USER MOD reduce.3.24.130724 H: found=0, std=0, add=922, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 922 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 GLN : amide:sc= -1.4 X(o=-0.76,f=-0.67) USER MOD Set 1.2: A 44 GLN : amide:sc= 0.64 X(o=-0.76,f=-0.96) USER MOD Set 2.1: A 29 ASN : amide:sc= -0.992 K(o=-1.4,f=-6.1!) USER MOD Set 2.2: A 30 ASN : amide:sc= -0.399 X(o=-1.4,f=-1.1) USER MOD Single : A 9 HIS : no HD1:sc= -0.684 X(o=-0.68,f=-0.48) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -161:sc= -0.0297 (180deg=-0.335) USER MOD Single : A 31 MET CE :methyl -115:sc= -5.68! (180deg=-15.6!) USER MOD Single : A 34 TYR OH : rot -28:sc= 0.36 USER MOD Single : A 36 GLN : amide:sc= -4.35! C(o=-4.3!,f=-8.4!) USER MOD Single : A 38 THR OG1 : rot 85:sc= 0.32 USER MOD Single : A 39 CYS SG : rot 160:sc= -3.54! USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.243 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 166:sc= -2.59! USER MOD Single : A 47 ASN : amide:sc= -0.0719 X(o=-0.072,f=-0.42) USER MOD Single : A 52 MET CE :methyl -114:sc= -0.307 (180deg=-2.34!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 55 THR OG1 : rot 57:sc= 0.0917 USER MOD Single : A 59 ASN : amide:sc= -1.41 K(o=-1.4,f=-0.55) USER MOD Single : A 61 THR OG1 : rot 17:sc= -0.413 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.114 USER MOD Single : A 70 THR OG1 : rot -150:sc= -1.41 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 24:sc= 0.069 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= 0.0363! C(o=0.036!,f=-6.9!) USER MOD Single : A 114 LYS NZ :NH3+ -170:sc= -0.395 (180deg=-0.498) USER MOD Single : A 118 TYR OH : rot -62:sc= 0.00599 USER MOD Single : A 119 LYS NZ :NH3+ -133:sc= -0.108 (180deg=-0.944) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00482) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -9.382 20.035 -2.722 1.00 0.00 N ATOM 60 CA GLY A 7 -8.254 19.217 -2.310 1.00 0.00 C ATOM 61 C GLY A 7 -7.060 19.420 -3.245 1.00 0.00 C ATOM 62 O GLY A 7 -7.047 20.352 -4.048 1.00 0.00 O ATOM 0 HA2 GLY A 7 -7.969 19.472 -1.289 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.544 18.166 -2.307 1.00 0.00 H new ATOM 66 N PRO A 8 -6.060 18.509 -3.107 1.00 0.00 N ATOM 67 CA PRO A 8 -4.865 18.579 -3.930 1.00 0.00 C ATOM 68 C PRO A 8 -5.151 18.100 -5.355 1.00 0.00 C ATOM 69 O PRO A 8 -6.303 17.866 -5.715 1.00 0.00 O ATOM 70 CB PRO A 8 -3.840 17.718 -3.209 1.00 0.00 C ATOM 71 CG PRO A 8 -4.632 16.829 -2.265 1.00 0.00 C ATOM 72 CD PRO A 8 -6.041 17.391 -2.167 1.00 0.00 C ATOM 0 HA PRO A 8 -4.497 19.598 -4.050 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.264 17.121 -3.917 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.129 18.335 -2.660 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.655 15.804 -2.635 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.162 16.802 -1.282 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.786 16.640 -2.430 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.266 17.722 -1.153 1.00 0.00 H new ATOM 80 N HIS A 9 -4.082 17.969 -6.127 1.00 0.00 N ATOM 81 CA HIS A 9 -4.204 17.522 -7.504 1.00 0.00 C ATOM 82 C HIS A 9 -2.811 17.346 -8.112 1.00 0.00 C ATOM 83 O HIS A 9 -2.082 18.320 -8.295 1.00 0.00 O ATOM 84 CB HIS A 9 -5.085 18.479 -8.309 1.00 0.00 C ATOM 85 CG HIS A 9 -5.012 19.916 -7.849 1.00 0.00 C ATOM 86 ND1 HIS A 9 -6.135 20.707 -7.683 1.00 0.00 N ATOM 87 CD2 HIS A 9 -3.940 20.693 -7.522 1.00 0.00 C ATOM 88 CE1 HIS A 9 -5.745 21.906 -7.274 1.00 0.00 C ATOM 89 NE2 HIS A 9 -4.384 21.895 -7.175 1.00 0.00 N ATOM 0 H HIS A 9 -3.128 18.165 -5.825 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.700 16.552 -7.533 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -4.794 18.429 -9.358 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.120 18.141 -8.249 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -2.906 20.383 -7.542 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -6.391 22.744 -7.057 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -3.803 22.681 -6.883 1.00 0.00 H new ATOM 97 N GLY A 10 -2.482 16.097 -8.406 1.00 0.00 N ATOM 98 CA GLY A 10 -1.190 15.780 -8.989 1.00 0.00 C ATOM 99 C GLY A 10 -1.032 14.271 -9.188 1.00 0.00 C ATOM 100 O GLY A 10 -1.961 13.600 -9.637 1.00 0.00 O ATOM 0 H GLY A 10 -3.089 15.292 -8.251 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.085 16.289 -9.947 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.395 16.150 -8.342 1.00 0.00 H new ATOM 104 N THR A 11 0.150 13.781 -8.843 1.00 0.00 N ATOM 105 CA THR A 11 0.440 12.364 -8.978 1.00 0.00 C ATOM 106 C THR A 11 0.920 11.789 -7.643 1.00 0.00 C ATOM 107 O THR A 11 1.576 12.480 -6.866 1.00 0.00 O ATOM 108 CB THR A 11 1.454 12.195 -10.111 1.00 0.00 C ATOM 109 OG1 THR A 11 0.741 12.598 -11.277 1.00 0.00 O ATOM 110 CG2 THR A 11 1.798 10.728 -10.375 1.00 0.00 C ATOM 0 H THR A 11 0.917 14.340 -8.470 1.00 0.00 H new ATOM 0 HA THR A 11 -0.456 11.800 -9.237 1.00 0.00 H new ATOM 0 HB THR A 11 2.364 12.744 -9.868 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.325 12.521 -12.060 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.521 10.664 -11.188 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.225 10.287 -9.474 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.893 10.186 -10.651 1.00 0.00 H new ATOM 118 N LEU A 12 0.573 10.530 -7.419 1.00 0.00 N ATOM 119 CA LEU A 12 0.960 9.854 -6.193 1.00 0.00 C ATOM 120 C LEU A 12 2.028 8.805 -6.508 1.00 0.00 C ATOM 121 O LEU A 12 2.032 8.224 -7.593 1.00 0.00 O ATOM 122 CB LEU A 12 -0.270 9.285 -5.484 1.00 0.00 C ATOM 123 CG LEU A 12 0.006 8.272 -4.371 1.00 0.00 C ATOM 124 CD1 LEU A 12 0.499 6.944 -4.948 1.00 0.00 C ATOM 125 CD2 LEU A 12 0.978 8.844 -3.338 1.00 0.00 C ATOM 0 H LEU A 12 0.028 9.960 -8.066 1.00 0.00 H new ATOM 0 HA LEU A 12 1.405 10.561 -5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.837 10.114 -5.061 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.908 8.811 -6.230 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.932 8.070 -3.853 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.688 6.242 -4.136 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.259 6.533 -5.614 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.421 7.109 -5.506 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.157 8.104 -2.558 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.921 9.094 -3.825 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.550 9.743 -2.894 1.00 0.00 H new ATOM 137 N GLU A 13 2.909 8.595 -5.542 1.00 0.00 N ATOM 138 CA GLU A 13 3.980 7.626 -5.703 1.00 0.00 C ATOM 139 C GLU A 13 4.052 6.706 -4.482 1.00 0.00 C ATOM 140 O GLU A 13 4.433 7.139 -3.396 1.00 0.00 O ATOM 141 CB GLU A 13 5.320 8.325 -5.942 1.00 0.00 C ATOM 142 CG GLU A 13 6.254 7.448 -6.778 1.00 0.00 C ATOM 143 CD GLU A 13 7.710 7.625 -6.341 1.00 0.00 C ATOM 144 OE1 GLU A 13 7.965 7.446 -5.131 1.00 0.00 O ATOM 145 OE2 GLU A 13 8.535 7.936 -7.228 1.00 0.00 O ATOM 0 H GLU A 13 2.904 9.079 -4.644 1.00 0.00 H new ATOM 0 HA GLU A 13 3.763 7.017 -6.580 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.153 9.274 -6.452 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.790 8.555 -4.986 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.965 6.402 -6.676 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.153 7.705 -7.832 1.00 0.00 H new ATOM 152 N VAL A 14 3.680 5.454 -4.702 1.00 0.00 N ATOM 153 CA VAL A 14 3.697 4.469 -3.634 1.00 0.00 C ATOM 154 C VAL A 14 4.887 3.528 -3.834 1.00 0.00 C ATOM 155 O VAL A 14 4.890 2.713 -4.755 1.00 0.00 O ATOM 156 CB VAL A 14 2.356 3.735 -3.577 1.00 0.00 C ATOM 157 CG1 VAL A 14 2.469 2.451 -2.752 1.00 0.00 C ATOM 158 CG2 VAL A 14 1.256 4.645 -3.028 1.00 0.00 C ATOM 0 H VAL A 14 3.365 5.099 -5.605 1.00 0.00 H new ATOM 0 HA VAL A 14 3.826 4.955 -2.667 1.00 0.00 H new ATOM 0 HB VAL A 14 2.083 3.456 -4.595 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.502 1.948 -2.727 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.209 1.792 -3.205 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.776 2.697 -1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.313 4.099 -2.998 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.520 4.969 -2.021 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.150 5.517 -3.673 1.00 0.00 H new ATOM 168 N VAL A 15 5.868 3.670 -2.955 1.00 0.00 N ATOM 169 CA VAL A 15 7.060 2.843 -3.023 1.00 0.00 C ATOM 170 C VAL A 15 6.911 1.662 -2.062 1.00 0.00 C ATOM 171 O VAL A 15 7.248 1.770 -0.884 1.00 0.00 O ATOM 172 CB VAL A 15 8.302 3.690 -2.742 1.00 0.00 C ATOM 173 CG1 VAL A 15 9.564 2.825 -2.727 1.00 0.00 C ATOM 174 CG2 VAL A 15 8.430 4.829 -3.755 1.00 0.00 C ATOM 0 H VAL A 15 5.861 4.346 -2.191 1.00 0.00 H new ATOM 0 HA VAL A 15 7.184 2.433 -4.025 1.00 0.00 H new ATOM 0 HB VAL A 15 8.188 4.133 -1.753 1.00 0.00 H new ATOM 0 HG11 VAL A 15 10.432 3.452 -2.525 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.476 2.066 -1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.684 2.340 -3.696 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.321 5.416 -3.532 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.510 4.415 -4.760 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.550 5.469 -3.696 1.00 0.00 H new ATOM 184 N LEU A 16 6.407 0.561 -2.600 1.00 0.00 N ATOM 185 CA LEU A 16 6.210 -0.639 -1.805 1.00 0.00 C ATOM 186 C LEU A 16 7.569 -1.165 -1.338 1.00 0.00 C ATOM 187 O LEU A 16 8.299 -1.781 -2.112 1.00 0.00 O ATOM 188 CB LEU A 16 5.387 -1.667 -2.582 1.00 0.00 C ATOM 189 CG LEU A 16 5.052 -2.961 -1.836 1.00 0.00 C ATOM 190 CD1 LEU A 16 5.115 -4.167 -2.775 1.00 0.00 C ATOM 191 CD2 LEU A 16 5.956 -3.138 -0.614 1.00 0.00 C ATOM 0 H LEU A 16 6.129 0.475 -3.578 1.00 0.00 H new ATOM 0 HA LEU A 16 5.631 -0.412 -0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.453 -1.197 -2.891 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.930 -1.925 -3.491 1.00 0.00 H new ATOM 0 HG LEU A 16 4.027 -2.890 -1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.873 -5.073 -2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.398 -4.035 -3.585 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.119 -4.253 -3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.698 -4.065 -0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.997 -3.179 -0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.818 -2.297 0.066 1.00 0.00 H new ATOM 203 N VAL A 17 7.866 -0.902 -0.074 1.00 0.00 N ATOM 204 CA VAL A 17 9.124 -1.341 0.506 1.00 0.00 C ATOM 205 C VAL A 17 9.008 -2.812 0.910 1.00 0.00 C ATOM 206 O VAL A 17 9.375 -3.702 0.144 1.00 0.00 O ATOM 207 CB VAL A 17 9.510 -0.429 1.672 1.00 0.00 C ATOM 208 CG1 VAL A 17 10.511 -1.120 2.600 1.00 0.00 C ATOM 209 CG2 VAL A 17 10.062 0.905 1.165 1.00 0.00 C ATOM 0 H VAL A 17 7.257 -0.390 0.565 1.00 0.00 H new ATOM 0 HA VAL A 17 9.928 -1.267 -0.226 1.00 0.00 H new ATOM 0 HB VAL A 17 8.608 -0.221 2.248 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.769 -0.450 3.420 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.066 -2.031 3.001 1.00 0.00 H new ATOM 0 HG13 VAL A 17 11.412 -1.372 2.040 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.329 1.535 2.014 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.947 0.724 0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.304 1.408 0.564 1.00 0.00 H new ATOM 219 N SER A 18 8.496 -3.023 2.114 1.00 0.00 N ATOM 220 CA SER A 18 8.327 -4.371 2.630 1.00 0.00 C ATOM 221 C SER A 18 7.157 -4.412 3.614 1.00 0.00 C ATOM 222 O SER A 18 6.405 -3.446 3.730 1.00 0.00 O ATOM 223 CB SER A 18 9.607 -4.867 3.306 1.00 0.00 C ATOM 224 OG SER A 18 9.700 -4.428 4.659 1.00 0.00 O ATOM 0 H SER A 18 8.193 -2.283 2.747 1.00 0.00 H new ATOM 0 HA SER A 18 8.111 -5.033 1.791 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.635 -5.956 3.275 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.473 -4.510 2.749 1.00 0.00 H new ATOM 0 HG SER A 18 10.529 -4.766 5.056 1.00 0.00 H new ATOM 230 N ALA A 19 7.040 -5.541 4.298 1.00 0.00 N ATOM 231 CA ALA A 19 5.973 -5.720 5.269 1.00 0.00 C ATOM 232 C ALA A 19 6.374 -6.810 6.265 1.00 0.00 C ATOM 233 O ALA A 19 6.900 -7.851 5.874 1.00 0.00 O ATOM 234 CB ALA A 19 4.669 -6.048 4.540 1.00 0.00 C ATOM 0 H ALA A 19 7.666 -6.340 4.199 1.00 0.00 H new ATOM 0 HA ALA A 19 5.809 -4.802 5.833 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.869 -6.182 5.268 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.413 -5.230 3.866 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.794 -6.966 3.965 1.00 0.00 H new ATOM 240 N LYS A 20 6.111 -6.533 7.534 1.00 0.00 N ATOM 241 CA LYS A 20 6.438 -7.477 8.589 1.00 0.00 C ATOM 242 C LYS A 20 5.145 -8.018 9.201 1.00 0.00 C ATOM 243 O LYS A 20 4.098 -7.377 9.118 1.00 0.00 O ATOM 244 CB LYS A 20 7.380 -6.835 9.609 1.00 0.00 C ATOM 245 CG LYS A 20 8.777 -6.638 9.018 1.00 0.00 C ATOM 246 CD LYS A 20 9.278 -5.212 9.257 1.00 0.00 C ATOM 247 CE LYS A 20 10.760 -5.084 8.897 1.00 0.00 C ATOM 248 NZ LYS A 20 11.594 -5.841 9.856 1.00 0.00 N ATOM 0 H LYS A 20 5.675 -5.668 7.855 1.00 0.00 H new ATOM 0 HA LYS A 20 6.980 -8.331 8.182 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.977 -5.873 9.927 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.443 -7.463 10.497 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.469 -7.350 9.467 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.756 -6.845 7.948 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.693 -4.512 8.660 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.129 -4.941 10.302 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.928 -5.457 7.887 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.052 -4.034 8.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.575 -5.499 9.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.226 -5.704 10.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.568 -6.853 9.616 1.00 0.00 H new ATOM 262 N GLY A 21 5.259 -9.193 9.803 1.00 0.00 N ATOM 263 CA GLY A 21 4.112 -9.829 10.429 1.00 0.00 C ATOM 264 C GLY A 21 4.396 -10.148 11.898 1.00 0.00 C ATOM 265 O GLY A 21 4.245 -11.290 12.330 1.00 0.00 O ATOM 0 H GLY A 21 6.129 -9.722 9.871 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.244 -9.174 10.357 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.864 -10.746 9.895 1.00 0.00 H new ATOM 269 N LEU A 22 4.803 -9.118 12.627 1.00 0.00 N ATOM 270 CA LEU A 22 5.109 -9.274 14.038 1.00 0.00 C ATOM 271 C LEU A 22 5.950 -10.537 14.236 1.00 0.00 C ATOM 272 O LEU A 22 6.417 -11.135 13.268 1.00 0.00 O ATOM 273 CB LEU A 22 3.826 -9.253 14.871 1.00 0.00 C ATOM 274 CG LEU A 22 2.917 -8.039 14.671 1.00 0.00 C ATOM 275 CD1 LEU A 22 1.589 -8.220 15.410 1.00 0.00 C ATOM 276 CD2 LEU A 22 3.629 -6.748 15.081 1.00 0.00 C ATOM 0 H LEU A 22 4.928 -8.172 12.266 1.00 0.00 H new ATOM 0 HA LEU A 22 5.705 -8.434 14.393 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.254 -10.152 14.643 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.099 -9.308 15.925 1.00 0.00 H new ATOM 0 HG LEU A 22 2.686 -7.957 13.609 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.962 -7.343 15.251 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.079 -9.105 15.030 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.780 -8.341 16.476 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.961 -5.900 14.929 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.909 -6.805 16.133 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.525 -6.618 14.474 1.00 0.00 H new ATOM 288 N GLU A 23 6.117 -10.907 15.498 1.00 0.00 N ATOM 289 CA GLU A 23 6.893 -12.088 15.835 1.00 0.00 C ATOM 290 C GLU A 23 5.975 -13.196 16.353 1.00 0.00 C ATOM 291 O GLU A 23 6.448 -14.223 16.838 1.00 0.00 O ATOM 292 CB GLU A 23 7.982 -11.755 16.857 1.00 0.00 C ATOM 293 CG GLU A 23 7.387 -11.591 18.258 1.00 0.00 C ATOM 294 CD GLU A 23 8.349 -10.835 19.177 1.00 0.00 C ATOM 295 OE1 GLU A 23 8.916 -9.828 18.701 1.00 0.00 O ATOM 296 OE2 GLU A 23 8.496 -11.282 20.335 1.00 0.00 O ATOM 0 H GLU A 23 5.728 -10.409 16.299 1.00 0.00 H new ATOM 0 HA GLU A 23 7.386 -12.445 14.931 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.731 -12.547 16.866 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.492 -10.837 16.565 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.441 -11.053 18.195 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.169 -12.571 18.681 1.00 0.00 H new ATOM 303 N ASP A 24 4.678 -12.951 16.232 1.00 0.00 N ATOM 304 CA ASP A 24 3.690 -13.916 16.682 1.00 0.00 C ATOM 305 C ASP A 24 2.513 -13.928 15.704 1.00 0.00 C ATOM 306 O ASP A 24 1.357 -13.982 16.119 1.00 0.00 O ATOM 307 CB ASP A 24 3.150 -13.547 18.066 1.00 0.00 C ATOM 308 CG ASP A 24 3.926 -14.143 19.242 1.00 0.00 C ATOM 309 OD1 ASP A 24 4.918 -13.501 19.652 1.00 0.00 O ATOM 310 OD2 ASP A 24 3.511 -15.227 19.705 1.00 0.00 O ATOM 0 H ASP A 24 4.289 -12.098 15.829 1.00 0.00 H new ATOM 0 HA ASP A 24 4.171 -14.893 16.731 1.00 0.00 H new ATOM 0 HB2 ASP A 24 3.151 -12.461 18.162 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.112 -13.872 18.133 1.00 0.00 H new ATOM 315 N ALA A 25 2.849 -13.877 14.424 1.00 0.00 N ATOM 316 CA ALA A 25 1.835 -13.881 13.383 1.00 0.00 C ATOM 317 C ALA A 25 2.365 -14.638 12.164 1.00 0.00 C ATOM 318 O ALA A 25 3.457 -14.351 11.676 1.00 0.00 O ATOM 319 CB ALA A 25 1.440 -12.442 13.049 1.00 0.00 C ATOM 0 H ALA A 25 3.809 -13.833 14.084 1.00 0.00 H new ATOM 0 HA ALA A 25 0.936 -14.394 13.725 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.679 -12.445 12.268 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.042 -11.958 13.941 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.316 -11.896 12.700 1.00 0.00 H new ATOM 325 N ASP A 26 1.567 -15.591 11.705 1.00 0.00 N ATOM 326 CA ASP A 26 1.942 -16.391 10.552 1.00 0.00 C ATOM 327 C ASP A 26 1.602 -15.625 9.272 1.00 0.00 C ATOM 328 O ASP A 26 0.948 -16.161 8.379 1.00 0.00 O ATOM 329 CB ASP A 26 1.175 -17.716 10.528 1.00 0.00 C ATOM 330 CG ASP A 26 -0.295 -17.605 10.119 1.00 0.00 C ATOM 331 OD1 ASP A 26 -0.908 -16.577 10.479 1.00 0.00 O ATOM 332 OD2 ASP A 26 -0.772 -18.550 9.455 1.00 0.00 O ATOM 0 H ASP A 26 0.662 -15.827 12.111 1.00 0.00 H new ATOM 0 HA ASP A 26 3.011 -16.594 10.616 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.677 -18.397 9.841 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.228 -18.167 11.519 1.00 0.00 H new ATOM 337 N PHE A 27 2.060 -14.383 9.225 1.00 0.00 N ATOM 338 CA PHE A 27 1.813 -13.537 8.070 1.00 0.00 C ATOM 339 C PHE A 27 3.071 -13.401 7.210 1.00 0.00 C ATOM 340 O PHE A 27 4.141 -13.069 7.719 1.00 0.00 O ATOM 341 CB PHE A 27 1.420 -12.157 8.601 1.00 0.00 C ATOM 342 CG PHE A 27 1.200 -11.109 7.509 1.00 0.00 C ATOM 343 CD1 PHE A 27 0.336 -11.361 6.489 1.00 0.00 C ATOM 344 CD2 PHE A 27 1.868 -9.926 7.557 1.00 0.00 C ATOM 345 CE1 PHE A 27 0.131 -10.388 5.475 1.00 0.00 C ATOM 346 CE2 PHE A 27 1.664 -8.953 6.543 1.00 0.00 C ATOM 347 CZ PHE A 27 0.800 -9.205 5.523 1.00 0.00 C ATOM 0 H PHE A 27 2.601 -13.942 9.969 1.00 0.00 H new ATOM 0 HA PHE A 27 1.029 -13.973 7.451 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.507 -12.252 9.188 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.199 -11.804 9.277 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.194 -12.301 6.450 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.554 -9.726 8.367 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.556 -10.588 4.666 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.195 -8.013 6.582 1.00 0.00 H new ATOM 0 HZ PHE A 27 0.645 -8.466 4.751 1.00 0.00 H new ATOM 357 N LEU A 28 2.902 -13.664 5.923 1.00 0.00 N ATOM 358 CA LEU A 28 4.011 -13.574 4.988 1.00 0.00 C ATOM 359 C LEU A 28 5.030 -14.669 5.308 1.00 0.00 C ATOM 360 O LEU A 28 6.192 -14.575 4.914 1.00 0.00 O ATOM 361 CB LEU A 28 4.602 -12.163 4.992 1.00 0.00 C ATOM 362 CG LEU A 28 3.908 -11.143 4.087 1.00 0.00 C ATOM 363 CD1 LEU A 28 2.418 -11.458 3.947 1.00 0.00 C ATOM 364 CD2 LEU A 28 4.148 -9.716 4.584 1.00 0.00 C ATOM 0 H LEU A 28 2.013 -13.940 5.505 1.00 0.00 H new ATOM 0 HA LEU A 28 3.666 -13.746 3.969 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.582 -11.785 6.014 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.649 -12.228 4.697 1.00 0.00 H new ATOM 0 HG LEU A 28 4.347 -11.215 3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.949 -10.718 3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.295 -12.450 3.513 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.946 -11.431 4.929 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.644 -9.011 3.923 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.753 -9.612 5.595 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.218 -9.508 4.589 1.00 0.00 H new ATOM 376 N ASN A 29 4.560 -15.683 6.019 1.00 0.00 N ATOM 377 CA ASN A 29 5.416 -16.794 6.396 1.00 0.00 C ATOM 378 C ASN A 29 5.945 -17.476 5.132 1.00 0.00 C ATOM 379 O ASN A 29 6.162 -16.822 4.114 1.00 0.00 O ATOM 380 CB ASN A 29 4.642 -17.836 7.206 1.00 0.00 C ATOM 381 CG ASN A 29 5.553 -18.527 8.224 1.00 0.00 C ATOM 382 OD1 ASN A 29 6.706 -18.827 7.960 1.00 0.00 O ATOM 383 ND2 ASN A 29 4.974 -18.760 9.398 1.00 0.00 N ATOM 0 H ASN A 29 3.596 -15.758 6.344 1.00 0.00 H new ATOM 0 HA ASN A 29 6.232 -16.400 7.001 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.811 -17.356 7.723 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.213 -18.579 6.534 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.499 -19.216 10.144 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.005 -18.483 9.552 1.00 0.00 H new ATOM 390 N ASN A 30 6.137 -18.783 5.240 1.00 0.00 N ATOM 391 CA ASN A 30 6.636 -19.561 4.118 1.00 0.00 C ATOM 392 C ASN A 30 5.592 -19.562 2.999 1.00 0.00 C ATOM 393 O ASN A 30 4.918 -20.566 2.775 1.00 0.00 O ATOM 394 CB ASN A 30 6.893 -21.013 4.526 1.00 0.00 C ATOM 395 CG ASN A 30 8.027 -21.102 5.549 1.00 0.00 C ATOM 396 OD1 ASN A 30 7.869 -20.794 6.719 1.00 0.00 O ATOM 397 ND2 ASN A 30 9.177 -21.540 5.044 1.00 0.00 N ATOM 0 H ASN A 30 5.956 -19.322 6.087 1.00 0.00 H new ATOM 0 HA ASN A 30 7.570 -19.110 3.783 1.00 0.00 H new ATOM 0 HB2 ASN A 30 5.984 -21.443 4.947 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.146 -21.603 3.645 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.995 -21.635 5.646 1.00 0.00 H new ATOM 0 HD22 ASN A 30 9.241 -21.781 4.055 1.00 0.00 H new ATOM 404 N MET A 31 5.492 -18.425 2.326 1.00 0.00 N ATOM 405 CA MET A 31 4.543 -18.282 1.236 1.00 0.00 C ATOM 406 C MET A 31 5.063 -17.305 0.180 1.00 0.00 C ATOM 407 O MET A 31 6.208 -16.861 0.250 1.00 0.00 O ATOM 408 CB MET A 31 3.207 -17.776 1.785 1.00 0.00 C ATOM 409 CG MET A 31 3.423 -16.838 2.974 1.00 0.00 C ATOM 410 SD MET A 31 1.851 -16.383 3.686 1.00 0.00 S ATOM 411 CE MET A 31 1.137 -15.488 2.317 1.00 0.00 C ATOM 0 H MET A 31 6.053 -17.594 2.515 1.00 0.00 H new ATOM 0 HA MET A 31 4.408 -19.257 0.767 1.00 0.00 H new ATOM 0 HB2 MET A 31 2.661 -17.253 0.999 1.00 0.00 H new ATOM 0 HB3 MET A 31 2.592 -18.622 2.092 1.00 0.00 H new ATOM 0 HG2 MET A 31 4.044 -17.326 3.725 1.00 0.00 H new ATOM 0 HG3 MET A 31 3.957 -15.945 2.651 1.00 0.00 H new ATOM 0 HE1 MET A 31 1.008 -14.442 2.594 1.00 0.00 H new ATOM 0 HE2 MET A 31 1.799 -15.556 1.453 1.00 0.00 H new ATOM 0 HE3 MET A 31 0.168 -15.919 2.066 1.00 0.00 H new ATOM 421 N ASP A 32 4.197 -16.998 -0.775 1.00 0.00 N ATOM 422 CA ASP A 32 4.555 -16.082 -1.844 1.00 0.00 C ATOM 423 C ASP A 32 3.439 -15.050 -2.020 1.00 0.00 C ATOM 424 O ASP A 32 2.809 -14.986 -3.074 1.00 0.00 O ATOM 425 CB ASP A 32 4.726 -16.824 -3.171 1.00 0.00 C ATOM 426 CG ASP A 32 6.086 -17.497 -3.365 1.00 0.00 C ATOM 427 OD1 ASP A 32 6.620 -18.001 -2.353 1.00 0.00 O ATOM 428 OD2 ASP A 32 6.562 -17.492 -4.521 1.00 0.00 O ATOM 0 H ASP A 32 3.248 -17.368 -0.830 1.00 0.00 H new ATOM 0 HA ASP A 32 5.496 -15.602 -1.576 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.948 -17.583 -3.248 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.566 -16.119 -3.987 1.00 0.00 H new ATOM 433 N PRO A 33 3.224 -14.247 -0.944 1.00 0.00 N ATOM 434 CA PRO A 33 2.196 -13.221 -0.969 1.00 0.00 C ATOM 435 C PRO A 33 2.635 -12.025 -1.817 1.00 0.00 C ATOM 436 O PRO A 33 3.817 -11.878 -2.125 1.00 0.00 O ATOM 437 CB PRO A 33 1.963 -12.861 0.489 1.00 0.00 C ATOM 438 CG PRO A 33 3.187 -13.357 1.241 1.00 0.00 C ATOM 439 CD PRO A 33 3.952 -14.294 0.321 1.00 0.00 C ATOM 0 HA PRO A 33 1.271 -13.564 -1.433 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.839 -11.785 0.611 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.055 -13.331 0.867 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.816 -12.519 1.541 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.891 -13.875 2.153 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.985 -13.970 0.196 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.982 -15.307 0.723 1.00 0.00 H new ATOM 447 N TYR A 34 1.660 -11.201 -2.171 1.00 0.00 N ATOM 448 CA TYR A 34 1.931 -10.023 -2.977 1.00 0.00 C ATOM 449 C TYR A 34 1.050 -8.849 -2.546 1.00 0.00 C ATOM 450 O TYR A 34 -0.095 -9.043 -2.140 1.00 0.00 O ATOM 451 CB TYR A 34 1.581 -10.407 -4.416 1.00 0.00 C ATOM 452 CG TYR A 34 0.111 -10.780 -4.620 1.00 0.00 C ATOM 453 CD1 TYR A 34 -0.313 -12.071 -4.378 1.00 0.00 C ATOM 454 CD2 TYR A 34 -0.790 -9.826 -5.046 1.00 0.00 C ATOM 455 CE1 TYR A 34 -1.697 -12.422 -4.570 1.00 0.00 C ATOM 456 CE2 TYR A 34 -2.174 -10.177 -5.238 1.00 0.00 C ATOM 457 CZ TYR A 34 -2.558 -11.458 -4.991 1.00 0.00 C ATOM 458 OH TYR A 34 -3.865 -11.789 -5.172 1.00 0.00 O ATOM 0 H TYR A 34 0.681 -11.326 -1.914 1.00 0.00 H new ATOM 0 HA TYR A 34 2.971 -9.714 -2.868 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.829 -9.574 -5.074 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.204 -11.249 -4.719 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.392 -12.818 -4.045 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.458 -8.816 -5.236 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.043 -13.428 -4.384 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.890 -9.440 -5.570 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.933 -12.740 -5.401 1.00 0.00 H new ATOM 468 N VAL A 35 1.617 -7.656 -2.649 1.00 0.00 N ATOM 469 CA VAL A 35 0.897 -6.450 -2.274 1.00 0.00 C ATOM 470 C VAL A 35 0.171 -5.894 -3.501 1.00 0.00 C ATOM 471 O VAL A 35 0.652 -6.026 -4.625 1.00 0.00 O ATOM 472 CB VAL A 35 1.858 -5.442 -1.641 1.00 0.00 C ATOM 473 CG1 VAL A 35 1.142 -4.129 -1.320 1.00 0.00 C ATOM 474 CG2 VAL A 35 2.518 -6.027 -0.390 1.00 0.00 C ATOM 0 H VAL A 35 2.566 -7.498 -2.987 1.00 0.00 H new ATOM 0 HA VAL A 35 0.141 -6.674 -1.522 1.00 0.00 H new ATOM 0 HB VAL A 35 2.643 -5.226 -2.365 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.848 -3.430 -0.871 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.740 -3.700 -2.238 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.327 -4.320 -0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.197 -5.291 0.041 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.750 -6.284 0.340 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.078 -6.923 -0.659 1.00 0.00 H new ATOM 484 N GLN A 36 -0.977 -5.284 -3.243 1.00 0.00 N ATOM 485 CA GLN A 36 -1.774 -4.707 -4.312 1.00 0.00 C ATOM 486 C GLN A 36 -2.372 -3.371 -3.866 1.00 0.00 C ATOM 487 O GLN A 36 -3.295 -3.340 -3.054 1.00 0.00 O ATOM 488 CB GLN A 36 -2.870 -5.675 -4.762 1.00 0.00 C ATOM 489 CG GLN A 36 -3.979 -4.936 -5.514 1.00 0.00 C ATOM 490 CD GLN A 36 -5.102 -5.895 -5.916 1.00 0.00 C ATOM 491 OE1 GLN A 36 -5.145 -6.414 -7.019 1.00 0.00 O ATOM 492 NE2 GLN A 36 -6.005 -6.100 -4.961 1.00 0.00 N ATOM 0 H GLN A 36 -1.374 -5.177 -2.309 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.123 -4.524 -5.167 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -2.440 -6.444 -5.404 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -3.290 -6.183 -3.894 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.382 -4.141 -4.886 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -3.566 -4.461 -6.404 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.909 -5.633 -4.059 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.794 -6.724 -5.130 1.00 0.00 H new ATOM 501 N LEU A 37 -1.821 -2.299 -4.417 1.00 0.00 N ATOM 502 CA LEU A 37 -2.289 -0.964 -4.087 1.00 0.00 C ATOM 503 C LEU A 37 -3.613 -0.699 -4.805 1.00 0.00 C ATOM 504 O LEU A 37 -3.983 -1.430 -5.723 1.00 0.00 O ATOM 505 CB LEU A 37 -1.206 0.073 -4.392 1.00 0.00 C ATOM 506 CG LEU A 37 0.089 -0.053 -3.587 1.00 0.00 C ATOM 507 CD1 LEU A 37 -0.130 -0.883 -2.321 1.00 0.00 C ATOM 508 CD2 LEU A 37 1.220 -0.614 -4.452 1.00 0.00 C ATOM 0 H LEU A 37 -1.055 -2.328 -5.090 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.485 -0.883 -3.018 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.959 0.010 -5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.622 1.065 -4.220 1.00 0.00 H new ATOM 0 HG LEU A 37 0.391 0.945 -3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.806 -0.957 -1.768 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.884 -0.403 -1.697 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.469 -1.882 -2.595 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.129 -0.693 -3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.941 -1.601 -4.821 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.397 0.052 -5.296 1.00 0.00 H new ATOM 520 N THR A 38 -4.292 0.348 -4.360 1.00 0.00 N ATOM 521 CA THR A 38 -5.568 0.718 -4.949 1.00 0.00 C ATOM 522 C THR A 38 -5.773 2.232 -4.869 1.00 0.00 C ATOM 523 O THR A 38 -5.663 2.821 -3.795 1.00 0.00 O ATOM 524 CB THR A 38 -6.665 -0.082 -4.243 1.00 0.00 C ATOM 525 OG1 THR A 38 -5.970 -1.176 -3.651 1.00 0.00 O ATOM 526 CG2 THR A 38 -7.632 -0.743 -5.226 1.00 0.00 C ATOM 0 H THR A 38 -3.983 0.952 -3.598 1.00 0.00 H new ATOM 0 HA THR A 38 -5.599 0.473 -6.011 1.00 0.00 H new ATOM 0 HB THR A 38 -7.221 0.576 -3.574 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.603 -0.901 -2.785 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.390 -1.298 -4.673 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.114 0.023 -5.833 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.082 -1.426 -5.873 1.00 0.00 H new ATOM 534 N CYS A 39 -6.068 2.819 -6.020 1.00 0.00 N ATOM 535 CA CYS A 39 -6.289 4.253 -6.094 1.00 0.00 C ATOM 536 C CYS A 39 -7.418 4.514 -7.093 1.00 0.00 C ATOM 537 O CYS A 39 -7.168 4.703 -8.283 1.00 0.00 O ATOM 538 CB CYS A 39 -5.010 5.004 -6.470 1.00 0.00 C ATOM 539 SG CYS A 39 -5.023 6.674 -5.721 1.00 0.00 S ATOM 0 H CYS A 39 -6.159 2.327 -6.909 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.578 4.630 -5.113 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.138 4.449 -6.126 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.930 5.083 -7.554 1.00 0.00 H new ATOM 0 HG CYS A 39 -3.809 7.137 -5.672 1.00 0.00 H new ATOM 545 N ARG A 40 -8.637 4.515 -6.573 1.00 0.00 N ATOM 546 CA ARG A 40 -9.805 4.749 -7.405 1.00 0.00 C ATOM 547 C ARG A 40 -9.903 3.681 -8.495 1.00 0.00 C ATOM 548 O ARG A 40 -9.264 3.795 -9.540 1.00 0.00 O ATOM 549 CB ARG A 40 -9.748 6.132 -8.058 1.00 0.00 C ATOM 550 CG ARG A 40 -11.038 6.913 -7.800 1.00 0.00 C ATOM 551 CD ARG A 40 -10.760 8.415 -7.709 1.00 0.00 C ATOM 552 NE ARG A 40 -11.576 9.143 -8.705 1.00 0.00 N ATOM 553 CZ ARG A 40 -11.421 10.441 -9.001 1.00 0.00 C ATOM 554 NH1 ARG A 40 -10.478 11.161 -8.377 1.00 0.00 N ATOM 555 NH2 ARG A 40 -12.207 11.018 -9.919 1.00 0.00 N ATOM 0 H ARG A 40 -8.841 4.358 -5.586 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.685 4.699 -6.763 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -8.897 6.689 -7.666 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.592 6.025 -9.131 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.751 6.719 -8.601 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.498 6.568 -6.874 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.989 8.775 -6.706 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.701 8.608 -7.883 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.303 8.624 -9.198 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.880 10.721 -7.678 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.359 12.149 -8.601 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.924 10.470 -10.394 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.088 12.006 -10.144 1.00 0.00 H new ATOM 569 N THR A 41 -10.709 2.667 -8.215 1.00 0.00 N ATOM 570 CA THR A 41 -10.899 1.579 -9.160 1.00 0.00 C ATOM 571 C THR A 41 -9.617 1.338 -9.960 1.00 0.00 C ATOM 572 O THR A 41 -9.672 1.056 -11.156 1.00 0.00 O ATOM 573 CB THR A 41 -12.107 1.918 -10.035 1.00 0.00 C ATOM 574 OG1 THR A 41 -11.727 3.120 -10.700 1.00 0.00 O ATOM 575 CG2 THR A 41 -13.332 2.319 -9.211 1.00 0.00 C ATOM 0 H THR A 41 -11.238 2.576 -7.348 1.00 0.00 H new ATOM 0 HA THR A 41 -11.106 0.640 -8.646 1.00 0.00 H new ATOM 0 HB THR A 41 -12.355 1.060 -10.660 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.453 3.411 -11.291 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.161 2.549 -9.880 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.614 1.496 -8.554 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.095 3.198 -8.611 1.00 0.00 H new ATOM 583 N GLN A 42 -8.494 1.457 -9.268 1.00 0.00 N ATOM 584 CA GLN A 42 -7.201 1.255 -9.899 1.00 0.00 C ATOM 585 C GLN A 42 -6.212 0.649 -8.901 1.00 0.00 C ATOM 586 O GLN A 42 -5.820 1.302 -7.935 1.00 0.00 O ATOM 587 CB GLN A 42 -6.662 2.566 -10.477 1.00 0.00 C ATOM 588 CG GLN A 42 -5.163 2.709 -10.206 1.00 0.00 C ATOM 589 CD GLN A 42 -4.519 3.685 -11.193 1.00 0.00 C ATOM 590 OE1 GLN A 42 -3.425 3.475 -11.689 1.00 0.00 O ATOM 591 NE2 GLN A 42 -5.257 4.762 -11.448 1.00 0.00 N ATOM 0 H GLN A 42 -8.453 1.691 -8.276 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.328 0.556 -10.726 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.846 2.597 -11.551 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.197 3.408 -10.038 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.006 3.061 -9.186 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.681 1.735 -10.285 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.165 4.876 -10.998 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.915 5.474 -12.093 1.00 0.00 H new ATOM 600 N ASP A 43 -5.837 -0.594 -9.169 1.00 0.00 N ATOM 601 CA ASP A 43 -4.902 -1.296 -8.307 1.00 0.00 C ATOM 602 C ASP A 43 -3.728 -1.808 -9.145 1.00 0.00 C ATOM 603 O ASP A 43 -3.805 -1.841 -10.372 1.00 0.00 O ATOM 604 CB ASP A 43 -5.566 -2.501 -7.639 1.00 0.00 C ATOM 605 CG ASP A 43 -6.284 -3.456 -8.594 1.00 0.00 C ATOM 606 OD1 ASP A 43 -5.629 -3.882 -9.569 1.00 0.00 O ATOM 607 OD2 ASP A 43 -7.473 -3.738 -8.328 1.00 0.00 O ATOM 0 H ASP A 43 -6.164 -1.132 -9.971 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.563 -0.600 -7.540 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -4.805 -3.060 -7.094 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.284 -2.139 -6.903 1.00 0.00 H new ATOM 612 N GLN A 44 -2.669 -2.194 -8.448 1.00 0.00 N ATOM 613 CA GLN A 44 -1.481 -2.702 -9.113 1.00 0.00 C ATOM 614 C GLN A 44 -0.731 -3.667 -8.193 1.00 0.00 C ATOM 615 O GLN A 44 -0.314 -3.289 -7.099 1.00 0.00 O ATOM 616 CB GLN A 44 -0.573 -1.557 -9.565 1.00 0.00 C ATOM 617 CG GLN A 44 -1.315 -0.610 -10.511 1.00 0.00 C ATOM 618 CD GLN A 44 -0.403 0.527 -10.974 1.00 0.00 C ATOM 619 OE1 GLN A 44 0.621 0.319 -11.605 1.00 0.00 O ATOM 620 NE2 GLN A 44 -0.829 1.738 -10.627 1.00 0.00 N ATOM 0 H GLN A 44 -2.609 -2.165 -7.430 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.792 -3.247 -10.004 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.219 -1.004 -8.695 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.307 -1.962 -10.066 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.678 -1.165 -11.376 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.189 -0.198 -10.007 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.695 1.842 -10.099 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.289 2.563 -10.889 1.00 0.00 H new ATOM 629 N LYS A 45 -0.580 -4.894 -8.670 1.00 0.00 N ATOM 630 CA LYS A 45 0.113 -5.915 -7.904 1.00 0.00 C ATOM 631 C LYS A 45 1.616 -5.815 -8.172 1.00 0.00 C ATOM 632 O LYS A 45 2.032 -5.327 -9.222 1.00 0.00 O ATOM 633 CB LYS A 45 -0.474 -7.297 -8.198 1.00 0.00 C ATOM 634 CG LYS A 45 -1.828 -7.476 -7.508 1.00 0.00 C ATOM 635 CD LYS A 45 -2.748 -8.379 -8.333 1.00 0.00 C ATOM 636 CE LYS A 45 -3.146 -7.702 -9.646 1.00 0.00 C ATOM 637 NZ LYS A 45 -4.234 -8.457 -10.309 1.00 0.00 N ATOM 0 H LYS A 45 -0.926 -5.204 -9.578 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.032 -5.754 -6.836 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.591 -7.425 -9.274 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.216 -8.069 -7.858 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.681 -7.907 -6.518 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.299 -6.503 -7.366 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.244 -9.322 -8.544 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.642 -8.617 -7.757 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.471 -6.680 -9.451 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.282 -7.641 -10.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.492 -7.984 -11.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.911 -9.425 -10.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.063 -8.493 -9.683 1.00 0.00 H new ATOM 651 N SER A 46 2.390 -6.286 -7.205 1.00 0.00 N ATOM 652 CA SER A 46 3.838 -6.256 -7.324 1.00 0.00 C ATOM 653 C SER A 46 4.381 -7.679 -7.468 1.00 0.00 C ATOM 654 O SER A 46 3.641 -8.648 -7.309 1.00 0.00 O ATOM 655 CB SER A 46 4.475 -5.564 -6.117 1.00 0.00 C ATOM 656 OG SER A 46 5.126 -6.491 -5.252 1.00 0.00 O ATOM 0 H SER A 46 2.042 -6.690 -6.336 1.00 0.00 H new ATOM 0 HA SER A 46 4.096 -5.684 -8.215 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.196 -4.823 -6.463 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.707 -5.026 -5.560 1.00 0.00 H new ATOM 0 HG SER A 46 5.706 -6.005 -4.629 1.00 0.00 H new ATOM 662 N ASN A 47 5.669 -7.759 -7.768 1.00 0.00 N ATOM 663 CA ASN A 47 6.319 -9.047 -7.935 1.00 0.00 C ATOM 664 C ASN A 47 5.960 -9.953 -6.755 1.00 0.00 C ATOM 665 O ASN A 47 5.674 -9.468 -5.661 1.00 0.00 O ATOM 666 CB ASN A 47 7.841 -8.896 -7.968 1.00 0.00 C ATOM 667 CG ASN A 47 8.274 -7.952 -9.092 1.00 0.00 C ATOM 668 OD1 ASN A 47 8.369 -6.747 -8.924 1.00 0.00 O ATOM 669 ND2 ASN A 47 8.532 -8.565 -10.244 1.00 0.00 N ATOM 0 H ASN A 47 6.280 -6.953 -7.900 1.00 0.00 H new ATOM 0 HA ASN A 47 5.978 -9.476 -8.877 1.00 0.00 H new ATOM 0 HB2 ASN A 47 8.193 -8.512 -7.010 1.00 0.00 H new ATOM 0 HB3 ASN A 47 8.304 -9.873 -8.110 1.00 0.00 H new ATOM 0 HD21 ASN A 47 8.829 -8.023 -11.055 1.00 0.00 H new ATOM 0 HD22 ASN A 47 8.432 -9.578 -10.316 1.00 0.00 H new ATOM 676 N VAL A 48 5.986 -11.251 -7.017 1.00 0.00 N ATOM 677 CA VAL A 48 5.666 -12.228 -5.991 1.00 0.00 C ATOM 678 C VAL A 48 6.874 -12.408 -5.070 1.00 0.00 C ATOM 679 O VAL A 48 8.001 -12.556 -5.540 1.00 0.00 O ATOM 680 CB VAL A 48 5.208 -13.537 -6.638 1.00 0.00 C ATOM 681 CG1 VAL A 48 5.323 -14.704 -5.656 1.00 0.00 C ATOM 682 CG2 VAL A 48 3.782 -13.412 -7.177 1.00 0.00 C ATOM 0 H VAL A 48 6.224 -11.649 -7.926 1.00 0.00 H new ATOM 0 HA VAL A 48 4.837 -11.878 -5.376 1.00 0.00 H new ATOM 0 HB VAL A 48 5.868 -13.743 -7.481 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.991 -15.622 -6.141 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.361 -14.814 -5.342 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.699 -14.509 -4.784 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.481 -14.356 -7.632 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.104 -13.171 -6.359 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.744 -12.620 -7.925 1.00 0.00 H new ATOM 692 N ALA A 49 6.598 -12.389 -3.774 1.00 0.00 N ATOM 693 CA ALA A 49 7.649 -12.548 -2.783 1.00 0.00 C ATOM 694 C ALA A 49 8.057 -14.021 -2.710 1.00 0.00 C ATOM 695 O ALA A 49 7.590 -14.756 -1.842 1.00 0.00 O ATOM 696 CB ALA A 49 7.164 -12.010 -1.435 1.00 0.00 C ATOM 0 H ALA A 49 5.662 -12.266 -3.387 1.00 0.00 H new ATOM 0 HA ALA A 49 8.532 -11.975 -3.065 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.952 -12.129 -0.691 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.914 -10.954 -1.533 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.280 -12.564 -1.119 1.00 0.00 H new ATOM 702 N GLU A 50 8.925 -14.407 -3.634 1.00 0.00 N ATOM 703 CA GLU A 50 9.401 -15.779 -3.685 1.00 0.00 C ATOM 704 C GLU A 50 10.389 -16.041 -2.546 1.00 0.00 C ATOM 705 O GLU A 50 11.432 -15.395 -2.463 1.00 0.00 O ATOM 706 CB GLU A 50 10.035 -16.088 -5.043 1.00 0.00 C ATOM 707 CG GLU A 50 8.979 -16.112 -6.149 1.00 0.00 C ATOM 708 CD GLU A 50 9.624 -15.949 -7.527 1.00 0.00 C ATOM 709 OE1 GLU A 50 10.645 -16.631 -7.759 1.00 0.00 O ATOM 710 OE2 GLU A 50 9.080 -15.147 -8.317 1.00 0.00 O ATOM 0 H GLU A 50 9.311 -13.794 -4.352 1.00 0.00 H new ATOM 0 HA GLU A 50 8.547 -16.445 -3.559 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.792 -15.338 -5.274 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.544 -17.051 -5.000 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.428 -17.052 -6.110 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.257 -15.312 -5.985 1.00 0.00 H new ATOM 717 N GLY A 51 10.025 -16.990 -1.697 1.00 0.00 N ATOM 718 CA GLY A 51 10.866 -17.346 -0.567 1.00 0.00 C ATOM 719 C GLY A 51 11.566 -16.112 0.005 1.00 0.00 C ATOM 720 O GLY A 51 12.791 -16.011 -0.043 1.00 0.00 O ATOM 0 H GLY A 51 9.159 -17.524 -1.769 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.261 -17.817 0.207 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.610 -18.079 -0.879 1.00 0.00 H new ATOM 724 N MET A 52 10.759 -15.204 0.533 1.00 0.00 N ATOM 725 CA MET A 52 11.286 -13.981 1.114 1.00 0.00 C ATOM 726 C MET A 52 11.281 -14.052 2.642 1.00 0.00 C ATOM 727 O MET A 52 12.148 -13.476 3.297 1.00 0.00 O ATOM 728 CB MET A 52 10.439 -12.792 0.655 1.00 0.00 C ATOM 729 CG MET A 52 11.322 -11.669 0.107 1.00 0.00 C ATOM 730 SD MET A 52 12.255 -12.256 -1.297 1.00 0.00 S ATOM 731 CE MET A 52 11.256 -11.607 -2.627 1.00 0.00 C ATOM 0 H MET A 52 9.743 -15.291 0.571 1.00 0.00 H new ATOM 0 HA MET A 52 12.316 -13.856 0.779 1.00 0.00 H new ATOM 0 HB2 MET A 52 9.737 -13.116 -0.114 1.00 0.00 H new ATOM 0 HB3 MET A 52 9.847 -12.419 1.490 1.00 0.00 H new ATOM 0 HG2 MET A 52 10.705 -10.820 -0.186 1.00 0.00 H new ATOM 0 HG3 MET A 52 12.001 -11.317 0.884 1.00 0.00 H new ATOM 0 HE1 MET A 52 10.809 -12.432 -3.182 1.00 0.00 H new ATOM 0 HE2 MET A 52 10.467 -10.977 -2.216 1.00 0.00 H new ATOM 0 HE3 MET A 52 11.881 -11.015 -3.296 1.00 0.00 H new ATOM 741 N GLY A 53 10.294 -14.764 3.166 1.00 0.00 N ATOM 742 CA GLY A 53 10.164 -14.918 4.605 1.00 0.00 C ATOM 743 C GLY A 53 9.012 -14.069 5.146 1.00 0.00 C ATOM 744 O GLY A 53 8.242 -13.498 4.375 1.00 0.00 O ATOM 0 H GLY A 53 9.577 -15.241 2.620 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.993 -15.967 4.848 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.095 -14.626 5.091 1.00 0.00 H new ATOM 748 N THR A 54 8.929 -14.013 6.467 1.00 0.00 N ATOM 749 CA THR A 54 7.884 -13.243 7.120 1.00 0.00 C ATOM 750 C THR A 54 8.057 -11.752 6.825 1.00 0.00 C ATOM 751 O THR A 54 7.178 -10.949 7.132 1.00 0.00 O ATOM 752 CB THR A 54 7.915 -13.575 8.613 1.00 0.00 C ATOM 753 OG1 THR A 54 9.303 -13.697 8.912 1.00 0.00 O ATOM 754 CG2 THR A 54 7.345 -14.962 8.917 1.00 0.00 C ATOM 0 H THR A 54 9.569 -14.489 7.103 1.00 0.00 H new ATOM 0 HA THR A 54 6.899 -13.506 6.734 1.00 0.00 H new ATOM 0 HB THR A 54 7.351 -12.823 9.164 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.416 -13.910 9.862 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.391 -15.147 9.990 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.308 -15.010 8.584 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.930 -15.718 8.393 1.00 0.00 H new ATOM 762 N THR A 55 9.197 -11.427 6.232 1.00 0.00 N ATOM 763 CA THR A 55 9.496 -10.046 5.892 1.00 0.00 C ATOM 764 C THR A 55 9.869 -9.930 4.413 1.00 0.00 C ATOM 765 O THR A 55 11.034 -9.721 4.077 1.00 0.00 O ATOM 766 CB THR A 55 10.595 -9.554 6.836 1.00 0.00 C ATOM 767 OG1 THR A 55 11.580 -10.584 6.789 1.00 0.00 O ATOM 768 CG2 THR A 55 10.146 -9.536 8.299 1.00 0.00 C ATOM 0 H THR A 55 9.924 -12.096 5.979 1.00 0.00 H new ATOM 0 HA THR A 55 8.623 -9.408 6.026 1.00 0.00 H new ATOM 0 HB THR A 55 10.906 -8.553 6.539 1.00 0.00 H new ATOM 0 HG1 THR A 55 11.868 -10.720 5.862 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.963 -9.179 8.926 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.288 -8.872 8.408 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.866 -10.544 8.606 1.00 0.00 H new ATOM 776 N PRO A 56 8.831 -10.073 3.546 1.00 0.00 N ATOM 777 CA PRO A 56 9.038 -9.986 2.110 1.00 0.00 C ATOM 778 C PRO A 56 9.248 -8.535 1.673 1.00 0.00 C ATOM 779 O PRO A 56 8.476 -7.653 2.047 1.00 0.00 O ATOM 780 CB PRO A 56 7.800 -10.619 1.496 1.00 0.00 C ATOM 781 CG PRO A 56 6.743 -10.615 2.588 1.00 0.00 C ATOM 782 CD PRO A 56 7.438 -10.321 3.908 1.00 0.00 C ATOM 0 HA PRO A 56 9.939 -10.505 1.782 1.00 0.00 H new ATOM 0 HB2 PRO A 56 7.464 -10.055 0.626 1.00 0.00 H new ATOM 0 HB3 PRO A 56 8.008 -11.634 1.158 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.983 -9.862 2.381 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.234 -11.578 2.631 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.997 -9.456 4.403 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.351 -11.161 4.597 1.00 0.00 H new ATOM 790 N GLU A 57 10.295 -8.333 0.888 1.00 0.00 N ATOM 791 CA GLU A 57 10.616 -7.004 0.396 1.00 0.00 C ATOM 792 C GLU A 57 10.307 -6.902 -1.099 1.00 0.00 C ATOM 793 O GLU A 57 10.788 -7.710 -1.892 1.00 0.00 O ATOM 794 CB GLU A 57 12.078 -6.653 0.679 1.00 0.00 C ATOM 795 CG GLU A 57 12.346 -6.591 2.184 1.00 0.00 C ATOM 796 CD GLU A 57 12.618 -7.986 2.751 1.00 0.00 C ATOM 797 OE1 GLU A 57 12.623 -8.937 1.939 1.00 0.00 O ATOM 798 OE2 GLU A 57 12.815 -8.070 3.982 1.00 0.00 O ATOM 0 H GLU A 57 10.932 -9.067 0.580 1.00 0.00 H new ATOM 0 HA GLU A 57 9.994 -6.282 0.925 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.730 -7.397 0.220 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.320 -5.693 0.223 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.200 -5.943 2.378 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.489 -6.149 2.692 1.00 0.00 H new ATOM 805 N TRP A 58 9.507 -5.903 -1.438 1.00 0.00 N ATOM 806 CA TRP A 58 9.128 -5.685 -2.824 1.00 0.00 C ATOM 807 C TRP A 58 9.928 -4.492 -3.351 1.00 0.00 C ATOM 808 O TRP A 58 10.494 -4.553 -4.442 1.00 0.00 O ATOM 809 CB TRP A 58 7.615 -5.495 -2.956 1.00 0.00 C ATOM 810 CG TRP A 58 6.807 -6.779 -2.755 1.00 0.00 C ATOM 811 CD1 TRP A 58 6.578 -7.756 -3.642 1.00 0.00 C ATOM 812 CD2 TRP A 58 6.127 -7.187 -1.549 1.00 0.00 C ATOM 813 NE1 TRP A 58 5.802 -8.761 -3.099 1.00 0.00 N ATOM 814 CE2 TRP A 58 5.519 -8.403 -1.786 1.00 0.00 C ATOM 815 CE3 TRP A 58 6.028 -6.549 -0.300 1.00 0.00 C ATOM 816 CZ2 TRP A 58 4.771 -9.086 -0.820 1.00 0.00 C ATOM 817 CZ3 TRP A 58 5.276 -7.245 0.654 1.00 0.00 C ATOM 818 CH2 TRP A 58 4.659 -8.470 0.432 1.00 0.00 C ATOM 0 H TRP A 58 9.110 -5.235 -0.777 1.00 0.00 H new ATOM 0 HA TRP A 58 9.366 -6.559 -3.430 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.287 -4.754 -2.227 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.395 -5.090 -3.944 1.00 0.00 H new ATOM 0 HD1 TRP A 58 6.953 -7.758 -4.655 1.00 0.00 H new ATOM 0 HE1 TRP A 58 5.493 -9.609 -3.574 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.495 -5.597 -0.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.305 -10.038 -1.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 5.168 -6.798 1.631 1.00 0.00 H new ATOM 0 HH2 TRP A 58 4.096 -8.945 1.222 1.00 0.00 H new ATOM 829 N ASN A 59 9.950 -3.435 -2.552 1.00 0.00 N ATOM 830 CA ASN A 59 10.671 -2.230 -2.925 1.00 0.00 C ATOM 831 C ASN A 59 10.196 -1.762 -4.302 1.00 0.00 C ATOM 832 O ASN A 59 10.984 -1.239 -5.089 1.00 0.00 O ATOM 833 CB ASN A 59 12.176 -2.493 -3.008 1.00 0.00 C ATOM 834 CG ASN A 59 12.586 -3.635 -2.076 1.00 0.00 C ATOM 835 OD1 ASN A 59 12.871 -4.744 -2.498 1.00 0.00 O ATOM 836 ND2 ASN A 59 12.599 -3.304 -0.788 1.00 0.00 N ATOM 0 H ASN A 59 9.480 -3.388 -1.648 1.00 0.00 H new ATOM 0 HA ASN A 59 10.478 -1.473 -2.165 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.449 -2.740 -4.034 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.722 -1.588 -2.742 1.00 0.00 H new ATOM 0 HD21 ASN A 59 12.859 -3.997 -0.086 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.349 -2.357 -0.502 1.00 0.00 H new ATOM 843 N GLU A 60 8.911 -1.966 -4.550 1.00 0.00 N ATOM 844 CA GLU A 60 8.322 -1.571 -5.818 1.00 0.00 C ATOM 845 C GLU A 60 7.919 -0.095 -5.779 1.00 0.00 C ATOM 846 O GLU A 60 8.152 0.590 -4.785 1.00 0.00 O ATOM 847 CB GLU A 60 7.124 -2.457 -6.166 1.00 0.00 C ATOM 848 CG GLU A 60 7.536 -3.590 -7.108 1.00 0.00 C ATOM 849 CD GLU A 60 7.011 -3.344 -8.524 1.00 0.00 C ATOM 850 OE1 GLU A 60 5.781 -3.474 -8.703 1.00 0.00 O ATOM 851 OE2 GLU A 60 7.851 -3.032 -9.395 1.00 0.00 O ATOM 0 H GLU A 60 8.261 -2.400 -3.894 1.00 0.00 H new ATOM 0 HA GLU A 60 9.069 -1.703 -6.600 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.699 -2.874 -5.253 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.345 -1.855 -6.634 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.623 -3.674 -7.129 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.150 -4.538 -6.733 1.00 0.00 H new ATOM 858 N THR A 61 7.322 0.351 -6.875 1.00 0.00 N ATOM 859 CA THR A 61 6.884 1.733 -6.978 1.00 0.00 C ATOM 860 C THR A 61 5.670 1.840 -7.903 1.00 0.00 C ATOM 861 O THR A 61 5.733 1.439 -9.065 1.00 0.00 O ATOM 862 CB THR A 61 8.077 2.573 -7.441 1.00 0.00 C ATOM 863 OG1 THR A 61 8.847 2.764 -6.257 1.00 0.00 O ATOM 864 CG2 THR A 61 7.670 3.989 -7.854 1.00 0.00 C ATOM 0 H THR A 61 7.132 -0.220 -7.699 1.00 0.00 H new ATOM 0 HA THR A 61 6.552 2.116 -6.013 1.00 0.00 H new ATOM 0 HB THR A 61 8.567 2.077 -8.279 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.572 2.112 -5.579 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.553 4.543 -8.174 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.956 3.937 -8.676 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.210 4.497 -7.006 1.00 0.00 H new ATOM 872 N PHE A 62 4.594 2.383 -7.354 1.00 0.00 N ATOM 873 CA PHE A 62 3.367 2.548 -8.115 1.00 0.00 C ATOM 874 C PHE A 62 2.952 4.019 -8.174 1.00 0.00 C ATOM 875 O PHE A 62 3.188 4.773 -7.231 1.00 0.00 O ATOM 876 CB PHE A 62 2.280 1.752 -7.390 1.00 0.00 C ATOM 877 CG PHE A 62 2.599 0.264 -7.233 1.00 0.00 C ATOM 878 CD1 PHE A 62 3.303 -0.170 -6.153 1.00 0.00 C ATOM 879 CD2 PHE A 62 2.178 -0.625 -8.172 1.00 0.00 C ATOM 880 CE1 PHE A 62 3.599 -1.551 -6.007 1.00 0.00 C ATOM 881 CE2 PHE A 62 2.474 -2.006 -8.025 1.00 0.00 C ATOM 882 CZ PHE A 62 3.178 -2.440 -6.946 1.00 0.00 C ATOM 0 H PHE A 62 4.546 2.715 -6.391 1.00 0.00 H new ATOM 0 HA PHE A 62 3.514 2.199 -9.137 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.124 2.186 -6.402 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.342 1.857 -7.936 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.637 0.536 -5.407 1.00 0.00 H new ATOM 0 HD2 PHE A 62 1.619 -0.281 -9.029 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.159 -1.895 -5.150 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.140 -2.712 -8.771 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.403 -3.490 -6.835 1.00 0.00 H new ATOM 892 N ILE A 63 2.342 4.385 -9.292 1.00 0.00 N ATOM 893 CA ILE A 63 1.892 5.752 -9.486 1.00 0.00 C ATOM 894 C ILE A 63 0.372 5.764 -9.663 1.00 0.00 C ATOM 895 O ILE A 63 -0.192 4.861 -10.278 1.00 0.00 O ATOM 896 CB ILE A 63 2.650 6.407 -10.642 1.00 0.00 C ATOM 897 CG1 ILE A 63 4.117 5.970 -10.653 1.00 0.00 C ATOM 898 CG2 ILE A 63 2.506 7.930 -10.600 1.00 0.00 C ATOM 899 CD1 ILE A 63 4.886 6.602 -9.491 1.00 0.00 C ATOM 0 H ILE A 63 2.149 3.758 -10.073 1.00 0.00 H new ATOM 0 HA ILE A 63 2.116 6.355 -8.606 1.00 0.00 H new ATOM 0 HB ILE A 63 2.205 6.068 -11.578 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.177 4.884 -10.586 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.579 6.257 -11.598 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.054 8.370 -11.433 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.452 8.198 -10.677 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.909 8.308 -9.660 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.925 6.275 -9.522 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.844 7.688 -9.575 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.437 6.294 -8.547 1.00 0.00 H new ATOM 911 N PHE A 64 -0.248 6.798 -9.113 1.00 0.00 N ATOM 912 CA PHE A 64 -1.691 6.940 -9.202 1.00 0.00 C ATOM 913 C PHE A 64 -2.088 8.406 -9.390 1.00 0.00 C ATOM 914 O PHE A 64 -1.352 9.308 -8.993 1.00 0.00 O ATOM 915 CB PHE A 64 -2.273 6.433 -7.881 1.00 0.00 C ATOM 916 CG PHE A 64 -2.131 4.923 -7.677 1.00 0.00 C ATOM 917 CD1 PHE A 64 -2.903 4.064 -8.395 1.00 0.00 C ATOM 918 CD2 PHE A 64 -1.232 4.439 -6.778 1.00 0.00 C ATOM 919 CE1 PHE A 64 -2.771 2.663 -8.207 1.00 0.00 C ATOM 920 CE2 PHE A 64 -1.100 3.038 -6.589 1.00 0.00 C ATOM 921 CZ PHE A 64 -1.873 2.180 -7.308 1.00 0.00 C ATOM 0 H PHE A 64 0.223 7.546 -8.604 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.067 6.377 -10.056 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.780 6.949 -7.057 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.329 6.698 -7.836 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.617 4.448 -9.109 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.618 5.121 -6.208 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.384 1.981 -8.778 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.387 2.654 -5.875 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.773 1.114 -7.164 1.00 0.00 H new ATOM 931 N THR A 65 -3.250 8.597 -9.997 1.00 0.00 N ATOM 932 CA THR A 65 -3.753 9.938 -10.243 1.00 0.00 C ATOM 933 C THR A 65 -4.677 10.378 -9.105 1.00 0.00 C ATOM 934 O THR A 65 -5.600 9.655 -8.736 1.00 0.00 O ATOM 935 CB THR A 65 -4.433 9.943 -11.614 1.00 0.00 C ATOM 936 OG1 THR A 65 -3.356 10.098 -12.535 1.00 0.00 O ATOM 937 CG2 THR A 65 -5.294 11.189 -11.835 1.00 0.00 C ATOM 0 H THR A 65 -3.857 7.846 -10.326 1.00 0.00 H new ATOM 0 HA THR A 65 -2.943 10.667 -10.263 1.00 0.00 H new ATOM 0 HB THR A 65 -5.051 9.051 -11.716 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.707 10.110 -13.450 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.754 11.143 -12.822 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.073 11.233 -11.074 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.669 12.080 -11.767 1.00 0.00 H new ATOM 945 N VAL A 66 -4.394 11.562 -8.582 1.00 0.00 N ATOM 946 CA VAL A 66 -5.188 12.108 -7.494 1.00 0.00 C ATOM 947 C VAL A 66 -5.923 13.358 -7.981 1.00 0.00 C ATOM 948 O VAL A 66 -5.430 14.071 -8.854 1.00 0.00 O ATOM 949 CB VAL A 66 -4.297 12.374 -6.278 1.00 0.00 C ATOM 950 CG1 VAL A 66 -5.132 12.798 -5.069 1.00 0.00 C ATOM 951 CG2 VAL A 66 -3.438 11.151 -5.950 1.00 0.00 C ATOM 0 H VAL A 66 -3.626 12.158 -8.891 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.944 11.390 -7.176 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.627 13.197 -6.527 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.475 12.981 -4.219 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.680 13.710 -5.307 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.838 12.006 -4.818 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.814 11.366 -5.082 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.084 10.301 -5.731 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.803 10.913 -6.803 1.00 0.00 H new ATOM 961 N SER A 67 -7.090 13.585 -7.396 1.00 0.00 N ATOM 962 CA SER A 67 -7.898 14.737 -7.760 1.00 0.00 C ATOM 963 C SER A 67 -8.843 15.097 -6.612 1.00 0.00 C ATOM 964 O SER A 67 -8.604 16.060 -5.886 1.00 0.00 O ATOM 965 CB SER A 67 -8.694 14.469 -9.039 1.00 0.00 C ATOM 966 OG SER A 67 -9.902 15.223 -9.083 1.00 0.00 O ATOM 0 H SER A 67 -7.495 12.991 -6.673 1.00 0.00 H new ATOM 0 HA SER A 67 -7.230 15.577 -7.949 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.081 14.715 -9.906 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.927 13.406 -9.105 1.00 0.00 H new ATOM 0 HG SER A 67 -10.381 15.026 -9.915 1.00 0.00 H new ATOM 972 N GLU A 68 -9.896 14.303 -6.484 1.00 0.00 N ATOM 973 CA GLU A 68 -10.878 14.526 -5.436 1.00 0.00 C ATOM 974 C GLU A 68 -11.423 13.190 -4.926 1.00 0.00 C ATOM 975 O GLU A 68 -11.565 12.239 -5.694 1.00 0.00 O ATOM 976 CB GLU A 68 -12.011 15.427 -5.930 1.00 0.00 C ATOM 977 CG GLU A 68 -13.076 14.614 -6.669 1.00 0.00 C ATOM 978 CD GLU A 68 -14.193 15.520 -7.192 1.00 0.00 C ATOM 979 OE1 GLU A 68 -15.145 15.753 -6.415 1.00 0.00 O ATOM 980 OE2 GLU A 68 -14.070 15.958 -8.356 1.00 0.00 O ATOM 0 H GLU A 68 -10.091 13.505 -7.088 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.387 15.036 -4.607 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.465 15.943 -5.084 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.608 16.193 -6.593 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.618 14.079 -7.501 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.495 13.863 -5.999 1.00 0.00 H new ATOM 987 N GLY A 69 -11.713 13.160 -3.634 1.00 0.00 N ATOM 988 CA GLY A 69 -12.238 11.956 -3.012 1.00 0.00 C ATOM 989 C GLY A 69 -11.106 11.027 -2.572 1.00 0.00 C ATOM 990 O GLY A 69 -10.998 10.688 -1.395 1.00 0.00 O ATOM 0 H GLY A 69 -11.594 13.950 -3.000 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.848 12.225 -2.150 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.889 11.434 -3.714 1.00 0.00 H new ATOM 994 N THR A 70 -10.289 10.641 -3.542 1.00 0.00 N ATOM 995 CA THR A 70 -9.168 9.758 -3.269 1.00 0.00 C ATOM 996 C THR A 70 -8.092 10.493 -2.468 1.00 0.00 C ATOM 997 O THR A 70 -7.364 11.321 -3.013 1.00 0.00 O ATOM 998 CB THR A 70 -8.662 9.210 -4.605 1.00 0.00 C ATOM 999 OG1 THR A 70 -9.682 8.303 -5.016 1.00 0.00 O ATOM 1000 CG2 THR A 70 -7.422 8.328 -4.444 1.00 0.00 C ATOM 0 H THR A 70 -10.381 10.924 -4.518 1.00 0.00 H new ATOM 0 HA THR A 70 -9.471 8.915 -2.648 1.00 0.00 H new ATOM 0 HB THR A 70 -8.433 10.039 -5.275 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.285 7.585 -5.552 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.104 7.965 -5.421 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.618 8.910 -3.994 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.660 7.480 -3.802 1.00 0.00 H new ATOM 1008 N THR A 71 -8.026 10.164 -1.186 1.00 0.00 N ATOM 1009 CA THR A 71 -7.051 10.783 -0.304 1.00 0.00 C ATOM 1010 C THR A 71 -6.317 9.717 0.511 1.00 0.00 C ATOM 1011 O THR A 71 -5.627 10.036 1.478 1.00 0.00 O ATOM 1012 CB THR A 71 -7.782 11.813 0.561 1.00 0.00 C ATOM 1013 OG1 THR A 71 -8.908 11.102 1.069 1.00 0.00 O ATOM 1014 CG2 THR A 71 -8.397 12.942 -0.268 1.00 0.00 C ATOM 0 H THR A 71 -8.632 9.477 -0.737 1.00 0.00 H new ATOM 0 HA THR A 71 -6.279 11.303 -0.871 1.00 0.00 H new ATOM 0 HB THR A 71 -7.089 12.234 1.289 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.438 11.695 1.642 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.903 13.645 0.394 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.611 13.461 -0.816 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.116 12.525 -0.973 1.00 0.00 H new ATOM 1022 N GLU A 72 -6.491 8.473 0.091 1.00 0.00 N ATOM 1023 CA GLU A 72 -5.854 7.357 0.770 1.00 0.00 C ATOM 1024 C GLU A 72 -5.641 6.195 -0.202 1.00 0.00 C ATOM 1025 O GLU A 72 -6.374 6.058 -1.180 1.00 0.00 O ATOM 1026 CB GLU A 72 -6.673 6.913 1.984 1.00 0.00 C ATOM 1027 CG GLU A 72 -7.702 5.851 1.592 1.00 0.00 C ATOM 1028 CD GLU A 72 -9.010 6.044 2.362 1.00 0.00 C ATOM 1029 OE1 GLU A 72 -9.113 5.457 3.461 1.00 0.00 O ATOM 1030 OE2 GLU A 72 -9.877 6.774 1.835 1.00 0.00 O ATOM 0 H GLU A 72 -7.064 8.213 -0.712 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.880 7.686 1.131 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.008 6.515 2.750 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.181 7.774 2.419 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.895 5.905 0.521 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.300 4.858 1.794 1.00 0.00 H new ATOM 1037 N LEU A 73 -4.634 5.389 0.101 1.00 0.00 N ATOM 1038 CA LEU A 73 -4.316 4.243 -0.734 1.00 0.00 C ATOM 1039 C LEU A 73 -4.604 2.956 0.042 1.00 0.00 C ATOM 1040 O LEU A 73 -4.323 2.872 1.236 1.00 0.00 O ATOM 1041 CB LEU A 73 -2.879 4.341 -1.252 1.00 0.00 C ATOM 1042 CG LEU A 73 -2.386 3.158 -2.089 1.00 0.00 C ATOM 1043 CD1 LEU A 73 -2.576 3.427 -3.583 1.00 0.00 C ATOM 1044 CD2 LEU A 73 -0.935 2.813 -1.748 1.00 0.00 C ATOM 0 H LEU A 73 -4.028 5.507 0.913 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.950 4.229 -1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.791 5.247 -1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.213 4.459 -0.397 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.991 2.286 -1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.218 2.571 -4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.634 3.586 -3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.012 4.315 -3.867 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.609 1.969 -2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.299 3.674 -1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.862 2.549 -0.693 1.00 0.00 H new ATOM 1056 N LYS A 74 -5.160 1.986 -0.669 1.00 0.00 N ATOM 1057 CA LYS A 74 -5.488 0.708 -0.063 1.00 0.00 C ATOM 1058 C LYS A 74 -4.469 -0.341 -0.510 1.00 0.00 C ATOM 1059 O LYS A 74 -4.226 -0.506 -1.705 1.00 0.00 O ATOM 1060 CB LYS A 74 -6.938 0.327 -0.369 1.00 0.00 C ATOM 1061 CG LYS A 74 -7.848 0.628 0.824 1.00 0.00 C ATOM 1062 CD LYS A 74 -7.913 2.131 1.098 1.00 0.00 C ATOM 1063 CE LYS A 74 -9.342 2.656 0.940 1.00 0.00 C ATOM 1064 NZ LYS A 74 -9.680 2.819 -0.491 1.00 0.00 N ATOM 0 H LYS A 74 -5.392 2.060 -1.660 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.422 0.773 1.023 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.285 0.877 -1.244 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.995 -0.733 -0.616 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.850 0.247 0.627 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.478 0.109 1.708 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.556 2.336 2.107 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.250 2.658 0.412 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.043 1.965 1.409 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.443 3.611 1.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.653 3.176 -0.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.022 3.495 -0.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.603 1.900 -0.973 1.00 0.00 H new ATOM 1078 N ALA A 75 -3.900 -1.024 0.472 1.00 0.00 N ATOM 1079 CA ALA A 75 -2.912 -2.053 0.195 1.00 0.00 C ATOM 1080 C ALA A 75 -3.393 -3.385 0.773 1.00 0.00 C ATOM 1081 O ALA A 75 -3.510 -3.532 1.989 1.00 0.00 O ATOM 1082 CB ALA A 75 -1.557 -1.627 0.762 1.00 0.00 C ATOM 0 H ALA A 75 -4.104 -0.885 1.462 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.788 -2.186 -0.880 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.816 -2.399 0.554 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.246 -0.691 0.297 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.641 -1.486 1.840 1.00 0.00 H new ATOM 1088 N LYS A 76 -3.659 -4.322 -0.125 1.00 0.00 N ATOM 1089 CA LYS A 76 -4.125 -5.637 0.281 1.00 0.00 C ATOM 1090 C LYS A 76 -3.105 -6.692 -0.155 1.00 0.00 C ATOM 1091 O LYS A 76 -2.532 -6.596 -1.239 1.00 0.00 O ATOM 1092 CB LYS A 76 -5.537 -5.893 -0.249 1.00 0.00 C ATOM 1093 CG LYS A 76 -6.592 -5.331 0.707 1.00 0.00 C ATOM 1094 CD LYS A 76 -7.957 -5.975 0.458 1.00 0.00 C ATOM 1095 CE LYS A 76 -8.853 -5.855 1.692 1.00 0.00 C ATOM 1096 NZ LYS A 76 -9.917 -4.852 1.465 1.00 0.00 N ATOM 0 H LYS A 76 -3.561 -4.197 -1.132 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.201 -5.695 1.367 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.649 -5.434 -1.231 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.692 -6.964 -0.378 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.285 -5.508 1.738 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.666 -4.251 0.578 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.439 -5.496 -0.394 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.826 -7.026 0.200 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.300 -6.823 1.919 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.254 -5.569 2.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.516 -4.783 2.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.485 -3.926 1.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.499 -5.141 0.653 1.00 0.00 H new ATOM 1110 N ILE A 77 -2.910 -7.674 0.713 1.00 0.00 N ATOM 1111 CA ILE A 77 -1.969 -8.745 0.432 1.00 0.00 C ATOM 1112 C ILE A 77 -2.726 -10.071 0.340 1.00 0.00 C ATOM 1113 O ILE A 77 -3.751 -10.252 0.996 1.00 0.00 O ATOM 1114 CB ILE A 77 -0.840 -8.751 1.464 1.00 0.00 C ATOM 1115 CG1 ILE A 77 -0.203 -7.366 1.588 1.00 0.00 C ATOM 1116 CG2 ILE A 77 0.194 -9.831 1.139 1.00 0.00 C ATOM 1117 CD1 ILE A 77 -0.859 -6.559 2.711 1.00 0.00 C ATOM 0 H ILE A 77 -3.388 -7.750 1.611 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.486 -8.585 -0.532 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.267 -8.997 2.436 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.864 -7.469 1.785 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.303 -6.830 0.644 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.986 -9.814 1.888 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.288 -10.809 1.143 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.622 -9.641 0.155 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.387 -5.579 2.778 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.921 -6.437 2.499 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.736 -7.086 3.657 1.00 0.00 H new ATOM 1129 N PHE A 78 -2.192 -10.966 -0.478 1.00 0.00 N ATOM 1130 CA PHE A 78 -2.804 -12.270 -0.664 1.00 0.00 C ATOM 1131 C PHE A 78 -1.744 -13.339 -0.942 1.00 0.00 C ATOM 1132 O PHE A 78 -0.591 -13.194 -0.539 1.00 0.00 O ATOM 1133 CB PHE A 78 -3.730 -12.161 -1.877 1.00 0.00 C ATOM 1134 CG PHE A 78 -4.663 -10.948 -1.840 1.00 0.00 C ATOM 1135 CD1 PHE A 78 -4.160 -9.698 -2.022 1.00 0.00 C ATOM 1136 CD2 PHE A 78 -5.995 -11.121 -1.625 1.00 0.00 C ATOM 1137 CE1 PHE A 78 -5.026 -8.573 -1.987 1.00 0.00 C ATOM 1138 CE2 PHE A 78 -6.860 -9.996 -1.590 1.00 0.00 C ATOM 1139 CZ PHE A 78 -6.357 -8.745 -1.772 1.00 0.00 C ATOM 0 H PHE A 78 -1.341 -10.813 -1.020 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.345 -12.558 0.237 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.123 -12.113 -2.781 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.332 -13.067 -1.945 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.103 -9.561 -2.193 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -6.394 -12.114 -1.481 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -4.627 -7.580 -2.131 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -7.918 -10.133 -1.419 1.00 0.00 H new ATOM 0 HZ PHE A 78 -7.015 -7.889 -1.746 1.00 0.00 H new ATOM 1149 N ASP A 79 -2.173 -14.387 -1.629 1.00 0.00 N ATOM 1150 CA ASP A 79 -1.276 -15.480 -1.965 1.00 0.00 C ATOM 1151 C ASP A 79 -1.227 -15.644 -3.485 1.00 0.00 C ATOM 1152 O ASP A 79 -2.259 -15.588 -4.153 1.00 0.00 O ATOM 1153 CB ASP A 79 -1.763 -16.798 -1.362 1.00 0.00 C ATOM 1154 CG ASP A 79 -0.757 -17.950 -1.427 1.00 0.00 C ATOM 1155 OD1 ASP A 79 0.285 -17.831 -0.747 1.00 0.00 O ATOM 1156 OD2 ASP A 79 -1.054 -18.922 -2.154 1.00 0.00 O ATOM 0 H ASP A 79 -3.130 -14.503 -1.962 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.291 -15.243 -1.564 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.029 -16.627 -0.319 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.674 -17.102 -1.878 1.00 0.00 H new ATOM 1161 N LYS A 80 -0.018 -15.844 -3.989 1.00 0.00 N ATOM 1162 CA LYS A 80 0.178 -16.018 -5.418 1.00 0.00 C ATOM 1163 C LYS A 80 -0.870 -16.992 -5.958 1.00 0.00 C ATOM 1164 O LYS A 80 -1.262 -16.906 -7.121 1.00 0.00 O ATOM 1165 CB LYS A 80 1.619 -16.439 -5.713 1.00 0.00 C ATOM 1166 CG LYS A 80 1.852 -17.902 -5.331 1.00 0.00 C ATOM 1167 CD LYS A 80 2.676 -18.624 -6.399 1.00 0.00 C ATOM 1168 CE LYS A 80 4.156 -18.666 -6.014 1.00 0.00 C ATOM 1169 NZ LYS A 80 4.512 -19.995 -5.469 1.00 0.00 N ATOM 0 H LYS A 80 0.836 -15.889 -3.433 1.00 0.00 H new ATOM 0 HA LYS A 80 0.033 -15.072 -5.940 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.833 -16.297 -6.772 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.308 -15.801 -5.160 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.368 -17.953 -4.372 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.894 -18.405 -5.204 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.301 -19.639 -6.528 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.560 -18.117 -7.357 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.771 -18.448 -6.887 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.367 -17.894 -5.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.520 -20.006 -5.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.938 -20.189 -4.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.329 -20.725 -6.187 1.00 0.00 H new ATOM 1183 N ASP A 81 -1.295 -17.896 -5.088 1.00 0.00 N ATOM 1184 CA ASP A 81 -2.291 -18.886 -5.463 1.00 0.00 C ATOM 1185 C ASP A 81 -3.664 -18.437 -4.960 1.00 0.00 C ATOM 1186 O ASP A 81 -4.446 -19.250 -4.471 1.00 0.00 O ATOM 1187 CB ASP A 81 -1.979 -20.246 -4.836 1.00 0.00 C ATOM 1188 CG ASP A 81 -2.348 -21.455 -5.697 1.00 0.00 C ATOM 1189 OD1 ASP A 81 -2.248 -21.322 -6.936 1.00 0.00 O ATOM 1190 OD2 ASP A 81 -2.723 -22.486 -5.098 1.00 0.00 O ATOM 0 H ASP A 81 -0.968 -17.964 -4.124 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.282 -18.979 -6.549 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.913 -20.290 -4.612 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.508 -20.321 -3.886 1.00 0.00 H new ATOM 1195 N VAL A 82 -3.916 -17.143 -5.099 1.00 0.00 N ATOM 1196 CA VAL A 82 -5.181 -16.577 -4.665 1.00 0.00 C ATOM 1197 C VAL A 82 -5.496 -15.339 -5.507 1.00 0.00 C ATOM 1198 O VAL A 82 -4.588 -14.631 -5.941 1.00 0.00 O ATOM 1199 CB VAL A 82 -5.135 -16.283 -3.164 1.00 0.00 C ATOM 1200 CG1 VAL A 82 -6.339 -15.443 -2.733 1.00 0.00 C ATOM 1201 CG2 VAL A 82 -5.052 -17.578 -2.354 1.00 0.00 C ATOM 0 H VAL A 82 -3.265 -16.471 -5.506 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.991 -17.290 -4.819 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.233 -15.704 -2.963 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.282 -15.248 -1.662 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.335 -14.497 -3.275 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -7.259 -15.984 -2.955 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.021 -17.341 -1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.927 -18.194 -2.563 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.150 -18.123 -2.631 1.00 0.00 H new ATOM 1211 N GLY A 83 -6.786 -15.115 -5.713 1.00 0.00 N ATOM 1212 CA GLY A 83 -7.232 -13.975 -6.495 1.00 0.00 C ATOM 1213 C GLY A 83 -7.517 -12.770 -5.596 1.00 0.00 C ATOM 1214 O GLY A 83 -8.074 -12.920 -4.510 1.00 0.00 O ATOM 0 H GLY A 83 -7.536 -15.704 -5.352 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.470 -13.713 -7.229 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.132 -14.240 -7.050 1.00 0.00 H new ATOM 1218 N THR A 84 -7.121 -11.603 -6.082 1.00 0.00 N ATOM 1219 CA THR A 84 -7.327 -10.373 -5.336 1.00 0.00 C ATOM 1220 C THR A 84 -8.653 -10.427 -4.574 1.00 0.00 C ATOM 1221 O THR A 84 -8.749 -9.930 -3.453 1.00 0.00 O ATOM 1222 CB THR A 84 -7.238 -9.204 -6.318 1.00 0.00 C ATOM 1223 OG1 THR A 84 -7.995 -9.638 -7.444 1.00 0.00 O ATOM 1224 CG2 THR A 84 -5.825 -9.011 -6.872 1.00 0.00 C ATOM 0 H THR A 84 -6.659 -11.483 -6.983 1.00 0.00 H new ATOM 0 HA THR A 84 -6.557 -10.238 -4.576 1.00 0.00 H new ATOM 0 HB THR A 84 -7.562 -8.289 -5.823 1.00 0.00 H new ATOM 0 HG1 THR A 84 -7.991 -8.938 -8.130 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.817 -8.169 -7.564 1.00 0.00 H new ATOM 0 HG22 THR A 84 -5.136 -8.812 -6.051 1.00 0.00 H new ATOM 0 HG23 THR A 84 -5.513 -9.914 -7.397 1.00 0.00 H new ATOM 1232 N GLU A 85 -9.641 -11.036 -5.213 1.00 0.00 N ATOM 1233 CA GLU A 85 -10.957 -11.162 -4.609 1.00 0.00 C ATOM 1234 C GLU A 85 -11.235 -12.620 -4.242 1.00 0.00 C ATOM 1235 O GLU A 85 -12.157 -13.234 -4.778 1.00 0.00 O ATOM 1236 CB GLU A 85 -12.041 -10.614 -5.539 1.00 0.00 C ATOM 1237 CG GLU A 85 -11.716 -10.922 -7.002 1.00 0.00 C ATOM 1238 CD GLU A 85 -12.955 -10.760 -7.885 1.00 0.00 C ATOM 1239 OE1 GLU A 85 -13.235 -9.603 -8.264 1.00 0.00 O ATOM 1240 OE2 GLU A 85 -13.594 -11.798 -8.161 1.00 0.00 O ATOM 0 H GLU A 85 -9.557 -11.447 -6.143 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.975 -10.569 -3.695 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -13.005 -11.051 -5.277 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.132 -9.536 -5.402 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -10.927 -10.256 -7.351 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.335 -11.940 -7.087 1.00 0.00 H new ATOM 1247 N ASP A 86 -10.422 -13.134 -3.331 1.00 0.00 N ATOM 1248 CA ASP A 86 -10.569 -14.509 -2.886 1.00 0.00 C ATOM 1249 C ASP A 86 -10.324 -14.581 -1.377 1.00 0.00 C ATOM 1250 O ASP A 86 -11.149 -15.112 -0.635 1.00 0.00 O ATOM 1251 CB ASP A 86 -9.553 -15.423 -3.575 1.00 0.00 C ATOM 1252 CG ASP A 86 -9.467 -16.840 -3.005 1.00 0.00 C ATOM 1253 OD1 ASP A 86 -9.264 -16.946 -1.776 1.00 0.00 O ATOM 1254 OD2 ASP A 86 -9.608 -17.785 -3.810 1.00 0.00 O ATOM 0 H ASP A 86 -9.659 -12.622 -2.889 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.577 -14.839 -3.136 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.805 -15.488 -4.634 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.568 -14.961 -3.509 1.00 0.00 H new ATOM 1259 N ASP A 87 -9.185 -14.040 -0.969 1.00 0.00 N ATOM 1260 CA ASP A 87 -8.821 -14.037 0.438 1.00 0.00 C ATOM 1261 C ASP A 87 -7.491 -13.300 0.614 1.00 0.00 C ATOM 1262 O ASP A 87 -6.443 -13.797 0.204 1.00 0.00 O ATOM 1263 CB ASP A 87 -8.644 -15.463 0.965 1.00 0.00 C ATOM 1264 CG ASP A 87 -9.062 -15.670 2.422 1.00 0.00 C ATOM 1265 OD1 ASP A 87 -9.100 -14.655 3.151 1.00 0.00 O ATOM 1266 OD2 ASP A 87 -9.333 -16.838 2.774 1.00 0.00 O ATOM 0 H ASP A 87 -8.503 -13.601 -1.587 1.00 0.00 H new ATOM 0 HA ASP A 87 -9.620 -13.545 0.992 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.222 -16.141 0.337 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.597 -15.746 0.859 1.00 0.00 H new ATOM 1271 N ALA A 88 -7.578 -12.127 1.224 1.00 0.00 N ATOM 1272 CA ALA A 88 -6.395 -11.317 1.459 1.00 0.00 C ATOM 1273 C ALA A 88 -5.752 -11.734 2.784 1.00 0.00 C ATOM 1274 O ALA A 88 -6.444 -11.920 3.783 1.00 0.00 O ATOM 1275 CB ALA A 88 -6.778 -9.836 1.438 1.00 0.00 C ATOM 0 H ALA A 88 -8.449 -11.718 1.562 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.659 -11.475 0.671 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.891 -9.228 1.614 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.203 -9.584 0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.513 -9.639 2.218 1.00 0.00 H new ATOM 1281 N VAL A 89 -4.434 -11.869 2.748 1.00 0.00 N ATOM 1282 CA VAL A 89 -3.690 -12.260 3.933 1.00 0.00 C ATOM 1283 C VAL A 89 -3.681 -11.101 4.931 1.00 0.00 C ATOM 1284 O VAL A 89 -3.721 -11.318 6.141 1.00 0.00 O ATOM 1285 CB VAL A 89 -2.285 -12.721 3.539 1.00 0.00 C ATOM 1286 CG1 VAL A 89 -2.310 -14.148 2.988 1.00 0.00 C ATOM 1287 CG2 VAL A 89 -1.652 -11.756 2.535 1.00 0.00 C ATOM 0 H VAL A 89 -3.863 -11.715 1.917 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.170 -13.106 4.424 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.668 -12.720 4.438 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.299 -14.451 2.716 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.699 -14.825 3.749 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.950 -14.186 2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.654 -12.107 2.272 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.268 -11.709 1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.582 -10.763 2.979 1.00 0.00 H new ATOM 1297 N GLY A 90 -3.629 -9.894 4.387 1.00 0.00 N ATOM 1298 CA GLY A 90 -3.615 -8.700 5.214 1.00 0.00 C ATOM 1299 C GLY A 90 -3.811 -7.442 4.365 1.00 0.00 C ATOM 1300 O GLY A 90 -3.678 -7.487 3.143 1.00 0.00 O ATOM 0 H GLY A 90 -3.596 -9.718 3.383 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.404 -8.763 5.964 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.669 -8.637 5.751 1.00 0.00 H new ATOM 1304 N GLU A 91 -4.124 -6.350 5.047 1.00 0.00 N ATOM 1305 CA GLU A 91 -4.339 -5.082 4.371 1.00 0.00 C ATOM 1306 C GLU A 91 -3.847 -3.925 5.242 1.00 0.00 C ATOM 1307 O GLU A 91 -3.571 -4.109 6.427 1.00 0.00 O ATOM 1308 CB GLU A 91 -5.813 -4.901 4.001 1.00 0.00 C ATOM 1309 CG GLU A 91 -6.613 -4.357 5.187 1.00 0.00 C ATOM 1310 CD GLU A 91 -7.046 -2.911 4.939 1.00 0.00 C ATOM 1311 OE1 GLU A 91 -6.146 -2.089 4.659 1.00 0.00 O ATOM 1312 OE2 GLU A 91 -8.266 -2.660 5.036 1.00 0.00 O ATOM 0 H GLU A 91 -4.234 -6.317 6.061 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.763 -5.084 3.446 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.898 -4.218 3.156 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.232 -5.856 3.682 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.492 -4.980 5.354 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.009 -4.409 6.093 1.00 0.00 H new ATOM 1319 N ALA A 92 -3.751 -2.758 4.622 1.00 0.00 N ATOM 1320 CA ALA A 92 -3.296 -1.571 5.326 1.00 0.00 C ATOM 1321 C ALA A 92 -3.860 -0.327 4.637 1.00 0.00 C ATOM 1322 O ALA A 92 -4.111 -0.340 3.433 1.00 0.00 O ATOM 1323 CB ALA A 92 -1.767 -1.565 5.382 1.00 0.00 C ATOM 0 H ALA A 92 -3.981 -2.609 3.639 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.659 -1.571 6.354 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.426 -0.675 5.910 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.419 -2.454 5.907 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.366 -1.562 4.369 1.00 0.00 H new ATOM 1329 N THR A 93 -4.043 0.718 5.431 1.00 0.00 N ATOM 1330 CA THR A 93 -4.572 1.968 4.912 1.00 0.00 C ATOM 1331 C THR A 93 -3.472 3.029 4.852 1.00 0.00 C ATOM 1332 O THR A 93 -2.984 3.482 5.886 1.00 0.00 O ATOM 1333 CB THR A 93 -5.762 2.375 5.784 1.00 0.00 C ATOM 1334 OG1 THR A 93 -6.786 1.450 5.428 1.00 0.00 O ATOM 1335 CG2 THR A 93 -6.337 3.738 5.390 1.00 0.00 C ATOM 0 H THR A 93 -3.834 0.725 6.429 1.00 0.00 H new ATOM 0 HA THR A 93 -4.925 1.853 3.887 1.00 0.00 H new ATOM 0 HB THR A 93 -5.455 2.399 6.830 1.00 0.00 H new ATOM 0 HG1 THR A 93 -7.594 1.641 5.948 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.179 3.979 6.039 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.567 4.502 5.495 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.676 3.704 4.354 1.00 0.00 H new ATOM 1343 N ILE A 94 -3.113 3.394 3.630 1.00 0.00 N ATOM 1344 CA ILE A 94 -2.079 4.394 3.421 1.00 0.00 C ATOM 1345 C ILE A 94 -2.724 5.697 2.945 1.00 0.00 C ATOM 1346 O ILE A 94 -3.094 5.821 1.779 1.00 0.00 O ATOM 1347 CB ILE A 94 -1.001 3.860 2.474 1.00 0.00 C ATOM 1348 CG1 ILE A 94 -0.350 2.597 3.042 1.00 0.00 C ATOM 1349 CG2 ILE A 94 0.031 4.943 2.153 1.00 0.00 C ATOM 1350 CD1 ILE A 94 -0.516 1.416 2.084 1.00 0.00 C ATOM 0 H ILE A 94 -3.519 3.015 2.775 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.568 4.615 4.358 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.478 3.581 1.534 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.710 2.779 3.221 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -0.799 2.354 4.005 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.786 4.538 1.479 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.465 5.789 1.677 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.509 5.275 3.075 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.044 0.531 2.512 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.577 1.221 1.927 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.045 1.653 1.130 1.00 0.00 H new ATOM 1362 N PRO A 95 -2.842 6.661 3.897 1.00 0.00 N ATOM 1363 CA PRO A 95 -3.436 7.950 3.588 1.00 0.00 C ATOM 1364 C PRO A 95 -2.470 8.819 2.780 1.00 0.00 C ATOM 1365 O PRO A 95 -1.276 8.862 3.072 1.00 0.00 O ATOM 1366 CB PRO A 95 -3.792 8.553 4.937 1.00 0.00 C ATOM 1367 CG PRO A 95 -2.967 7.794 5.963 1.00 0.00 C ATOM 1368 CD PRO A 95 -2.416 6.548 5.289 1.00 0.00 C ATOM 0 HA PRO A 95 -4.322 7.865 2.959 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.562 9.618 4.962 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -4.858 8.452 5.141 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.154 8.417 6.336 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -3.581 7.523 6.822 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -1.330 6.502 5.368 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -2.808 5.642 5.751 1.00 0.00 H new ATOM 1376 N LEU A 96 -3.023 9.489 1.779 1.00 0.00 N ATOM 1377 CA LEU A 96 -2.226 10.354 0.927 1.00 0.00 C ATOM 1378 C LEU A 96 -2.402 11.807 1.374 1.00 0.00 C ATOM 1379 O LEU A 96 -1.872 12.722 0.746 1.00 0.00 O ATOM 1380 CB LEU A 96 -2.567 10.118 -0.545 1.00 0.00 C ATOM 1381 CG LEU A 96 -2.811 8.664 -0.953 1.00 0.00 C ATOM 1382 CD1 LEU A 96 -3.475 8.583 -2.329 1.00 0.00 C ATOM 1383 CD2 LEU A 96 -1.515 7.853 -0.893 1.00 0.00 C ATOM 0 H LEU A 96 -4.014 9.450 1.539 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.167 10.116 1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.458 10.697 -0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.754 10.514 -1.154 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.502 8.220 -0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.637 7.538 -2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.433 9.103 -2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.829 9.050 -3.073 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.716 6.823 -1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.782 8.288 -1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.122 7.869 0.124 1.00 0.00 H new ATOM 1395 N GLU A 97 -3.149 11.973 2.456 1.00 0.00 N ATOM 1396 CA GLU A 97 -3.402 13.298 2.994 1.00 0.00 C ATOM 1397 C GLU A 97 -2.092 13.948 3.444 1.00 0.00 C ATOM 1398 O GLU A 97 -1.884 15.142 3.236 1.00 0.00 O ATOM 1399 CB GLU A 97 -4.409 13.240 4.145 1.00 0.00 C ATOM 1400 CG GLU A 97 -5.498 14.301 3.975 1.00 0.00 C ATOM 1401 CD GLU A 97 -6.462 14.291 5.163 1.00 0.00 C ATOM 1402 OE1 GLU A 97 -6.776 13.175 5.631 1.00 0.00 O ATOM 1403 OE2 GLU A 97 -6.864 15.400 5.577 1.00 0.00 O ATOM 0 H GLU A 97 -3.587 11.211 2.974 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.837 13.912 2.205 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.864 12.250 4.185 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.893 13.392 5.093 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -5.040 15.286 3.882 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.049 14.117 3.053 1.00 0.00 H new ATOM 1410 N PRO A 98 -1.221 13.111 4.068 1.00 0.00 N ATOM 1411 CA PRO A 98 0.064 13.591 4.549 1.00 0.00 C ATOM 1412 C PRO A 98 1.040 13.800 3.390 1.00 0.00 C ATOM 1413 O PRO A 98 1.877 14.700 3.433 1.00 0.00 O ATOM 1414 CB PRO A 98 0.532 12.537 5.539 1.00 0.00 C ATOM 1415 CG PRO A 98 -0.276 11.287 5.230 1.00 0.00 C ATOM 1416 CD PRO A 98 -1.434 11.691 4.332 1.00 0.00 C ATOM 0 HA PRO A 98 -0.004 14.567 5.030 1.00 0.00 H new ATOM 0 HB2 PRO A 98 1.600 12.348 5.432 1.00 0.00 H new ATOM 0 HB3 PRO A 98 0.367 12.865 6.565 1.00 0.00 H new ATOM 0 HG2 PRO A 98 0.348 10.542 4.737 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -0.646 10.835 6.150 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -1.439 11.113 3.408 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -2.393 11.519 4.821 1.00 0.00 H new ATOM 1424 N VAL A 99 0.901 12.952 2.381 1.00 0.00 N ATOM 1425 CA VAL A 99 1.760 13.032 1.212 1.00 0.00 C ATOM 1426 C VAL A 99 1.312 14.201 0.334 1.00 0.00 C ATOM 1427 O VAL A 99 2.012 14.584 -0.602 1.00 0.00 O ATOM 1428 CB VAL A 99 1.762 11.693 0.471 1.00 0.00 C ATOM 1429 CG1 VAL A 99 0.606 11.619 -0.529 1.00 0.00 C ATOM 1430 CG2 VAL A 99 3.104 11.452 -0.222 1.00 0.00 C ATOM 0 H VAL A 99 0.206 12.206 2.349 1.00 0.00 H new ATOM 0 HA VAL A 99 2.791 13.225 1.508 1.00 0.00 H new ATOM 0 HB VAL A 99 1.619 10.902 1.207 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.630 10.658 -1.042 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.341 11.724 0.001 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.704 12.423 -1.259 1.00 0.00 H new ATOM 0 HG21 VAL A 99 3.079 10.494 -0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.290 12.249 -0.941 1.00 0.00 H new ATOM 0 HG23 VAL A 99 3.901 11.441 0.522 1.00 0.00 H new ATOM 1440 N PHE A 100 0.146 14.737 0.666 1.00 0.00 N ATOM 1441 CA PHE A 100 -0.404 15.855 -0.081 1.00 0.00 C ATOM 1442 C PHE A 100 -0.014 17.188 0.560 1.00 0.00 C ATOM 1443 O PHE A 100 0.120 18.197 -0.131 1.00 0.00 O ATOM 1444 CB PHE A 100 -1.927 15.711 -0.043 1.00 0.00 C ATOM 1445 CG PHE A 100 -2.464 14.551 -0.884 1.00 0.00 C ATOM 1446 CD1 PHE A 100 -1.622 13.847 -1.688 1.00 0.00 C ATOM 1447 CD2 PHE A 100 -3.783 14.224 -0.828 1.00 0.00 C ATOM 1448 CE1 PHE A 100 -2.120 12.770 -2.468 1.00 0.00 C ATOM 1449 CE2 PHE A 100 -4.281 13.147 -1.609 1.00 0.00 C ATOM 1450 CZ PHE A 100 -3.439 12.443 -2.412 1.00 0.00 C ATOM 0 H PHE A 100 -0.433 14.417 1.443 1.00 0.00 H new ATOM 0 HA PHE A 100 -0.019 15.847 -1.101 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.243 15.573 0.991 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.378 16.639 -0.393 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -0.575 14.107 -1.733 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -4.452 14.783 -0.190 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.451 12.211 -3.106 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.328 12.887 -1.565 1.00 0.00 H new ATOM 0 HZ PHE A 100 -3.818 11.624 -3.005 1.00 0.00 H new ATOM 1460 N VAL A 101 0.159 17.149 1.873 1.00 0.00 N ATOM 1461 CA VAL A 101 0.532 18.341 2.615 1.00 0.00 C ATOM 1462 C VAL A 101 2.056 18.406 2.735 1.00 0.00 C ATOM 1463 O VAL A 101 2.640 19.487 2.693 1.00 0.00 O ATOM 1464 CB VAL A 101 -0.177 18.357 3.971 1.00 0.00 C ATOM 1465 CG1 VAL A 101 -1.654 17.987 3.822 1.00 0.00 C ATOM 1466 CG2 VAL A 101 0.524 17.430 4.966 1.00 0.00 C ATOM 0 H VAL A 101 0.048 16.310 2.442 1.00 0.00 H new ATOM 0 HA VAL A 101 0.210 19.237 2.085 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.125 19.372 4.365 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.134 18.006 4.800 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.144 18.704 3.163 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.737 16.987 3.396 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.001 17.460 5.922 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.518 16.411 4.580 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.554 17.759 5.106 1.00 0.00 H new ATOM 1476 N GLU A 102 2.656 17.234 2.883 1.00 0.00 N ATOM 1477 CA GLU A 102 4.100 17.144 3.010 1.00 0.00 C ATOM 1478 C GLU A 102 4.755 17.130 1.628 1.00 0.00 C ATOM 1479 O GLU A 102 5.858 17.646 1.454 1.00 0.00 O ATOM 1480 CB GLU A 102 4.504 15.910 3.820 1.00 0.00 C ATOM 1481 CG GLU A 102 3.889 15.949 5.221 1.00 0.00 C ATOM 1482 CD GLU A 102 4.889 16.492 6.244 1.00 0.00 C ATOM 1483 OE1 GLU A 102 5.420 17.595 5.988 1.00 0.00 O ATOM 1484 OE2 GLU A 102 5.100 15.793 7.258 1.00 0.00 O ATOM 0 H GLU A 102 2.168 16.339 2.918 1.00 0.00 H new ATOM 0 HA GLU A 102 4.452 18.023 3.549 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.180 15.008 3.301 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.590 15.860 3.897 1.00 0.00 H new ATOM 0 HG2 GLU A 102 2.996 16.574 5.213 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.574 14.947 5.512 1.00 0.00 H new ATOM 1491 N GLY A 103 4.048 16.533 0.679 1.00 0.00 N ATOM 1492 CA GLY A 103 4.547 16.445 -0.683 1.00 0.00 C ATOM 1493 C GLY A 103 5.446 15.219 -0.859 1.00 0.00 C ATOM 1494 O GLY A 103 5.830 14.883 -1.978 1.00 0.00 O ATOM 0 H GLY A 103 3.134 16.106 0.827 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.709 16.389 -1.378 1.00 0.00 H new ATOM 0 HA3 GLY A 103 5.105 17.348 -0.929 1.00 0.00 H new ATOM 1498 N SER A 104 5.755 14.585 0.262 1.00 0.00 N ATOM 1499 CA SER A 104 6.601 13.404 0.246 1.00 0.00 C ATOM 1500 C SER A 104 6.650 12.775 1.640 1.00 0.00 C ATOM 1501 O SER A 104 6.888 13.467 2.628 1.00 0.00 O ATOM 1502 CB SER A 104 8.014 13.745 -0.232 1.00 0.00 C ATOM 1503 OG SER A 104 8.641 14.714 0.604 1.00 0.00 O ATOM 0 H SER A 104 5.434 14.867 1.188 1.00 0.00 H new ATOM 0 HA SER A 104 6.173 12.687 -0.454 1.00 0.00 H new ATOM 0 HB2 SER A 104 8.619 12.838 -0.252 1.00 0.00 H new ATOM 0 HB3 SER A 104 7.970 14.122 -1.254 1.00 0.00 H new ATOM 0 HG SER A 104 8.233 14.690 1.495 1.00 0.00 H new ATOM 1509 N ILE A 105 6.421 11.471 1.674 1.00 0.00 N ATOM 1510 CA ILE A 105 6.435 10.741 2.930 1.00 0.00 C ATOM 1511 C ILE A 105 7.417 9.572 2.825 1.00 0.00 C ATOM 1512 O ILE A 105 7.492 8.911 1.790 1.00 0.00 O ATOM 1513 CB ILE A 105 5.018 10.320 3.322 1.00 0.00 C ATOM 1514 CG1 ILE A 105 4.028 11.469 3.118 1.00 0.00 C ATOM 1515 CG2 ILE A 105 4.982 9.781 4.753 1.00 0.00 C ATOM 1516 CD1 ILE A 105 4.136 12.493 4.249 1.00 0.00 C ATOM 0 H ILE A 105 6.225 10.901 0.851 1.00 0.00 H new ATOM 0 HA ILE A 105 6.787 11.382 3.738 1.00 0.00 H new ATOM 0 HB ILE A 105 4.709 9.508 2.664 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.222 11.956 2.162 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.012 11.075 3.075 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.963 9.489 5.006 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.638 8.914 4.832 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.319 10.555 5.442 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.422 13.299 4.080 1.00 0.00 H new ATOM 0 HD12 ILE A 105 3.917 12.008 5.201 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.146 12.902 4.274 1.00 0.00 H new ATOM 1528 N PRO A 106 8.164 9.347 3.938 1.00 0.00 N ATOM 1529 CA PRO A 106 9.138 8.269 3.981 1.00 0.00 C ATOM 1530 C PRO A 106 8.447 6.912 4.127 1.00 0.00 C ATOM 1531 O PRO A 106 7.241 6.847 4.361 1.00 0.00 O ATOM 1532 CB PRO A 106 10.044 8.604 5.154 1.00 0.00 C ATOM 1533 CG PRO A 106 9.273 9.599 6.006 1.00 0.00 C ATOM 1534 CD PRO A 106 8.102 10.109 5.182 1.00 0.00 C ATOM 0 HA PRO A 106 9.716 8.186 3.060 1.00 0.00 H new ATOM 0 HB2 PRO A 106 10.290 7.709 5.725 1.00 0.00 H new ATOM 0 HB3 PRO A 106 10.986 9.032 4.810 1.00 0.00 H new ATOM 0 HG2 PRO A 106 8.918 9.124 6.921 1.00 0.00 H new ATOM 0 HG3 PRO A 106 9.918 10.425 6.305 1.00 0.00 H new ATOM 0 HD2 PRO A 106 7.155 9.949 5.698 1.00 0.00 H new ATOM 0 HD3 PRO A 106 8.186 11.180 4.995 1.00 0.00 H new ATOM 1542 N PRO A 107 9.262 5.833 3.980 1.00 0.00 N ATOM 1543 CA PRO A 107 8.743 4.481 4.093 1.00 0.00 C ATOM 1544 C PRO A 107 8.471 4.119 5.555 1.00 0.00 C ATOM 1545 O PRO A 107 9.402 3.877 6.321 1.00 0.00 O ATOM 1546 CB PRO A 107 9.799 3.598 3.449 1.00 0.00 C ATOM 1547 CG PRO A 107 11.072 4.427 3.417 1.00 0.00 C ATOM 1548 CD PRO A 107 10.695 5.872 3.702 1.00 0.00 C ATOM 0 HA PRO A 107 7.782 4.357 3.594 1.00 0.00 H new ATOM 0 HB2 PRO A 107 9.944 2.682 4.021 1.00 0.00 H new ATOM 0 HB3 PRO A 107 9.500 3.302 2.443 1.00 0.00 H new ATOM 0 HG2 PRO A 107 11.782 4.064 4.160 1.00 0.00 H new ATOM 0 HG3 PRO A 107 11.557 4.344 2.445 1.00 0.00 H new ATOM 0 HD2 PRO A 107 11.253 6.267 4.551 1.00 0.00 H new ATOM 0 HD3 PRO A 107 10.916 6.514 2.850 1.00 0.00 H new ATOM 1556 N THR A 108 7.191 4.092 5.896 1.00 0.00 N ATOM 1557 CA THR A 108 6.785 3.764 7.252 1.00 0.00 C ATOM 1558 C THR A 108 5.950 2.482 7.263 1.00 0.00 C ATOM 1559 O THR A 108 5.253 2.183 6.295 1.00 0.00 O ATOM 1560 CB THR A 108 6.048 4.973 7.831 1.00 0.00 C ATOM 1561 OG1 THR A 108 7.092 5.843 8.260 1.00 0.00 O ATOM 1562 CG2 THR A 108 5.292 4.637 9.118 1.00 0.00 C ATOM 0 H THR A 108 6.422 4.292 5.257 1.00 0.00 H new ATOM 0 HA THR A 108 7.649 3.558 7.884 1.00 0.00 H new ATOM 0 HB THR A 108 5.349 5.361 7.090 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.703 6.655 8.648 1.00 0.00 H new ATOM 0 HG21 THR A 108 4.787 5.530 9.487 1.00 0.00 H new ATOM 0 HG22 THR A 108 4.555 3.861 8.915 1.00 0.00 H new ATOM 0 HG23 THR A 108 5.995 4.281 9.871 1.00 0.00 H new ATOM 1570 N ALA A 109 6.049 1.759 8.369 1.00 0.00 N ATOM 1571 CA ALA A 109 5.312 0.515 8.518 1.00 0.00 C ATOM 1572 C ALA A 109 3.877 0.827 8.950 1.00 0.00 C ATOM 1573 O ALA A 109 3.630 1.141 10.113 1.00 0.00 O ATOM 1574 CB ALA A 109 6.036 -0.391 9.515 1.00 0.00 C ATOM 0 H ALA A 109 6.628 2.011 9.170 1.00 0.00 H new ATOM 0 HA ALA A 109 5.263 -0.018 7.569 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.483 -1.324 9.627 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.040 -0.606 9.149 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.101 0.110 10.481 1.00 0.00 H new ATOM 1580 N TYR A 110 2.970 0.729 7.989 1.00 0.00 N ATOM 1581 CA TYR A 110 1.567 0.997 8.255 1.00 0.00 C ATOM 1582 C TYR A 110 0.882 -0.227 8.866 1.00 0.00 C ATOM 1583 O TYR A 110 1.068 -1.348 8.394 1.00 0.00 O ATOM 1584 CB TYR A 110 0.930 1.298 6.897 1.00 0.00 C ATOM 1585 CG TYR A 110 1.459 2.569 6.230 1.00 0.00 C ATOM 1586 CD1 TYR A 110 1.182 3.804 6.781 1.00 0.00 C ATOM 1587 CD2 TYR A 110 2.213 2.482 5.077 1.00 0.00 C ATOM 1588 CE1 TYR A 110 1.679 5.001 6.154 1.00 0.00 C ATOM 1589 CE2 TYR A 110 2.710 3.678 4.450 1.00 0.00 C ATOM 1590 CZ TYR A 110 2.419 4.879 5.019 1.00 0.00 C ATOM 1591 OH TYR A 110 2.889 6.009 4.426 1.00 0.00 O ATOM 0 H TYR A 110 3.179 0.468 7.025 1.00 0.00 H new ATOM 0 HA TYR A 110 1.461 1.823 8.959 1.00 0.00 H new ATOM 0 HB2 TYR A 110 1.102 0.452 6.231 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -0.149 1.389 7.025 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.592 3.872 7.683 1.00 0.00 H new ATOM 0 HD2 TYR A 110 2.430 1.516 4.645 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.469 5.973 6.575 1.00 0.00 H new ATOM 0 HE2 TYR A 110 3.301 3.623 3.548 1.00 0.00 H new ATOM 0 HH TYR A 110 3.401 5.770 3.626 1.00 0.00 H new ATOM 1601 N ASN A 111 0.103 0.028 9.907 1.00 0.00 N ATOM 1602 CA ASN A 111 -0.611 -1.039 10.588 1.00 0.00 C ATOM 1603 C ASN A 111 -1.297 -1.930 9.550 1.00 0.00 C ATOM 1604 O ASN A 111 -2.008 -1.437 8.676 1.00 0.00 O ATOM 1605 CB ASN A 111 -1.690 -0.475 11.515 1.00 0.00 C ATOM 1606 CG ASN A 111 -1.152 0.702 12.331 1.00 0.00 C ATOM 1607 OD1 ASN A 111 -0.054 1.188 12.117 1.00 0.00 O ATOM 1608 ND2 ASN A 111 -1.985 1.131 13.274 1.00 0.00 N ATOM 0 H ASN A 111 -0.050 0.959 10.296 1.00 0.00 H new ATOM 0 HA ASN A 111 0.110 -1.606 11.177 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -2.548 -0.151 10.926 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -2.042 -1.257 12.187 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -1.719 1.913 13.872 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -2.890 0.678 13.399 1.00 0.00 H new ATOM 1615 N VAL A 112 -1.060 -3.227 9.682 1.00 0.00 N ATOM 1616 CA VAL A 112 -1.646 -4.191 8.767 1.00 0.00 C ATOM 1617 C VAL A 112 -2.637 -5.073 9.528 1.00 0.00 C ATOM 1618 O VAL A 112 -2.244 -5.841 10.405 1.00 0.00 O ATOM 1619 CB VAL A 112 -0.542 -4.993 8.074 1.00 0.00 C ATOM 1620 CG1 VAL A 112 -1.120 -6.213 7.354 1.00 0.00 C ATOM 1621 CG2 VAL A 112 0.251 -4.111 7.107 1.00 0.00 C ATOM 0 H VAL A 112 -0.470 -3.632 10.409 1.00 0.00 H new ATOM 0 HA VAL A 112 -2.202 -3.681 7.980 1.00 0.00 H new ATOM 0 HB VAL A 112 0.144 -5.351 8.841 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.314 -6.765 6.870 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -1.620 -6.859 8.076 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -1.838 -5.885 6.602 1.00 0.00 H new ATOM 0 HG21 VAL A 112 1.029 -4.705 6.628 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -0.420 -3.710 6.347 1.00 0.00 H new ATOM 0 HG23 VAL A 112 0.709 -3.289 7.657 1.00 0.00 H new ATOM 1631 N VAL A 113 -3.904 -4.934 9.166 1.00 0.00 N ATOM 1632 CA VAL A 113 -4.954 -5.709 9.804 1.00 0.00 C ATOM 1633 C VAL A 113 -5.565 -6.670 8.783 1.00 0.00 C ATOM 1634 O VAL A 113 -5.263 -6.592 7.593 1.00 0.00 O ATOM 1635 CB VAL A 113 -5.986 -4.772 10.435 1.00 0.00 C ATOM 1636 CG1 VAL A 113 -5.690 -4.550 11.919 1.00 0.00 C ATOM 1637 CG2 VAL A 113 -6.050 -3.441 9.683 1.00 0.00 C ATOM 0 H VAL A 113 -4.227 -4.296 8.439 1.00 0.00 H new ATOM 0 HA VAL A 113 -4.544 -6.313 10.614 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.963 -5.248 10.356 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.438 -3.880 12.343 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -5.719 -5.505 12.443 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.701 -4.106 12.030 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.791 -2.794 10.152 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.074 -2.958 9.715 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.331 -3.622 8.646 1.00 0.00 H new ATOM 1647 N LYS A 114 -6.414 -7.556 9.285 1.00 0.00 N ATOM 1648 CA LYS A 114 -7.070 -8.531 8.431 1.00 0.00 C ATOM 1649 C LYS A 114 -8.413 -8.923 9.050 1.00 0.00 C ATOM 1650 O LYS A 114 -8.485 -9.859 9.845 1.00 0.00 O ATOM 1651 CB LYS A 114 -6.145 -9.720 8.167 1.00 0.00 C ATOM 1652 CG LYS A 114 -6.871 -10.817 7.385 1.00 0.00 C ATOM 1653 CD LYS A 114 -7.770 -10.215 6.303 1.00 0.00 C ATOM 1654 CE LYS A 114 -6.962 -9.340 5.343 1.00 0.00 C ATOM 1655 NZ LYS A 114 -7.866 -8.564 4.464 1.00 0.00 N ATOM 0 H LYS A 114 -6.662 -7.618 10.272 1.00 0.00 H new ATOM 0 HA LYS A 114 -7.283 -8.099 7.453 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.271 -9.388 7.608 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.784 -10.122 9.114 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.142 -11.485 6.927 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.471 -11.419 8.068 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.261 -11.014 5.747 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.557 -9.621 6.768 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -6.325 -8.661 5.909 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.305 -9.964 4.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -7.312 -8.108 3.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.569 -9.202 4.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -8.354 -7.836 5.024 1.00 0.00 H new ATOM 1669 N ASP A 115 -9.445 -8.187 8.662 1.00 0.00 N ATOM 1670 CA ASP A 115 -10.781 -8.446 9.169 1.00 0.00 C ATOM 1671 C ASP A 115 -11.009 -7.622 10.439 1.00 0.00 C ATOM 1672 O ASP A 115 -12.146 -7.290 10.771 1.00 0.00 O ATOM 1673 CB ASP A 115 -10.959 -9.923 9.526 1.00 0.00 C ATOM 1674 CG ASP A 115 -12.395 -10.442 9.438 1.00 0.00 C ATOM 1675 OD1 ASP A 115 -13.093 -10.023 8.489 1.00 0.00 O ATOM 1676 OD2 ASP A 115 -12.764 -11.245 10.322 1.00 0.00 O ATOM 0 H ASP A 115 -9.382 -7.412 8.002 1.00 0.00 H new ATOM 0 HA ASP A 115 -11.495 -8.175 8.391 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -10.332 -10.519 8.863 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -10.593 -10.083 10.540 1.00 0.00 H new ATOM 1681 N GLU A 116 -9.910 -7.317 11.113 1.00 0.00 N ATOM 1682 CA GLU A 116 -9.976 -6.539 12.338 1.00 0.00 C ATOM 1683 C GLU A 116 -8.762 -6.836 13.221 1.00 0.00 C ATOM 1684 O GLU A 116 -8.431 -6.054 14.111 1.00 0.00 O ATOM 1685 CB GLU A 116 -11.280 -6.809 13.090 1.00 0.00 C ATOM 1686 CG GLU A 116 -11.616 -8.302 13.087 1.00 0.00 C ATOM 1687 CD GLU A 116 -11.723 -8.843 14.515 1.00 0.00 C ATOM 1688 OE1 GLU A 116 -10.674 -9.278 15.036 1.00 0.00 O ATOM 1689 OE2 GLU A 116 -12.851 -8.808 15.052 1.00 0.00 O ATOM 0 H GLU A 116 -8.969 -7.595 10.834 1.00 0.00 H new ATOM 0 HA GLU A 116 -9.960 -5.481 12.075 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -11.192 -6.455 14.117 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -12.093 -6.249 12.628 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.556 -8.466 12.561 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.847 -8.850 12.543 1.00 0.00 H new ATOM 1696 N GLU A 117 -8.132 -7.968 12.944 1.00 0.00 N ATOM 1697 CA GLU A 117 -6.962 -8.378 13.702 1.00 0.00 C ATOM 1698 C GLU A 117 -5.700 -7.738 13.119 1.00 0.00 C ATOM 1699 O GLU A 117 -5.535 -7.682 11.901 1.00 0.00 O ATOM 1700 CB GLU A 117 -6.838 -9.903 13.737 1.00 0.00 C ATOM 1701 CG GLU A 117 -7.706 -10.498 14.847 1.00 0.00 C ATOM 1702 CD GLU A 117 -8.534 -11.674 14.324 1.00 0.00 C ATOM 1703 OE1 GLU A 117 -7.918 -12.727 14.055 1.00 0.00 O ATOM 1704 OE2 GLU A 117 -9.765 -11.492 14.205 1.00 0.00 O ATOM 0 H GLU A 117 -8.410 -8.614 12.205 1.00 0.00 H new ATOM 0 HA GLU A 117 -7.079 -8.032 14.729 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -7.137 -10.318 12.775 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -5.797 -10.183 13.895 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -7.073 -10.831 15.669 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -8.369 -9.730 15.246 1.00 0.00 H new ATOM 1711 N TYR A 118 -4.843 -7.273 14.015 1.00 0.00 N ATOM 1712 CA TYR A 118 -3.601 -6.640 13.605 1.00 0.00 C ATOM 1713 C TYR A 118 -2.568 -7.684 13.177 1.00 0.00 C ATOM 1714 O TYR A 118 -1.921 -8.304 14.020 1.00 0.00 O ATOM 1715 CB TYR A 118 -3.079 -5.898 14.837 1.00 0.00 C ATOM 1716 CG TYR A 118 -1.775 -5.134 14.597 1.00 0.00 C ATOM 1717 CD1 TYR A 118 -1.744 -4.086 13.698 1.00 0.00 C ATOM 1718 CD2 TYR A 118 -0.630 -5.492 15.278 1.00 0.00 C ATOM 1719 CE1 TYR A 118 -0.517 -3.367 13.472 1.00 0.00 C ATOM 1720 CE2 TYR A 118 0.597 -4.773 15.052 1.00 0.00 C ATOM 1721 CZ TYR A 118 0.593 -3.746 14.161 1.00 0.00 C ATOM 1722 OH TYR A 118 1.752 -3.067 13.947 1.00 0.00 O ATOM 0 H TYR A 118 -4.984 -7.322 15.024 1.00 0.00 H new ATOM 0 HA TYR A 118 -3.771 -5.976 12.758 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.842 -5.197 15.177 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -2.925 -6.616 15.643 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -2.640 -3.806 13.164 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -0.654 -6.312 15.981 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -0.479 -2.546 12.772 1.00 0.00 H new ATOM 0 HE2 TYR A 118 1.500 -5.043 15.579 1.00 0.00 H new ATOM 0 HH TYR A 118 2.026 -3.175 13.012 1.00 0.00 H new ATOM 1732 N LYS A 119 -2.445 -7.847 11.868 1.00 0.00 N ATOM 1733 CA LYS A 119 -1.502 -8.805 11.318 1.00 0.00 C ATOM 1734 C LYS A 119 -0.076 -8.354 11.641 1.00 0.00 C ATOM 1735 O LYS A 119 0.676 -9.078 12.291 1.00 0.00 O ATOM 1736 CB LYS A 119 -1.758 -9.013 9.824 1.00 0.00 C ATOM 1737 CG LYS A 119 -3.220 -9.382 9.564 1.00 0.00 C ATOM 1738 CD LYS A 119 -3.578 -10.709 10.236 1.00 0.00 C ATOM 1739 CE LYS A 119 -4.324 -10.474 11.551 1.00 0.00 C ATOM 1740 NZ LYS A 119 -3.935 -11.489 12.555 1.00 0.00 N ATOM 0 H LYS A 119 -2.983 -7.331 11.172 1.00 0.00 H new ATOM 0 HA LYS A 119 -1.640 -9.783 11.780 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -1.506 -8.104 9.278 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.107 -9.802 9.446 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.871 -8.593 9.940 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.395 -9.455 8.491 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.196 -11.306 9.565 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.670 -11.281 10.426 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.102 -9.476 11.929 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -5.399 -10.517 11.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.788 -11.873 13.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.416 -12.259 12.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.327 -11.050 13.275 1.00 0.00 H new ATOM 1754 N GLY A 120 0.253 -7.159 11.172 1.00 0.00 N ATOM 1755 CA GLY A 120 1.575 -6.603 11.402 1.00 0.00 C ATOM 1756 C GLY A 120 1.658 -5.160 10.899 1.00 0.00 C ATOM 1757 O GLY A 120 0.864 -4.312 11.303 1.00 0.00 O ATOM 0 H GLY A 120 -0.374 -6.561 10.634 1.00 0.00 H new ATOM 0 HA2 GLY A 120 1.807 -6.635 12.467 1.00 0.00 H new ATOM 0 HA3 GLY A 120 2.323 -7.212 10.895 1.00 0.00 H new ATOM 1761 N GLU A 121 2.626 -4.926 10.026 1.00 0.00 N ATOM 1762 CA GLU A 121 2.823 -3.601 9.464 1.00 0.00 C ATOM 1763 C GLU A 121 3.411 -3.704 8.055 1.00 0.00 C ATOM 1764 O GLU A 121 4.200 -4.604 7.772 1.00 0.00 O ATOM 1765 CB GLU A 121 3.714 -2.748 10.369 1.00 0.00 C ATOM 1766 CG GLU A 121 5.031 -3.466 10.675 1.00 0.00 C ATOM 1767 CD GLU A 121 5.749 -2.813 11.858 1.00 0.00 C ATOM 1768 OE1 GLU A 121 5.060 -2.558 12.870 1.00 0.00 O ATOM 1769 OE2 GLU A 121 6.970 -2.583 11.724 1.00 0.00 O ATOM 0 H GLU A 121 3.283 -5.632 9.694 1.00 0.00 H new ATOM 0 HA GLU A 121 1.853 -3.109 9.397 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.920 -1.792 9.887 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.190 -2.529 11.299 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.834 -4.515 10.898 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.675 -3.442 9.796 1.00 0.00 H new ATOM 1776 N ILE A 122 3.004 -2.769 7.209 1.00 0.00 N ATOM 1777 CA ILE A 122 3.480 -2.744 5.836 1.00 0.00 C ATOM 1778 C ILE A 122 4.273 -1.456 5.600 1.00 0.00 C ATOM 1779 O ILE A 122 3.752 -0.359 5.791 1.00 0.00 O ATOM 1780 CB ILE A 122 2.317 -2.937 4.861 1.00 0.00 C ATOM 1781 CG1 ILE A 122 2.828 -3.272 3.458 1.00 0.00 C ATOM 1782 CG2 ILE A 122 1.394 -1.717 4.860 1.00 0.00 C ATOM 1783 CD1 ILE A 122 1.664 -3.501 2.492 1.00 0.00 C ATOM 0 H ILE A 122 2.350 -2.023 7.448 1.00 0.00 H new ATOM 0 HA ILE A 122 4.159 -3.576 5.653 1.00 0.00 H new ATOM 0 HB ILE A 122 1.725 -3.787 5.199 1.00 0.00 H new ATOM 0 HG12 ILE A 122 3.455 -2.459 3.092 1.00 0.00 H new ATOM 0 HG13 ILE A 122 3.453 -4.164 3.498 1.00 0.00 H new ATOM 0 HG21 ILE A 122 0.576 -1.880 4.159 1.00 0.00 H new ATOM 0 HG22 ILE A 122 0.989 -1.566 5.861 1.00 0.00 H new ATOM 0 HG23 ILE A 122 1.958 -0.834 4.560 1.00 0.00 H new ATOM 0 HD11 ILE A 122 2.054 -3.737 1.502 1.00 0.00 H new ATOM 0 HD12 ILE A 122 1.053 -4.330 2.849 1.00 0.00 H new ATOM 0 HD13 ILE A 122 1.055 -2.599 2.436 1.00 0.00 H new ATOM 1795 N TRP A 123 5.520 -1.634 5.188 1.00 0.00 N ATOM 1796 CA TRP A 123 6.389 -0.500 4.924 1.00 0.00 C ATOM 1797 C TRP A 123 6.123 -0.023 3.495 1.00 0.00 C ATOM 1798 O TRP A 123 6.244 -0.796 2.546 1.00 0.00 O ATOM 1799 CB TRP A 123 7.855 -0.865 5.169 1.00 0.00 C ATOM 1800 CG TRP A 123 8.219 -1.020 6.647 1.00 0.00 C ATOM 1801 CD1 TRP A 123 7.830 -1.981 7.496 1.00 0.00 C ATOM 1802 CD2 TRP A 123 9.067 -0.145 7.420 1.00 0.00 C ATOM 1803 NE1 TRP A 123 8.362 -1.790 8.755 1.00 0.00 N ATOM 1804 CE2 TRP A 123 9.138 -0.638 8.707 1.00 0.00 C ATOM 1805 CE3 TRP A 123 9.750 1.025 7.045 1.00 0.00 C ATOM 1806 CZ2 TRP A 123 9.882 -0.025 9.723 1.00 0.00 C ATOM 1807 CZ3 TRP A 123 10.489 1.625 8.071 1.00 0.00 C ATOM 1808 CH2 TRP A 123 10.572 1.142 9.372 1.00 0.00 C ATOM 0 H TRP A 123 5.949 -2.546 5.031 1.00 0.00 H new ATOM 0 HA TRP A 123 6.174 0.319 5.610 1.00 0.00 H new ATOM 0 HB2 TRP A 123 8.078 -1.798 4.651 1.00 0.00 H new ATOM 0 HB3 TRP A 123 8.489 -0.096 4.728 1.00 0.00 H new ATOM 0 HD1 TRP A 123 7.181 -2.802 7.229 1.00 0.00 H new ATOM 0 HE1 TRP A 123 8.213 -2.385 9.570 1.00 0.00 H new ATOM 0 HE3 TRP A 123 9.708 1.429 6.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 9.921 -0.430 10.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 11.034 2.527 7.835 1.00 0.00 H new ATOM 0 HH2 TRP A 123 11.165 1.664 10.108 1.00 0.00 H new ATOM 1819 N VAL A 124 5.765 1.248 3.387 1.00 0.00 N ATOM 1820 CA VAL A 124 5.481 1.838 2.090 1.00 0.00 C ATOM 1821 C VAL A 124 5.755 3.342 2.147 1.00 0.00 C ATOM 1822 O VAL A 124 5.393 4.006 3.117 1.00 0.00 O ATOM 1823 CB VAL A 124 4.048 1.507 1.668 1.00 0.00 C ATOM 1824 CG1 VAL A 124 3.777 1.972 0.236 1.00 0.00 C ATOM 1825 CG2 VAL A 124 3.762 0.012 1.823 1.00 0.00 C ATOM 0 H VAL A 124 5.665 1.886 4.177 1.00 0.00 H new ATOM 0 HA VAL A 124 6.136 1.417 1.327 1.00 0.00 H new ATOM 0 HB VAL A 124 3.371 2.047 2.329 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.752 1.725 -0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 124 3.920 3.051 0.170 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.466 1.473 -0.445 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.737 -0.196 1.516 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.450 -0.557 1.198 1.00 0.00 H new ATOM 0 HG23 VAL A 124 3.895 -0.278 2.865 1.00 0.00 H new ATOM 1835 N ALA A 125 6.392 3.836 1.096 1.00 0.00 N ATOM 1836 CA ALA A 125 6.719 5.249 1.014 1.00 0.00 C ATOM 1837 C ALA A 125 5.743 5.939 0.059 1.00 0.00 C ATOM 1838 O ALA A 125 5.348 5.364 -0.954 1.00 0.00 O ATOM 1839 CB ALA A 125 8.176 5.412 0.577 1.00 0.00 C ATOM 0 H ALA A 125 6.691 3.282 0.293 1.00 0.00 H new ATOM 0 HA ALA A 125 6.617 5.724 1.990 1.00 0.00 H new ATOM 0 HB1 ALA A 125 8.421 6.472 0.516 1.00 0.00 H new ATOM 0 HB2 ALA A 125 8.830 4.930 1.304 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.317 4.950 -0.400 1.00 0.00 H new ATOM 1845 N LEU A 126 5.382 7.164 0.415 1.00 0.00 N ATOM 1846 CA LEU A 126 4.460 7.938 -0.398 1.00 0.00 C ATOM 1847 C LEU A 126 5.172 9.190 -0.915 1.00 0.00 C ATOM 1848 O LEU A 126 5.846 9.884 -0.156 1.00 0.00 O ATOM 1849 CB LEU A 126 3.179 8.238 0.383 1.00 0.00 C ATOM 1850 CG LEU A 126 2.416 7.022 0.912 1.00 0.00 C ATOM 1851 CD1 LEU A 126 1.470 7.419 2.047 1.00 0.00 C ATOM 1852 CD2 LEU A 126 1.682 6.300 -0.220 1.00 0.00 C ATOM 0 H LEU A 126 5.712 7.639 1.255 1.00 0.00 H new ATOM 0 HA LEU A 126 4.147 7.364 -1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.434 8.878 1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.510 8.810 -0.260 1.00 0.00 H new ATOM 0 HG LEU A 126 3.139 6.319 1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 126 0.940 6.536 2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 126 2.045 7.853 2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.750 8.151 1.681 1.00 0.00 H new ATOM 0 HD21 LEU A 126 1.148 5.440 0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.971 6.982 -0.686 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.403 5.963 -0.964 1.00 0.00 H new ATOM 1864 N SER A 127 4.997 9.441 -2.205 1.00 0.00 N ATOM 1865 CA SER A 127 5.614 10.596 -2.833 1.00 0.00 C ATOM 1866 C SER A 127 4.635 11.243 -3.815 1.00 0.00 C ATOM 1867 O SER A 127 4.438 10.742 -4.921 1.00 0.00 O ATOM 1868 CB SER A 127 6.908 10.208 -3.551 1.00 0.00 C ATOM 1869 OG SER A 127 8.051 10.824 -2.964 1.00 0.00 O ATOM 0 H SER A 127 4.436 8.864 -2.832 1.00 0.00 H new ATOM 0 HA SER A 127 5.865 11.315 -2.053 1.00 0.00 H new ATOM 0 HB2 SER A 127 7.026 9.125 -3.524 1.00 0.00 H new ATOM 0 HB3 SER A 127 6.840 10.495 -4.600 1.00 0.00 H new ATOM 0 HG SER A 127 8.856 10.549 -3.450 1.00 0.00 H new ATOM 1875 N PHE A 128 4.049 12.347 -3.376 1.00 0.00 N ATOM 1876 CA PHE A 128 3.095 13.067 -4.202 1.00 0.00 C ATOM 1877 C PHE A 128 3.810 14.037 -5.146 1.00 0.00 C ATOM 1878 O PHE A 128 4.914 14.494 -4.852 1.00 0.00 O ATOM 1879 CB PHE A 128 2.196 13.865 -3.256 1.00 0.00 C ATOM 1880 CG PHE A 128 1.014 14.546 -3.948 1.00 0.00 C ATOM 1881 CD1 PHE A 128 0.111 13.802 -4.642 1.00 0.00 C ATOM 1882 CD2 PHE A 128 0.865 15.896 -3.869 1.00 0.00 C ATOM 1883 CE1 PHE A 128 -0.986 14.434 -5.284 1.00 0.00 C ATOM 1884 CE2 PHE A 128 -0.233 16.528 -4.511 1.00 0.00 C ATOM 1885 CZ PHE A 128 -1.135 15.784 -5.205 1.00 0.00 C ATOM 0 H PHE A 128 4.216 12.761 -2.459 1.00 0.00 H new ATOM 0 HA PHE A 128 2.524 12.364 -4.809 1.00 0.00 H new ATOM 0 HB2 PHE A 128 1.816 13.197 -2.483 1.00 0.00 H new ATOM 0 HB3 PHE A 128 2.797 14.624 -2.754 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.229 12.730 -4.705 1.00 0.00 H new ATOM 0 HD2 PHE A 128 1.582 16.487 -3.318 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -1.702 13.843 -5.835 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.351 17.600 -4.448 1.00 0.00 H new ATOM 0 HZ PHE A 128 -1.970 16.265 -5.694 1.00 0.00 H new ATOM 1895 N LYS A 129 3.152 14.321 -6.260 1.00 0.00 N ATOM 1896 CA LYS A 129 3.710 15.228 -7.248 1.00 0.00 C ATOM 1897 C LYS A 129 2.611 16.163 -7.756 1.00 0.00 C ATOM 1898 O LYS A 129 1.912 15.842 -8.716 1.00 0.00 O ATOM 1899 CB LYS A 129 4.412 14.444 -8.359 1.00 0.00 C ATOM 1900 CG LYS A 129 5.833 14.058 -7.945 1.00 0.00 C ATOM 1901 CD LYS A 129 6.458 13.098 -8.959 1.00 0.00 C ATOM 1902 CE LYS A 129 7.839 12.631 -8.493 1.00 0.00 C ATOM 1903 NZ LYS A 129 7.710 11.592 -7.448 1.00 0.00 N ATOM 0 H LYS A 129 2.237 13.939 -6.500 1.00 0.00 H new ATOM 0 HA LYS A 129 4.479 15.855 -6.797 1.00 0.00 H new ATOM 0 HB2 LYS A 129 3.841 13.545 -8.592 1.00 0.00 H new ATOM 0 HB3 LYS A 129 4.445 15.045 -9.268 1.00 0.00 H new ATOM 0 HG2 LYS A 129 6.447 14.954 -7.861 1.00 0.00 H new ATOM 0 HG3 LYS A 129 5.815 13.591 -6.960 1.00 0.00 H new ATOM 0 HD2 LYS A 129 5.806 12.235 -9.098 1.00 0.00 H new ATOM 0 HD3 LYS A 129 6.545 13.592 -9.927 1.00 0.00 H new ATOM 0 HE2 LYS A 129 8.400 12.236 -9.340 1.00 0.00 H new ATOM 0 HE3 LYS A 129 8.404 13.478 -8.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 8.655 11.250 -7.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 7.238 11.995 -6.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 7.146 10.799 -7.815 1.00 0.00 H new ATOM 1917 N PRO A 130 2.489 17.331 -7.070 1.00 0.00 N ATOM 1918 CA PRO A 130 1.486 18.315 -7.441 1.00 0.00 C ATOM 1919 C PRO A 130 1.895 19.063 -8.712 1.00 0.00 C ATOM 1920 O PRO A 130 3.075 19.343 -8.918 1.00 0.00 O ATOM 1921 CB PRO A 130 1.361 19.225 -6.230 1.00 0.00 C ATOM 1922 CG PRO A 130 2.621 19.003 -5.410 1.00 0.00 C ATOM 1923 CD PRO A 130 3.298 17.745 -5.928 1.00 0.00 C ATOM 0 HA PRO A 130 0.524 17.864 -7.685 1.00 0.00 H new ATOM 0 HB2 PRO A 130 1.271 20.268 -6.533 1.00 0.00 H new ATOM 0 HB3 PRO A 130 0.470 18.983 -5.650 1.00 0.00 H new ATOM 0 HG2 PRO A 130 3.289 19.860 -5.497 1.00 0.00 H new ATOM 0 HG3 PRO A 130 2.375 18.897 -4.353 1.00 0.00 H new ATOM 0 HD2 PRO A 130 4.328 17.943 -6.224 1.00 0.00 H new ATOM 0 HD3 PRO A 130 3.330 16.969 -5.163 1.00 0.00 H new ATOM 1931 N SER A 131 0.898 19.366 -9.529 1.00 0.00 N ATOM 1932 CA SER A 131 1.140 20.076 -10.774 1.00 0.00 C ATOM 1933 C SER A 131 1.623 21.498 -10.480 1.00 0.00 C ATOM 1934 O SER A 131 0.840 22.445 -10.519 1.00 0.00 O ATOM 1935 CB SER A 131 -0.121 20.113 -11.640 1.00 0.00 C ATOM 1936 OG SER A 131 0.122 20.712 -12.910 1.00 0.00 O ATOM 0 H SER A 131 -0.079 19.133 -9.354 1.00 0.00 H new ATOM 0 HA SER A 131 1.913 19.543 -11.327 1.00 0.00 H new ATOM 0 HB2 SER A 131 -0.493 19.098 -11.783 1.00 0.00 H new ATOM 0 HB3 SER A 131 -0.902 20.668 -11.120 1.00 0.00 H new ATOM 0 HG SER A 131 -0.706 20.716 -13.434 1.00 0.00 H new