -1.837 1.00 0.00 N ATOM 704 CA ASP A 46 5.789 9.478 -0.527 1.00 0.00 C ATOM 705 C ASP A 46 6.043 10.957 -0.225 1.00 0.00 C ATOM 706 O ASP A 46 6.357 11.736 -1.123 1.00 0.00 O ATOM 707 CB ASP A 46 7.095 8.678 -0.445 1.00 0.00 C ATOM 708 CG ASP A 46 8.291 9.442 -0.971 1.00 0.00 C ATOM 709 OD1 ASP A 46 8.554 9.386 -2.188 1.00 0.00 O ATOM 710 OD2 ASP A 46 8.973 10.100 -0.160 1.00 0.00 O ATOM 0 H ASP A 46 5.780 8.975 -2.570 1.00 0.00 H new ATOM 0 HA ASP A 46 5.105 9.083 0.224 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.278 8.397 0.592 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.984 7.753 -1.011 1.00 0.00 H new ATOM 715 N PRO A 47 5.874 11.374 1.041 1.00 0.00 N ATOM 716 CA PRO A 47 6.037 12.766 1.442 1.00 0.00 C ATOM 717 C PRO A 47 7.419 13.094 2.013 1.00 0.00 C ATOM 718 O PRO A 47 7.674 14.229 2.416 1.00 0.00 O ATOM 719 CB PRO A 47 4.969 12.897 2.522 1.00 0.00 C ATOM 720 CG PRO A 47 4.911 11.547 3.174 1.00 0.00 C ATOM 721 CD PRO A 47 5.454 10.541 2.178 1.00 0.00 C ATOM 0 HA PRO A 47 5.942 13.450 0.599 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.229 13.673 3.242 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.005 13.170 2.093 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.501 11.537 4.090 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.887 11.298 3.452 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.290 9.977 2.592 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.694 9.816 1.885 1.00 0.00 H new ATOM 729 N PHE A 48 8.305 12.108 2.059 1.00 0.00 N ATOM 730 CA PHE A 48 9.636 12.325 2.612 1.00 0.00 C ATOM 731 C PHE A 48 10.600 12.736 1.510 1.00 0.00 C ATOM 732 O PHE A 48 11.186 13.819 1.544 1.00 0.00 O ATOM 733 CB PHE A 48 10.151 11.066 3.317 1.00 0.00 C ATOM 734 CG PHE A 48 11.446 11.286 4.053 1.00 0.00 C ATOM 735 CD1 PHE A 48 11.444 11.753 5.357 1.00 0.00 C ATOM 736 CD2 PHE A 48 12.664 11.032 3.439 1.00 0.00 C ATOM 737 CE1 PHE A 48 12.629 11.962 6.036 1.00 0.00 C ATOM 738 CE2 PHE A 48 13.852 11.238 4.113 1.00 0.00 C ATOM 739 CZ PHE A 48 13.835 11.705 5.413 1.00 0.00 C ATOM 0 H PHE A 48 8.130 11.160 1.724 1.00 0.00 H new ATOM 0 HA PHE A 48 9.571 13.126 3.348 1.00 0.00 H new ATOM 0 HB2 PHE A 48 9.395 10.717 4.021 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.289 10.275 2.580 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.504 11.956 5.849 1.00 0.00 H new ATOM 0 HD2 PHE A 48 12.683 10.669 2.422 1.00 0.00 H new ATOM 0 HE1 PHE A 48 12.613 12.326 7.053 1.00 0.00 H new ATOM 0 HE2 PHE A 48 14.793 11.034 3.624 1.00 0.00 H new ATOM 0 HZ PHE A 48 14.763 11.869 5.941 1.00 0.00 H new ATOM 749 N PHE A 49 10.743 11.870 0.526 1.00 0.00 N ATOM 750 CA PHE A 49 11.629 12.112 -0.595 1.00 0.00 C ATOM 751 C PHE A 49 10.830 12.730 -1.729 1.00 0.00 C ATOM 752 O PHE A 49 11.358 13.487 -2.548 1.00 0.00 O ATOM 753 CB PHE A 49 12.269 10.797 -1.045 1.00 0.00 C ATOM 754 CG PHE A 49 13.373 10.960 -2.049 1.00 0.00 C ATOM 755 CD1 PHE A 49 14.681 11.138 -1.631 1.00 0.00 C ATOM 756 CD2 PHE A 49 13.105 10.932 -3.409 1.00 0.00 C ATOM 757 CE1 PHE A 49 15.701 11.286 -2.549 1.00 0.00 C ATOM 758 CE2 PHE A 49 14.121 11.079 -4.331 1.00 0.00 C ATOM 759 CZ PHE A 49 15.420 11.257 -3.900 1.00 0.00 C ATOM 0 H PHE A 49 10.248 10.979 0.481 1.00 0.00 H new ATOM 0 HA PHE A 49 12.424 12.797 -0.300 1.00 0.00 H new ATOM 0 HB2 PHE A 49 12.663 10.280 -0.170 1.00 0.00 H new ATOM 0 HB3 PHE A 49 11.496 10.158 -1.472 1.00 0.00 H new ATOM 0 HD1 PHE A 49 14.906 11.161 -0.575 1.00 0.00 H new ATOM 0 HD2 PHE A 49 12.090 10.794 -3.751 1.00 0.00 H new ATOM 0 HE1 PHE A 49 16.717 11.424 -2.211 1.00 0.00 H new ATOM 0 HE2 PHE A 49 13.900 11.055 -5.388 1.00 0.00 H new ATOM 0 HZ PHE A 49 16.217 11.374 -4.620 1.00 0.00 H new ATOM 769 N GLU A 50 9.546 12.387 -1.751 1.00 0.00 N ATOM 770 CA GLU A 50 8.593 12.910 -2.717 1.00 0.00 C ATOM 771 C GLU A 50 8.895 12.396 -4.114 1.00 0.00 C ATOM 772 O GLU A 50 9.369 13.133 -4.983 1.00 0.00 O ATOM 773 CB GLU A 50 8.552 14.440 -2.693 1.00 0.00 C ATOM 774 CG GLU A 50 8.123 15.004 -1.350 1.00 0.00 C ATOM 775 CD GLU A 50 8.040 16.511 -1.354 1.00 0.00 C ATOM 776 OE1 GLU A 50 6.982 17.050 -1.748 1.00 0.00 O ATOM 777 OE2 GLU A 50 9.030 17.164 -0.964 1.00 0.00 O ATOM 0 H GLU A 50 9.135 11.729 -1.089 1.00 0.00 H new ATOM 0 HA GLU A 50 7.605 12.550 -2.431 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.539 14.828 -2.944 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.866 14.791 -3.464 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.151 14.591 -1.080 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.829 14.685 -0.583 1.00 0.00 H new ATOM 784 N SER A 51 8.658 11.112 -4.301 1.00 0.00 N ATOM 785 CA SER A 51 8.765 10.488 -5.604 1.00 0.00 C ATOM 786 C SER A 51 7.365 10.214 -6.145 1.00 0.00 C ATOM 787 O SER A 51 6.386 10.770 -5.646 1.00 0.00 O ATOM 788 CB SER A 51 9.590 9.198 -5.513 1.00 0.00 C ATOM 789 OG SER A 51 9.068 8.298 -4.549 1.00 0.00 O ATOM 0 H SER A 51 8.386 10.473 -3.554 1.00 0.00 H new ATOM 0 HA SER A 51 9.281 11.159 -6.291 1.00 0.00 H new ATOM 0 HB2 SER A 51 9.611 8.712 -6.488 1.00 0.00 H new ATOM 0 HB3 SER A 51 10.621 9.444 -5.258 1.00 0.00 H new ATOM 0 HG SER A 51 9.246 8.643 -3.649 1.00 0.00 H new ATOM 795 N SER A 52 7.267 9.395 -7.176 1.00 0.00 N ATOM 796 CA SER A 52 5.975 9.066 -7.743 1.00 0.00 C ATOM 797 C SER A 52 5.411 7.796 -7.108 1.00 0.00 C ATOM 798 O SER A 52 5.757 7.459 -5.978 1.00 0.00 O ATOM 799 CB SER A 52 6.089 8.935 -9.262 1.00 0.00 C ATOM 800 OG SER A 52 7.342 8.384 -9.640 1.00 0.00 O ATOM 0 H SER A 52 8.061 8.949 -7.634 1.00 0.00 H new ATOM 0 HA SER A 52 5.276 9.873 -7.525 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.284 8.303 -9.636 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.966 9.915 -9.724 1.00 0.00 H new ATOM 0 HG SER A 52 7.386 8.310 -10.616 1.00 0.00 H new ATOM 806 N VAL A 53 4.563 7.089 -7.845 1.00 0.00 N ATOM 807 CA VAL A 53 3.819 5.966 -7.293 1.00 0.00 C ATOM 808 C VAL A 53 4.732 4.787 -6.949 1.00 0.00 C ATOM 809 O VAL A 53 5.482 4.279 -7.784 1.00 0.00 O ATOM 810 CB VAL A 53 2.703 5.499 -8.259 1.00 0.00 C ATOM 811 CG1 VAL A 53 1.688 6.612 -8.475 1.00 0.00 C ATOM 812 CG2 VAL A 53 3.274 5.041 -9.596 1.00 0.00 C ATOM 0 H VAL A 53 4.374 7.275 -8.830 1.00 0.00 H new ATOM 0 HA VAL A 53 3.361 6.322 -6.371 1.00 0.00 H new ATOM 0 HB VAL A 53 2.204 4.646 -7.799 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.910 6.268 -9.156 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.239 6.885 -7.520 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.187 7.481 -8.903 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.461 4.720 -10.248 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.811 5.866 -10.064 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.959 4.208 -9.433 1.00 0.00 H new ATOM 822 N LEU A 54 4.649 4.368 -5.695 1.00 0.00 N ATOM 823 CA LEU A 54 5.445 3.262 -5.179 1.00 0.00 C ATOM 824 C LEU A 54 4.896 1.918 -5.659 1.00 0.00 C ATOM 825 O LEU A 54 5.455 0.864 -5.356 1.00 0.00 O ATOM 826 CB LEU A 54 5.445 3.307 -3.650 1.00 0.00 C ATOM 827 CG LEU A 54 5.833 4.657 -3.039 1.00 0.00 C ATOM 828 CD1 LEU A 54 5.632 4.638 -1.532 1.00 0.00 C ATOM 829 CD2 LEU A 54 7.272 5.013 -3.384 1.00 0.00 C ATOM 0 H LEU A 54 4.026 4.786 -5.004 1.00 0.00 H new ATOM 0 HA LEU A 54 6.464 3.364 -5.552 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.451 3.037 -3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.133 2.547 -3.280 1.00 0.00 H new ATOM 0 HG LEU A 54 5.183 5.423 -3.463 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.913 5.605 -1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.585 4.436 -1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.254 3.859 -1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.525 5.976 -2.940 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.940 4.246 -2.993 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.382 5.073 -4.467 1.00 0.00 H new ATOM 841 N SER A 55 3.801 1.967 -6.417 1.00 0.00 N ATOM 842 CA SER A 55 3.160 0.766 -6.941 1.00 0.00 C ATOM 843 C SER A 55 4.071 0.046 -7.937 1.00 0.00 C ATOM 844 O SER A 55 3.853 -1.118 -8.273 1.00 0.00 O ATOM 845 CB SER A 55 1.839 1.145 -7.612 1.00 0.00 C ATOM 846 OG SER A 55 1.059 1.971 -6.760 1.00 0.00 O ATOM 0 H SER A 55 3.337 2.836 -6.683 1.00 0.00 H new ATOM 0 HA SER A 55 2.966 0.085 -6.112 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.038 1.666 -8.548 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.281 0.243 -7.862 1.00 0.00 H new ATOM 0 HG SER A 55 0.272 1.474 -6.454 1.00 0.00 H new ATOM 852 N ARG A 56 5.100 0.748 -8.395 1.00 0.00 N ATOM 853 CA ARG A 56 6.069 0.177 -9.318 1.00 0.00 C ATOM 854 C ARG A 56 7.226 -0.452 -8.552 1.00 0.00 C ATOM 855 O ARG A 56 8.385 -0.330 -8.952 1.00 0.00 O ATOM 856 CB ARG A 56 6.607 1.241 -10.274 1.00 0.00 C ATOM 857 CG ARG A 56 5.534 1.957 -11.071 1.00 0.00 C ATOM 858 CD ARG A 56 6.125 2.664 -12.280 1.00 0.00 C ATOM 859 NE ARG A 56 7.348 3.398 -11.954 1.00 0.00 N ATOM 860 CZ ARG A 56 7.462 4.723 -12.020 1.00 0.00 C ATOM 861 NH1 ARG A 56 6.416 5.465 -12.361 1.00 0.00 N ATOM 862 NH2 ARG A 56 8.624 5.303 -11.744 1.00 0.00 N ATOM 0 H ARG A 56 5.284 1.718 -8.140 1.00 0.00 H new ATOM 0 HA ARG A 56 5.562 -0.592 -9.900 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.171 1.977 -9.701 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.306 0.772 -10.966 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.781 1.240 -11.398 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.028 2.682 -10.434 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.341 1.931 -13.057 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.388 3.355 -12.690 1.00 0.00 H new ATOM 0 HE ARG A 56 8.164 2.862 -11.658 1.00 0.00 H new ATOM 0 HH11 ARG A 56 5.523 5.020 -12.573 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.505 6.480 -12.411 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.429 4.734 -11.482 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.712 6.318 -11.794 1.00 0.00 H new ATOM 876 N GLY A 57 6.911 -1.137 -7.463 1.00 0.00 N ATOM 877 CA GLY A 57 7.940 -1.702 -6.621 1.00 0.00 C ATOM 878 C GLY A 57 7.631 -3.129 -6.231 1.00 0.00 C ATOM 879 O GLY A 57 6.479 -3.558 -6.285 1.00 0.00 O ATOM 0 H GLY A 57 5.957 -1.311 -7.148 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.896 -1.668 -7.144 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.047 -1.095 -5.722 1.00 0.00 H new ATOM 883 N LEU A 58 8.659 -3.862 -5.837 1.00 0.00 N ATOM 884 CA LEU A 58 8.538 -5.296 -5.621 1.00 0.00 C ATOM 885 C LEU A 58 8.268 -5.613 -4.158 1.00 0.00 C ATOM 886 O LEU A 58 8.905 -5.056 -3.263 1.00 0.00 O ATOM 887 CB LEU A 58 9.813 -6.027 -6.078 1.00 0.00 C ATOM 888 CG LEU A 58 10.105 -6.002 -7.587 1.00 0.00 C ATOM 889 CD1 LEU A 58 8.865 -6.392 -8.379 1.00 0.00 C ATOM 890 CD2 LEU A 58 10.626 -4.639 -8.030 1.00 0.00 C ATOM 0 H LEU A 58 9.591 -3.487 -5.659 1.00 0.00 H new ATOM 0 HA LEU A 58 7.693 -5.644 -6.215 1.00 0.00 H new ATOM 0 HB2 LEU A 58 10.664 -5.589 -5.557 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.745 -7.067 -5.759 1.00 0.00 H new ATOM 0 HG LEU A 58 10.887 -6.735 -7.788 1.00 0.00 H new ATOM 0 HD11 LEU A 58 9.092 -6.368 -9.445 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.554 -7.398 -8.096 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.060 -5.689 -8.164 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.822 -4.655 -9.102 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.880 -3.875 -7.809 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.548 -4.411 -7.496 1.00 0.00 H new ATOM 902 N ILE A 59 7.317 -6.502 -3.924 1.00 0.00 N ATOM 903 CA ILE A 59 7.030 -6.980 -2.582 1.00 0.00 C ATOM 904 C ILE A 59 8.001 -8.100 -2.221 1.00 0.00 C ATOM 905 O ILE A 59 8.090 -9.108 -2.926 1.00 0.00 O ATOM 906 CB ILE A 59 5.579 -7.496 -2.465 1.00 0.00 C ATOM 907 CG1 ILE A 59 4.590 -6.397 -2.869 1.00 0.00 C ATOM 908 CG2 ILE A 59 5.293 -7.980 -1.049 1.00 0.00 C ATOM 909 CD1 ILE A 59 3.143 -6.851 -2.886 1.00 0.00 C ATOM 0 H ILE A 59 6.728 -6.909 -4.650 1.00 0.00 H new ATOM 0 HA ILE A 59 7.149 -6.145 -1.892 1.00 0.00 H new ATOM 0 HB ILE A 59 5.456 -8.340 -3.144 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.690 -5.560 -2.179 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.857 -6.027 -3.859 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.266 -8.339 -0.988 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.977 -8.791 -0.797 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.432 -7.157 -0.348 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.504 -6.019 -3.181 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.026 -7.668 -3.598 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.857 -7.193 -1.891 1.00 0.00 H new ATOM 921 N ALA A 60 8.735 -7.912 -1.138 1.00 0.00 N ATOM 922 CA ALA A 60 9.736 -8.876 -0.718 1.00 0.00 C ATOM 923 C ALA A 60 9.585 -9.203 0.755 1.00 0.00 C ATOM 924 O ALA A 60 9.263 -8.334 1.567 1.00 0.00 O ATOM 925 CB ALA A 60 11.133 -8.337 -0.994 1.00 0.00 C ATOM 0 H ALA A 60 8.655 -7.096 -0.531 1.00 0.00 H new ATOM 0 HA ALA A 60 9.589 -9.792 -1.290 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.875 -9.069 -0.675 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.246 -8.148 -2.062 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.280 -7.408 -0.444 1.00 0.00 H new ATOM 931 N GLU A 61 9.805 -10.461 1.094 1.00 0.00 N ATOM 932 CA GLU A 61 9.775 -10.887 2.480 1.00 0.00 C ATOM 933 C GLU A 61 11.132 -10.622 3.123 1.00 0.00 C ATOM 934 O GLU A 61 12.160 -11.132 2.667 1.00 0.00 O ATOM 935 CB GLU A 61 9.381 -12.369 2.573 1.00 0.00 C ATOM 936 CG GLU A 61 9.267 -12.904 3.994 1.00 0.00 C ATOM 937 CD GLU A 61 10.574 -13.457 4.523 1.00 0.00 C ATOM 938 OE1 GLU A 61 10.989 -14.542 4.067 1.00 0.00 O ATOM 939 OE2 GLU A 61 11.188 -12.821 5.401 1.00 0.00 O ATOM 0 H GLU A 61 10.007 -11.206 0.427 1.00 0.00 H new ATOM 0 HA GLU A 61 9.023 -10.316 3.024 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.426 -12.510 2.067 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.119 -12.963 2.033 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.924 -12.105 4.651 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.509 -13.687 4.022 1.00 0.00 H new ATOM 946 N HIS A 62 11.131 -9.805 4.163 1.00 0.00 N ATOM 947 CA HIS A 62 12.355 -9.433 4.851 1.00 0.00 C ATOM 948 C HIS A 62 12.177 -9.606 6.352 1.00 0.00 C ATOM 949 O HIS A 62 11.350 -8.930 6.961 1.00 0.00 O ATOM 950 CB HIS A 62 12.725 -7.981 4.520 1.00 0.00 C ATOM 951 CG HIS A 62 14.071 -7.554 5.028 1.00 0.00 C ATOM 952 ND1 HIS A 62 15.245 -7.859 4.379 1.00 0.00 N ATOM 953 CD2 HIS A 62 14.424 -6.829 6.118 1.00 0.00 C ATOM 954 CE1 HIS A 62 16.262 -7.344 5.041 1.00 0.00 C ATOM 955 NE2 HIS A 62 15.794 -6.713 6.101 1.00 0.00 N ATOM 0 H HIS A 62 10.287 -9.384 4.552 1.00 0.00 H new ATOM 0 HA HIS A 62 13.164 -10.082 4.516 1.00 0.00 H new ATOM 0 HB2 HIS A 62 12.700 -7.850 3.438 1.00 0.00 H new ATOM 0 HB3 HIS A 62 11.966 -7.321 4.939 1.00 0.00 H new ATOM 0 HD2 HIS A 62 13.755 -6.420 6.860 1.00 0.00 H new ATOM 0 HE1 HIS A 62 17.302 -7.425 4.763 1.00 0.00 H new ATOM 0 HE2 HIS A 62 16.356 -6.220 6.794 1.00 0.00 H new ATOM 964 N GLN A 63 12.937 -10.533 6.926 1.00 0.00 N ATOM 965 CA GLN A 63 12.918 -10.798 8.365 1.00 0.00 C ATOM 966 C GLN A 63 11.531 -11.280 8.813 1.00 0.00 C ATOM 967 O GLN A 63 11.121 -11.088 9.960 1.00 0.00 O ATOM 968 CB GLN A 63 13.342 -9.537 9.133 1.00 0.00 C ATOM 969 CG GLN A 63 13.676 -9.779 10.594 1.00 0.00 C ATOM 970 CD GLN A 63 14.129 -8.515 11.295 1.00 0.00 C ATOM 971 OE1 GLN A 63 15.321 -8.211 11.343 1.00 0.00 O ATOM 972 NE2 GLN A 63 13.181 -7.769 11.837 1.00 0.00 N ATOM 0 H GLN A 63 13.586 -11.125 6.407 1.00 0.00 H new ATOM 0 HA GLN A 63 13.629 -11.594 8.587 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.211 -9.101 8.641 1.00 0.00 H new ATOM 0 HB3 GLN A 63 12.540 -8.802 9.073 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.800 -10.181 11.103 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.460 -10.533 10.666 1.00 0.00 H new ATOM 0 HE21 GLN A 63 12.205 -8.059 11.774 1.00 0.00 H new ATOM 0 HE22 GLN A 63 13.426 -6.904 12.318 1.00 0.00 H new ATOM 981 N GLY A 64 10.817 -11.928 7.899 1.00 0.00 N ATOM 982 CA GLY A 64 9.508 -12.460 8.214 1.00 0.00 C ATOM 983 C GLY A 64 8.395 -11.467 7.946 1.00 0.00 C ATOM 984 O GLY A 64 7.221 -11.769 8.161 1.00 0.00 O ATOM 0 H GLY A 64 11.125 -12.094 6.941 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.335 -13.361 7.626 1.00 0.00 H new ATOM 0 HA3 GLY A 64 9.482 -12.754 9.263 1.00 0.00 H new ATOM 988 N GLU A 65 8.764 -10.285 7.480 1.00 0.00 N ATOM 989 CA GLU A 65 7.800 -9.226 7.224 1.00 0.00 C ATOM 990 C GLU A 65 7.640 -9.012 5.726 1.00 0.00 C ATOM 991 O GLU A 65 8.538 -9.326 4.946 1.00 0.00 O ATOM 992 CB GLU A 65 8.260 -7.922 7.871 1.00 0.00 C ATOM 993 CG GLU A 65 8.686 -8.061 9.321 1.00 0.00 C ATOM 994 CD GLU A 65 9.186 -6.754 9.901 1.00 0.00 C ATOM 995 OE1 GLU A 65 10.285 -6.309 9.517 1.00 0.00 O ATOM 996 OE2 GLU A 65 8.473 -6.162 10.739 1.00 0.00 O ATOM 0 H GLU A 65 9.730 -10.033 7.270 1.00 0.00 H new ATOM 0 HA GLU A 65 6.843 -9.523 7.653 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.094 -7.519 7.296 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.451 -7.195 7.810 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.843 -8.420 9.912 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.471 -8.813 9.396 1.00 0.00 H new ATOM 1003 N LEU A 66 6.502 -8.471 5.329 1.00 0.00 N ATOM 1004 CA LEU A 66 6.249 -8.179 3.929 1.00 0.00 C ATOM 1005 C LEU A 66 6.541 -6.711 3.640 1.00 0.00 C ATOM 1006 O LEU A 66 5.768 -5.823 4.015 1.00 0.00 O ATOM 1007 CB LEU A 66 4.802 -8.521 3.572 1.00 0.00 C ATOM 1008 CG LEU A 66 4.401 -9.974 3.840 1.00 0.00 C ATOM 1009 CD1 LEU A 66 2.924 -10.179 3.556 1.00 0.00 C ATOM 1010 CD2 LEU A 66 5.234 -10.926 2.996 1.00 0.00 C ATOM 0 H LEU A 66 5.737 -8.225 5.957 1.00 0.00 H new ATOM 0 HA LEU A 66 6.909 -8.791 3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.139 -7.866 4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.642 -8.303 2.516 1.00 0.00 H new ATOM 0 HG LEU A 66 4.588 -10.190 4.892 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.657 -11.217 3.752 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.336 -9.525 4.200 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.718 -9.942 2.512 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.933 -11.953 3.202 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.078 -10.707 1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.289 -10.801 3.241 1.00 0.00 H new ATOM 1022 N TRP A 67 7.671 -6.463 2.996 1.00 0.00 N ATOM 1023 CA TRP A 67 8.096 -5.110 2.667 1.00 0.00 C ATOM 1024 C TRP A 67 7.941 -4.858 1.174 1.00 0.00 C ATOM 1025 O TRP A 67 8.040 -5.782 0.370 1.00 0.00 O ATOM 1026 CB TRP A 67 9.562 -4.893 3.065 1.00 0.00 C ATOM 1027 CG TRP A 67 9.812 -4.887 4.546 1.00 0.00 C ATOM 1028 CD1 TRP A 67 9.881 -5.970 5.375 1.00 0.00 C ATOM 1029 CD2 TRP A 67 10.048 -3.739 5.369 1.00 0.00 C ATOM 1030 NE1 TRP A 67 10.144 -5.563 6.662 1.00 0.00 N ATOM 1031 CE2 TRP A 67 10.248 -4.201 6.683 1.00 0.00 C ATOM 1032 CE3 TRP A 67 10.110 -2.367 5.124 1.00 0.00 C ATOM 1033 CZ2 TRP A 67 10.503 -3.339 7.745 1.00 0.00 C ATOM 1034 CZ3 TRP A 67 10.363 -1.513 6.179 1.00 0.00 C ATOM 1035 CH2 TRP A 67 10.558 -2.002 7.476 1.00 0.00 C ATOM 0 H TRP A 67 8.317 -7.190 2.688 1.00 0.00 H new ATOM 0 HA TRP A 67 7.467 -4.413 3.222 1.00 0.00 H new ATOM 0 HB2 TRP A 67 10.168 -5.676 2.610 1.00 0.00 H new ATOM 0 HB3 TRP A 67 9.902 -3.945 2.648 1.00 0.00 H new ATOM 0 HD1 TRP A 67 9.748 -6.996 5.065 1.00 0.00 H new ATOM 0 HE1 TRP A 67 10.245 -6.178 7.469 1.00 0.00 H new ATOM 0 HE3 TRP A 67 9.963 -1.980 4.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 10.652 -3.714 8.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 10.411 -0.449 6.000 1.00 0.00 H new ATOM 0 HH2 TRP A 67 10.756 -1.308 8.279 1.00 0.00 H new ATOM 1046 N VAL A 68 7.686 -3.616 0.805 1.00 0.00 N ATOM 1047 CA VAL A 68 7.669 -3.236 -0.595 1.00 0.00 C ATOM 1048 C VAL A 68 8.886 -2.371 -0.902 1.00 0.00 C ATOM 1049 O VAL A 68 9.170 -1.401 -0.194 1.00 0.00 O ATOM 1050 CB VAL A 68 6.362 -2.503 -0.991 1.00 0.00 C ATOM 1051 CG1 VAL A 68 6.164 -1.234 -0.175 1.00 0.00 C ATOM 1052 CG2 VAL A 68 6.347 -2.192 -2.483 1.00 0.00 C ATOM 0 H VAL A 68 7.488 -2.855 1.454 1.00 0.00 H new ATOM 0 HA VAL A 68 7.708 -4.148 -1.190 1.00 0.00 H new ATOM 0 HB VAL A 68 5.530 -3.171 -0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.238 -0.746 -0.480 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.110 -1.487 0.884 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.002 -0.558 -0.344 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.420 -1.678 -2.738 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.196 -1.555 -2.730 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.414 -3.121 -3.049 1.00 0.00 H new ATOM 1062 N ALA A 69 9.626 -2.756 -1.927 1.00 0.00 N ATOM 1063 CA ALA A 69 10.830 -2.042 -2.310 1.00 0.00 C ATOM 1064 C ALA A 69 10.633 -1.322 -3.635 1.00 0.00 C ATOM 1065 O ALA A 69 10.532 -1.953 -4.690 1.00 0.00 O ATOM 1066 CB ALA A 69 12.009 -3.001 -2.394 1.00 0.00 C ATOM 0 H ALA A 69 9.412 -3.564 -2.512 1.00 0.00 H new ATOM 0 HA ALA A 69 11.043 -1.294 -1.546 1.00 0.00 H new ATOM 0 HB1 ALA A 69 12.905 -2.452 -2.682 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.167 -3.469 -1.422 1.00 0.00 H new ATOM 0 HB3 ALA A 69 11.800 -3.770 -3.138 1.00 0.00 H new ATOM 1072 N SER A 70 10.562 -0.005 -3.573 1.00 0.00 N ATOM 1073 CA SER A 70 10.406 0.809 -4.764 1.00 0.00 C ATOM 1074 C SER A 70 11.771 1.117 -5.378 1.00 0.00 C ATOM 1075 O SER A 70 12.591 1.809 -4.769 1.00 0.00 O ATOM 1076 CB SER A 70 9.679 2.105 -4.410 1.00 0.00 C ATOM 1077 OG SER A 70 8.495 1.839 -3.677 1.00 0.00 O ATOM 0 H SER A 70 10.610 0.527 -2.704 1.00 0.00 H new ATOM 0 HA SER A 70 9.815 0.259 -5.496 1.00 0.00 H new ATOM 0 HB2 SER A 70 10.337 2.747 -3.824 1.00 0.00 H new ATOM 0 HB3 SER A 70 9.432 2.649 -5.322 1.00 0.00 H new ATOM 0 HG SER A 70 8.611 2.135 -2.750 1.00 0.00 H new ATOM 1083 N PRO A 71 12.026 0.615 -6.602 1.00 0.00 N ATOM 1084 CA PRO A 71 13.316 0.787 -7.289 1.00 0.00 C ATOM 1085 C PRO A 71 13.566 2.227 -7.738 1.00 0.00 C ATOM 1086 O PRO A 71 14.567 2.516 -8.395 1.00 0.00 O ATOM 1087 CB PRO A 71 13.200 -0.135 -8.505 1.00 0.00 C ATOM 1088 CG PRO A 71 11.738 -0.246 -8.757 1.00 0.00 C ATOM 1089 CD PRO A 71 11.078 -0.172 -7.408 1.00 0.00 C ATOM 0 HA PRO A 71 14.152 0.551 -6.631 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.720 0.281 -9.368 1.00 0.00 H new ATOM 0 HB3 PRO A 71 13.643 -1.111 -8.306 1.00 0.00 H new ATOM 0 HG2 PRO A 71 11.392 0.559 -9.405 1.00 0.00 H new ATOM 0 HG3 PRO A 71 11.498 -1.184 -9.258 1.00 0.00 H new ATOM 0 HD2 PRO A 71 10.103 0.311 -7.465 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.918 -1.164 -6.985 1.00 0.00 H new ATOM 1097 N LEU A 72 12.642 3.118 -7.389 1.00 0.00 N ATOM 1098 CA LEU A 72 12.787 4.538 -7.681 1.00 0.00 C ATOM 1099 C LEU A 72 14.026 5.088 -6.979 1.00 0.00 C ATOM 1100 O LEU A 72 14.931 5.615 -7.621 1.00 0.00 O ATOM 1101 CB LEU A 72 11.535 5.321 -7.243 1.00 0.00 C ATOM 1102 CG LEU A 72 10.267 5.097 -8.087 1.00 0.00 C ATOM 1103 CD1 LEU A 72 9.702 3.700 -7.885 1.00 0.00 C ATOM 1104 CD2 LEU A 72 9.213 6.141 -7.750 1.00 0.00 C ATOM 0 H LEU A 72 11.780 2.878 -6.900 1.00 0.00 H new ATOM 0 HA LEU A 72 12.902 4.659 -8.758 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.310 5.058 -6.209 1.00 0.00 H new ATOM 0 HB3 LEU A 72 11.773 6.385 -7.257 1.00 0.00 H new ATOM 0 HG LEU A 72 10.547 5.198 -9.136 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.808 3.577 -8.496 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.447 2.960 -8.179 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.446 3.559 -6.835 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.323 5.968 -8.355 1.00 0.00 H new ATOM 0 HD22 LEU A 72 8.953 6.068 -6.694 1.00 0.00 H new ATOM 0 HD23 LEU A 72 9.606 7.136 -7.959 1.00 0.00 H new ATOM 1116 N LYS A 73 14.064 4.946 -5.658 1.00 0.00 N ATOM 1117 CA LYS A 73 15.226 5.354 -4.872 1.00 0.00 C ATOM 1118 C LYS A 73 15.489 4.368 -3.738 1.00 0.00 C ATOM 1119 O LYS A 73 16.022 4.738 -2.693 1.00 0.00 O ATOM 1120 CB LYS A 73 15.046 6.774 -4.319 1.00 0.00 C ATOM 1121 CG LYS A 73 15.431 7.862 -5.312 1.00 0.00 C ATOM 1122 CD LYS A 73 16.894 7.738 -5.717 1.00 0.00 C ATOM 1123 CE LYS A 73 17.274 8.747 -6.790 1.00 0.00 C ATOM 1124 NZ LYS A 73 17.225 10.148 -6.295 1.00 0.00 N ATOM 0 H LYS A 73 13.302 4.551 -5.107 1.00 0.00 H new ATOM 0 HA LYS A 73 16.092 5.354 -5.534 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.006 6.912 -4.025 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.649 6.884 -3.418 1.00 0.00 H new ATOM 0 HG2 LYS A 73 14.798 7.793 -6.197 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.254 8.842 -4.870 1.00 0.00 H new ATOM 0 HD2 LYS A 73 17.527 7.884 -4.841 1.00 0.00 H new ATOM 0 HD3 LYS A 73 17.085 6.729 -6.083 1.00 0.00 H new ATOM 0 HE2 LYS A 73 18.279 8.527 -7.152 1.00 0.00 H new ATOM 0 HE3 LYS A 73 16.599 8.641 -7.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 17.475 10.798 -7.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 16.265 10.364 -5.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 17.900 10.264 -5.513 1.00 0.00 H new ATOM 1138 N LYS A 74 15.107 3.109 -3.965 1.00 0.00 N ATOM 1139 CA LYS A 74 15.400 2.012 -3.036 1.00 0.00 C ATOM 1140 C LYS A 74 14.707 2.202 -1.691 1.00 0.00 C ATOM 1141 O LYS A 74 15.220 1.780 -0.653 1.00 0.00 O ATOM 1142 CB LYS A 74 16.910 1.876 -2.824 1.00 0.00 C ATOM 1143 CG LYS A 74 17.674 1.499 -4.082 1.00 0.00 C ATOM 1144 CD LYS A 74 19.153 1.308 -3.792 1.00 0.00 C ATOM 1145 CE LYS A 74 19.382 0.216 -2.757 1.00 0.00 C ATOM 1146 NZ LYS A 74 20.824 0.008 -2.473 1.00 0.00 N ATOM 0 H LYS A 74 14.588 2.821 -4.794 1.00 0.00 H new ATOM 0 HA LYS A 74 15.013 1.099 -3.487 1.00 0.00 H new ATOM 0 HB2 LYS A 74 17.300 2.819 -2.442 1.00 0.00 H new ATOM 0 HB3 LYS A 74 17.094 1.122 -2.059 1.00 0.00 H new ATOM 0 HG2 LYS A 74 17.261 0.581 -4.499 1.00 0.00 H new ATOM 0 HG3 LYS A 74 17.546 2.277 -4.835 1.00 0.00 H new ATOM 0 HD2 LYS A 74 19.676 1.052 -4.714 1.00 0.00 H new ATOM 0 HD3 LYS A 74 19.579 2.245 -3.434 1.00 0.00 H new ATOM 0 HE2 LYS A 74 18.866 0.478 -1.834 1.00 0.00 H new ATOM 0 HE3 LYS A 74 18.945 -0.717 -3.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 20.933 -0.744 -1.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 21.314 -0.268 -3.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 21.237 0.890 -2.109 1.00 0.00 H new ATOM 1160 N GLN A 75 13.534 2.814 -1.712 1.00 0.00 N ATOM 1161 CA GLN A 75 12.783 3.033 -0.487 1.00 0.00 C ATOM 1162 C GLN A 75 11.926 1.814 -0.169 1.00 0.00 C ATOM 1163 O GLN A 75 11.245 1.272 -1.042 1.00 0.00 O ATOM 1164 CB GLN A 75 11.925 4.295 -0.591 1.00 0.00 C ATOM 1165 CG GLN A 75 12.753 5.561 -0.757 1.00 0.00 C ATOM 1166 CD GLN A 75 11.949 6.840 -0.606 1.00 0.00 C ATOM 1167 OE1 GLN A 75 12.472 7.848 -0.139 1.00 0.00 O ATOM 1168 NE2 GLN A 75 10.683 6.816 -0.998 1.00 0.00 N ATOM 0 H GLN A 75 13.084 3.166 -2.557 1.00 0.00 H new ATOM 0 HA GLN A 75 13.489 3.179 0.330 1.00 0.00 H new ATOM 0 HB2 GLN A 75 11.245 4.198 -1.438 1.00 0.00 H new ATOM 0 HB3 GLN A 75 11.309 4.384 0.304 1.00 0.00 H new ATOM 0 HG2 GLN A 75 13.556 5.558 -0.020 1.00 0.00 H new ATOM 0 HG3 GLN A 75 13.222 5.551 -1.741 1.00 0.00 H new ATOM 0 HE21 GLN A 75 10.284 5.959 -1.381 1.00 0.00 H new ATOM 0 HE22 GLN A 75 10.108 7.654 -0.916 1.00 0.00 H new ATOM 1177 N ARG A 76 11.978 1.382 1.085 1.00 0.00 N ATOM 1178 CA ARG A 76 11.309 0.159 1.507 1.00 0.00 C ATOM 1179 C ARG A 76 10.265 0.467 2.573 1.00 0.00 C ATOM 1180 O ARG A 76 10.556 1.148 3.562 1.00 0.00 O ATOM 1181 CB ARG A 76 12.342 -0.834 2.045 1.00 0.00 C ATOM 1182 CG ARG A 76 13.535 -1.021 1.117 1.00 0.00 C ATOM 1183 CD ARG A 76 14.659 -1.786 1.790 1.00 0.00 C ATOM 1184 NE ARG A 76 15.916 -1.642 1.060 1.00 0.00 N ATOM 1185 CZ ARG A 76 16.987 -1.008 1.540 1.00 0.00 C ATOM 1186 NH1 ARG A 76 16.978 -0.513 2.773 1.00 0.00 N ATOM 1187 NH2 ARG A 76 18.076 -0.895 0.795 1.00 0.00 N ATOM 0 H ARG A 76 12.480 1.864 1.831 1.00 0.00 H new ATOM 0 HA ARG A 76 10.803 -0.284 0.649 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.696 -0.489 3.016 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.860 -1.798 2.205 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.218 -1.555 0.221 1.00 0.00 H new ATOM 0 HG3 ARG A 76 13.901 -0.046 0.795 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.786 -1.425 2.811 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.394 -2.841 1.856 1.00 0.00 H new ATOM 0 HE ARG A 76 15.979 -2.051 0.128 1.00 0.00 H new ATOM 0 HH11 ARG A 76 16.149 -0.617 3.358 1.00 0.00 H new ATOM 0 HH12 ARG A 76 17.800 -0.029 3.134 1.00 0.00 H new ATOM 0 HH21 ARG A 76 18.095 -1.292 -0.144 1.00 0.00 H new ATOM 0 HH22 ARG A 76 18.896 -0.411 1.160 1.00 0.00 H new ATOM 1201 N PHE A 77 9.053 -0.031 2.366 1.00 0.00 N ATOM 1202 CA PHE A 77 7.937 0.253 3.260 1.00 0.00 C ATOM 1203 C PHE A 77 7.295 -1.043 3.737 1.00 0.00 C ATOM 1204 O PHE A 77 7.108 -1.974 2.951 1.00 0.00 O ATOM 1205 CB PHE A 77 6.888 1.107 2.539 1.00 0.00 C ATOM 1206 CG PHE A 77 7.460 2.315 1.849 1.00 0.00 C ATOM 1207 CD1 PHE A 77 7.949 2.223 0.555 1.00 0.00 C ATOM 1208 CD2 PHE A 77 7.508 3.539 2.492 1.00 0.00 C ATOM 1209 CE1 PHE A 77 8.477 3.328 -0.082 1.00 0.00 C ATOM 1210 CE2 PHE A 77 8.034 4.648 1.860 1.00 0.00 C ATOM 1211 CZ PHE A 77 8.518 4.543 0.572 1.00 0.00 C ATOM 0 H PHE A 77 8.816 -0.638 1.581 1.00 0.00 H new ATOM 0 HA PHE A 77 8.318 0.800 4.122 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.373 0.489 1.803 1.00 0.00 H new ATOM 0 HB3 PHE A 77 6.139 1.433 3.261 1.00 0.00 H new ATOM 0 HD1 PHE A 77 7.916 1.275 0.039 1.00 0.00 H new ATOM 0 HD2 PHE A 77 7.130 3.628 3.500 1.00 0.00 H new ATOM 0 HE1 PHE A 77 8.857 3.242 -1.089 1.00 0.00 H new ATOM 0 HE2 PHE A 77 8.067 5.598 2.374 1.00 0.00 H new ATOM 0 HZ PHE A 77 8.928 5.410 0.076 1.00 0.00 H new ATOM 1221 N ARG A 78 6.975 -1.112 5.022 1.00 0.00 N ATOM 1222 CA ARG A 78 6.295 -2.273 5.576 1.00 0.00 C ATOM 1223 C ARG A 78 4.795 -2.145 5.344 1.00 0.00 C ATOM 1224 O ARG A 78 4.145 -1.263 5.898 1.00 0.00 O ATOM 1225 CB ARG A 78 6.606 -2.428 7.070 1.00 0.00 C ATOM 1226 CG ARG A 78 5.990 -3.672 7.694 1.00 0.00 C ATOM 1227 CD ARG A 78 6.576 -3.966 9.068 1.00 0.00 C ATOM 1228 NE ARG A 78 6.313 -2.901 10.038 1.00 0.00 N ATOM 1229 CZ ARG A 78 6.902 -2.828 11.234 1.00 0.00 C ATOM 1230 NH1 ARG A 78 7.771 -3.754 11.613 1.00 0.00 N ATOM 1231 NH2 ARG A 78 6.609 -1.839 12.063 1.00 0.00 N ATOM 0 H ARG A 78 7.176 -0.377 5.700 1.00 0.00 H new ATOM 0 HA ARG A 78 6.656 -3.169 5.070 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.687 -2.460 7.206 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.244 -1.548 7.601 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.912 -3.539 7.780 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.155 -4.527 7.038 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.161 -4.902 9.442 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.653 -4.109 8.976 1.00 0.00 H new ATOM 0 HE ARG A 78 5.643 -2.175 9.786 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.994 -4.530 10.989 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.217 -3.691 12.528 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.931 -1.128 11.789 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.062 -1.788 12.976 1.00 0.00 H new ATOM 1245 N LEU A 79 4.257 -3.037 4.522 1.00 0.00 N ATOM 1246 CA LEU A 79 2.863 -2.957 4.074 1.00 0.00 C ATOM 1247 C LEU A 79 1.871 -2.976 5.236 1.00 0.00 C ATOM 1248 O LEU A 79 0.786 -2.398 5.143 1.00 0.00 O ATOM 1249 CB LEU A 79 2.565 -4.118 3.125 1.00 0.00 C ATOM 1250 CG LEU A 79 3.415 -4.145 1.856 1.00 0.00 C ATOM 1251 CD1 LEU A 79 3.163 -5.422 1.074 1.00 0.00 C ATOM 1252 CD2 LEU A 79 3.126 -2.922 1.000 1.00 0.00 C ATOM 0 H LEU A 79 4.768 -3.835 4.145 1.00 0.00 H new ATOM 0 HA LEU A 79 2.740 -2.004 3.560 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.711 -5.055 3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.514 -4.075 2.840 1.00 0.00 H new ATOM 0 HG LEU A 79 4.467 -4.123 2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.777 -5.424 0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.421 -6.283 1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.110 -5.477 0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.739 -2.955 0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.072 -2.914 0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.359 -2.019 1.565 1.00 0.00 H new ATOM 1264 N SER A 80 2.251 -3.630 6.325 1.00 0.00 N ATOM 1265 CA SER A 80 1.364 -3.801 7.469 1.00 0.00 C ATOM 1266 C SER A 80 0.943 -2.454 8.064 1.00 0.00 C ATOM 1267 O SER A 80 -0.246 -2.142 8.130 1.00 0.00 O ATOM 1268 CB SER A 80 2.048 -4.661 8.538 1.00 0.00 C ATOM 1269 OG SER A 80 1.150 -5.001 9.582 1.00 0.00 O ATOM 0 H SER A 80 3.172 -4.053 6.441 1.00 0.00 H new ATOM 0 HA SER A 80 0.462 -4.305 7.121 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.438 -5.570 8.081 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.900 -4.121 8.951 1.00 0.00 H new ATOM 0 HG SER A 80 1.615 -5.551 10.247 1.00 0.00 H new ATOM 1275 N ASP A 81 1.916 -1.653 8.476 1.00 0.00 N ATOM 1276 CA ASP A 81 1.633 -0.403 9.176 1.00 0.00 C ATOM 1277 C ASP A 81 2.060 0.818 8.370 1.00 0.00 C ATOM 1278 O ASP A 81 1.679 1.941 8.688 1.00 0.00 O ATOM 1279 CB ASP A 81 2.321 -0.395 10.545 1.00 0.00 C ATOM 1280 CG ASP A 81 3.822 -0.627 10.476 1.00 0.00 C ATOM 1281 OD1 ASP A 81 4.338 -1.026 9.404 1.00 0.00 O ATOM 1282 OD2 ASP A 81 4.495 -0.440 11.510 1.00 0.00 O ATOM 0 H ASP A 81 2.908 -1.844 8.339 1.00 0.00 H new ATOM 0 HA ASP A 81 0.553 -0.345 9.310 1.00 0.00 H new ATOM 0 HB2 ASP A 81 2.132 0.562 11.031 1.00 0.00 H new ATOM 0 HB3 ASP A 81 1.872 -1.165 11.172 1.00 0.00 H new ATOM 1287 N GLY A 82 2.838 0.601 7.324 1.00 0.00 N ATOM 1288 CA GLY A 82 3.284 1.702 6.495 1.00 0.00 C ATOM 1289 C GLY A 82 4.593 2.286 6.981 1.00 0.00 C ATOM 1290 O GLY A 82 4.979 3.386 6.580 1.00 0.00 O ATOM 0 H GLY A 82 3.170 -0.318 7.032 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.400 1.358 5.467 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.521 2.481 6.486 1.00 0.00 H new ATOM 1294 N LEU A 83 5.272 1.546 7.848 1.00 0.00 N ATOM 1295 CA LEU A 83 6.547 1.985 8.391 1.00 0.00 C ATOM 1296 C LEU A 83 7.612 2.003 7.304 1.00 0.00 C ATOM 1297 O LEU A 83 7.760 1.037 6.551 1.00 0.00 O ATOM 1298 CB LEU A 83 7.003 1.056 9.515 1.00 0.00 C ATOM 1299 CG LEU A 83 8.274 1.500 10.238 1.00 0.00 C ATOM 1300 CD1 LEU A 83 7.941 2.499 11.334 1.00 0.00 C ATOM 1301 CD2 LEU A 83 9.025 0.301 10.795 1.00 0.00 C ATOM 0 H LEU A 83 4.959 0.637 8.190 1.00 0.00 H new ATOM 0 HA LEU A 83 6.411 2.992 8.786 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.198 0.970 10.245 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.166 0.061 9.101 1.00 0.00 H new ATOM 0 HG LEU A 83 8.926 1.994 9.518 1.00 0.00 H new ATOM 0 HD11 LEU A 83 8.858 2.805 11.839 1.00 0.00 H new ATOM 0 HD12 LEU A 83 7.459 3.373 10.896 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.267 2.037 12.055 1.00 0.00 H new ATOM 0 HD21 LEU A 83 9.926 0.641 11.305 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.388 -0.232 11.501 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.300 -0.367 9.979 1.00 0.00 H new ATOM 1313 N CYS A 84 8.346 3.097 7.218 1.00 0.00 N ATOM 1314 CA CYS A 84 9.476 3.169 6.314 1.00 0.00 C ATOM 1315 C CYS A 84 10.697 2.571 6.994 1.00 0.00 C ATOM 1316 O CYS A 84 10.916 2.795 8.179 1.00 0.00 O ATOM 1317 CB CYS A 84 9.749 4.616 5.912 1.00 0.00 C ATOM 1318 SG CYS A 84 8.356 5.426 5.101 1.00 0.00 S ATOM 0 H CYS A 84 8.180 3.944 7.761 1.00 0.00 H new ATOM 0 HA CYS A 84 9.250 2.604 5.410 1.00 0.00 H new ATOM 0 HB2 CYS A 84 10.019 5.185 6.802 1.00 0.00 H new ATOM 0 HB3 CYS A 84 10.610 4.641 5.244 1.00 0.00 H new ATOM 0 HG CYS A 84 8.189 4.919 3.916 1.00 0.00 H new ATOM 1324 N MET A 85 11.475 1.799 6.256 1.00 0.00 N ATOM 1325 CA MET A 85 12.624 1.107 6.828 1.00 0.00 C ATOM 1326 C MET A 85 13.631 2.085 7.433 1.00 0.00 C ATOM 1327 O MET A 85 13.960 1.992 8.614 1.00 0.00 O ATOM 1328 CB MET A 85 13.311 0.251 5.765 1.00 0.00 C ATOM 1329 CG MET A 85 14.362 -0.683 6.335 1.00 0.00 C ATOM 1330 SD MET A 85 15.123 -1.719 5.077 1.00 0.00 S ATOM 1331 CE MET A 85 16.178 -2.742 6.098 1.00 0.00 C ATOM 0 H MET A 85 11.335 1.633 5.259 1.00 0.00 H new ATOM 0 HA MET A 85 12.254 0.466 7.628 1.00 0.00 H new ATOM 0 HB2 MET A 85 12.558 -0.337 5.240 1.00 0.00 H new ATOM 0 HB3 MET A 85 13.777 0.904 5.027 1.00 0.00 H new ATOM 0 HG2 MET A 85 15.134 -0.095 6.832 1.00 0.00 H new ATOM 0 HG3 MET A 85 13.905 -1.317 7.095 1.00 0.00 H new ATOM 0 HE1 MET A 85 16.724 -3.444 5.468 1.00 0.00 H new ATOM 0 HE2 MET A 85 16.886 -2.111 6.636 1.00 0.00 H new ATOM 0 HE3 MET A 85 15.568 -3.294 6.813 1.00 0.00 H new ATOM 1341 N GLU A 86 14.105 3.024 6.628 1.00 0.00 N ATOM 1342 CA GLU A 86 15.145 3.952 7.064 1.00 0.00 C ATOM 1343 C GLU A 86 14.531 5.228 7.634 1.00 0.00 C ATOM 1344 O GLU A 86 15.166 5.967 8.385 1.00 0.00 O ATOM 1345 CB GLU A 86 16.050 4.307 5.882 1.00 0.00 C ATOM 1346 CG GLU A 86 16.506 3.103 5.073 1.00 0.00 C ATOM 1347 CD GLU A 86 17.387 2.158 5.861 1.00 0.00 C ATOM 1348 OE1 GLU A 86 16.855 1.368 6.667 1.00 0.00 O ATOM 1349 OE2 GLU A 86 18.621 2.196 5.671 1.00 0.00 O ATOM 0 H GLU A 86 13.788 3.166 5.669 1.00 0.00 H new ATOM 0 HA GLU A 86 15.731 3.468 7.845 1.00 0.00 H new ATOM 0 HB2 GLU A 86 15.519 4.995 5.224 1.00 0.00 H new ATOM 0 HB3 GLU A 86 16.927 4.836 6.255 1.00 0.00 H new ATOM 0 HG2 GLU A 86 15.631 2.561 4.715 1.00 0.00 H new ATOM 0 HG3 GLU A 86 17.049 3.448 4.193 1.00 0.00 H new ATOM 1356 N ASP A 87 13.282 5.461 7.272 1.00 0.00 N ATOM 1357 CA ASP A 87 12.594 6.707 7.577 1.00 0.00 C ATOM 1358 C ASP A 87 11.560 6.510 8.675 1.00 0.00 C ATOM 1359 O ASP A 87 10.728 7.379 8.915 1.00 0.00 O ATOM 1360 CB ASP A 87 11.945 7.276 6.316 1.00 0.00 C ATOM 1361 CG ASP A 87 12.966 7.485 5.215 1.00 0.00 C ATOM 1362 OD1 ASP A 87 13.848 8.352 5.378 1.00 0.00 O ATOM 1363 OD2 ASP A 87 12.915 6.753 4.204 1.00 0.00 O ATOM 0 H ASP A 87 12.713 4.790 6.756 1.00 0.00 H new ATOM 0 HA ASP A 87 13.331 7.422 7.942 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.166 6.598 5.968 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.461 8.224 6.550 1.00 0.00 H new ATOM 1368 N GLU A 88 11.619 5.333 9.299 1.00 0.00 N ATOM 1369 CA GLU A 88 10.664 4.866 10.320 1.00 0.00 C ATOM 1370 C GLU A 88 10.104 5.968 11.235 1.00 0.00 C ATOM 1371 O GLU A 88 8.925 5.934 11.588 1.00 0.00 O ATOM 1372 CB GLU A 88 11.332 3.783 11.173 1.00 0.00 C ATOM 1373 CG GLU A 88 12.660 4.210 11.793 1.00 0.00 C ATOM 1374 CD GLU A 88 13.294 3.118 12.633 1.00 0.00 C ATOM 1375 OE1 GLU A 88 12.873 2.941 13.794 1.00 0.00 O ATOM 1376 OE2 GLU A 88 14.222 2.444 12.145 1.00 0.00 O ATOM 0 H GLU A 88 12.354 4.653 9.106 1.00 0.00 H new ATOM 0 HA GLU A 88 9.806 4.477 9.773 1.00 0.00 H new ATOM 0 HB2 GLU A 88 10.649 3.490 11.970 1.00 0.00 H new ATOM 0 HB3 GLU A 88 11.499 2.900 10.556 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.350 4.499 11.000 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.499 5.092 12.413 1.00 0.00 H new ATOM 1383 N GLN A 89 10.939 6.928 11.622 1.00 0.00 N ATOM 1384 CA GLN A 89 10.515 8.005 12.522 1.00 0.00 C ATOM 1385 C GLN A 89 9.374 8.834 11.923 1.00 0.00 C ATOM 1386 O GLN A 89 8.569 9.415 12.653 1.00 0.00 O ATOM 1387 CB GLN A 89 11.702 8.909 12.857 1.00 0.00 C ATOM 1388 CG GLN A 89 12.445 9.419 11.635 1.00 0.00 C ATOM 1389 CD GLN A 89 13.548 10.394 11.985 1.00 0.00 C ATOM 1390 OE1 GLN A 89 13.457 11.130 12.968 1.00 0.00 O ATOM 1391 NE2 GLN A 89 14.597 10.410 11.183 1.00 0.00 N ATOM 0 H GLN A 89 11.914 6.985 11.328 1.00 0.00 H new ATOM 0 HA GLN A 89 10.142 7.543 13.436 1.00 0.00 H new ATOM 0 HB2 GLN A 89 11.346 9.761 13.437 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.398 8.360 13.491 1.00 0.00 H new ATOM 0 HG2 GLN A 89 12.871 8.573 11.095 1.00 0.00 H new ATOM 0 HG3 GLN A 89 11.738 9.903 10.961 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.634 9.784 10.379 1.00 0.00 H new ATOM 0 HE22 GLN A 89 15.371 11.049 11.368 1.00 0.00 H new ATOM 1400 N PHE A 90 9.313 8.889 10.600 1.00 0.00 N ATOM 1401 CA PHE A 90 8.250 9.604 9.906 1.00 0.00 C ATOM 1402 C PHE A 90 7.276 8.617 9.276 1.00 0.00 C ATOM 1403 O PHE A 90 6.098 8.584 9.631 1.00 0.00 O ATOM 1404 CB PHE A 90 8.822 10.516 8.815 1.00 0.00 C ATOM 1405 CG PHE A 90 9.663 11.646 9.339 1.00 0.00 C ATOM 1406 CD1 PHE A 90 9.070 12.776 9.877 1.00 0.00 C ATOM 1407 CD2 PHE A 90 11.046 11.578 9.290 1.00 0.00 C ATOM 1408 CE1 PHE A 90 9.842 13.818 10.357 1.00 0.00 C ATOM 1409 CE2 PHE A 90 11.823 12.616 9.769 1.00 0.00 C ATOM 1410 CZ PHE A 90 11.220 13.738 10.304 1.00 0.00 C ATOM 0 H PHE A 90 9.992 8.444 9.982 1.00 0.00 H new ATOM 0 HA PHE A 90 7.727 10.218 10.639 1.00 0.00 H new ATOM 0 HB2 PHE A 90 9.424 9.915 8.133 1.00 0.00 H new ATOM 0 HB3 PHE A 90 7.998 10.930 8.233 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.993 12.844 9.922 1.00 0.00 H new ATOM 0 HD2 PHE A 90 11.523 10.703 8.873 1.00 0.00 H new ATOM 0 HE1 PHE A 90 9.368 14.694 10.773 1.00 0.00 H new ATOM 0 HE2 PHE A 90 12.900 12.550 9.725 1.00 0.00 H new ATOM 0 HZ PHE A 90 11.824 14.550 10.680 1.00 0.00 H new ATOM 1420 N SER A 91 7.796 7.808 8.352 1.00 0.00 N ATOM 1421 CA SER A 91 6.996 6.838 7.610 1.00 0.00 C ATOM 1422 C SER A 91 5.939 7.530 6.741 1.00 0.00 C ATOM 1423 O SER A 91 5.947 8.754 6.585 1.00 0.00 O ATOM 1424 CB SER A 91 6.353 5.835 8.570 1.00 0.00 C ATOM 1425 OG SER A 91 7.350 5.109 9.276 1.00 0.00 O ATOM 0 H SER A 91 8.784 7.808 8.098 1.00 0.00 H new ATOM 0 HA SER A 91 7.660 6.294 6.938 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.709 6.360 9.276 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.719 5.145 8.013 1.00 0.00 H new ATOM 0 HG SER A 91 7.699 5.659 10.008 1.00 0.00 H new ATOM 1431 N VAL A 92 5.056 6.739 6.146 1.00 0.00 N ATOM 1432 CA VAL A 92 4.004 7.280 5.299 1.00 0.00 C ATOM 1433 C VAL A 92 2.650 7.132 5.977 1.00 0.00 C ATOM 1434 O VAL A 92 2.549 6.553 7.060 1.00 0.00 O ATOM 1435 CB VAL A 92 3.964 6.596 3.914 1.00 0.00 C ATOM 1436 CG1 VAL A 92 5.254 6.856 3.153 1.00 0.00 C ATOM 1437 CG2 VAL A 92 3.712 5.098 4.047 1.00 0.00 C ATOM 0 H VAL A 92 5.048 5.723 6.235 1.00 0.00 H new ATOM 0 HA VAL A 92 4.227 8.336 5.147 1.00 0.00 H new ATOM 0 HB VAL A 92 3.136 7.026 3.350 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.207 6.367 2.180 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.384 7.929 3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.097 6.459 3.719 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.689 4.644 3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.510 4.646 4.635 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.756 4.933 4.544 1.00 0.00 H new ATOM 1447 N LYS A 93 1.611 7.652 5.344 1.00 0.00 N ATOM 1448 CA LYS A 93 0.273 7.567 5.901 1.00 0.00 C ATOM 1449 C LYS A 93 -0.400 6.282 5.437 1.00 0.00 C ATOM 1450 O LYS A 93 -0.675 6.104 4.250 1.00 0.00 O ATOM 1451 CB LYS A 93 -0.557 8.789 5.498 1.00 0.00 C ATOM 1452 CG LYS A 93 -1.888 8.882 6.224 1.00 0.00 C ATOM 1453 CD LYS A 93 -2.610 10.181 5.904 1.00 0.00 C ATOM 1454 CE LYS A 93 -3.925 10.288 6.659 1.00 0.00 C ATOM 1455 NZ LYS A 93 -3.731 10.246 8.133 1.00 0.00 N ATOM 0 H LYS A 93 1.669 8.135 4.448 1.00 0.00 H new ATOM 0 HA LYS A 93 0.344 7.552 6.989 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.020 9.692 5.696 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.739 8.757 4.424 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.516 8.037 5.943 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.722 8.812 7.299 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.972 11.026 6.161 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.799 10.239 4.832 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.424 11.218 6.386 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.583 9.473 6.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.598 10.572 8.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.521 9.271 8.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.939 10.866 8.397 1.00 0.00 H new ATOM 1469 N HIS A 94 -0.634 5.381 6.377 1.00 0.00 N ATOM 1470 CA HIS A 94 -1.245 4.098 6.071 1.00 0.00 C ATOM 1471 C HIS A 94 -2.761 4.227 6.061 1.00 0.00 C ATOM 1472 O HIS A 94 -3.342 4.840 6.955 1.00 0.00 O ATOM 1473 CB HIS A 94 -0.818 3.053 7.104 1.00 0.00 C ATOM 1474 CG HIS A 94 -1.174 1.643 6.734 1.00 0.00 C ATOM 1475 ND1 HIS A 94 -2.304 1.000 7.193 1.00 0.00 N ATOM 1476 CD2 HIS A 94 -0.528 0.745 5.954 1.00 0.00 C ATOM 1477 CE1 HIS A 94 -2.333 -0.229 6.714 1.00 0.00 C ATOM 1478 NE2 HIS A 94 -1.265 -0.413 5.956 1.00 0.00 N ATOM 0 H HIS A 94 -0.409 5.516 7.363 1.00 0.00 H new ATOM 0 HA HIS A 94 -0.911 3.778 5.084 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.261 3.118 7.246 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.281 3.294 8.061 1.00 0.00 H new ATOM 0 HD2 HIS A 94 0.399 0.910 5.426 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.101 -0.963 6.909 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -1.029 -1.271 5.457 1.00 0.00 H new ATOM 1487 N TYR A 95 -3.389 3.660 5.048 1.00 0.00 N ATOM 1488 CA TYR A 95 -4.838 3.667 4.958 1.00 0.00 C ATOM 1489 C TYR A 95 -5.363 2.271 5.245 1.00 0.00 C ATOM 1490 O TYR A 95 -4.728 1.276 4.884 1.00 0.00 O ATOM 1491 CB TYR A 95 -5.290 4.143 3.575 1.00 0.00 C ATOM 1492 CG TYR A 95 -4.776 5.520 3.219 1.00 0.00 C ATOM 1493 CD1 TYR A 95 -5.463 6.663 3.610 1.00 0.00 C ATOM 1494 CD2 TYR A 95 -3.598 5.677 2.499 1.00 0.00 C ATOM 1495 CE1 TYR A 95 -4.990 7.921 3.294 1.00 0.00 C ATOM 1496 CE2 TYR A 95 -3.120 6.934 2.180 1.00 0.00 C ATOM 1497 CZ TYR A 95 -3.820 8.050 2.580 1.00 0.00 C ATOM 1498 OH TYR A 95 -3.346 9.302 2.266 1.00 0.00 O ATOM 0 H TYR A 95 -2.919 3.188 4.275 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.242 4.360 5.696 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.950 3.430 2.824 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -6.379 4.149 3.538 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -6.381 6.566 4.170 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.047 4.803 2.184 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -5.535 8.800 3.605 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -2.203 7.040 1.620 1.00 0.00 H new ATOM 0 HH TYR A 95 -2.510 9.218 1.761 1.00 0.00 H new ATOM 1508 N GLU A 96 -6.506 2.198 5.904 1.00 0.00 N ATOM 1509 CA GLU A 96 -7.047 0.916 6.321 1.00 0.00 C ATOM 1510 C GLU A 96 -7.798 0.273 5.164 1.00 0.00 C ATOM 1511 O GLU A 96 -8.689 0.887 4.577 1.00 0.00 O ATOM 1512 CB GLU A 96 -7.962 1.096 7.533 1.00 0.00 C ATOM 1513 CG GLU A 96 -8.192 -0.185 8.319 1.00 0.00 C ATOM 1514 CD GLU A 96 -8.942 0.056 9.610 1.00 0.00 C ATOM 1515 OE1 GLU A 96 -8.370 0.679 10.527 1.00 0.00 O ATOM 1516 OE2 GLU A 96 -10.109 -0.365 9.716 1.00 0.00 O ATOM 0 H GLU A 96 -7.074 3.005 6.161 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.228 0.258 6.611 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -7.530 1.846 8.195 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -8.924 1.484 7.197 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -8.751 -0.890 7.704 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.231 -0.649 8.542 1.00 0.00 H new ATOM 1523 N ALA A 97 -7.426 -0.952 4.827 1.00 0.00 N ATOM 1524 CA ALA A 97 -7.993 -1.628 3.672 1.00 0.00 C ATOM 1525 C ALA A 97 -8.862 -2.803 4.091 1.00 0.00 C ATOM 1526 O ALA A 97 -8.522 -3.542 5.015 1.00 0.00 O ATOM 1527 CB ALA A 97 -6.883 -2.097 2.745 1.00 0.00 C ATOM 0 H ALA A 97 -6.733 -1.499 5.338 1.00 0.00 H new ATOM 0 HA ALA A 97 -8.626 -0.917 3.141 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -7.318 -2.602 1.883 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.303 -1.238 2.408 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.231 -2.788 3.279 1.00 0.00 H new ATOM 1533 N ARG A 98 -9.984 -2.968 3.407 1.00 0.00 N ATOM 1534 CA ARG A 98 -10.890 -4.075 3.674 1.00 0.00 C ATOM 1535 C ARG A 98 -11.521 -4.559 2.379 1.00 0.00 C ATOM 1536 O ARG A 98 -11.926 -3.758 1.541 1.00 0.00 O ATOM 1537 CB ARG A 98 -11.993 -3.651 4.647 1.00 0.00 C ATOM 1538 CG ARG A 98 -12.902 -4.791 5.067 1.00 0.00 C ATOM 1539 CD ARG A 98 -14.080 -4.305 5.895 1.00 0.00 C ATOM 1540 NE ARG A 98 -15.099 -3.645 5.076 1.00 0.00 N ATOM 1541 CZ ARG A 98 -16.398 -3.941 5.133 1.00 0.00 C ATOM 1542 NH1 ARG A 98 -16.830 -4.905 5.935 1.00 0.00 N ATOM 1543 NH2 ARG A 98 -17.266 -3.284 4.378 1.00 0.00 N ATOM 0 H ARG A 98 -10.290 -2.346 2.659 1.00 0.00 H new ATOM 0 HA ARG A 98 -10.313 -4.883 4.124 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -11.535 -3.216 5.535 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -12.595 -2.869 4.183 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -13.270 -5.306 4.180 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.329 -5.518 5.643 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -14.528 -5.150 6.417 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -13.724 -3.612 6.657 1.00 0.00 H new ATOM 0 HE ARG A 98 -14.798 -2.919 4.426 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -16.168 -5.424 6.512 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -17.825 -5.128 5.975 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -16.942 -2.549 3.750 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -18.259 -3.514 4.425 1.00 0.00 H new ATOM 1557 N VAL A 99 -11.603 -5.867 2.217 1.00 0.00 N ATOM 1558 CA VAL A 99 -12.230 -6.442 1.040 1.00 0.00 C ATOM 1559 C VAL A 99 -13.671 -6.838 1.349 1.00 0.00 C ATOM 1560 O VAL A 99 -13.933 -7.831 2.030 1.00 0.00 O ATOM 1561 CB VAL A 99 -11.435 -7.652 0.509 1.00 0.00 C ATOM 1562 CG1 VAL A 99 -12.125 -8.271 -0.697 1.00 0.00 C ATOM 1563 CG2 VAL A 99 -10.023 -7.222 0.148 1.00 0.00 C ATOM 0 H VAL A 99 -11.244 -6.550 2.884 1.00 0.00 H new ATOM 0 HA VAL A 99 -12.233 -5.683 0.257 1.00 0.00 H new ATOM 0 HB VAL A 99 -11.389 -8.407 1.293 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -11.544 -9.122 -1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -13.123 -8.606 -0.413 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -12.204 -7.529 -1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -9.466 -8.081 -0.227 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -10.063 -6.451 -0.622 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -9.526 -6.825 1.033 1.00 0.00 H new ATOM 1573 N LYS A 100 -14.596 -6.035 0.856 1.00 0.00 N ATOM 1574 CA LYS A 100 -16.015 -6.229 1.100 1.00 0.00 C ATOM 1575 C LYS A 100 -16.661 -6.974 -0.048 1.00 0.00 C ATOM 1576 O LYS A 100 -16.828 -6.416 -1.130 1.00 0.00 O ATOM 1577 CB LYS A 100 -16.694 -4.875 1.274 1.00 0.00 C ATOM 1578 CG LYS A 100 -18.214 -4.938 1.296 1.00 0.00 C ATOM 1579 CD LYS A 100 -18.820 -3.565 1.517 1.00 0.00 C ATOM 1580 CE LYS A 100 -20.299 -3.545 1.187 1.00 0.00 C ATOM 1581 NZ LYS A 100 -20.936 -2.262 1.583 1.00 0.00 N ATOM 0 H LYS A 100 -14.384 -5.226 0.272 1.00 0.00 H new ATOM 0 HA LYS A 100 -16.132 -6.821 2.008 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -16.347 -4.424 2.203 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -16.380 -4.217 0.464 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -18.577 -5.350 0.354 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -18.541 -5.613 2.087 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -18.675 -3.266 2.555 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -18.299 -2.834 0.899 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -20.435 -3.703 0.117 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -20.796 -4.370 1.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -21.947 -2.287 1.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -20.829 -2.123 2.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -20.479 -1.477 1.077 1.00 0.00 H new ATOM 1595 N ASP A 101 -16.994 -8.241 0.184 1.00 0.00 N ATOM 1596 CA ASP A 101 -17.698 -9.054 -0.811 1.00 0.00 C ATOM 1597 C ASP A 101 -16.861 -9.178 -2.090 1.00 0.00 C ATOM 1598 O ASP A 101 -17.365 -9.502 -3.165 1.00 0.00 O ATOM 1599 CB ASP A 101 -19.075 -8.432 -1.106 1.00 0.00 C ATOM 1600 CG ASP A 101 -19.954 -9.301 -1.984 1.00 0.00 C ATOM 1601 OD1 ASP A 101 -20.308 -10.421 -1.558 1.00 0.00 O ATOM 1602 OD2 ASP A 101 -20.312 -8.857 -3.097 1.00 0.00 O ATOM 0 H ASP A 101 -16.788 -8.731 1.055 1.00 0.00 H new ATOM 0 HA ASP A 101 -17.849 -10.058 -0.415 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -19.589 -8.243 -0.164 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -18.933 -7.466 -1.590 1.00 0.00 H new ATOM 1607 N GLY A 102 -15.563 -8.935 -1.955 1.00 0.00 N ATOM 1608 CA GLY A 102 -14.673 -8.989 -3.094 1.00 0.00 C ATOM 1609 C GLY A 102 -14.313 -7.612 -3.620 1.00 0.00 C ATOM 1610 O GLY A 102 -13.602 -7.492 -4.615 1.00 0.00 O ATOM 0 H GLY A 102 -15.111 -8.700 -1.071 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.761 -9.516 -2.813 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -15.143 -9.566 -3.890 1.00 0.00 H new ATOM 1614 N VAL A 103 -14.795 -6.567 -2.959 1.00 0.00 N ATOM 1615 CA VAL A 103 -14.507 -5.205 -3.389 1.00 0.00 C ATOM 1616 C VAL A 103 -13.539 -4.541 -2.414 1.00 0.00 C ATOM 1617 O VAL A 103 -13.764 -4.555 -1.205 1.00 0.00 O ATOM 1618 CB VAL A 103 -15.794 -4.357 -3.488 1.00 0.00 C ATOM 1619 CG1 VAL A 103 -15.493 -2.979 -4.053 1.00 0.00 C ATOM 1620 CG2 VAL A 103 -16.837 -5.059 -4.340 1.00 0.00 C ATOM 0 H VAL A 103 -15.383 -6.635 -2.129 1.00 0.00 H new ATOM 0 HA VAL A 103 -14.055 -5.261 -4.379 1.00 0.00 H new ATOM 0 HB VAL A 103 -16.193 -4.236 -2.481 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.415 -2.401 -4.113 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -14.785 -2.466 -3.403 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -15.063 -3.080 -5.049 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -17.735 -4.444 -4.396 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -16.441 -5.216 -5.343 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -17.084 -6.022 -3.893 1.00 0.00 H new ATOM 1630 N VAL A 104 -12.465 -3.968 -2.938 1.00 0.00 N ATOM 1631 CA VAL A 104 -11.461 -3.324 -2.099 1.00 0.00 C ATOM 1632 C VAL A 104 -11.951 -1.961 -1.633 1.00 0.00 C ATOM 1633 O VAL A 104 -12.188 -1.073 -2.448 1.00 0.00 O ATOM 1634 CB VAL A 104 -10.123 -3.130 -2.846 1.00 0.00 C ATOM 1635 CG1 VAL A 104 -9.051 -2.609 -1.899 1.00 0.00 C ATOM 1636 CG2 VAL A 104 -9.677 -4.428 -3.504 1.00 0.00 C ATOM 0 H VAL A 104 -12.265 -3.935 -3.938 1.00 0.00 H new ATOM 0 HA VAL A 104 -11.297 -3.982 -1.245 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.276 -2.389 -3.631 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -8.116 -2.479 -2.444 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.366 -1.651 -1.485 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -8.903 -3.323 -1.089 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.733 -4.267 -4.024 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -9.545 -5.196 -2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.434 -4.752 -4.218 1.00 0.00 H new ATOM 1646 N GLN A 105 -12.113 -1.801 -0.331 1.00 0.00 N ATOM 1647 CA GLN A 105 -12.496 -0.516 0.229 1.00 0.00 C ATOM 1648 C GLN A 105 -11.365 0.036 1.076 1.00 0.00 C ATOM 1649 O GLN A 105 -10.632 -0.723 1.715 1.00 0.00 O ATOM 1650 CB GLN A 105 -13.752 -0.625 1.091 1.00 0.00 C ATOM 1651 CG GLN A 105 -14.853 -1.477 0.496 1.00 0.00 C ATOM 1652 CD GLN A 105 -16.188 -1.218 1.159 1.00 0.00 C ATOM 1653 OE1 GLN A 105 -16.494 -1.783 2.209 1.00 0.00 O ATOM 1654 NE2 GLN A 105 -17.004 -0.386 0.533 1.00 0.00 N ATOM 0 H GLN A 105 -11.986 -2.543 0.357 1.00 0.00 H new ATOM 0 HA GLN A 105 -12.707 0.153 -0.605 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -13.476 -1.037 2.062 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -14.142 0.377 1.270 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -14.933 -1.273 -0.572 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -14.594 -2.530 0.601 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -16.709 0.061 -0.335 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -17.928 -0.191 0.919 1.00 0.00 H new ATOM 1663 N LEU A 106 -11.226 1.350 1.080 1.00 0.00 N ATOM 1664 CA LEU A 106 -10.194 2.005 1.867 1.00 0.00 C ATOM 1665 C LEU A 106 -10.812 3.011 2.833 1.00 0.00 C ATOM 1666 O LEU A 106 -11.702 3.781 2.461 1.00 0.00 O ATOM 1667 CB LEU A 106 -9.192 2.717 0.957 1.00 0.00 C ATOM 1668 CG LEU A 106 -8.488 1.833 -0.074 1.00 0.00 C ATOM 1669 CD1 LEU A 106 -7.531 2.662 -0.914 1.00 0.00 C ATOM 1670 CD2 LEU A 106 -7.743 0.699 0.610 1.00 0.00 C ATOM 0 H LEU A 106 -11.817 1.987 0.545 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.671 1.238 2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -9.713 3.516 0.429 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -8.434 3.189 1.582 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.244 1.401 -0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.037 2.020 -1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.086 3.442 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.782 3.119 -0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.250 0.082 -0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -6.996 1.111 1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.448 0.089 1.174 1.00 0.00 H new ATOM 1682 N ARG A 107 -10.344 2.990 4.072 1.00 0.00 N ATOM 1683 CA ARG A 107 -10.793 3.935 5.082 1.00 0.00 C ATOM 1684 C ARG A 107 -9.703 4.957 5.371 1.00 0.00 C ATOM 1685 O ARG A 107 -8.611 4.608 5.832 1.00 0.00 O ATOM 1686 CB ARG A 107 -11.187 3.214 6.375 1.00 0.00 C ATOM 1687 CG ARG A 107 -11.583 4.154 7.496 1.00 0.00 C ATOM 1688 CD ARG A 107 -11.999 3.394 8.743 1.00 0.00 C ATOM 1689 NE ARG A 107 -10.864 2.922 9.532 1.00 0.00 N ATOM 1690 CZ ARG A 107 -10.609 3.344 10.773 1.00 0.00 C ATOM 1691 NH1 ARG A 107 -11.366 4.289 11.330 1.00 0.00 N ATOM 1692 NH2 ARG A 107 -9.602 2.819 11.458 1.00 0.00 N ATOM 0 H ARG A 107 -9.648 2.323 4.403 1.00 0.00 H new ATOM 0 HA ARG A 107 -11.672 4.449 4.693 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -12.018 2.540 6.167 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -10.352 2.598 6.707 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -10.747 4.812 7.732 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -12.405 4.789 7.165 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -12.622 4.039 9.363 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -12.612 2.541 8.453 1.00 0.00 H new ATOM 0 HE ARG A 107 -10.235 2.236 9.114 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -12.144 4.693 10.808 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -11.168 4.608 12.278 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -9.022 2.093 11.037 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.407 3.141 12.406 1.00 0.00 H new ATOM 1706 N GLY A 108 -10.002 6.209 5.077 1.00 0.00 N ATOM 1707 CA GLY A 108 -9.084 7.288 5.365 1.00 0.00 C ATOM 1708 C GLY A 108 -9.820 8.534 5.813 1.00 0.00 C ATOM 1709 O GLY A 108 -10.891 8.437 6.414 1.00 0.00 O ATOM 0 H GLY A 108 -10.875 6.501 4.638 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -8.386 6.976 6.142 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -8.493 7.512 4.477 1.00 0.00 H new