USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 843 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 93 ASN : amide:sc= -0.732 K(o=-0.92,f=-14!) USER MOD Set 1.2: A 95 THR OG1 : rot 180:sc= -0.189 USER MOD Set 2.1: A 59 MET CE :methyl -155:sc=-0.00983 (180deg=0) USER MOD Set 2.2: A 90 SER OG : rot 180:sc=-0.00726 USER MOD Set 3.1: A 19 ASN : amide:sc= -0.192 K(o=-0.76,f=1.4) USER MOD Set 3.2: A 28 THR OG1 : rot -130:sc= -0.571 USER MOD Set 3.3: A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot -31:sc=0.000764 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 137:sc= -0.347! USER MOD Single : A 32 THR OG1 : rot 55:sc= 0.574 USER MOD Single : A 36 LYS NZ :NH3+ 158:sc= 0.448 (180deg=-0.623!) USER MOD Single : A 38 HIS : no HD1:sc= -3.65! K(o=-3.7!,f=0.69) USER MOD Single : A 43 SER OG : rot 180:sc=-0.00969 USER MOD Single : A 44 THR OG1 : rot -31:sc= 1.14 USER MOD Single : A 47 LYS NZ :NH3+ -161:sc= 1.23 (180deg=1.09) USER MOD Single : A 49 GLN : amide:sc= 0.525 K(o=0.52,f=-3.6!) USER MOD Single : A 51 THR OG1 : rot 36:sc= 0.693 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0.275 USER MOD Single : A 57 LYS NZ :NH3+ -160:sc= -0.104 (180deg=-0.458) USER MOD Single : A 58 MET CE :methyl -172:sc= 0 (180deg=-0.0432) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 151:sc= 0.74 (180deg=0.295) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -1.79 K(o=-1.8,f=0.36) USER MOD Single : A 88 MET CE :methyl -152:sc= -0.0113 (180deg=-0.842) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 MET CE :methyl -104:sc= -0.212 (180deg=-1.24) USER MOD Single : A 99 ASN : amide:sc= 1.12 K(o=1.1,f=-0.2) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl -174:sc= 0 (180deg=-0.0634) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot -30:sc= 0.00963 USER MOD Single : A 112 LYS NZ :NH3+ 150:sc= 0.0274 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N SER A 4 16.139 -2.508 -0.039 1.00 25.00 N ATOM 47 CA SER A 4 15.951 -2.345 1.403 1.00 25.00 C ATOM 48 C SER A 4 16.349 -0.944 1.854 1.00 25.00 C ATOM 49 O SER A 4 17.277 -0.339 1.308 1.00 25.00 O ATOM 50 CB SER A 4 16.752 -3.407 2.176 1.00 25.00 C ATOM 51 OG SER A 4 18.151 -3.202 2.056 1.00 25.00 O ATOM 0 HA SER A 4 14.892 -2.481 1.621 1.00 25.00 H new ATOM 0 HB2 SER A 4 16.470 -3.381 3.228 1.00 25.00 H new ATOM 0 HB3 SER A 4 16.496 -4.399 1.802 1.00 25.00 H new ATOM 0 HG SER A 4 18.349 -2.802 1.184 1.00 25.00 H new ATOM 57 N GLY A 5 15.628 -0.450 2.861 1.00 25.00 N ATOM 58 CA GLY A 5 15.896 0.864 3.417 1.00 25.00 C ATOM 59 C GLY A 5 15.432 0.972 4.853 1.00 25.00 C ATOM 60 O GLY A 5 15.924 0.250 5.724 1.00 25.00 O ATOM 0 H GLY A 5 14.854 -0.945 3.304 1.00 25.00 H new ATOM 0 HA2 GLY A 5 16.965 1.070 3.364 1.00 25.00 H new ATOM 0 HA3 GLY A 5 15.395 1.622 2.815 1.00 25.00 H new ATOM 64 N ALA A 6 14.488 1.887 5.098 1.00 25.00 N ATOM 65 CA ALA A 6 13.866 2.047 6.415 1.00 25.00 C ATOM 66 C ALA A 6 12.412 2.488 6.265 1.00 25.00 C ATOM 67 O ALA A 6 12.127 3.477 5.581 1.00 25.00 O ATOM 68 CB ALA A 6 14.633 3.051 7.260 1.00 25.00 C ATOM 0 H ALA A 6 14.136 2.534 4.392 1.00 25.00 H new ATOM 0 HA ALA A 6 13.893 1.082 6.922 1.00 25.00 H new ATOM 0 HB1 ALA A 6 14.151 3.152 8.232 1.00 25.00 H new ATOM 0 HB2 ALA A 6 15.657 2.704 7.397 1.00 25.00 H new ATOM 0 HB3 ALA A 6 14.642 4.018 6.758 1.00 25.00 H new ATOM 74 N ALA A 7 11.491 1.746 6.900 1.00 25.00 N ATOM 75 CA ALA A 7 10.056 2.025 6.780 1.00 25.00 C ATOM 76 C ALA A 7 9.305 1.780 8.093 1.00 25.00 C ATOM 77 O ALA A 7 9.720 0.959 8.914 1.00 25.00 O ATOM 78 CB ALA A 7 9.452 1.176 5.672 1.00 25.00 C ATOM 0 H ALA A 7 11.716 0.952 7.499 1.00 25.00 H new ATOM 0 HA ALA A 7 9.950 3.082 6.535 1.00 25.00 H new ATOM 0 HB1 ALA A 7 8.386 1.390 5.590 1.00 25.00 H new ATOM 0 HB2 ALA A 7 9.943 1.409 4.727 1.00 25.00 H new ATOM 0 HB3 ALA A 7 9.594 0.120 5.904 1.00 25.00 H new ATOM 84 N ILE A 8 8.192 2.507 8.271 1.00 25.00 N ATOM 85 CA ILE A 8 7.304 2.337 9.430 1.00 25.00 C ATOM 86 C ILE A 8 5.972 1.728 8.963 1.00 25.00 C ATOM 87 O ILE A 8 5.425 2.126 7.932 1.00 25.00 O ATOM 88 CB ILE A 8 7.050 3.695 10.171 1.00 25.00 C ATOM 89 CG1 ILE A 8 8.381 4.295 10.674 1.00 25.00 C ATOM 90 CG2 ILE A 8 6.066 3.521 11.342 1.00 25.00 C ATOM 91 CD1 ILE A 8 8.308 5.749 11.106 1.00 25.00 C ATOM 0 H ILE A 8 7.883 3.227 7.618 1.00 25.00 H new ATOM 0 HA ILE A 8 7.790 1.667 10.139 1.00 25.00 H new ATOM 0 HB ILE A 8 6.601 4.384 9.455 1.00 25.00 H new ATOM 0 HG12 ILE A 8 8.736 3.699 11.515 1.00 25.00 H new ATOM 0 HG13 ILE A 8 9.125 4.204 9.883 1.00 25.00 H new ATOM 0 HG21 ILE A 8 5.912 4.481 11.834 1.00 25.00 H new ATOM 0 HG22 ILE A 8 5.113 3.150 10.964 1.00 25.00 H new ATOM 0 HG23 ILE A 8 6.475 2.808 12.058 1.00 25.00 H new ATOM 0 HD11 ILE A 8 9.291 6.078 11.442 1.00 25.00 H new ATOM 0 HD12 ILE A 8 7.988 6.363 10.264 1.00 25.00 H new ATOM 0 HD13 ILE A 8 7.592 5.851 11.922 1.00 25.00 H new ATOM 103 N PHE A 9 5.467 0.762 9.737 1.00 25.00 N ATOM 104 CA PHE A 9 4.217 0.069 9.423 1.00 25.00 C ATOM 105 C PHE A 9 3.440 -0.192 10.709 1.00 25.00 C ATOM 106 O PHE A 9 3.918 -0.893 11.599 1.00 25.00 O ATOM 107 CB PHE A 9 4.507 -1.250 8.674 1.00 25.00 C ATOM 108 CG PHE A 9 3.286 -1.986 8.168 1.00 25.00 C ATOM 109 CD1 PHE A 9 2.665 -1.606 6.986 1.00 25.00 C ATOM 110 CD2 PHE A 9 2.771 -3.065 8.870 1.00 25.00 C ATOM 111 CE1 PHE A 9 1.554 -2.282 6.521 1.00 25.00 C ATOM 112 CE2 PHE A 9 1.660 -3.745 8.408 1.00 25.00 C ATOM 113 CZ PHE A 9 1.051 -3.354 7.232 1.00 25.00 C ATOM 0 H PHE A 9 5.913 0.440 10.596 1.00 25.00 H new ATOM 0 HA PHE A 9 3.611 0.697 8.771 1.00 25.00 H new ATOM 0 HB2 PHE A 9 5.157 -1.032 7.827 1.00 25.00 H new ATOM 0 HB3 PHE A 9 5.061 -1.912 9.339 1.00 25.00 H new ATOM 0 HD1 PHE A 9 3.056 -0.771 6.423 1.00 25.00 H new ATOM 0 HD2 PHE A 9 3.244 -3.378 9.789 1.00 25.00 H new ATOM 0 HE1 PHE A 9 1.079 -1.973 5.602 1.00 25.00 H new ATOM 0 HE2 PHE A 9 1.268 -4.582 8.967 1.00 25.00 H new ATOM 0 HZ PHE A 9 0.183 -3.885 6.869 1.00 25.00 H new ATOM 123 N GLU A 10 2.228 0.384 10.787 1.00 25.00 N ATOM 124 CA GLU A 10 1.343 0.291 11.977 1.00 25.00 C ATOM 125 C GLU A 10 1.974 0.957 13.217 1.00 25.00 C ATOM 126 O GLU A 10 1.894 0.443 14.341 1.00 25.00 O ATOM 127 CB GLU A 10 0.945 -1.167 12.276 1.00 25.00 C ATOM 128 CG GLU A 10 0.149 -1.820 11.157 1.00 25.00 C ATOM 129 CD GLU A 10 -0.092 -3.298 11.395 1.00 25.00 C ATOM 130 OE1 GLU A 10 0.590 -3.879 12.266 1.00 25.00 O ATOM 131 OE2 GLU A 10 -0.963 -3.877 10.711 1.00 25.00 O ATOM 0 H GLU A 10 1.826 0.932 10.026 1.00 25.00 H new ATOM 0 HA GLU A 10 0.434 0.842 11.737 1.00 25.00 H new ATOM 0 HB2 GLU A 10 1.847 -1.751 12.458 1.00 25.00 H new ATOM 0 HB3 GLU A 10 0.357 -1.194 13.193 1.00 25.00 H new ATOM 0 HG2 GLU A 10 -0.810 -1.312 11.054 1.00 25.00 H new ATOM 0 HG3 GLU A 10 0.681 -1.690 10.215 1.00 25.00 H new ATOM 138 N LYS A 11 2.607 2.124 12.979 1.00 25.00 N ATOM 139 CA LYS A 11 3.210 2.992 14.032 1.00 25.00 C ATOM 140 C LYS A 11 4.471 2.389 14.677 1.00 25.00 C ATOM 141 O LYS A 11 5.161 3.068 15.446 1.00 25.00 O ATOM 142 CB LYS A 11 2.189 3.378 15.119 1.00 25.00 C ATOM 143 CG LYS A 11 1.047 4.254 14.599 1.00 25.00 C ATOM 144 CD LYS A 11 0.060 4.646 15.695 1.00 25.00 C ATOM 145 CE LYS A 11 -1.084 5.499 15.164 1.00 25.00 C ATOM 146 NZ LYS A 11 -2.028 5.902 16.243 1.00 25.00 N ATOM 0 H LYS A 11 2.720 2.503 12.039 1.00 25.00 H new ATOM 0 HA LYS A 11 3.520 3.896 13.508 1.00 25.00 H new ATOM 0 HB2 LYS A 11 1.771 2.470 15.553 1.00 25.00 H new ATOM 0 HB3 LYS A 11 2.705 3.906 15.921 1.00 25.00 H new ATOM 0 HG2 LYS A 11 1.462 5.156 14.150 1.00 25.00 H new ATOM 0 HG3 LYS A 11 0.516 3.721 13.811 1.00 25.00 H new ATOM 0 HD2 LYS A 11 -0.345 3.745 16.155 1.00 25.00 H new ATOM 0 HD3 LYS A 11 0.587 5.194 16.476 1.00 25.00 H new ATOM 0 HE2 LYS A 11 -0.679 6.391 14.685 1.00 25.00 H new ATOM 0 HE3 LYS A 11 -1.625 4.943 14.398 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 -2.791 6.481 15.838 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 -2.435 5.052 16.684 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 -1.518 6.454 16.962 1.00 25.00 H new ATOM 160 N VAL A 12 4.771 1.124 14.357 1.00 25.00 N ATOM 161 CA VAL A 12 6.010 0.475 14.795 1.00 25.00 C ATOM 162 C VAL A 12 7.082 0.651 13.708 1.00 25.00 C ATOM 163 O VAL A 12 6.894 0.220 12.566 1.00 25.00 O ATOM 164 CB VAL A 12 5.772 -1.039 15.168 1.00 25.00 C ATOM 165 CG1 VAL A 12 7.064 -1.753 15.526 1.00 25.00 C ATOM 166 CG2 VAL A 12 4.746 -1.219 16.292 1.00 25.00 C ATOM 0 H VAL A 12 4.167 0.527 13.792 1.00 25.00 H new ATOM 0 HA VAL A 12 6.364 0.953 15.708 1.00 25.00 H new ATOM 0 HB VAL A 12 5.364 -1.497 14.267 1.00 25.00 H new ATOM 0 HG11 VAL A 12 6.849 -2.792 15.775 1.00 25.00 H new ATOM 0 HG12 VAL A 12 7.747 -1.718 14.677 1.00 25.00 H new ATOM 0 HG13 VAL A 12 7.525 -1.262 16.383 1.00 25.00 H new ATOM 0 HG21 VAL A 12 4.623 -2.281 16.506 1.00 25.00 H new ATOM 0 HG22 VAL A 12 5.095 -0.706 17.188 1.00 25.00 H new ATOM 0 HG23 VAL A 12 3.789 -0.798 15.982 1.00 25.00 H new ATOM 176 N SER A 13 8.190 1.307 14.074 1.00 25.00 N ATOM 177 CA SER A 13 9.252 1.626 13.118 1.00 25.00 C ATOM 178 C SER A 13 10.151 0.427 12.866 1.00 25.00 C ATOM 179 O SER A 13 10.546 -0.279 13.801 1.00 25.00 O ATOM 180 CB SER A 13 10.080 2.822 13.595 1.00 25.00 C ATOM 181 OG SER A 13 11.137 3.107 12.693 1.00 25.00 O ATOM 0 H SER A 13 8.372 1.626 15.025 1.00 25.00 H new ATOM 0 HA SER A 13 8.772 1.892 12.176 1.00 25.00 H new ATOM 0 HB2 SER A 13 9.437 3.697 13.694 1.00 25.00 H new ATOM 0 HB3 SER A 13 10.489 2.614 14.584 1.00 25.00 H new ATOM 0 HG SER A 13 11.648 3.876 13.021 1.00 25.00 H new ATOM 187 N GLY A 14 10.457 0.208 11.588 1.00 25.00 N ATOM 188 CA GLY A 14 11.243 -0.944 11.190 1.00 25.00 C ATOM 189 C GLY A 14 12.051 -0.709 9.934 1.00 25.00 C ATOM 190 O GLY A 14 12.333 0.435 9.564 1.00 25.00 O ATOM 0 H GLY A 14 10.171 0.814 10.819 1.00 25.00 H new ATOM 0 HA2 GLY A 14 11.917 -1.214 12.003 1.00 25.00 H new ATOM 0 HA3 GLY A 14 10.578 -1.793 11.033 1.00 25.00 H new ATOM 194 N ILE A 15 12.423 -1.812 9.288 1.00 25.00 N ATOM 195 CA ILE A 15 13.211 -1.785 8.057 1.00 25.00 C ATOM 196 C ILE A 15 12.492 -2.604 6.968 1.00 25.00 C ATOM 197 O ILE A 15 11.977 -3.693 7.242 1.00 25.00 O ATOM 198 CB ILE A 15 14.663 -2.330 8.326 1.00 25.00 C ATOM 199 CG1 ILE A 15 15.500 -1.359 9.212 1.00 25.00 C ATOM 200 CG2 ILE A 15 15.426 -2.675 7.038 1.00 25.00 C ATOM 201 CD1 ILE A 15 16.772 -1.924 9.842 1.00 25.00 C ATOM 0 H ILE A 15 12.186 -2.752 9.604 1.00 25.00 H new ATOM 0 HA ILE A 15 13.306 -0.757 7.706 1.00 25.00 H new ATOM 0 HB ILE A 15 14.524 -3.260 8.877 1.00 25.00 H new ATOM 0 HG12 ILE A 15 15.776 -0.497 8.604 1.00 25.00 H new ATOM 0 HG13 ILE A 15 14.858 -0.992 10.013 1.00 25.00 H new ATOM 0 HG21 ILE A 15 16.419 -3.045 7.292 1.00 25.00 H new ATOM 0 HG22 ILE A 15 14.882 -3.443 6.488 1.00 25.00 H new ATOM 0 HG23 ILE A 15 15.518 -1.782 6.420 1.00 25.00 H new ATOM 0 HD11 ILE A 15 17.261 -1.149 10.432 1.00 25.00 H new ATOM 0 HD12 ILE A 15 16.516 -2.764 10.487 1.00 25.00 H new ATOM 0 HD13 ILE A 15 17.448 -2.262 9.057 1.00 25.00 H new ATOM 213 N ILE A 16 12.472 -2.069 5.739 1.00 25.00 N ATOM 214 CA ILE A 16 11.793 -2.715 4.611 1.00 25.00 C ATOM 215 C ILE A 16 12.812 -3.443 3.709 1.00 25.00 C ATOM 216 O ILE A 16 13.890 -2.915 3.435 1.00 25.00 O ATOM 217 CB ILE A 16 10.918 -1.661 3.831 1.00 25.00 C ATOM 218 CG1 ILE A 16 9.822 -2.391 3.018 1.00 25.00 C ATOM 219 CG2 ILE A 16 11.739 -0.706 2.935 1.00 25.00 C ATOM 220 CD1 ILE A 16 8.405 -2.236 3.564 1.00 25.00 C ATOM 0 H ILE A 16 12.922 -1.185 5.502 1.00 25.00 H new ATOM 0 HA ILE A 16 11.111 -3.480 4.983 1.00 25.00 H new ATOM 0 HB ILE A 16 10.454 -1.020 4.580 1.00 25.00 H new ATOM 0 HG12 ILE A 16 9.843 -2.021 1.993 1.00 25.00 H new ATOM 0 HG13 ILE A 16 10.066 -3.453 2.978 1.00 25.00 H new ATOM 0 HG21 ILE A 16 11.067 -0.011 2.432 1.00 25.00 H new ATOM 0 HG22 ILE A 16 12.445 -0.147 3.550 1.00 25.00 H new ATOM 0 HG23 ILE A 16 12.285 -1.285 2.191 1.00 25.00 H new ATOM 0 HD11 ILE A 16 7.708 -2.782 2.928 1.00 25.00 H new ATOM 0 HD12 ILE A 16 8.360 -2.635 4.577 1.00 25.00 H new ATOM 0 HD13 ILE A 16 8.134 -1.180 3.577 1.00 25.00 H new ATOM 232 N ALA A 17 12.457 -4.659 3.276 1.00 25.00 N ATOM 233 CA ALA A 17 13.310 -5.460 2.385 1.00 25.00 C ATOM 234 C ALA A 17 12.485 -6.123 1.280 1.00 25.00 C ATOM 235 O ALA A 17 11.334 -6.499 1.507 1.00 25.00 O ATOM 236 CB ALA A 17 14.073 -6.510 3.183 1.00 25.00 C ATOM 0 H ALA A 17 11.580 -5.113 3.529 1.00 25.00 H new ATOM 0 HA ALA A 17 14.028 -4.789 1.912 1.00 25.00 H new ATOM 0 HB1 ALA A 17 14.700 -7.095 2.509 1.00 25.00 H new ATOM 0 HB2 ALA A 17 14.700 -6.017 3.926 1.00 25.00 H new ATOM 0 HB3 ALA A 17 13.366 -7.170 3.685 1.00 25.00 H new ATOM 242 N ILE A 18 13.081 -6.263 0.085 1.00 25.00 N ATOM 243 CA ILE A 18 12.399 -6.904 -1.049 1.00 25.00 C ATOM 244 C ILE A 18 12.934 -8.327 -1.273 1.00 25.00 C ATOM 245 O ILE A 18 14.146 -8.558 -1.320 1.00 25.00 O ATOM 246 CB ILE A 18 12.508 -6.067 -2.369 1.00 25.00 C ATOM 247 CG1 ILE A 18 11.835 -4.690 -2.182 1.00 25.00 C ATOM 248 CG2 ILE A 18 11.888 -6.819 -3.555 1.00 25.00 C ATOM 249 CD1 ILE A 18 12.073 -3.687 -3.297 1.00 25.00 C ATOM 0 H ILE A 18 14.028 -5.943 -0.120 1.00 25.00 H new ATOM 0 HA ILE A 18 11.342 -6.957 -0.789 1.00 25.00 H new ATOM 0 HB ILE A 18 13.564 -5.913 -2.591 1.00 25.00 H new ATOM 0 HG12 ILE A 18 10.761 -4.842 -2.077 1.00 25.00 H new ATOM 0 HG13 ILE A 18 12.188 -4.257 -1.246 1.00 25.00 H new ATOM 0 HG21 ILE A 18 11.978 -6.214 -4.457 1.00 25.00 H new ATOM 0 HG22 ILE A 18 12.410 -7.765 -3.699 1.00 25.00 H new ATOM 0 HG23 ILE A 18 10.835 -7.013 -3.352 1.00 25.00 H new ATOM 0 HD11 ILE A 18 11.556 -2.756 -3.065 1.00 25.00 H new ATOM 0 HD12 ILE A 18 13.142 -3.495 -3.392 1.00 25.00 H new ATOM 0 HD13 ILE A 18 11.692 -4.089 -4.236 1.00 25.00 H new ATOM 261 N ASN A 19 11.990 -9.258 -1.407 1.00 25.00 N ATOM 262 CA ASN A 19 12.273 -10.663 -1.695 1.00 25.00 C ATOM 263 C ASN A 19 12.092 -10.967 -3.193 1.00 25.00 C ATOM 264 O ASN A 19 10.966 -11.041 -3.693 1.00 25.00 O ATOM 265 CB ASN A 19 11.331 -11.549 -0.857 1.00 25.00 C ATOM 266 CG ASN A 19 11.524 -11.388 0.644 1.00 25.00 C ATOM 267 OD1 ASN A 19 12.493 -10.782 1.107 1.00 25.00 O ATOM 268 ND2 ASN A 19 10.587 -11.926 1.416 1.00 25.00 N ATOM 0 H ASN A 19 10.995 -9.055 -1.317 1.00 25.00 H new ATOM 0 HA ASN A 19 13.310 -10.875 -1.434 1.00 25.00 H new ATOM 0 HB2 ASN A 19 10.298 -11.309 -1.111 1.00 25.00 H new ATOM 0 HB3 ASN A 19 11.491 -12.593 -1.126 1.00 25.00 H new ATOM 0 HD21 ASN A 19 10.654 -11.845 2.431 1.00 25.00 H new ATOM 0 HD22 ASN A 19 9.800 -12.420 0.994 1.00 25.00 H new ATOM 275 N GLU A 20 13.219 -11.123 -3.901 1.00 25.00 N ATOM 276 CA GLU A 20 13.225 -11.543 -5.310 1.00 25.00 C ATOM 277 C GLU A 20 14.069 -12.814 -5.461 1.00 25.00 C ATOM 278 O GLU A 20 14.791 -13.189 -4.531 1.00 25.00 O ATOM 279 CB GLU A 20 13.752 -10.425 -6.234 1.00 25.00 C ATOM 280 CG GLU A 20 12.845 -9.203 -6.346 1.00 25.00 C ATOM 281 CD GLU A 20 13.389 -8.161 -7.302 1.00 25.00 C ATOM 282 OE1 GLU A 20 13.546 -8.479 -8.502 1.00 25.00 O ATOM 283 OE2 GLU A 20 13.653 -7.027 -6.858 1.00 25.00 O ATOM 0 H GLU A 20 14.149 -10.962 -3.515 1.00 25.00 H new ATOM 0 HA GLU A 20 12.199 -11.752 -5.612 1.00 25.00 H new ATOM 0 HB2 GLU A 20 14.728 -10.103 -5.870 1.00 25.00 H new ATOM 0 HB3 GLU A 20 13.904 -10.839 -7.231 1.00 25.00 H new ATOM 0 HG2 GLU A 20 11.857 -9.518 -6.681 1.00 25.00 H new ATOM 0 HG3 GLU A 20 12.720 -8.756 -5.360 1.00 25.00 H new ATOM 290 N ASP A 21 13.976 -13.483 -6.640 1.00 25.00 N ATOM 291 CA ASP A 21 14.597 -14.819 -6.884 1.00 25.00 C ATOM 292 C ASP A 21 13.894 -15.931 -6.084 1.00 25.00 C ATOM 293 O ASP A 21 14.313 -17.095 -6.082 1.00 25.00 O ATOM 294 CB ASP A 21 16.097 -14.822 -6.581 1.00 25.00 C ATOM 295 CG ASP A 21 16.881 -13.866 -7.459 1.00 25.00 C ATOM 296 OD1 ASP A 21 16.678 -13.889 -8.691 1.00 25.00 O ATOM 297 OD2 ASP A 21 17.699 -13.093 -6.916 1.00 25.00 O ATOM 0 H ASP A 21 13.471 -13.116 -7.447 1.00 25.00 H new ATOM 0 HA ASP A 21 14.467 -15.025 -7.947 1.00 25.00 H new ATOM 0 HB2 ASP A 21 16.251 -14.556 -5.535 1.00 25.00 H new ATOM 0 HB3 ASP A 21 16.487 -15.831 -6.714 1.00 25.00 H new ATOM 302 N VAL A 22 12.814 -15.530 -5.427 1.00 25.00 N ATOM 303 CA VAL A 22 11.942 -16.408 -4.641 1.00 25.00 C ATOM 304 C VAL A 22 10.667 -16.742 -5.436 1.00 25.00 C ATOM 305 O VAL A 22 10.562 -16.400 -6.618 1.00 25.00 O ATOM 306 CB VAL A 22 11.570 -15.768 -3.255 1.00 25.00 C ATOM 307 CG1 VAL A 22 12.781 -15.758 -2.330 1.00 25.00 C ATOM 308 CG2 VAL A 22 10.995 -14.343 -3.387 1.00 25.00 C ATOM 0 H VAL A 22 12.507 -14.557 -5.423 1.00 25.00 H new ATOM 0 HA VAL A 22 12.491 -17.329 -4.442 1.00 25.00 H new ATOM 0 HB VAL A 22 10.786 -16.391 -2.825 1.00 25.00 H new ATOM 0 HG11 VAL A 22 12.505 -15.311 -1.375 1.00 25.00 H new ATOM 0 HG12 VAL A 22 13.123 -16.780 -2.168 1.00 25.00 H new ATOM 0 HG13 VAL A 22 13.582 -15.175 -2.785 1.00 25.00 H new ATOM 0 HG21 VAL A 22 10.757 -13.954 -2.397 1.00 25.00 H new ATOM 0 HG22 VAL A 22 11.731 -13.696 -3.864 1.00 25.00 H new ATOM 0 HG23 VAL A 22 10.090 -14.371 -3.993 1.00 25.00 H new ATOM 318 N SER A 23 9.710 -17.418 -4.781 1.00 25.00 N ATOM 319 CA SER A 23 8.376 -17.627 -5.365 1.00 25.00 C ATOM 320 C SER A 23 7.671 -16.261 -5.265 1.00 25.00 C ATOM 321 O SER A 23 8.089 -15.463 -4.420 1.00 25.00 O ATOM 322 CB SER A 23 7.639 -18.716 -4.576 1.00 25.00 C ATOM 323 OG SER A 23 7.363 -18.310 -3.248 1.00 25.00 O ATOM 0 H SER A 23 9.833 -17.826 -3.854 1.00 25.00 H new ATOM 0 HA SER A 23 8.409 -17.965 -6.401 1.00 25.00 H new ATOM 0 HB2 SER A 23 6.705 -18.962 -5.082 1.00 25.00 H new ATOM 0 HB3 SER A 23 8.242 -19.624 -4.560 1.00 25.00 H new ATOM 0 HG SER A 23 6.892 -19.029 -2.777 1.00 25.00 H new ATOM 329 N PRO A 24 6.584 -15.937 -6.040 1.00 25.00 N ATOM 330 CA PRO A 24 6.450 -14.583 -6.631 1.00 25.00 C ATOM 331 C PRO A 24 6.862 -13.454 -5.684 1.00 25.00 C ATOM 332 O PRO A 24 6.427 -13.389 -4.529 1.00 25.00 O ATOM 333 CB PRO A 24 4.955 -14.495 -6.931 1.00 25.00 C ATOM 334 CG PRO A 24 4.545 -15.895 -7.216 1.00 25.00 C ATOM 335 CD PRO A 24 5.394 -16.771 -6.333 1.00 25.00 C ATOM 0 HA PRO A 24 7.102 -14.459 -7.496 1.00 25.00 H new ATOM 0 HB2 PRO A 24 4.404 -14.086 -6.084 1.00 25.00 H new ATOM 0 HB3 PRO A 24 4.760 -13.844 -7.783 1.00 25.00 H new ATOM 0 HG2 PRO A 24 3.486 -16.041 -7.005 1.00 25.00 H new ATOM 0 HG3 PRO A 24 4.697 -16.139 -8.267 1.00 25.00 H new ATOM 0 HD2 PRO A 24 4.867 -17.049 -5.420 1.00 25.00 H new ATOM 0 HD3 PRO A 24 5.670 -17.698 -6.836 1.00 25.00 H new ATOM 343 N ALA A 25 7.723 -12.569 -6.226 1.00 25.00 N ATOM 344 CA ALA A 25 8.477 -11.581 -5.447 1.00 25.00 C ATOM 345 C ALA A 25 7.610 -10.760 -4.526 1.00 25.00 C ATOM 346 O ALA A 25 6.501 -10.348 -4.876 1.00 25.00 O ATOM 347 CB ALA A 25 9.287 -10.679 -6.365 1.00 25.00 C ATOM 0 H ALA A 25 7.912 -12.524 -7.227 1.00 25.00 H new ATOM 0 HA ALA A 25 9.155 -12.147 -4.808 1.00 25.00 H new ATOM 0 HB1 ALA A 25 9.839 -9.953 -5.768 1.00 25.00 H new ATOM 0 HB2 ALA A 25 9.988 -11.282 -6.942 1.00 25.00 H new ATOM 0 HB3 ALA A 25 8.615 -10.154 -7.044 1.00 25.00 H new ATOM 353 N GLU A 26 8.153 -10.551 -3.337 1.00 25.00 N ATOM 354 CA GLU A 26 7.421 -9.980 -2.230 1.00 25.00 C ATOM 355 C GLU A 26 8.128 -8.729 -1.697 1.00 25.00 C ATOM 356 O GLU A 26 9.208 -8.374 -2.162 1.00 25.00 O ATOM 357 CB GLU A 26 7.255 -11.021 -1.097 1.00 25.00 C ATOM 358 CG GLU A 26 7.162 -12.486 -1.537 1.00 25.00 C ATOM 359 CD GLU A 26 7.127 -13.452 -0.367 1.00 25.00 C ATOM 360 OE1 GLU A 26 8.045 -13.392 0.478 1.00 25.00 O ATOM 361 OE2 GLU A 26 6.183 -14.265 -0.295 1.00 25.00 O ATOM 0 H GLU A 26 9.123 -10.777 -3.117 1.00 25.00 H new ATOM 0 HA GLU A 26 6.433 -9.691 -2.590 1.00 25.00 H new ATOM 0 HB2 GLU A 26 8.098 -10.921 -0.413 1.00 25.00 H new ATOM 0 HB3 GLU A 26 6.355 -10.774 -0.533 1.00 25.00 H new ATOM 0 HG2 GLU A 26 6.265 -12.622 -2.142 1.00 25.00 H new ATOM 0 HG3 GLU A 26 8.015 -12.724 -2.173 1.00 25.00 H new ATOM 368 N LEU A 27 7.451 -8.018 -0.793 1.00 25.00 N ATOM 369 CA LEU A 27 8.073 -6.977 0.020 1.00 25.00 C ATOM 370 C LEU A 27 7.860 -7.320 1.491 1.00 25.00 C ATOM 371 O LEU A 27 6.721 -7.443 1.951 1.00 25.00 O ATOM 372 CB LEU A 27 7.514 -5.576 -0.312 1.00 25.00 C ATOM 373 CG LEU A 27 8.107 -4.419 0.512 1.00 25.00 C ATOM 374 CD1 LEU A 27 9.519 -4.080 0.070 1.00 25.00 C ATOM 375 CD2 LEU A 27 7.207 -3.199 0.405 1.00 25.00 C ATOM 0 H LEU A 27 6.457 -8.149 -0.606 1.00 25.00 H new ATOM 0 HA LEU A 27 9.140 -6.942 -0.201 1.00 25.00 H new ATOM 0 HB2 LEU A 27 7.689 -5.374 -1.369 1.00 25.00 H new ATOM 0 HB3 LEU A 27 6.434 -5.589 -0.164 1.00 25.00 H new ATOM 0 HG LEU A 27 8.162 -4.737 1.553 1.00 25.00 H new ATOM 0 HD11 LEU A 27 9.903 -3.259 0.675 1.00 25.00 H new ATOM 0 HD12 LEU A 27 10.159 -4.953 0.196 1.00 25.00 H new ATOM 0 HD13 LEU A 27 9.511 -3.784 -0.979 1.00 25.00 H new ATOM 0 HD21 LEU A 27 7.630 -2.382 0.990 1.00 25.00 H new ATOM 0 HD22 LEU A 27 7.128 -2.895 -0.639 1.00 25.00 H new ATOM 0 HD23 LEU A 27 6.216 -3.443 0.787 1.00 25.00 H new ATOM 387 N THR A 28 8.963 -7.463 2.220 1.00 25.00 N ATOM 388 CA THR A 28 8.910 -7.897 3.608 1.00 25.00 C ATOM 389 C THR A 28 9.359 -6.771 4.539 1.00 25.00 C ATOM 390 O THR A 28 10.543 -6.420 4.583 1.00 25.00 O ATOM 391 CB THR A 28 9.782 -9.162 3.836 1.00 25.00 C ATOM 392 OG1 THR A 28 9.273 -10.252 3.054 1.00 25.00 O ATOM 393 CG2 THR A 28 9.798 -9.585 5.306 1.00 25.00 C ATOM 0 H THR A 28 9.904 -7.284 1.870 1.00 25.00 H new ATOM 0 HA THR A 28 7.876 -8.153 3.838 1.00 25.00 H new ATOM 0 HB THR A 28 10.799 -8.913 3.534 1.00 25.00 H new ATOM 0 HG1 THR A 28 9.171 -11.043 3.623 1.00 25.00 H new ATOM 0 HG21 THR A 28 10.419 -10.473 5.422 1.00 25.00 H new ATOM 0 HG22 THR A 28 10.205 -8.776 5.913 1.00 25.00 H new ATOM 0 HG23 THR A 28 8.782 -9.808 5.632 1.00 25.00 H new ATOM 401 N TRP A 29 8.391 -6.206 5.270 1.00 25.00 N ATOM 402 CA TRP A 29 8.685 -5.248 6.328 1.00 25.00 C ATOM 403 C TRP A 29 9.008 -6.002 7.613 1.00 25.00 C ATOM 404 O TRP A 29 8.315 -6.954 7.981 1.00 25.00 O ATOM 405 CB TRP A 29 7.503 -4.275 6.559 1.00 25.00 C ATOM 406 CG TRP A 29 7.733 -3.279 7.684 1.00 25.00 C ATOM 407 CD1 TRP A 29 8.330 -2.056 7.588 1.00 25.00 C ATOM 408 CD2 TRP A 29 7.388 -3.443 9.075 1.00 25.00 C ATOM 409 NE1 TRP A 29 8.386 -1.453 8.824 1.00 25.00 N ATOM 410 CE2 TRP A 29 7.811 -2.281 9.749 1.00 25.00 C ATOM 411 CE3 TRP A 29 6.766 -4.459 9.815 1.00 25.00 C ATOM 412 CZ2 TRP A 29 7.632 -2.110 11.121 1.00 25.00 C ATOM 413 CZ3 TRP A 29 6.591 -4.281 11.174 1.00 25.00 C ATOM 414 CH2 TRP A 29 7.022 -3.116 11.813 1.00 25.00 C ATOM 0 H TRP A 29 7.398 -6.400 5.144 1.00 25.00 H new ATOM 0 HA TRP A 29 9.545 -4.651 6.024 1.00 25.00 H new ATOM 0 HB2 TRP A 29 7.311 -3.727 5.636 1.00 25.00 H new ATOM 0 HB3 TRP A 29 6.606 -4.855 6.778 1.00 25.00 H new ATOM 0 HD1 TRP A 29 8.705 -1.623 6.673 1.00 25.00 H new ATOM 0 HE1 TRP A 29 8.791 -0.537 9.019 1.00 25.00 H new ATOM 0 HE3 TRP A 29 6.430 -5.364 9.331 1.00 25.00 H new ATOM 0 HZ2 TRP A 29 7.965 -1.212 11.620 1.00 25.00 H new ATOM 0 HZ3 TRP A 29 6.112 -5.057 11.753 1.00 25.00 H new ATOM 0 HH2 TRP A 29 6.869 -3.009 12.877 1.00 25.00 H new ATOM 425 N ARG A 30 10.069 -5.567 8.273 1.00 25.00 N ATOM 426 CA ARG A 30 10.435 -6.094 9.576 1.00 25.00 C ATOM 427 C ARG A 30 10.569 -4.957 10.575 1.00 25.00 C ATOM 428 O ARG A 30 10.679 -3.792 10.184 1.00 25.00 O ATOM 429 CB ARG A 30 11.743 -6.877 9.504 1.00 25.00 C ATOM 430 CG ARG A 30 11.719 -8.056 8.546 1.00 25.00 C ATOM 431 CD ARG A 30 13.047 -8.792 8.540 1.00 25.00 C ATOM 432 NE ARG A 30 13.334 -9.487 9.806 1.00 25.00 N ATOM 433 CZ ARG A 30 14.514 -10.045 10.121 1.00 25.00 C ATOM 434 NH1 ARG A 30 15.553 -9.980 9.289 1.00 25.00 N ATOM 435 NH2 ARG A 30 14.654 -10.673 11.281 1.00 25.00 N ATOM 0 H ARG A 30 10.697 -4.843 7.923 1.00 25.00 H new ATOM 0 HA ARG A 30 9.647 -6.773 9.902 1.00 25.00 H new ATOM 0 HB2 ARG A 30 12.542 -6.198 9.205 1.00 25.00 H new ATOM 0 HB3 ARG A 30 11.990 -7.240 10.502 1.00 25.00 H new ATOM 0 HG2 ARG A 30 10.922 -8.743 8.832 1.00 25.00 H new ATOM 0 HG3 ARG A 30 11.492 -7.704 7.540 1.00 25.00 H new ATOM 0 HD2 ARG A 30 13.048 -9.518 7.727 1.00 25.00 H new ATOM 0 HD3 ARG A 30 13.847 -8.081 8.334 1.00 25.00 H new ATOM 0 HE ARG A 30 12.583 -9.549 10.493 1.00 25.00 H new ATOM 0 HH11 ARG A 30 15.460 -9.500 8.394 1.00 25.00 H new ATOM 0 HH12 ARG A 30 16.441 -10.411 9.547 1.00 25.00 H new ATOM 0 HH21 ARG A 30 13.868 -10.730 11.928 1.00 25.00 H new ATOM 0 HH22 ARG A 30 15.548 -11.099 11.526 1.00 25.00 H new ATOM 449 N SER A 31 10.552 -5.298 11.869 1.00 25.00 N ATOM 450 CA SER A 31 10.786 -4.314 12.928 1.00 25.00 C ATOM 451 C SER A 31 12.267 -3.900 12.930 1.00 25.00 C ATOM 452 O SER A 31 13.074 -4.539 12.245 1.00 25.00 O ATOM 453 CB SER A 31 10.350 -4.892 14.290 1.00 25.00 C ATOM 454 OG SER A 31 11.056 -6.074 14.635 1.00 25.00 O ATOM 0 H SER A 31 10.379 -6.245 12.205 1.00 25.00 H new ATOM 0 HA SER A 31 10.188 -3.421 12.743 1.00 25.00 H new ATOM 0 HB2 SER A 31 10.506 -4.142 15.065 1.00 25.00 H new ATOM 0 HB3 SER A 31 9.282 -5.106 14.264 1.00 25.00 H new ATOM 0 HG SER A 31 11.313 -6.037 15.580 1.00 25.00 H new ATOM 460 N THR A 32 12.631 -2.849 13.675 1.00 25.00 N ATOM 461 CA THR A 32 14.035 -2.375 13.709 1.00 25.00 C ATOM 462 C THR A 32 15.029 -3.491 14.096 1.00 25.00 C ATOM 463 O THR A 32 16.178 -3.488 13.643 1.00 25.00 O ATOM 464 CB THR A 32 14.219 -1.158 14.640 1.00 25.00 C ATOM 465 OG1 THR A 32 13.272 -0.131 14.318 1.00 25.00 O ATOM 466 CG2 THR A 32 15.643 -0.613 14.536 1.00 25.00 C ATOM 0 H THR A 32 11.989 -2.312 14.258 1.00 25.00 H new ATOM 0 HA THR A 32 14.261 -2.063 12.689 1.00 25.00 H new ATOM 0 HB THR A 32 14.045 -1.484 15.666 1.00 25.00 H new ATOM 0 HG1 THR A 32 12.365 -0.500 14.351 1.00 25.00 H new ATOM 0 HG21 THR A 32 15.754 0.245 15.199 1.00 25.00 H new ATOM 0 HG22 THR A 32 16.352 -1.389 14.825 1.00 25.00 H new ATOM 0 HG23 THR A 32 15.841 -0.305 13.509 1.00 25.00 H new ATOM 474 N ASP A 33 14.563 -4.446 14.913 1.00 25.00 N ATOM 475 CA ASP A 33 15.322 -5.670 15.207 1.00 25.00 C ATOM 476 C ASP A 33 14.804 -6.843 14.359 1.00 25.00 C ATOM 477 O ASP A 33 15.568 -7.743 13.993 1.00 25.00 O ATOM 478 CB ASP A 33 15.233 -6.020 16.700 1.00 25.00 C ATOM 479 CG ASP A 33 15.866 -4.964 17.590 1.00 25.00 C ATOM 480 OD1 ASP A 33 16.995 -4.529 17.281 1.00 25.00 O ATOM 481 OD2 ASP A 33 15.233 -4.576 18.593 1.00 25.00 O ATOM 0 H ASP A 33 13.660 -4.394 15.384 1.00 25.00 H new ATOM 0 HA ASP A 33 16.367 -5.489 14.954 1.00 25.00 H new ATOM 0 HB2 ASP A 33 14.186 -6.143 16.978 1.00 25.00 H new ATOM 0 HB3 ASP A 33 15.724 -6.977 16.874 1.00 25.00 H new ATOM 486 N GLY A 34 13.498 -6.809 14.058 1.00 25.00 N ATOM 487 CA GLY A 34 12.862 -7.799 13.194 1.00 25.00 C ATOM 488 C GLY A 34 12.013 -8.816 13.942 1.00 25.00 C ATOM 489 O GLY A 34 11.714 -9.885 13.402 1.00 25.00 O ATOM 0 H GLY A 34 12.859 -6.095 14.408 1.00 25.00 H new ATOM 0 HA2 GLY A 34 12.236 -7.283 12.466 1.00 25.00 H new ATOM 0 HA3 GLY A 34 13.634 -8.327 12.633 1.00 25.00 H new ATOM 493 N ASP A 35 11.627 -8.485 15.186 1.00 25.00 N ATOM 494 CA ASP A 35 10.714 -9.314 15.980 1.00 25.00 C ATOM 495 C ASP A 35 9.299 -9.320 15.376 1.00 25.00 C ATOM 496 O ASP A 35 8.560 -10.299 15.514 1.00 25.00 O ATOM 497 CB ASP A 35 10.670 -8.796 17.419 1.00 25.00 C ATOM 498 CG ASP A 35 10.122 -7.383 17.522 1.00 25.00 C ATOM 499 OD1 ASP A 35 10.836 -6.440 17.118 1.00 25.00 O ATOM 500 OD2 ASP A 35 8.982 -7.222 18.005 1.00 25.00 O ATOM 0 H ASP A 35 11.939 -7.640 15.664 1.00 25.00 H new ATOM 0 HA ASP A 35 11.085 -10.339 15.973 1.00 25.00 H new ATOM 0 HB2 ASP A 35 10.054 -9.464 18.022 1.00 25.00 H new ATOM 0 HB3 ASP A 35 11.675 -8.822 17.840 1.00 25.00 H new ATOM 505 N LYS A 36 8.946 -8.211 14.710 1.00 25.00 N ATOM 506 CA LYS A 36 7.694 -8.099 13.961 1.00 25.00 C ATOM 507 C LYS A 36 8.003 -8.144 12.462 1.00 25.00 C ATOM 508 O LYS A 36 8.981 -7.537 12.015 1.00 25.00 O ATOM 509 CB LYS A 36 6.987 -6.783 14.308 1.00 25.00 C ATOM 510 CG LYS A 36 6.368 -6.746 15.688 1.00 25.00 C ATOM 511 CD LYS A 36 5.701 -5.408 15.909 1.00 25.00 C ATOM 512 CE LYS A 36 6.045 -4.831 17.267 1.00 25.00 C ATOM 513 NZ LYS A 36 7.507 -4.891 17.546 1.00 25.00 N ATOM 0 H LYS A 36 9.522 -7.370 14.678 1.00 25.00 H new ATOM 0 HA LYS A 36 7.037 -8.927 14.226 1.00 25.00 H new ATOM 0 HB2 LYS A 36 7.705 -5.967 14.224 1.00 25.00 H new ATOM 0 HB3 LYS A 36 6.207 -6.599 13.569 1.00 25.00 H new ATOM 0 HG2 LYS A 36 5.638 -7.549 15.792 1.00 25.00 H new ATOM 0 HG3 LYS A 36 7.134 -6.911 16.446 1.00 25.00 H new ATOM 0 HD2 LYS A 36 6.011 -4.713 15.129 1.00 25.00 H new ATOM 0 HD3 LYS A 36 4.620 -5.521 15.824 1.00 25.00 H new ATOM 0 HE2 LYS A 36 5.709 -3.795 17.316 1.00 25.00 H new ATOM 0 HE3 LYS A 36 5.506 -5.378 18.040 1.00 25.00 H new ATOM 0 HZ1 LYS A 36 7.752 -4.185 18.269 1.00 25.00 H new ATOM 0 HZ2 LYS A 36 7.756 -5.840 17.890 1.00 25.00 H new ATOM 0 HZ3 LYS A 36 8.036 -4.690 16.673 1.00 25.00 H new ATOM 527 N VAL A 37 7.178 -8.861 11.692 1.00 25.00 N ATOM 528 CA VAL A 37 7.426 -9.024 10.255 1.00 25.00 C ATOM 529 C VAL A 37 6.105 -9.120 9.451 1.00 25.00 C ATOM 530 O VAL A 37 5.191 -9.863 9.822 1.00 25.00 O ATOM 531 CB VAL A 37 8.375 -10.249 9.986 1.00 25.00 C ATOM 532 CG1 VAL A 37 7.841 -11.558 10.577 1.00 25.00 C ATOM 533 CG2 VAL A 37 8.680 -10.403 8.498 1.00 25.00 C ATOM 0 H VAL A 37 6.341 -9.333 12.034 1.00 25.00 H new ATOM 0 HA VAL A 37 7.938 -8.130 9.900 1.00 25.00 H new ATOM 0 HB VAL A 37 9.308 -10.030 10.505 1.00 25.00 H new ATOM 0 HG11 VAL A 37 8.538 -12.367 10.359 1.00 25.00 H new ATOM 0 HG12 VAL A 37 7.733 -11.453 11.657 1.00 25.00 H new ATOM 0 HG13 VAL A 37 6.871 -11.787 10.136 1.00 25.00 H new ATOM 0 HG21 VAL A 37 9.338 -11.259 8.348 1.00 25.00 H new ATOM 0 HG22 VAL A 37 7.751 -10.560 7.950 1.00 25.00 H new ATOM 0 HG23 VAL A 37 9.169 -9.501 8.132 1.00 25.00 H new ATOM 543 N HIS A 38 6.036 -8.348 8.355 1.00 25.00 N ATOM 544 CA HIS A 38 4.887 -8.356 7.439 1.00 25.00 C ATOM 545 C HIS A 38 5.378 -8.585 6.000 1.00 25.00 C ATOM 546 O HIS A 38 6.488 -8.173 5.652 1.00 25.00 O ATOM 547 CB HIS A 38 4.114 -7.028 7.547 1.00 25.00 C ATOM 548 CG HIS A 38 3.508 -6.770 8.898 1.00 25.00 C ATOM 549 ND1 HIS A 38 2.422 -7.472 9.384 1.00 25.00 N ATOM 550 CD2 HIS A 38 3.847 -5.889 9.873 1.00 25.00 C ATOM 551 CE1 HIS A 38 2.119 -7.031 10.592 1.00 25.00 C ATOM 552 NE2 HIS A 38 2.969 -6.074 10.912 1.00 25.00 N ATOM 0 H HIS A 38 6.775 -7.701 8.080 1.00 25.00 H new ATOM 0 HA HIS A 38 4.211 -9.166 7.712 1.00 25.00 H new ATOM 0 HB2 HIS A 38 4.789 -6.208 7.303 1.00 25.00 H new ATOM 0 HB3 HIS A 38 3.321 -7.022 6.799 1.00 25.00 H new ATOM 0 HD2 HIS A 38 4.657 -5.175 9.838 1.00 25.00 H new ATOM 0 HE1 HIS A 38 1.312 -7.393 11.212 1.00 25.00 H new ATOM 0 HE2 HIS A 38 2.973 -5.555 11.790 1.00 25.00 H new ATOM 561 N THR A 39 4.549 -9.239 5.172 1.00 25.00 N ATOM 562 CA THR A 39 4.942 -9.585 3.799 1.00 25.00 C ATOM 563 C THR A 39 3.886 -9.132 2.770 1.00 25.00 C ATOM 564 O THR A 39 2.680 -9.187 3.027 1.00 25.00 O ATOM 565 CB THR A 39 5.211 -11.113 3.672 1.00 25.00 C ATOM 566 OG1 THR A 39 6.260 -11.494 4.572 1.00 25.00 O ATOM 567 CG2 THR A 39 5.617 -11.518 2.252 1.00 25.00 C ATOM 0 H THR A 39 3.608 -9.537 5.428 1.00 25.00 H new ATOM 0 HA THR A 39 5.865 -9.049 3.579 1.00 25.00 H new ATOM 0 HB THR A 39 4.280 -11.623 3.918 1.00 25.00 H new ATOM 0 HG1 THR A 39 6.426 -12.456 4.492 1.00 25.00 H new ATOM 0 HG21 THR A 39 5.793 -12.593 2.217 1.00 25.00 H new ATOM 0 HG22 THR A 39 4.818 -11.258 1.557 1.00 25.00 H new ATOM 0 HG23 THR A 39 6.529 -10.991 1.970 1.00 25.00 H new ATOM 575 N VAL A 40 4.383 -8.687 1.606 1.00 25.00 N ATOM 576 CA VAL A 40 3.552 -8.233 0.482 1.00 25.00 C ATOM 577 C VAL A 40 4.010 -8.934 -0.810 1.00 25.00 C ATOM 578 O VAL A 40 5.055 -8.596 -1.356 1.00 25.00 O ATOM 579 CB VAL A 40 3.660 -6.675 0.296 1.00 25.00 C ATOM 580 CG1 VAL A 40 2.753 -6.131 -0.811 1.00 25.00 C ATOM 581 CG2 VAL A 40 3.364 -5.936 1.592 1.00 25.00 C ATOM 0 H VAL A 40 5.384 -8.632 1.417 1.00 25.00 H new ATOM 0 HA VAL A 40 2.514 -8.485 0.697 1.00 25.00 H new ATOM 0 HB VAL A 40 4.693 -6.495 -0.002 1.00 25.00 H new ATOM 0 HG11 VAL A 40 2.877 -5.051 -0.885 1.00 25.00 H new ATOM 0 HG12 VAL A 40 3.021 -6.593 -1.761 1.00 25.00 H new ATOM 0 HG13 VAL A 40 1.714 -6.361 -0.576 1.00 25.00 H new ATOM 0 HG21 VAL A 40 3.448 -4.862 1.426 1.00 25.00 H new ATOM 0 HG22 VAL A 40 2.353 -6.174 1.924 1.00 25.00 H new ATOM 0 HG23 VAL A 40 4.078 -6.242 2.356 1.00 25.00 H new ATOM 591 N VAL A 41 3.212 -9.884 -1.312 1.00 25.00 N ATOM 592 CA VAL A 41 3.510 -10.549 -2.586 1.00 25.00 C ATOM 593 C VAL A 41 3.004 -9.659 -3.734 1.00 25.00 C ATOM 594 O VAL A 41 1.814 -9.346 -3.796 1.00 25.00 O ATOM 595 CB VAL A 41 2.862 -11.971 -2.665 1.00 25.00 C ATOM 596 CG1 VAL A 41 3.195 -12.675 -3.981 1.00 25.00 C ATOM 597 CG2 VAL A 41 3.328 -12.836 -1.497 1.00 25.00 C ATOM 0 H VAL A 41 2.358 -10.208 -0.858 1.00 25.00 H new ATOM 0 HA VAL A 41 4.588 -10.689 -2.667 1.00 25.00 H new ATOM 0 HB VAL A 41 1.782 -11.835 -2.613 1.00 25.00 H new ATOM 0 HG11 VAL A 41 2.726 -13.659 -3.996 1.00 25.00 H new ATOM 0 HG12 VAL A 41 2.821 -12.082 -4.816 1.00 25.00 H new ATOM 0 HG13 VAL A 41 4.276 -12.786 -4.071 1.00 25.00 H new ATOM 0 HG21 VAL A 41 2.868 -13.821 -1.568 1.00 25.00 H new ATOM 0 HG22 VAL A 41 4.413 -12.939 -1.530 1.00 25.00 H new ATOM 0 HG23 VAL A 41 3.037 -12.366 -0.557 1.00 25.00 H new ATOM 607 N LEU A 42 3.912 -9.249 -4.630 1.00 25.00 N ATOM 608 CA LEU A 42 3.573 -8.255 -5.665 1.00 25.00 C ATOM 609 C LEU A 42 2.716 -8.823 -6.801 1.00 25.00 C ATOM 610 O LEU A 42 2.044 -8.061 -7.505 1.00 25.00 O ATOM 611 CB LEU A 42 4.825 -7.590 -6.284 1.00 25.00 C ATOM 612 CG LEU A 42 5.551 -6.483 -5.476 1.00 25.00 C ATOM 613 CD1 LEU A 42 4.573 -5.489 -4.875 1.00 25.00 C ATOM 614 CD2 LEU A 42 6.433 -7.069 -4.388 1.00 25.00 C ATOM 0 H LEU A 42 4.875 -9.583 -4.662 1.00 25.00 H new ATOM 0 HA LEU A 42 2.989 -7.506 -5.130 1.00 25.00 H new ATOM 0 HB2 LEU A 42 5.549 -8.377 -6.493 1.00 25.00 H new ATOM 0 HB3 LEU A 42 4.533 -7.163 -7.243 1.00 25.00 H new ATOM 0 HG LEU A 42 6.187 -5.950 -6.184 1.00 25.00 H new ATOM 0 HD11 LEU A 42 5.122 -4.730 -4.317 1.00 25.00 H new ATOM 0 HD12 LEU A 42 4.003 -5.012 -5.672 1.00 25.00 H new ATOM 0 HD13 LEU A 42 3.891 -6.010 -4.203 1.00 25.00 H new ATOM 0 HD21 LEU A 42 6.924 -6.262 -3.844 1.00 25.00 H new ATOM 0 HD22 LEU A 42 5.822 -7.652 -3.699 1.00 25.00 H new ATOM 0 HD23 LEU A 42 7.187 -7.714 -4.839 1.00 25.00 H new ATOM 626 N SER A 43 2.736 -10.155 -6.985 1.00 25.00 N ATOM 627 CA SER A 43 1.874 -10.819 -7.981 1.00 25.00 C ATOM 628 C SER A 43 0.394 -10.736 -7.556 1.00 25.00 C ATOM 629 O SER A 43 -0.507 -11.167 -8.283 1.00 25.00 O ATOM 630 CB SER A 43 2.315 -12.280 -8.166 1.00 25.00 C ATOM 631 OG SER A 43 2.029 -13.066 -7.019 1.00 25.00 O ATOM 0 H SER A 43 3.336 -10.791 -6.460 1.00 25.00 H new ATOM 0 HA SER A 43 1.976 -10.305 -8.937 1.00 25.00 H new ATOM 0 HB2 SER A 43 1.810 -12.705 -9.033 1.00 25.00 H new ATOM 0 HB3 SER A 43 3.385 -12.314 -8.372 1.00 25.00 H new ATOM 0 HG SER A 43 2.321 -13.989 -7.173 1.00 25.00 H new ATOM 637 N THR A 44 0.181 -10.164 -6.361 1.00 25.00 N ATOM 638 CA THR A 44 -1.150 -9.928 -5.803 1.00 25.00 C ATOM 639 C THR A 44 -1.410 -8.414 -5.666 1.00 25.00 C ATOM 640 O THR A 44 -2.444 -7.992 -5.138 1.00 25.00 O ATOM 641 CB THR A 44 -1.315 -10.612 -4.413 1.00 25.00 C ATOM 642 OG1 THR A 44 -0.542 -9.934 -3.413 1.00 25.00 O ATOM 643 CG2 THR A 44 -0.879 -12.072 -4.454 1.00 25.00 C ATOM 0 H THR A 44 0.938 -9.851 -5.753 1.00 25.00 H new ATOM 0 HA THR A 44 -1.877 -10.364 -6.488 1.00 25.00 H new ATOM 0 HB THR A 44 -2.374 -10.560 -4.161 1.00 25.00 H new ATOM 0 HG1 THR A 44 0.260 -9.550 -3.824 1.00 25.00 H new ATOM 0 HG21 THR A 44 -1.008 -12.518 -3.468 1.00 25.00 H new ATOM 0 HG22 THR A 44 -1.487 -12.613 -5.179 1.00 25.00 H new ATOM 0 HG23 THR A 44 0.170 -12.130 -4.745 1.00 25.00 H new ATOM 651 N ILE A 45 -0.447 -7.615 -6.154 1.00 25.00 N ATOM 652 CA ILE A 45 -0.485 -6.148 -6.069 1.00 25.00 C ATOM 653 C ILE A 45 -0.668 -5.551 -7.472 1.00 25.00 C ATOM 654 O ILE A 45 -0.148 -6.086 -8.454 1.00 25.00 O ATOM 655 CB ILE A 45 0.828 -5.608 -5.398 1.00 25.00 C ATOM 656 CG1 ILE A 45 1.018 -6.205 -3.968 1.00 25.00 C ATOM 657 CG2 ILE A 45 0.891 -4.072 -5.356 1.00 25.00 C ATOM 658 CD1 ILE A 45 -0.060 -5.859 -2.937 1.00 25.00 C ATOM 0 H ILE A 45 0.386 -7.973 -6.622 1.00 25.00 H new ATOM 0 HA ILE A 45 -1.330 -5.846 -5.450 1.00 25.00 H new ATOM 0 HB ILE A 45 1.652 -5.941 -6.029 1.00 25.00 H new ATOM 0 HG12 ILE A 45 1.072 -7.290 -4.055 1.00 25.00 H new ATOM 0 HG13 ILE A 45 1.980 -5.868 -3.582 1.00 25.00 H new ATOM 0 HG21 ILE A 45 1.821 -3.759 -4.881 1.00 25.00 H new ATOM 0 HG22 ILE A 45 0.852 -3.678 -6.372 1.00 25.00 H new ATOM 0 HG23 ILE A 45 0.045 -3.689 -4.785 1.00 25.00 H new ATOM 0 HD11 ILE A 45 0.183 -6.331 -1.985 1.00 25.00 H new ATOM 0 HD12 ILE A 45 -0.104 -4.778 -2.806 1.00 25.00 H new ATOM 0 HD13 ILE A 45 -1.027 -6.222 -3.286 1.00 25.00 H new ATOM 670 N ASP A 46 -1.411 -4.437 -7.543 1.00 25.00 N ATOM 671 CA ASP A 46 -1.729 -3.787 -8.816 1.00 25.00 C ATOM 672 C ASP A 46 -1.075 -2.395 -8.921 1.00 25.00 C ATOM 673 O ASP A 46 -0.501 -2.061 -9.961 1.00 25.00 O ATOM 674 CB ASP A 46 -3.261 -3.699 -8.980 1.00 25.00 C ATOM 675 CG ASP A 46 -3.703 -3.146 -10.329 1.00 25.00 C ATOM 676 OD1 ASP A 46 -3.397 -3.781 -11.360 1.00 25.00 O ATOM 677 OD2 ASP A 46 -4.356 -2.082 -10.348 1.00 25.00 O ATOM 0 H ASP A 46 -1.803 -3.968 -6.727 1.00 25.00 H new ATOM 0 HA ASP A 46 -1.319 -4.389 -9.627 1.00 25.00 H new ATOM 0 HB2 ASP A 46 -3.689 -4.693 -8.847 1.00 25.00 H new ATOM 0 HB3 ASP A 46 -3.666 -3.069 -8.189 1.00 25.00 H new ATOM 682 N LYS A 47 -1.169 -1.592 -7.846 1.00 25.00 N ATOM 683 CA LYS A 47 -0.661 -0.221 -7.852 1.00 25.00 C ATOM 684 C LYS A 47 0.192 0.100 -6.614 1.00 25.00 C ATOM 685 O LYS A 47 0.233 -0.674 -5.657 1.00 25.00 O ATOM 686 CB LYS A 47 -1.844 0.746 -7.929 1.00 25.00 C ATOM 687 CG LYS A 47 -2.627 0.615 -9.205 1.00 25.00 C ATOM 688 CD LYS A 47 -3.789 1.614 -9.310 1.00 25.00 C ATOM 689 CE LYS A 47 -5.090 1.073 -8.716 1.00 25.00 C ATOM 690 NZ LYS A 47 -5.766 0.112 -9.632 1.00 25.00 N ATOM 0 H LYS A 47 -1.594 -1.876 -6.963 1.00 25.00 H new ATOM 0 HA LYS A 47 -0.013 -0.110 -8.721 1.00 25.00 H new ATOM 0 HB2 LYS A 47 -2.507 0.568 -7.082 1.00 25.00 H new ATOM 0 HB3 LYS A 47 -1.477 1.768 -7.838 1.00 25.00 H new ATOM 0 HG2 LYS A 47 -1.956 0.759 -10.052 1.00 25.00 H new ATOM 0 HG3 LYS A 47 -3.021 -0.399 -9.279 1.00 25.00 H new ATOM 0 HD2 LYS A 47 -3.517 2.537 -8.797 1.00 25.00 H new ATOM 0 HD3 LYS A 47 -3.951 1.867 -10.358 1.00 25.00 H new ATOM 0 HE2 LYS A 47 -4.878 0.581 -7.767 1.00 25.00 H new ATOM 0 HE3 LYS A 47 -5.763 1.903 -8.501 1.00 25.00 H new ATOM 0 HZ1 LYS A 47 -6.765 0.017 -9.360 1.00 25.00 H new ATOM 0 HZ2 LYS A 47 -5.705 0.462 -10.609 1.00 25.00 H new ATOM 0 HZ3 LYS A 47 -5.300 -0.816 -9.567 1.00 25.00 H new ATOM 704 N LEU A 48 0.890 1.257 -6.669 1.00 25.00 N ATOM 705 CA LEU A 48 1.733 1.755 -5.557 1.00 25.00 C ATOM 706 C LEU A 48 1.710 3.292 -5.563 1.00 25.00 C ATOM 707 O LEU A 48 1.950 3.906 -6.608 1.00 25.00 O ATOM 708 CB LEU A 48 3.203 1.273 -5.682 1.00 25.00 C ATOM 709 CG LEU A 48 3.578 0.569 -6.980 1.00 25.00 C ATOM 710 CD1 LEU A 48 3.521 1.509 -8.174 1.00 25.00 C ATOM 711 CD2 LEU A 48 4.951 -0.004 -6.860 1.00 25.00 C ATOM 0 H LEU A 48 0.885 1.871 -7.484 1.00 25.00 H new ATOM 0 HA LEU A 48 1.328 1.361 -4.625 1.00 25.00 H new ATOM 0 HB2 LEU A 48 3.857 2.137 -5.561 1.00 25.00 H new ATOM 0 HB3 LEU A 48 3.412 0.596 -4.854 1.00 25.00 H new ATOM 0 HG LEU A 48 2.852 -0.226 -7.148 1.00 25.00 H new ATOM 0 HD11 LEU A 48 3.796 0.966 -9.078 1.00 25.00 H new ATOM 0 HD12 LEU A 48 2.510 1.902 -8.280 1.00 25.00 H new ATOM 0 HD13 LEU A 48 4.217 2.334 -8.021 1.00 25.00 H new ATOM 0 HD21 LEU A 48 5.218 -0.507 -7.789 1.00 25.00 H new ATOM 0 HD22 LEU A 48 5.664 0.797 -6.664 1.00 25.00 H new ATOM 0 HD23 LEU A 48 4.976 -0.721 -6.039 1.00 25.00 H new ATOM 723 N GLN A 49 1.420 3.912 -4.406 1.00 25.00 N ATOM 724 CA GLN A 49 1.286 5.382 -4.326 1.00 25.00 C ATOM 725 C GLN A 49 2.124 5.965 -3.171 1.00 25.00 C ATOM 726 O GLN A 49 1.840 5.707 -2.000 1.00 25.00 O ATOM 727 CB GLN A 49 -0.205 5.777 -4.171 1.00 25.00 C ATOM 728 CG GLN A 49 -1.047 5.578 -5.435 1.00 25.00 C ATOM 729 CD GLN A 49 -2.480 6.068 -5.293 1.00 25.00 C ATOM 730 OE1 GLN A 49 -2.916 6.440 -4.203 1.00 25.00 O ATOM 731 NE2 GLN A 49 -3.221 6.064 -6.395 1.00 25.00 N ATOM 0 H GLN A 49 1.275 3.427 -3.521 1.00 25.00 H new ATOM 0 HA GLN A 49 1.669 5.804 -5.255 1.00 25.00 H new ATOM 0 HB2 GLN A 49 -0.641 5.191 -3.362 1.00 25.00 H new ATOM 0 HB3 GLN A 49 -0.262 6.824 -3.872 1.00 25.00 H new ATOM 0 HG2 GLN A 49 -0.573 6.103 -6.264 1.00 25.00 H new ATOM 0 HG3 GLN A 49 -1.057 4.519 -5.692 1.00 25.00 H new ATOM 0 HE21 GLN A 49 -2.820 5.748 -7.278 1.00 25.00 H new ATOM 0 HE22 GLN A 49 -4.191 6.377 -6.358 1.00 25.00 H new ATOM 740 N ALA A 50 3.148 6.768 -3.516 1.00 25.00 N ATOM 741 CA ALA A 50 4.090 7.325 -2.525 1.00 25.00 C ATOM 742 C ALA A 50 3.994 8.854 -2.408 1.00 25.00 C ATOM 743 O ALA A 50 3.579 9.535 -3.351 1.00 25.00 O ATOM 744 CB ALA A 50 5.510 6.916 -2.886 1.00 25.00 C ATOM 0 H ALA A 50 3.345 7.047 -4.477 1.00 25.00 H new ATOM 0 HA ALA A 50 3.818 6.917 -1.552 1.00 25.00 H new ATOM 0 HB1 ALA A 50 6.205 7.328 -2.154 1.00 25.00 H new ATOM 0 HB2 ALA A 50 5.586 5.829 -2.887 1.00 25.00 H new ATOM 0 HB3 ALA A 50 5.758 7.298 -3.876 1.00 25.00 H new ATOM 750 N THR A 51 4.391 9.379 -1.225 1.00 25.00 N ATOM 751 CA THR A 51 4.337 10.825 -0.919 1.00 25.00 C ATOM 752 C THR A 51 5.424 11.612 -1.687 1.00 25.00 C ATOM 753 O THR A 51 6.610 11.290 -1.564 1.00 25.00 O ATOM 754 CB THR A 51 4.512 11.109 0.600 1.00 25.00 C ATOM 755 OG1 THR A 51 5.713 10.496 1.088 1.00 25.00 O ATOM 756 CG2 THR A 51 3.323 10.594 1.411 1.00 25.00 C ATOM 0 H THR A 51 4.756 8.813 -0.459 1.00 25.00 H new ATOM 0 HA THR A 51 3.348 11.157 -1.236 1.00 25.00 H new ATOM 0 HB THR A 51 4.572 12.191 0.721 1.00 25.00 H new ATOM 0 HG1 THR A 51 6.408 10.543 0.398 1.00 25.00 H new ATOM 0 HG21 THR A 51 3.482 10.811 2.467 1.00 25.00 H new ATOM 0 HG22 THR A 51 2.411 11.086 1.073 1.00 25.00 H new ATOM 0 HG23 THR A 51 3.227 9.517 1.272 1.00 25.00 H new ATOM 764 N PRO A 52 5.041 12.655 -2.500 1.00 25.00 N ATOM 765 CA PRO A 52 6.014 13.552 -3.176 1.00 25.00 C ATOM 766 C PRO A 52 6.955 14.273 -2.195 1.00 25.00 C ATOM 767 O PRO A 52 6.698 14.310 -0.988 1.00 25.00 O ATOM 768 CB PRO A 52 5.136 14.593 -3.880 1.00 25.00 C ATOM 769 CG PRO A 52 3.785 13.979 -4.005 1.00 25.00 C ATOM 770 CD PRO A 52 3.644 13.013 -2.851 1.00 25.00 C ATOM 0 HA PRO A 52 6.661 12.980 -3.841 1.00 25.00 H new ATOM 0 HB2 PRO A 52 5.092 15.518 -3.305 1.00 25.00 H new ATOM 0 HB3 PRO A 52 5.541 14.846 -4.860 1.00 25.00 H new ATOM 0 HG2 PRO A 52 3.007 14.742 -3.969 1.00 25.00 H new ATOM 0 HG3 PRO A 52 3.681 13.462 -4.959 1.00 25.00 H new ATOM 0 HD2 PRO A 52 3.127 13.473 -2.008 1.00 25.00 H new ATOM 0 HD3 PRO A 52 3.068 12.133 -3.137 1.00 25.00 H new ATOM 778 N ALA A 53 8.039 14.855 -2.739 1.00 25.00 N ATOM 779 CA ALA A 53 9.026 15.605 -1.945 1.00 25.00 C ATOM 780 C ALA A 53 8.507 16.991 -1.535 1.00 25.00 C ATOM 781 O ALA A 53 9.150 17.698 -0.753 1.00 25.00 O ATOM 782 CB ALA A 53 10.332 15.732 -2.721 1.00 25.00 C ATOM 0 H ALA A 53 8.254 14.819 -3.735 1.00 25.00 H new ATOM 0 HA ALA A 53 9.204 15.045 -1.027 1.00 25.00 H new ATOM 0 HB1 ALA A 53 11.056 16.288 -2.126 1.00 25.00 H new ATOM 0 HB2 ALA A 53 10.726 14.739 -2.936 1.00 25.00 H new ATOM 0 HB3 ALA A 53 10.149 16.260 -3.657 1.00 25.00 H new ATOM 788 N SER A 54 7.342 17.362 -2.079 1.00 25.00 N ATOM 789 CA SER A 54 6.646 18.594 -1.704 1.00 25.00 C ATOM 790 C SER A 54 5.557 18.315 -0.662 1.00 25.00 C ATOM 791 O SER A 54 5.082 19.233 0.014 1.00 25.00 O ATOM 792 CB SER A 54 6.025 19.239 -2.938 1.00 25.00 C ATOM 793 OG SER A 54 5.003 18.424 -3.485 1.00 25.00 O ATOM 0 H SER A 54 6.857 16.816 -2.791 1.00 25.00 H new ATOM 0 HA SER A 54 7.375 19.276 -1.266 1.00 25.00 H new ATOM 0 HB2 SER A 54 5.614 20.213 -2.674 1.00 25.00 H new ATOM 0 HB3 SER A 54 6.797 19.411 -3.688 1.00 25.00 H new ATOM 0 HG SER A 54 4.622 18.863 -4.274 1.00 25.00 H new ATOM 799 N SER A 55 5.180 17.033 -0.545 1.00 25.00 N ATOM 800 CA SER A 55 4.146 16.582 0.390 1.00 25.00 C ATOM 801 C SER A 55 4.599 16.646 1.849 1.00 25.00 C ATOM 802 O SER A 55 5.748 16.338 2.177 1.00 25.00 O ATOM 803 CB SER A 55 3.717 15.163 0.038 1.00 25.00 C ATOM 804 OG SER A 55 2.812 14.666 1.004 1.00 25.00 O ATOM 0 H SER A 55 5.587 16.280 -1.099 1.00 25.00 H new ATOM 0 HA SER A 55 3.301 17.264 0.290 1.00 25.00 H new ATOM 0 HB2 SER A 55 3.250 15.152 -0.947 1.00 25.00 H new ATOM 0 HB3 SER A 55 4.592 14.515 -0.017 1.00 25.00 H new ATOM 0 HG SER A 55 2.544 13.755 0.763 1.00 25.00 H new ATOM 810 N GLU A 56 3.655 17.063 2.710 1.00 25.00 N ATOM 811 CA GLU A 56 3.827 17.086 4.176 1.00 25.00 C ATOM 812 C GLU A 56 4.114 15.702 4.743 1.00 25.00 C ATOM 813 O GLU A 56 4.701 15.558 5.819 1.00 25.00 O ATOM 814 CB GLU A 56 2.539 17.591 4.823 1.00 25.00 C ATOM 815 CG GLU A 56 2.061 18.920 4.279 1.00 25.00 C ATOM 816 CD GLU A 56 1.519 18.816 2.866 1.00 25.00 C ATOM 817 OE1 GLU A 56 0.566 18.036 2.652 1.00 25.00 O ATOM 818 OE2 GLU A 56 2.045 19.516 1.974 1.00 25.00 O ATOM 0 H GLU A 56 2.741 17.398 2.406 1.00 25.00 H new ATOM 0 HA GLU A 56 4.674 17.738 4.392 1.00 25.00 H new ATOM 0 HB2 GLU A 56 1.755 16.847 4.679 1.00 25.00 H new ATOM 0 HB3 GLU A 56 2.696 17.684 5.898 1.00 25.00 H new ATOM 0 HG2 GLU A 56 1.284 19.317 4.933 1.00 25.00 H new ATOM 0 HG3 GLU A 56 2.886 19.632 4.295 1.00 25.00 H new ATOM 825 N LYS A 57 3.680 14.703 3.989 1.00 25.00 N ATOM 826 CA LYS A 57 3.647 13.333 4.429 1.00 25.00 C ATOM 827 C LYS A 57 4.893 12.548 4.037 1.00 25.00 C ATOM 828 O LYS A 57 5.571 12.874 3.058 1.00 25.00 O ATOM 829 CB LYS A 57 2.430 12.663 3.816 1.00 25.00 C ATOM 830 CG LYS A 57 1.094 13.231 4.247 1.00 25.00 C ATOM 831 CD LYS A 57 -0.080 12.395 3.789 1.00 25.00 C ATOM 832 CE LYS A 57 -1.361 13.040 4.259 1.00 25.00 C ATOM 833 NZ LYS A 57 -1.429 13.144 5.744 1.00 25.00 N ATOM 0 H LYS A 57 3.336 14.834 3.038 1.00 25.00 H new ATOM 0 HA LYS A 57 3.603 13.338 5.518 1.00 25.00 H new ATOM 0 HB2 LYS A 57 2.504 12.735 2.731 1.00 25.00 H new ATOM 0 HB3 LYS A 57 2.454 11.603 4.068 1.00 25.00 H new ATOM 0 HG2 LYS A 57 1.073 13.311 5.334 1.00 25.00 H new ATOM 0 HG3 LYS A 57 0.990 14.241 3.851 1.00 25.00 H new ATOM 0 HD2 LYS A 57 -0.079 12.309 2.702 1.00 25.00 H new ATOM 0 HD3 LYS A 57 0.000 11.384 4.188 1.00 25.00 H new ATOM 0 HE2 LYS A 57 -1.445 14.035 3.823 1.00 25.00 H new ATOM 0 HE3 LYS A 57 -2.211 12.461 3.898 1.00 25.00 H new ATOM 0 HZ1 LYS A 57 -2.419 13.266 6.038 1.00 25.00 H new ATOM 0 HZ2 LYS A 57 -1.045 12.277 6.171 1.00 25.00 H new ATOM 0 HZ3 LYS A 57 -0.870 13.962 6.061 1.00 25.00 H new ATOM 847 N MET A 58 5.178 11.513 4.829 1.00 25.00 N ATOM 848 CA MET A 58 6.183 10.515 4.484 1.00 25.00 C ATOM 849 C MET A 58 5.544 9.131 4.539 1.00 25.00 C ATOM 850 O MET A 58 5.412 8.537 5.613 1.00 25.00 O ATOM 851 CB MET A 58 7.375 10.602 5.446 1.00 25.00 C ATOM 852 CG MET A 58 8.118 11.935 5.387 1.00 25.00 C ATOM 853 SD MET A 58 9.482 12.037 6.568 1.00 25.00 S ATOM 854 CE MET A 58 8.606 12.256 8.118 1.00 25.00 C ATOM 0 H MET A 58 4.718 11.346 5.724 1.00 25.00 H new ATOM 0 HA MET A 58 6.554 10.701 3.476 1.00 25.00 H new ATOM 0 HB2 MET A 58 7.021 10.439 6.464 1.00 25.00 H new ATOM 0 HB3 MET A 58 8.073 9.797 5.218 1.00 25.00 H new ATOM 0 HG2 MET A 58 8.506 12.084 4.379 1.00 25.00 H new ATOM 0 HG3 MET A 58 7.415 12.745 5.581 1.00 25.00 H new ATOM 0 HE1 MET A 58 9.320 12.475 8.912 1.00 25.00 H new ATOM 0 HE2 MET A 58 7.902 13.083 8.024 1.00 25.00 H new ATOM 0 HE3 MET A 58 8.063 11.343 8.361 1.00 25.00 H new ATOM 864 N MET A 59 5.140 8.626 3.361 1.00 25.00 N ATOM 865 CA MET A 59 4.389 7.371 3.250 1.00 25.00 C ATOM 866 C MET A 59 4.560 6.734 1.875 1.00 25.00 C ATOM 867 O MET A 59 4.835 7.420 0.885 1.00 25.00 O ATOM 868 CB MET A 59 2.894 7.621 3.509 1.00 25.00 C ATOM 869 CG MET A 59 2.044 6.355 3.589 1.00 25.00 C ATOM 870 SD MET A 59 0.748 6.334 4.875 1.00 25.00 S ATOM 871 CE MET A 59 1.627 6.084 6.419 1.00 25.00 C ATOM 0 H MET A 59 5.325 9.076 2.465 1.00 25.00 H new ATOM 0 HA MET A 59 4.786 6.686 4.000 1.00 25.00 H new ATOM 0 HB2 MET A 59 2.788 8.174 4.442 1.00 25.00 H new ATOM 0 HB3 MET A 59 2.502 8.257 2.715 1.00 25.00 H new ATOM 0 HG2 MET A 59 1.568 6.200 2.621 1.00 25.00 H new ATOM 0 HG3 MET A 59 2.708 5.507 3.757 1.00 25.00 H new ATOM 0 HE1 MET A 59 0.958 5.627 7.149 1.00 25.00 H new ATOM 0 HE2 MET A 59 2.481 5.428 6.249 1.00 25.00 H new ATOM 0 HE3 MET A 59 1.976 7.044 6.798 1.00 25.00 H new ATOM 881 N LEU A 60 4.390 5.409 1.837 1.00 25.00 N ATOM 882 CA LEU A 60 4.439 4.636 0.602 1.00 25.00 C ATOM 883 C LEU A 60 3.303 3.618 0.609 1.00 25.00 C ATOM 884 O LEU A 60 3.248 2.745 1.479 1.00 25.00 O ATOM 885 CB LEU A 60 5.801 3.927 0.478 1.00 25.00 C ATOM 886 CG LEU A 60 5.952 2.917 -0.673 1.00 25.00 C ATOM 887 CD1 LEU A 60 5.869 3.621 -2.004 1.00 25.00 C ATOM 888 CD2 LEU A 60 7.257 2.147 -0.608 1.00 25.00 C ATOM 0 H LEU A 60 4.214 4.844 2.668 1.00 25.00 H new ATOM 0 HA LEU A 60 4.321 5.300 -0.255 1.00 25.00 H new ATOM 0 HB2 LEU A 60 6.572 4.689 0.365 1.00 25.00 H new ATOM 0 HB3 LEU A 60 6.001 3.407 1.415 1.00 25.00 H new ATOM 0 HG LEU A 60 5.134 2.205 -0.567 1.00 25.00 H new ATOM 0 HD11 LEU A 60 5.978 2.893 -2.808 1.00 25.00 H new ATOM 0 HD12 LEU A 60 4.903 4.118 -2.093 1.00 25.00 H new ATOM 0 HD13 LEU A 60 6.666 4.361 -2.075 1.00 25.00 H new ATOM 0 HD21 LEU A 60 7.310 1.449 -1.444 1.00 25.00 H new ATOM 0 HD22 LEU A 60 8.094 2.844 -0.663 1.00 25.00 H new ATOM 0 HD23 LEU A 60 7.307 1.594 0.330 1.00 25.00 H new ATOM 900 N ARG A 61 2.401 3.728 -0.368 1.00 25.00 N ATOM 901 CA ARG A 61 1.223 2.863 -0.428 1.00 25.00 C ATOM 902 C ARG A 61 1.398 1.736 -1.441 1.00 25.00 C ATOM 903 O ARG A 61 2.057 1.898 -2.472 1.00 25.00 O ATOM 904 CB ARG A 61 -0.038 3.661 -0.766 1.00 25.00 C ATOM 905 CG ARG A 61 -0.337 4.822 0.174 1.00 25.00 C ATOM 906 CD ARG A 61 -1.834 4.938 0.454 1.00 25.00 C ATOM 907 NE ARG A 61 -2.566 5.602 -0.638 1.00 25.00 N ATOM 908 CZ ARG A 61 -3.894 5.574 -0.799 1.00 25.00 C ATOM 909 NH1 ARG A 61 -4.684 4.950 0.071 1.00 25.00 N ATOM 910 NH2 ARG A 61 -4.440 6.190 -1.840 1.00 25.00 N ATOM 0 H ARG A 61 2.464 4.407 -1.127 1.00 25.00 H new ATOM 0 HA ARG A 61 1.110 2.424 0.563 1.00 25.00 H new ATOM 0 HB2 ARG A 61 0.057 4.049 -1.780 1.00 25.00 H new ATOM 0 HB3 ARG A 61 -0.891 2.982 -0.763 1.00 25.00 H new ATOM 0 HG2 ARG A 61 0.201 4.681 1.112 1.00 25.00 H new ATOM 0 HG3 ARG A 61 0.026 5.751 -0.265 1.00 25.00 H new ATOM 0 HD2 ARG A 61 -2.248 3.942 0.611 1.00 25.00 H new ATOM 0 HD3 ARG A 61 -1.985 5.495 1.379 1.00 25.00 H new ATOM 0 HE ARG A 61 -2.019 6.123 -1.324 1.00 25.00 H new ATOM 0 HH11 ARG A 61 -4.280 4.480 0.881 1.00 25.00 H new ATOM 0 HH12 ARG A 61 -5.694 4.942 -0.072 1.00 25.00 H new ATOM 0 HH21 ARG A 61 -3.848 6.680 -2.511 1.00 25.00 H new ATOM 0 HH22 ARG A 61 -5.452 6.173 -1.970 1.00 25.00 H new ATOM 924 N LEU A 62 0.792 0.596 -1.113 1.00 25.00 N ATOM 925 CA LEU A 62 0.804 -0.596 -1.953 1.00 25.00 C ATOM 926 C LEU A 62 -0.632 -1.074 -2.182 1.00 25.00 C ATOM 927 O LEU A 62 -1.250 -1.681 -1.301 1.00 25.00 O ATOM 928 CB LEU A 62 1.644 -1.699 -1.273 1.00 25.00 C ATOM 929 CG LEU A 62 3.171 -1.483 -1.099 1.00 25.00 C ATOM 930 CD1 LEU A 62 3.845 -2.777 -0.692 1.00 25.00 C ATOM 931 CD2 LEU A 62 3.843 -0.913 -2.349 1.00 25.00 C ATOM 0 H LEU A 62 0.272 0.475 -0.244 1.00 25.00 H new ATOM 0 HA LEU A 62 1.252 -0.363 -2.919 1.00 25.00 H new ATOM 0 HB2 LEU A 62 1.221 -1.871 -0.283 1.00 25.00 H new ATOM 0 HB3 LEU A 62 1.505 -2.617 -1.843 1.00 25.00 H new ATOM 0 HG LEU A 62 3.290 -0.741 -0.309 1.00 25.00 H new ATOM 0 HD11 LEU A 62 4.915 -2.608 -0.574 1.00 25.00 H new ATOM 0 HD12 LEU A 62 3.426 -3.124 0.253 1.00 25.00 H new ATOM 0 HD13 LEU A 62 3.679 -3.531 -1.461 1.00 25.00 H new ATOM 0 HD21 LEU A 62 4.909 -0.785 -2.163 1.00 25.00 H new ATOM 0 HD22 LEU A 62 3.700 -1.599 -3.184 1.00 25.00 H new ATOM 0 HD23 LEU A 62 3.399 0.052 -2.593 1.00 25.00 H new ATOM 943 N ILE A 63 -1.152 -0.796 -3.378 1.00 25.00 N ATOM 944 CA ILE A 63 -2.549 -1.084 -3.726 1.00 25.00 C ATOM 945 C ILE A 63 -2.671 -2.538 -4.203 1.00 25.00 C ATOM 946 O ILE A 63 -1.924 -2.980 -5.079 1.00 25.00 O ATOM 947 CB ILE A 63 -3.074 -0.093 -4.828 1.00 25.00 C ATOM 948 CG1 ILE A 63 -3.034 1.387 -4.376 1.00 25.00 C ATOM 949 CG2 ILE A 63 -4.500 -0.425 -5.273 1.00 25.00 C ATOM 950 CD1 ILE A 63 -3.307 2.401 -5.468 1.00 25.00 C ATOM 0 H ILE A 63 -0.620 -0.365 -4.134 1.00 25.00 H new ATOM 0 HA ILE A 63 -3.166 -0.946 -2.838 1.00 25.00 H new ATOM 0 HB ILE A 63 -2.390 -0.223 -5.667 1.00 25.00 H new ATOM 0 HG12 ILE A 63 -3.766 1.527 -3.580 1.00 25.00 H new ATOM 0 HG13 ILE A 63 -2.053 1.593 -3.947 1.00 25.00 H new ATOM 0 HG21 ILE A 63 -4.818 0.287 -6.035 1.00 25.00 H new ATOM 0 HG22 ILE A 63 -4.527 -1.434 -5.685 1.00 25.00 H new ATOM 0 HG23 ILE A 63 -5.172 -0.365 -4.417 1.00 25.00 H new ATOM 0 HD11 ILE A 63 -3.256 3.407 -5.051 1.00 25.00 H new ATOM 0 HD12 ILE A 63 -2.561 2.297 -6.256 1.00 25.00 H new ATOM 0 HD13 ILE A 63 -4.300 2.230 -5.883 1.00 25.00 H new ATOM 962 N GLY A 64 -3.632 -3.255 -3.617 1.00 25.00 N ATOM 963 CA GLY A 64 -3.792 -4.676 -3.873 1.00 25.00 C ATOM 964 C GLY A 64 -4.694 -4.980 -5.050 1.00 25.00 C ATOM 965 O GLY A 64 -5.466 -4.124 -5.494 1.00 25.00 O ATOM 0 H GLY A 64 -4.310 -2.867 -2.961 1.00 25.00 H new ATOM 0 HA2 GLY A 64 -2.812 -5.117 -4.053 1.00 25.00 H new ATOM 0 HA3 GLY A 64 -4.198 -5.154 -2.981 1.00 25.00 H new ATOM 969 N LYS A 65 -4.586 -6.214 -5.548 1.00 25.00 N ATOM 970 CA LYS A 65 -5.403 -6.688 -6.662 1.00 25.00 C ATOM 971 C LYS A 65 -6.796 -7.092 -6.193 1.00 25.00 C ATOM 972 O LYS A 65 -6.956 -7.986 -5.355 1.00 25.00 O ATOM 973 CB LYS A 65 -4.704 -7.847 -7.364 1.00 25.00 C ATOM 974 CG LYS A 65 -5.463 -8.318 -8.588 1.00 25.00 C ATOM 975 CD LYS A 65 -4.733 -9.433 -9.306 1.00 25.00 C ATOM 976 CE LYS A 65 -5.509 -9.902 -10.529 1.00 25.00 C ATOM 977 NZ LYS A 65 -4.824 -11.012 -11.242 1.00 25.00 N ATOM 0 H LYS A 65 -3.931 -6.909 -5.190 1.00 25.00 H new ATOM 0 HA LYS A 65 -5.524 -5.871 -7.373 1.00 25.00 H new ATOM 0 HB2 LYS A 65 -3.700 -7.539 -7.657 1.00 25.00 H new ATOM 0 HB3 LYS A 65 -4.592 -8.677 -6.667 1.00 25.00 H new ATOM 0 HG2 LYS A 65 -6.453 -8.664 -8.291 1.00 25.00 H new ATOM 0 HG3 LYS A 65 -5.609 -7.480 -9.270 1.00 25.00 H new ATOM 0 HD2 LYS A 65 -3.745 -9.088 -9.610 1.00 25.00 H new ATOM 0 HD3 LYS A 65 -4.582 -10.270 -8.625 1.00 25.00 H new ATOM 0 HE2 LYS A 65 -6.503 -10.229 -10.222 1.00 25.00 H new ATOM 0 HE3 LYS A 65 -5.646 -9.064 -11.213 1.00 25.00 H new ATOM 0 HZ1 LYS A 65 -5.390 -11.297 -12.067 1.00 25.00 H new ATOM 0 HZ2 LYS A 65 -3.886 -10.694 -11.559 1.00 25.00 H new ATOM 0 HZ3 LYS A 65 -4.716 -11.823 -10.600 1.00 25.00 H new ATOM 1019 N GLU A 68 -13.246 -7.399 -8.643 1.00 25.00 N ATOM 1020 CA GLU A 68 -14.428 -6.535 -8.751 1.00 25.00 C ATOM 1021 C GLU A 68 -15.590 -7.225 -9.487 1.00 25.00 C ATOM 1022 O GLU A 68 -16.671 -6.644 -9.637 1.00 25.00 O ATOM 1023 CB GLU A 68 -14.050 -5.212 -9.433 1.00 25.00 C ATOM 1024 CG GLU A 68 -13.244 -4.267 -8.541 1.00 25.00 C ATOM 1025 CD GLU A 68 -12.707 -3.067 -9.297 1.00 25.00 C ATOM 1026 OE1 GLU A 68 -12.817 -3.051 -10.541 1.00 25.00 O ATOM 1027 OE2 GLU A 68 -12.179 -2.141 -8.645 1.00 25.00 O ATOM 0 HA GLU A 68 -14.780 -6.326 -7.741 1.00 25.00 H new ATOM 0 HB2 GLU A 68 -13.473 -5.429 -10.332 1.00 25.00 H new ATOM 0 HB3 GLU A 68 -14.961 -4.706 -9.754 1.00 25.00 H new ATOM 0 HG2 GLU A 68 -13.874 -3.923 -7.720 1.00 25.00 H new ATOM 0 HG3 GLU A 68 -12.412 -4.814 -8.097 1.00 25.00 H new ATOM 1034 N SER A 69 -15.358 -8.470 -9.934 1.00 25.00 N ATOM 1035 CA SER A 69 -16.394 -9.280 -10.594 1.00 25.00 C ATOM 1036 C SER A 69 -17.351 -9.925 -9.575 1.00 25.00 C ATOM 1037 O SER A 69 -18.460 -10.338 -9.932 1.00 25.00 O ATOM 1038 CB SER A 69 -15.743 -10.361 -11.469 1.00 25.00 C ATOM 1039 OG SER A 69 -15.124 -11.365 -10.678 1.00 25.00 O ATOM 0 H SER A 69 -14.456 -8.939 -9.849 1.00 25.00 H new ATOM 0 HA SER A 69 -16.984 -8.614 -11.223 1.00 25.00 H new ATOM 0 HB2 SER A 69 -16.498 -10.815 -12.111 1.00 25.00 H new ATOM 0 HB3 SER A 69 -15.002 -9.903 -12.124 1.00 25.00 H new ATOM 0 HG SER A 69 -14.720 -12.040 -11.263 1.00 25.00 H new ATOM 1045 N LYS A 70 -16.909 -10.001 -8.308 1.00 25.00 N ATOM 1046 CA LYS A 70 -17.718 -10.525 -7.206 1.00 25.00 C ATOM 1047 C LYS A 70 -18.623 -9.425 -6.603 1.00 25.00 C ATOM 1048 O LYS A 70 -19.060 -9.524 -5.449 1.00 25.00 O ATOM 1049 CB LYS A 70 -16.773 -11.110 -6.138 1.00 25.00 C ATOM 1050 CG LYS A 70 -16.068 -12.410 -6.554 1.00 25.00 C ATOM 1051 CD LYS A 70 -15.224 -13.029 -5.438 1.00 25.00 C ATOM 1052 CE LYS A 70 -14.542 -14.330 -5.866 1.00 25.00 C ATOM 1053 NZ LYS A 70 -13.632 -14.853 -4.809 1.00 25.00 N ATOM 0 H LYS A 70 -15.977 -9.699 -8.024 1.00 25.00 H new ATOM 0 HA LYS A 70 -18.377 -11.308 -7.581 1.00 25.00 H new ATOM 0 HB2 LYS A 70 -16.017 -10.364 -5.892 1.00 25.00 H new ATOM 0 HB3 LYS A 70 -17.344 -11.296 -5.229 1.00 25.00 H new ATOM 0 HG2 LYS A 70 -16.817 -13.133 -6.876 1.00 25.00 H new ATOM 0 HG3 LYS A 70 -15.429 -12.209 -7.413 1.00 25.00 H new ATOM 0 HD2 LYS A 70 -14.465 -12.313 -5.122 1.00 25.00 H new ATOM 0 HD3 LYS A 70 -15.859 -13.224 -4.573 1.00 25.00 H new ATOM 0 HE2 LYS A 70 -15.300 -15.079 -6.096 1.00 25.00 H new ATOM 0 HE3 LYS A 70 -13.975 -14.159 -6.781 1.00 25.00 H new ATOM 0 HZ1 LYS A 70 -13.189 -15.735 -5.137 1.00 25.00 H new ATOM 0 HZ2 LYS A 70 -12.893 -14.149 -4.607 1.00 25.00 H new ATOM 0 HZ3 LYS A 70 -14.177 -15.041 -3.943 1.00 25.00 H new ATOM 1067 N LYS A 71 -18.903 -8.391 -7.414 1.00 25.00 N ATOM 1068 CA LYS A 71 -19.627 -7.179 -6.978 1.00 25.00 C ATOM 1069 C LYS A 71 -20.911 -7.475 -6.186 1.00 25.00 C ATOM 1070 O LYS A 71 -21.697 -8.355 -6.549 1.00 25.00 O ATOM 1071 CB LYS A 71 -19.904 -6.251 -8.170 1.00 25.00 C ATOM 1072 CG LYS A 71 -19.920 -6.942 -9.514 1.00 25.00 C ATOM 1073 CD LYS A 71 -20.323 -5.987 -10.613 1.00 25.00 C ATOM 1074 CE LYS A 71 -19.218 -4.996 -10.891 1.00 25.00 C ATOM 1075 NZ LYS A 71 -18.192 -5.539 -11.825 1.00 25.00 N ATOM 0 H LYS A 71 -18.633 -8.370 -8.397 1.00 25.00 H new ATOM 0 HA LYS A 71 -18.967 -6.666 -6.279 1.00 25.00 H new ATOM 0 HB2 LYS A 71 -20.865 -5.761 -8.017 1.00 25.00 H new ATOM 0 HB3 LYS A 71 -19.146 -5.468 -8.188 1.00 25.00 H new ATOM 0 HG2 LYS A 71 -18.932 -7.351 -9.728 1.00 25.00 H new ATOM 0 HG3 LYS A 71 -20.614 -7.782 -9.486 1.00 25.00 H new ATOM 0 HD2 LYS A 71 -20.554 -6.545 -11.520 1.00 25.00 H new ATOM 0 HD3 LYS A 71 -21.231 -5.456 -10.326 1.00 25.00 H new ATOM 0 HE2 LYS A 71 -19.646 -4.087 -11.314 1.00 25.00 H new ATOM 0 HE3 LYS A 71 -18.740 -4.716 -9.952 1.00 25.00 H new ATOM 0 HZ1 LYS A 71 -17.763 -4.758 -12.362 1.00 25.00 H new ATOM 0 HZ2 LYS A 71 -17.455 -6.032 -11.282 1.00 25.00 H new ATOM 0 HZ3 LYS A 71 -18.641 -6.206 -12.484 1.00 25.00 H new ATOM 1089 N ARG A 72 -21.083 -6.729 -5.091 1.00 25.00 N ATOM 1090 CA ARG A 72 -22.182 -6.940 -4.153 1.00 25.00 C ATOM 1091 C ARG A 72 -23.257 -5.853 -4.329 1.00 25.00 C ATOM 1092 O ARG A 72 -22.973 -4.769 -4.840 1.00 25.00 O ATOM 1093 CB ARG A 72 -21.595 -6.954 -2.720 1.00 25.00 C ATOM 1094 CG ARG A 72 -20.690 -8.142 -2.390 1.00 25.00 C ATOM 1095 CD ARG A 72 -20.350 -8.197 -0.909 1.00 25.00 C ATOM 1096 NE ARG A 72 -21.555 -8.321 -0.077 1.00 25.00 N ATOM 1097 CZ ARG A 72 -22.044 -7.356 0.716 1.00 25.00 C ATOM 1098 NH1 ARG A 72 -21.438 -6.174 0.821 1.00 25.00 N ATOM 1099 NH2 ARG A 72 -23.151 -7.580 1.411 1.00 25.00 N ATOM 0 H ARG A 72 -20.462 -5.962 -4.832 1.00 25.00 H new ATOM 0 HA ARG A 72 -22.673 -7.894 -4.344 1.00 25.00 H new ATOM 0 HB2 ARG A 72 -21.028 -6.035 -2.569 1.00 25.00 H new ATOM 0 HB3 ARG A 72 -22.420 -6.940 -2.008 1.00 25.00 H new ATOM 0 HG2 ARG A 72 -21.184 -9.068 -2.684 1.00 25.00 H new ATOM 0 HG3 ARG A 72 -19.771 -8.072 -2.972 1.00 25.00 H new ATOM 0 HD2 ARG A 72 -19.689 -9.042 -0.719 1.00 25.00 H new ATOM 0 HD3 ARG A 72 -19.805 -7.296 -0.627 1.00 25.00 H new ATOM 0 HE ARG A 72 -22.058 -9.208 -0.105 1.00 25.00 H new ATOM 0 HH11 ARG A 72 -20.585 -5.989 0.292 1.00 25.00 H new ATOM 0 HH12 ARG A 72 -21.827 -5.454 1.430 1.00 25.00 H new ATOM 0 HH21 ARG A 72 -23.624 -8.481 1.340 1.00 25.00 H new ATOM 0 HH22 ARG A 72 -23.529 -6.851 2.016 1.00 25.00 H new ATOM 1113 N LYS A 73 -24.492 -6.174 -3.921 1.00 25.00 N ATOM 1114 CA LYS A 73 -25.594 -5.210 -3.908 1.00 25.00 C ATOM 1115 C LYS A 73 -26.199 -5.139 -2.508 1.00 25.00 C ATOM 1116 O LYS A 73 -26.337 -6.161 -1.830 1.00 25.00 O ATOM 1117 CB LYS A 73 -26.679 -5.584 -4.927 1.00 25.00 C ATOM 1118 CG LYS A 73 -26.201 -5.534 -6.363 1.00 25.00 C ATOM 1119 CD LYS A 73 -27.314 -5.870 -7.338 1.00 25.00 C ATOM 1120 CE LYS A 73 -26.827 -5.818 -8.780 1.00 25.00 C ATOM 1121 NZ LYS A 73 -27.883 -6.229 -9.749 1.00 25.00 N ATOM 0 H LYS A 73 -24.752 -7.104 -3.593 1.00 25.00 H new ATOM 0 HA LYS A 73 -25.194 -4.235 -4.186 1.00 25.00 H new ATOM 0 HB2 LYS A 73 -27.042 -6.588 -4.708 1.00 25.00 H new ATOM 0 HB3 LYS A 73 -27.525 -4.907 -4.810 1.00 25.00 H new ATOM 0 HG2 LYS A 73 -25.813 -4.539 -6.583 1.00 25.00 H new ATOM 0 HG3 LYS A 73 -25.377 -6.235 -6.497 1.00 25.00 H new ATOM 0 HD2 LYS A 73 -27.702 -6.865 -7.120 1.00 25.00 H new ATOM 0 HD3 LYS A 73 -28.139 -5.170 -7.206 1.00 25.00 H new ATOM 0 HE2 LYS A 73 -26.497 -4.806 -9.013 1.00 25.00 H new ATOM 0 HE3 LYS A 73 -25.960 -6.470 -8.892 1.00 25.00 H new ATOM 0 HZ1 LYS A 73 -27.505 -6.178 -10.717 1.00 25.00 H new ATOM 0 HZ2 LYS A 73 -28.181 -7.204 -9.545 1.00 25.00 H new ATOM 0 HZ3 LYS A 73 -28.701 -5.592 -9.662 1.00 25.00 H new ATOM 1135 N ASP A 74 -26.558 -3.922 -2.090 1.00 25.00 N ATOM 1136 CA ASP A 74 -27.085 -3.675 -0.738 1.00 25.00 C ATOM 1137 C ASP A 74 -28.581 -4.042 -0.619 1.00 25.00 C ATOM 1138 O ASP A 74 -29.149 -4.618 -1.551 1.00 25.00 O ATOM 1139 CB ASP A 74 -26.822 -2.206 -0.325 1.00 25.00 C ATOM 1140 CG ASP A 74 -27.611 -1.188 -1.138 1.00 25.00 C ATOM 1141 OD1 ASP A 74 -28.536 -1.603 -1.867 1.00 25.00 O ATOM 1142 OD2 ASP A 74 -27.301 0.019 -1.042 1.00 25.00 O ATOM 0 H ASP A 74 -26.494 -3.085 -2.670 1.00 25.00 H new ATOM 0 HA ASP A 74 -26.555 -4.329 -0.046 1.00 25.00 H new ATOM 0 HB2 ASP A 74 -27.069 -2.085 0.730 1.00 25.00 H new ATOM 0 HB3 ASP A 74 -25.758 -1.994 -0.429 1.00 25.00 H new ATOM 1147 N ASN A 75 -29.208 -3.703 0.523 1.00 25.00 N ATOM 1148 CA ASN A 75 -30.614 -4.069 0.812 1.00 25.00 C ATOM 1149 C ASN A 75 -31.605 -3.592 -0.264 1.00 25.00 C ATOM 1150 O ASN A 75 -32.609 -4.262 -0.527 1.00 25.00 O ATOM 1151 CB ASN A 75 -31.035 -3.496 2.172 1.00 25.00 C ATOM 1152 CG ASN A 75 -30.414 -4.227 3.355 1.00 25.00 C ATOM 1153 OD1 ASN A 75 -29.965 -5.369 3.239 1.00 25.00 O ATOM 1154 ND2 ASN A 75 -30.388 -3.566 4.507 1.00 25.00 N ATOM 0 H ASN A 75 -28.761 -3.171 1.269 1.00 25.00 H new ATOM 0 HA ASN A 75 -30.650 -5.158 0.822 1.00 25.00 H new ATOM 0 HB2 ASN A 75 -30.755 -2.444 2.217 1.00 25.00 H new ATOM 0 HB3 ASN A 75 -32.121 -3.541 2.256 1.00 25.00 H new ATOM 0 HD21 ASN A 75 -29.986 -4.003 5.337 1.00 25.00 H new ATOM 0 HD22 ASN A 75 -30.770 -2.622 4.562 1.00 25.00 H new ATOM 1161 N GLU A 76 -31.300 -2.453 -0.897 1.00 25.00 N ATOM 1162 CA GLU A 76 -32.205 -1.843 -1.881 1.00 25.00 C ATOM 1163 C GLU A 76 -31.931 -2.351 -3.303 1.00 25.00 C ATOM 1164 O GLU A 76 -32.815 -2.293 -4.164 1.00 25.00 O ATOM 1165 CB GLU A 76 -32.093 -0.313 -1.836 1.00 25.00 C ATOM 1166 CG GLU A 76 -32.509 0.298 -0.502 1.00 25.00 C ATOM 1167 CD GLU A 76 -32.381 1.809 -0.486 1.00 25.00 C ATOM 1168 OE1 GLU A 76 -32.027 2.385 -1.536 1.00 25.00 O ATOM 1169 OE2 GLU A 76 -32.631 2.417 0.577 1.00 25.00 O ATOM 0 H GLU A 76 -30.434 -1.935 -0.746 1.00 25.00 H new ATOM 0 HA GLU A 76 -33.220 -2.137 -1.615 1.00 25.00 H new ATOM 0 HB2 GLU A 76 -31.063 -0.027 -2.050 1.00 25.00 H new ATOM 0 HB3 GLU A 76 -32.712 0.110 -2.627 1.00 25.00 H new ATOM 0 HG2 GLU A 76 -33.541 0.022 -0.287 1.00 25.00 H new ATOM 0 HG3 GLU A 76 -31.894 -0.123 0.294 1.00 25.00 H new ATOM 1176 N GLY A 77 -30.709 -2.850 -3.537 1.00 25.00 N ATOM 1177 CA GLY A 77 -30.343 -3.384 -4.843 1.00 25.00 C ATOM 1178 C GLY A 77 -29.391 -2.486 -5.617 1.00 25.00 C ATOM 1179 O GLY A 77 -29.242 -2.642 -6.833 1.00 25.00 O ATOM 0 H GLY A 77 -29.966 -2.892 -2.839 1.00 25.00 H new ATOM 0 HA2 GLY A 77 -29.881 -4.362 -4.711 1.00 25.00 H new ATOM 0 HA3 GLY A 77 -31.248 -3.535 -5.432 1.00 25.00 H new ATOM 1183 N ASN A 78 -28.748 -1.545 -4.911 1.00 25.00 N ATOM 1184 CA ASN A 78 -27.744 -0.659 -5.513 1.00 25.00 C ATOM 1185 C ASN A 78 -26.370 -1.325 -5.479 1.00 25.00 C ATOM 1186 O ASN A 78 -26.076 -2.111 -4.573 1.00 25.00 O ATOM 1187 CB ASN A 78 -27.700 0.688 -4.777 1.00 25.00 C ATOM 1188 CG ASN A 78 -29.003 1.461 -4.880 1.00 25.00 C ATOM 1189 OD1 ASN A 78 -29.408 1.875 -5.966 1.00 25.00 O ATOM 1190 ND2 ASN A 78 -29.663 1.659 -3.747 1.00 25.00 N ATOM 0 H ASN A 78 -28.907 -1.378 -3.917 1.00 25.00 H new ATOM 0 HA ASN A 78 -28.022 -0.474 -6.551 1.00 25.00 H new ATOM 0 HB2 ASN A 78 -27.469 0.515 -3.726 1.00 25.00 H new ATOM 0 HB3 ASN A 78 -26.891 1.293 -5.186 1.00 25.00 H new ATOM 0 HD21 ASN A 78 -30.544 2.173 -3.753 1.00 25.00 H new ATOM 0 HD22 ASN A 78 -29.290 1.298 -2.869 1.00 25.00 H new ATOM 1197 N GLU A 79 -25.531 -1.001 -6.472 1.00 25.00 N ATOM 1198 CA GLU A 79 -24.235 -1.664 -6.647 1.00 25.00 C ATOM 1199 C GLU A 79 -23.219 -1.197 -5.601 1.00 25.00 C ATOM 1200 O GLU A 79 -22.871 -0.013 -5.535 1.00 25.00 O ATOM 1201 CB GLU A 79 -23.694 -1.407 -8.063 1.00 25.00 C ATOM 1202 CG GLU A 79 -22.413 -2.162 -8.384 1.00 25.00 C ATOM 1203 CD GLU A 79 -21.949 -1.945 -9.811 1.00 25.00 C ATOM 1204 OE1 GLU A 79 -22.621 -1.190 -10.548 1.00 25.00 O ATOM 1205 OE2 GLU A 79 -20.913 -2.528 -10.194 1.00 25.00 O ATOM 0 H GLU A 79 -25.729 -0.281 -7.167 1.00 25.00 H new ATOM 0 HA GLU A 79 -24.387 -2.735 -6.510 1.00 25.00 H new ATOM 0 HB2 GLU A 79 -24.459 -1.685 -8.789 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -23.514 -0.339 -8.183 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -21.627 -1.845 -7.698 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -22.572 -3.227 -8.216 1.00 25.00 H new ATOM 1212 N VAL A 80 -22.764 -2.152 -4.788 1.00 25.00 N ATOM 1213 CA VAL A 80 -21.705 -1.913 -3.812 1.00 25.00 C ATOM 1214 C VAL A 80 -20.581 -2.923 -4.035 1.00 25.00 C ATOM 1215 O VAL A 80 -20.668 -4.081 -3.610 1.00 25.00 O ATOM 1216 CB VAL A 80 -22.210 -1.960 -2.332 1.00 25.00 C ATOM 1217 CG1 VAL A 80 -21.061 -1.704 -1.366 1.00 25.00 C ATOM 1218 CG2 VAL A 80 -23.345 -0.964 -2.067 1.00 25.00 C ATOM 0 H VAL A 80 -23.119 -3.108 -4.789 1.00 25.00 H new ATOM 0 HA VAL A 80 -21.335 -0.900 -3.968 1.00 25.00 H new ATOM 0 HB VAL A 80 -22.608 -2.961 -2.168 1.00 25.00 H new ATOM 0 HG11 VAL A 80 -21.432 -1.741 -0.342 1.00 25.00 H new ATOM 0 HG12 VAL A 80 -20.295 -2.467 -1.502 1.00 25.00 H new ATOM 0 HG13 VAL A 80 -20.633 -0.721 -1.562 1.00 25.00 H new ATOM 0 HG21 VAL A 80 -23.658 -1.038 -1.026 1.00 25.00 H new ATOM 0 HG22 VAL A 80 -22.996 0.048 -2.270 1.00 25.00 H new ATOM 0 HG23 VAL A 80 -24.190 -1.193 -2.717 1.00 25.00 H new ATOM 1228 N VAL A 81 -19.530 -2.472 -4.712 1.00 25.00 N ATOM 1229 CA VAL A 81 -18.433 -3.349 -5.097 1.00 25.00 C ATOM 1230 C VAL A 81 -17.245 -3.210 -4.116 1.00 25.00 C ATOM 1231 O VAL A 81 -16.797 -2.090 -3.853 1.00 25.00 O ATOM 1232 CB VAL A 81 -18.014 -3.114 -6.590 1.00 25.00 C ATOM 1233 CG1 VAL A 81 -17.070 -4.200 -7.113 1.00 25.00 C ATOM 1234 CG2 VAL A 81 -19.223 -2.958 -7.516 1.00 25.00 C ATOM 0 H VAL A 81 -19.416 -1.502 -5.005 1.00 25.00 H new ATOM 0 HA VAL A 81 -18.778 -4.381 -5.032 1.00 25.00 H new ATOM 0 HB VAL A 81 -17.466 -2.172 -6.597 1.00 25.00 H new ATOM 0 HG11 VAL A 81 -16.812 -3.989 -8.151 1.00 25.00 H new ATOM 0 HG12 VAL A 81 -16.163 -4.215 -6.509 1.00 25.00 H new ATOM 0 HG13 VAL A 81 -17.563 -5.170 -7.052 1.00 25.00 H new ATOM 0 HG21 VAL A 81 -18.880 -2.797 -8.538 1.00 25.00 H new ATOM 0 HG22 VAL A 81 -19.832 -3.861 -7.475 1.00 25.00 H new ATOM 0 HG23 VAL A 81 -19.819 -2.104 -7.195 1.00 25.00 H new ATOM 1244 N PRO A 82 -16.723 -4.354 -3.553 1.00 25.00 N ATOM 1245 CA PRO A 82 -15.601 -4.332 -2.582 1.00 25.00 C ATOM 1246 C PRO A 82 -14.341 -3.666 -3.141 1.00 25.00 C ATOM 1247 O PRO A 82 -13.924 -3.944 -4.271 1.00 25.00 O ATOM 1248 CB PRO A 82 -15.357 -5.818 -2.288 1.00 25.00 C ATOM 1249 CG PRO A 82 -16.666 -6.465 -2.570 1.00 25.00 C ATOM 1250 CD PRO A 82 -17.183 -5.751 -3.787 1.00 25.00 C ATOM 0 HA PRO A 82 -15.843 -3.745 -1.696 1.00 25.00 H new ATOM 0 HB2 PRO A 82 -14.567 -6.225 -2.920 1.00 25.00 H new ATOM 0 HB3 PRO A 82 -15.050 -5.974 -1.254 1.00 25.00 H new ATOM 0 HG2 PRO A 82 -16.549 -7.533 -2.756 1.00 25.00 H new ATOM 0 HG3 PRO A 82 -17.350 -6.361 -1.728 1.00 25.00 H new ATOM 0 HD2 PRO A 82 -16.772 -6.166 -4.707 1.00 25.00 H new ATOM 0 HD3 PRO A 82 -18.268 -5.814 -3.866 1.00 25.00 H new ATOM 1258 N LYS A 83 -13.750 -2.787 -2.328 1.00 25.00 N ATOM 1259 CA LYS A 83 -12.637 -1.930 -2.758 1.00 25.00 C ATOM 1260 C LYS A 83 -11.268 -2.604 -2.542 1.00 25.00 C ATOM 1261 O LYS A 83 -11.144 -3.474 -1.675 1.00 25.00 O ATOM 1262 CB LYS A 83 -12.677 -0.585 -2.008 1.00 25.00 C ATOM 1263 CG LYS A 83 -13.923 0.274 -2.283 1.00 25.00 C ATOM 1264 CD LYS A 83 -14.036 0.733 -3.736 1.00 25.00 C ATOM 1265 CE LYS A 83 -15.205 1.691 -3.951 1.00 25.00 C ATOM 1266 NZ LYS A 83 -15.332 2.102 -5.378 1.00 25.00 N ATOM 0 H LYS A 83 -14.027 -2.648 -1.356 1.00 25.00 H new ATOM 0 HA LYS A 83 -12.759 -1.758 -3.827 1.00 25.00 H new ATOM 0 HB2 LYS A 83 -12.618 -0.781 -0.937 1.00 25.00 H new ATOM 0 HB3 LYS A 83 -11.791 -0.010 -2.276 1.00 25.00 H new ATOM 0 HG2 LYS A 83 -14.814 -0.297 -2.020 1.00 25.00 H new ATOM 0 HG3 LYS A 83 -13.902 1.149 -1.634 1.00 25.00 H new ATOM 0 HD2 LYS A 83 -13.109 1.222 -4.033 1.00 25.00 H new ATOM 0 HD3 LYS A 83 -14.159 -0.137 -4.381 1.00 25.00 H new ATOM 0 HE2 LYS A 83 -16.130 1.214 -3.627 1.00 25.00 H new ATOM 0 HE3 LYS A 83 -15.068 2.576 -3.329 1.00 25.00 H new ATOM 0 HZ1 LYS A 83 -16.137 2.752 -5.482 1.00 25.00 H new ATOM 0 HZ2 LYS A 83 -14.460 2.580 -5.680 1.00 25.00 H new ATOM 0 HZ3 LYS A 83 -15.488 1.261 -5.969 1.00 25.00 H new ATOM 1335 N HIS A 87 -1.624 -0.989 1.248 1.00 25.00 N ATOM 1336 CA HIS A 87 -0.635 -1.126 2.329 1.00 25.00 C ATOM 1337 C HIS A 87 0.313 0.082 2.363 1.00 25.00 C ATOM 1338 O HIS A 87 1.116 0.277 1.447 1.00 25.00 O ATOM 1339 CB HIS A 87 0.171 -2.427 2.153 1.00 25.00 C ATOM 1340 CG HIS A 87 -0.613 -3.579 1.596 1.00 25.00 C ATOM 1341 ND1 HIS A 87 -1.197 -4.546 2.385 1.00 25.00 N ATOM 1342 CD2 HIS A 87 -0.880 -3.931 0.314 1.00 25.00 C ATOM 1343 CE1 HIS A 87 -1.788 -5.442 1.616 1.00 25.00 C ATOM 1344 NE2 HIS A 87 -1.612 -5.092 0.355 1.00 25.00 N ATOM 0 HA HIS A 87 -1.172 -1.166 3.277 1.00 25.00 H new ATOM 0 HB2 HIS A 87 1.017 -2.228 1.495 1.00 25.00 H new ATOM 0 HB3 HIS A 87 0.581 -2.718 3.120 1.00 25.00 H new ATOM 0 HD2 HIS A 87 -0.574 -3.398 -0.574 1.00 25.00 H new ATOM 0 HE1 HIS A 87 -2.325 -6.314 1.960 1.00 25.00 H new ATOM 0 HE2 HIS A 87 -1.963 -5.601 -0.456 1.00 25.00 H new ATOM 1353 N MET A 88 0.222 0.881 3.435 1.00 25.00 N ATOM 1354 CA MET A 88 1.002 2.120 3.557 1.00 25.00 C ATOM 1355 C MET A 88 2.204 1.931 4.491 1.00 25.00 C ATOM 1356 O MET A 88 2.117 1.232 5.505 1.00 25.00 O ATOM 1357 CB MET A 88 0.099 3.251 4.073 1.00 25.00 C ATOM 1358 CG MET A 88 -1.087 3.589 3.178 1.00 25.00 C ATOM 1359 SD MET A 88 -2.529 4.098 4.130 1.00 25.00 S ATOM 1360 CE MET A 88 -3.817 3.135 3.349 1.00 25.00 C ATOM 0 H MET A 88 -0.386 0.691 4.232 1.00 25.00 H new ATOM 0 HA MET A 88 1.385 2.384 2.571 1.00 25.00 H new ATOM 0 HB2 MET A 88 -0.276 2.975 5.058 1.00 25.00 H new ATOM 0 HB3 MET A 88 0.704 4.148 4.202 1.00 25.00 H new ATOM 0 HG2 MET A 88 -0.806 4.387 2.491 1.00 25.00 H new ATOM 0 HG3 MET A 88 -1.342 2.720 2.571 1.00 25.00 H new ATOM 0 HE1 MET A 88 -4.770 3.656 3.445 1.00 25.00 H new ATOM 0 HE2 MET A 88 -3.581 3.001 2.293 1.00 25.00 H new ATOM 0 HE3 MET A 88 -3.886 2.160 3.832 1.00 25.00 H new ATOM 1370 N PHE A 89 3.323 2.573 4.125 1.00 25.00 N ATOM 1371 CA PHE A 89 4.559 2.525 4.913 1.00 25.00 C ATOM 1372 C PHE A 89 5.134 3.935 5.063 1.00 25.00 C ATOM 1373 O PHE A 89 5.357 4.621 4.066 1.00 25.00 O ATOM 1374 CB PHE A 89 5.623 1.638 4.239 1.00 25.00 C ATOM 1375 CG PHE A 89 5.262 0.182 4.098 1.00 25.00 C ATOM 1376 CD1 PHE A 89 4.621 -0.277 2.956 1.00 25.00 C ATOM 1377 CD2 PHE A 89 5.571 -0.722 5.097 1.00 25.00 C ATOM 1378 CE1 PHE A 89 4.289 -1.608 2.815 1.00 25.00 C ATOM 1379 CE2 PHE A 89 5.242 -2.056 4.966 1.00 25.00 C ATOM 1380 CZ PHE A 89 4.599 -2.500 3.825 1.00 25.00 C ATOM 0 H PHE A 89 3.395 3.137 3.278 1.00 25.00 H new ATOM 0 HA PHE A 89 4.310 2.104 5.887 1.00 25.00 H new ATOM 0 HB2 PHE A 89 5.830 2.040 3.247 1.00 25.00 H new ATOM 0 HB3 PHE A 89 6.547 1.711 4.812 1.00 25.00 H new ATOM 0 HD1 PHE A 89 4.379 0.418 2.166 1.00 25.00 H new ATOM 0 HD2 PHE A 89 6.075 -0.381 5.989 1.00 25.00 H new ATOM 0 HE1 PHE A 89 3.790 -1.952 1.921 1.00 25.00 H new ATOM 0 HE2 PHE A 89 5.487 -2.753 5.754 1.00 25.00 H new ATOM 0 HZ PHE A 89 4.339 -3.543 3.723 1.00 25.00 H new ATOM 1390 N SER A 90 5.394 4.356 6.302 1.00 25.00 N ATOM 1391 CA SER A 90 5.951 5.691 6.568 1.00 25.00 C ATOM 1392 C SER A 90 7.476 5.697 6.411 1.00 25.00 C ATOM 1393 O SER A 90 8.145 4.707 6.708 1.00 25.00 O ATOM 1394 CB SER A 90 5.553 6.170 7.961 1.00 25.00 C ATOM 1395 OG SER A 90 4.214 6.629 7.984 1.00 25.00 O ATOM 0 H SER A 90 5.229 3.796 7.138 1.00 25.00 H new ATOM 0 HA SER A 90 5.536 6.380 5.832 1.00 25.00 H new ATOM 0 HB2 SER A 90 5.673 5.356 8.676 1.00 25.00 H new ATOM 0 HB3 SER A 90 6.220 6.972 8.276 1.00 25.00 H new ATOM 0 HG SER A 90 3.986 6.928 8.889 1.00 25.00 H new ATOM 1401 N PHE A 91 8.004 6.828 5.939 1.00 25.00 N ATOM 1402 CA PHE A 91 9.425 6.954 5.586 1.00 25.00 C ATOM 1403 C PHE A 91 10.069 8.185 6.232 1.00 25.00 C ATOM 1404 O PHE A 91 9.399 8.971 6.909 1.00 25.00 O ATOM 1405 CB PHE A 91 9.567 7.037 4.057 1.00 25.00 C ATOM 1406 CG PHE A 91 9.525 5.704 3.355 1.00 25.00 C ATOM 1407 CD1 PHE A 91 8.342 4.985 3.254 1.00 25.00 C ATOM 1408 CD2 PHE A 91 10.674 5.175 2.781 1.00 25.00 C ATOM 1409 CE1 PHE A 91 8.310 3.770 2.597 1.00 25.00 C ATOM 1410 CE2 PHE A 91 10.643 3.958 2.126 1.00 25.00 C ATOM 1411 CZ PHE A 91 9.460 3.257 2.035 1.00 25.00 C ATOM 0 H PHE A 91 7.464 7.680 5.790 1.00 25.00 H new ATOM 0 HA PHE A 91 9.943 6.073 5.965 1.00 25.00 H new ATOM 0 HB2 PHE A 91 8.769 7.666 3.664 1.00 25.00 H new ATOM 0 HB3 PHE A 91 10.509 7.530 3.818 1.00 25.00 H new ATOM 0 HD1 PHE A 91 7.438 5.379 3.693 1.00 25.00 H new ATOM 0 HD2 PHE A 91 11.603 5.721 2.847 1.00 25.00 H new ATOM 0 HE1 PHE A 91 7.383 3.221 2.523 1.00 25.00 H new ATOM 0 HE2 PHE A 91 11.544 3.557 1.686 1.00 25.00 H new ATOM 0 HZ PHE A 91 9.434 2.306 1.524 1.00 25.00 H new ATOM 1421 N ASN A 92 11.389 8.323 6.030 1.00 25.00 N ATOM 1422 CA ASN A 92 12.151 9.474 6.521 1.00 25.00 C ATOM 1423 C ASN A 92 12.860 10.201 5.360 1.00 25.00 C ATOM 1424 O ASN A 92 13.321 11.335 5.525 1.00 25.00 O ATOM 1425 CB ASN A 92 13.174 9.011 7.582 1.00 25.00 C ATOM 1426 CG ASN A 92 12.549 8.372 8.826 1.00 25.00 C ATOM 1427 OD1 ASN A 92 11.989 9.072 9.671 1.00 25.00 O ATOM 1428 ND2 ASN A 92 12.660 7.052 8.956 1.00 25.00 N ATOM 0 H ASN A 92 11.953 7.641 5.523 1.00 25.00 H new ATOM 0 HA ASN A 92 11.460 10.179 6.982 1.00 25.00 H new ATOM 0 HB2 ASN A 92 13.856 8.294 7.124 1.00 25.00 H new ATOM 0 HB3 ASN A 92 13.773 9.868 7.890 1.00 25.00 H new ATOM 0 HD21 ASN A 92 12.274 6.586 9.777 1.00 25.00 H new ATOM 0 HD22 ASN A 92 13.131 6.506 8.234 1.00 25.00 H new ATOM 1435 N ASN A 93 12.943 9.536 4.192 1.00 25.00 N ATOM 1436 CA ASN A 93 13.606 10.095 3.001 1.00 25.00 C ATOM 1437 C ASN A 93 12.864 9.693 1.722 1.00 25.00 C ATOM 1438 O ASN A 93 12.343 8.578 1.619 1.00 25.00 O ATOM 1439 CB ASN A 93 15.065 9.617 2.913 1.00 25.00 C ATOM 1440 CG ASN A 93 15.889 10.400 1.907 1.00 25.00 C ATOM 1441 OD1 ASN A 93 15.345 11.066 1.025 1.00 25.00 O ATOM 1442 ND2 ASN A 93 17.209 10.321 2.031 1.00 25.00 N ATOM 0 H ASN A 93 12.555 8.603 4.049 1.00 25.00 H new ATOM 0 HA ASN A 93 13.589 11.181 3.096 1.00 25.00 H new ATOM 0 HB2 ASN A 93 15.528 9.700 3.896 1.00 25.00 H new ATOM 0 HB3 ASN A 93 15.079 8.561 2.642 1.00 25.00 H new ATOM 0 HD21 ASN A 93 17.813 10.824 1.381 1.00 25.00 H new ATOM 0 HD22 ASN A 93 17.618 9.758 2.776 1.00 25.00 H new ATOM 1449 N ARG A 94 12.827 10.621 0.748 1.00 25.00 N ATOM 1450 CA ARG A 94 12.166 10.389 -0.548 1.00 25.00 C ATOM 1451 C ARG A 94 13.041 9.591 -1.519 1.00 25.00 C ATOM 1452 O ARG A 94 12.534 9.028 -2.495 1.00 25.00 O ATOM 1453 CB ARG A 94 11.772 11.718 -1.208 1.00 25.00 C ATOM 1454 CG ARG A 94 11.585 12.873 -0.231 1.00 25.00 C ATOM 1455 CD ARG A 94 10.262 12.796 0.518 1.00 25.00 C ATOM 1456 NE ARG A 94 10.137 13.843 1.542 1.00 25.00 N ATOM 1457 CZ ARG A 94 9.007 14.138 2.205 1.00 25.00 C ATOM 1458 NH1 ARG A 94 7.874 13.478 1.968 1.00 25.00 N ATOM 1459 NH2 ARG A 94 9.016 15.105 3.113 1.00 25.00 N ATOM 0 H ARG A 94 13.251 11.545 0.836 1.00 25.00 H new ATOM 0 HA ARG A 94 11.273 9.802 -0.333 1.00 25.00 H new ATOM 0 HB2 ARG A 94 12.539 11.991 -1.933 1.00 25.00 H new ATOM 0 HB3 ARG A 94 10.845 11.574 -1.763 1.00 25.00 H new ATOM 0 HG2 ARG A 94 12.405 12.874 0.487 1.00 25.00 H new ATOM 0 HG3 ARG A 94 11.636 13.816 -0.775 1.00 25.00 H new ATOM 0 HD2 ARG A 94 9.440 12.886 -0.192 1.00 25.00 H new ATOM 0 HD3 ARG A 94 10.171 11.817 0.989 1.00 25.00 H new ATOM 0 HE ARG A 94 10.971 14.386 1.766 1.00 25.00 H new ATOM 0 HH11 ARG A 94 7.854 12.733 1.272 1.00 25.00 H new ATOM 0 HH12 ARG A 94 7.027 13.718 2.483 1.00 25.00 H new ATOM 0 HH21 ARG A 94 9.877 15.618 3.303 1.00 25.00 H new ATOM 0 HH22 ARG A 94 8.162 15.335 3.621 1.00 25.00 H new ATOM 1473 N THR A 95 14.351 9.550 -1.246 1.00 25.00 N ATOM 1474 CA THR A 95 15.311 8.846 -2.106 1.00 25.00 C ATOM 1475 C THR A 95 15.241 7.323 -1.885 1.00 25.00 C ATOM 1476 O THR A 95 15.687 6.552 -2.737 1.00 25.00 O ATOM 1477 CB THR A 95 16.758 9.355 -1.862 1.00 25.00 C ATOM 1478 OG1 THR A 95 17.152 9.074 -0.514 1.00 25.00 O ATOM 1479 CG2 THR A 95 16.879 10.861 -2.100 1.00 25.00 C ATOM 0 H THR A 95 14.772 9.998 -0.432 1.00 25.00 H new ATOM 0 HA THR A 95 15.040 9.058 -3.140 1.00 25.00 H new ATOM 0 HB THR A 95 17.407 8.837 -2.568 1.00 25.00 H new ATOM 0 HG1 THR A 95 18.066 9.396 -0.366 1.00 25.00 H new ATOM 0 HG21 THR A 95 17.906 11.177 -1.919 1.00 25.00 H new ATOM 0 HG22 THR A 95 16.606 11.090 -3.130 1.00 25.00 H new ATOM 0 HG23 THR A 95 16.211 11.391 -1.421 1.00 25.00 H new ATOM 1487 N VAL A 96 14.677 6.903 -0.741 1.00 25.00 N ATOM 1488 CA VAL A 96 14.450 5.477 -0.462 1.00 25.00 C ATOM 1489 C VAL A 96 13.151 5.028 -1.146 1.00 25.00 C ATOM 1490 O VAL A 96 13.201 4.225 -2.070 1.00 25.00 O ATOM 1491 CB VAL A 96 14.390 5.162 1.072 1.00 25.00 C ATOM 1492 CG1 VAL A 96 14.136 3.677 1.333 1.00 25.00 C ATOM 1493 CG2 VAL A 96 15.669 5.592 1.782 1.00 25.00 C ATOM 0 H VAL A 96 14.371 7.529 0.003 1.00 25.00 H new ATOM 0 HA VAL A 96 15.299 4.923 -0.862 1.00 25.00 H new ATOM 0 HB VAL A 96 13.555 5.735 1.474 1.00 25.00 H new ATOM 0 HG11 VAL A 96 14.101 3.497 2.408 1.00 25.00 H new ATOM 0 HG12 VAL A 96 13.186 3.386 0.885 1.00 25.00 H new ATOM 0 HG13 VAL A 96 14.940 3.087 0.893 1.00 25.00 H new ATOM 0 HG21 VAL A 96 15.592 5.358 2.844 1.00 25.00 H new ATOM 0 HG22 VAL A 96 16.519 5.060 1.354 1.00 25.00 H new ATOM 0 HG23 VAL A 96 15.812 6.665 1.656 1.00 25.00 H new ATOM 1503 N MET A 97 12.006 5.615 -0.728 1.00 25.00 N ATOM 1504 CA MET A 97 10.662 5.259 -1.261 1.00 25.00 C ATOM 1505 C MET A 97 10.627 5.179 -2.794 1.00 25.00 C ATOM 1506 O MET A 97 9.980 4.295 -3.355 1.00 25.00 O ATOM 1507 CB MET A 97 9.588 6.255 -0.770 1.00 25.00 C ATOM 1508 CG MET A 97 9.709 7.660 -1.337 1.00 25.00 C ATOM 1509 SD MET A 97 8.439 8.796 -0.731 1.00 25.00 S ATOM 1510 CE MET A 97 8.893 8.972 0.994 1.00 25.00 C ATOM 0 H MET A 97 11.983 6.345 -0.016 1.00 25.00 H new ATOM 0 HA MET A 97 10.441 4.264 -0.875 1.00 25.00 H new ATOM 0 HB2 MET A 97 8.604 5.860 -1.024 1.00 25.00 H new ATOM 0 HB3 MET A 97 9.637 6.313 0.317 1.00 25.00 H new ATOM 0 HG2 MET A 97 10.692 8.060 -1.088 1.00 25.00 H new ATOM 0 HG3 MET A 97 9.652 7.610 -2.424 1.00 25.00 H new ATOM 0 HE1 MET A 97 8.211 8.387 1.611 1.00 25.00 H new ATOM 0 HE2 MET A 97 9.912 8.614 1.140 1.00 25.00 H new ATOM 0 HE3 MET A 97 8.832 10.022 1.281 1.00 25.00 H new ATOM 1520 N ASP A 98 11.329 6.112 -3.452 1.00 25.00 N ATOM 1521 CA ASP A 98 11.415 6.141 -4.916 1.00 25.00 C ATOM 1522 C ASP A 98 12.243 4.968 -5.461 1.00 25.00 C ATOM 1523 O ASP A 98 12.030 4.545 -6.591 1.00 25.00 O ATOM 1524 CB ASP A 98 12.022 7.476 -5.377 1.00 25.00 C ATOM 1525 CG ASP A 98 11.065 8.648 -5.229 1.00 25.00 C ATOM 1526 OD1 ASP A 98 9.876 8.410 -4.930 1.00 25.00 O ATOM 1527 OD2 ASP A 98 11.506 9.802 -5.410 1.00 25.00 O ATOM 0 H ASP A 98 11.847 6.859 -2.990 1.00 25.00 H new ATOM 0 HA ASP A 98 10.404 6.043 -5.312 1.00 25.00 H new ATOM 0 HB2 ASP A 98 12.925 7.676 -4.800 1.00 25.00 H new ATOM 0 HB3 ASP A 98 12.323 7.390 -6.421 1.00 25.00 H new ATOM 1532 N ASN A 99 13.178 4.462 -4.648 1.00 25.00 N ATOM 1533 CA ASN A 99 14.010 3.308 -5.013 1.00 25.00 C ATOM 1534 C ASN A 99 13.340 1.971 -4.650 1.00 25.00 C ATOM 1535 O ASN A 99 13.564 0.968 -5.334 1.00 25.00 O ATOM 1536 CB ASN A 99 15.382 3.420 -4.336 1.00 25.00 C ATOM 1537 CG ASN A 99 16.398 4.139 -5.203 1.00 25.00 C ATOM 1538 OD1 ASN A 99 16.691 3.710 -6.321 1.00 25.00 O ATOM 1539 ND2 ASN A 99 16.943 5.239 -4.697 1.00 25.00 N ATOM 0 H ASN A 99 13.379 4.839 -3.722 1.00 25.00 H new ATOM 0 HA ASN A 99 14.136 3.320 -6.096 1.00 25.00 H new ATOM 0 HB2 ASN A 99 15.275 3.951 -3.390 1.00 25.00 H new ATOM 0 HB3 ASN A 99 15.751 2.422 -4.101 1.00 25.00 H new ATOM 0 HD21 ASN A 99 17.631 5.762 -5.238 1.00 25.00 H new ATOM 0 HD22 ASN A 99 16.673 5.561 -3.767 1.00 25.00 H new ATOM 1546 N ILE A 100 12.523 1.957 -3.574 1.00 25.00 N ATOM 1547 CA ILE A 100 11.712 0.771 -3.222 1.00 25.00 C ATOM 1548 C ILE A 100 10.582 0.611 -4.262 1.00 25.00 C ATOM 1549 O ILE A 100 10.457 -0.441 -4.889 1.00 25.00 O ATOM 1550 CB ILE A 100 11.110 0.853 -1.762 1.00 25.00 C ATOM 1551 CG1 ILE A 100 12.199 0.842 -0.649 1.00 25.00 C ATOM 1552 CG2 ILE A 100 10.094 -0.265 -1.492 1.00 25.00 C ATOM 1553 CD1 ILE A 100 13.062 -0.414 -0.540 1.00 25.00 C ATOM 0 H ILE A 100 12.408 2.747 -2.939 1.00 25.00 H new ATOM 0 HA ILE A 100 12.367 -0.100 -3.236 1.00 25.00 H new ATOM 0 HB ILE A 100 10.599 1.815 -1.722 1.00 25.00 H new ATOM 0 HG12 ILE A 100 12.859 1.694 -0.811 1.00 25.00 H new ATOM 0 HG13 ILE A 100 11.706 0.999 0.310 1.00 25.00 H new ATOM 0 HG21 ILE A 100 9.708 -0.168 -0.477 1.00 25.00 H new ATOM 0 HG22 ILE A 100 9.271 -0.188 -2.203 1.00 25.00 H new ATOM 0 HG23 ILE A 100 10.581 -1.234 -1.604 1.00 25.00 H new ATOM 0 HD11 ILE A 100 13.779 -0.293 0.272 1.00 25.00 H new ATOM 0 HD12 ILE A 100 12.426 -1.276 -0.338 1.00 25.00 H new ATOM 0 HD13 ILE A 100 13.597 -0.570 -1.477 1.00 25.00 H new ATOM 1565 N LYS A 101 9.789 1.688 -4.445 1.00 25.00 N ATOM 1566 CA LYS A 101 8.722 1.769 -5.459 1.00 25.00 C ATOM 1567 C LYS A 101 9.228 1.408 -6.862 1.00 25.00 C ATOM 1568 O LYS A 101 8.554 0.691 -7.591 1.00 25.00 O ATOM 1569 CB LYS A 101 8.140 3.185 -5.450 1.00 25.00 C ATOM 1570 CG LYS A 101 6.996 3.401 -6.438 1.00 25.00 C ATOM 1571 CD LYS A 101 6.598 4.873 -6.547 1.00 25.00 C ATOM 1572 CE LYS A 101 5.616 5.152 -7.687 1.00 25.00 C ATOM 1573 NZ LYS A 101 5.347 6.606 -7.865 1.00 25.00 N ATOM 0 H LYS A 101 9.875 2.536 -3.884 1.00 25.00 H new ATOM 0 HA LYS A 101 7.950 1.042 -5.206 1.00 25.00 H new ATOM 0 HB2 LYS A 101 7.784 3.413 -4.445 1.00 25.00 H new ATOM 0 HB3 LYS A 101 8.937 3.894 -5.674 1.00 25.00 H new ATOM 0 HG2 LYS A 101 7.292 3.033 -7.420 1.00 25.00 H new ATOM 0 HG3 LYS A 101 6.132 2.815 -6.125 1.00 25.00 H new ATOM 0 HD2 LYS A 101 6.151 5.192 -5.605 1.00 25.00 H new ATOM 0 HD3 LYS A 101 7.495 5.475 -6.694 1.00 25.00 H new ATOM 0 HE2 LYS A 101 6.016 4.744 -8.615 1.00 25.00 H new ATOM 0 HE3 LYS A 101 4.678 4.634 -7.489 1.00 25.00 H new ATOM 0 HZ1 LYS A 101 4.677 6.742 -8.649 1.00 25.00 H new ATOM 0 HZ2 LYS A 101 4.940 6.993 -6.990 1.00 25.00 H new ATOM 0 HZ3 LYS A 101 6.236 7.100 -8.081 1.00 25.00 H new ATOM 1587 N MET A 102 10.423 1.903 -7.212 1.00 25.00 N ATOM 1588 CA MET A 102 11.081 1.592 -8.495 1.00 25.00 C ATOM 1589 C MET A 102 11.203 0.073 -8.716 1.00 25.00 C ATOM 1590 O MET A 102 10.765 -0.432 -9.750 1.00 25.00 O ATOM 1591 CB MET A 102 12.461 2.264 -8.522 1.00 25.00 C ATOM 1592 CG MET A 102 13.244 2.109 -9.822 1.00 25.00 C ATOM 1593 SD MET A 102 14.951 2.695 -9.702 1.00 25.00 S ATOM 1594 CE MET A 102 14.718 4.462 -9.504 1.00 25.00 C ATOM 0 H MET A 102 10.963 2.530 -6.616 1.00 25.00 H new ATOM 0 HA MET A 102 10.470 1.980 -9.309 1.00 25.00 H new ATOM 0 HB2 MET A 102 12.331 3.328 -8.321 1.00 25.00 H new ATOM 0 HB3 MET A 102 13.060 1.857 -7.707 1.00 25.00 H new ATOM 0 HG2 MET A 102 13.247 1.059 -10.113 1.00 25.00 H new ATOM 0 HG3 MET A 102 12.733 2.658 -10.613 1.00 25.00 H new ATOM 0 HE1 MET A 102 15.687 4.961 -9.525 1.00 25.00 H new ATOM 0 HE2 MET A 102 14.097 4.840 -10.316 1.00 25.00 H new ATOM 0 HE3 MET A 102 14.228 4.660 -8.551 1.00 25.00 H new ATOM 1604 N THR A 103 11.790 -0.640 -7.737 1.00 25.00 N ATOM 1605 CA THR A 103 11.905 -2.105 -7.796 1.00 25.00 C ATOM 1606 C THR A 103 10.509 -2.744 -7.876 1.00 25.00 C ATOM 1607 O THR A 103 10.208 -3.424 -8.850 1.00 25.00 O ATOM 1608 CB THR A 103 12.693 -2.664 -6.579 1.00 25.00 C ATOM 1609 OG1 THR A 103 14.024 -2.131 -6.577 1.00 25.00 O ATOM 1610 CG2 THR A 103 12.776 -4.195 -6.602 1.00 25.00 C ATOM 0 H THR A 103 12.191 -0.223 -6.897 1.00 25.00 H new ATOM 0 HA THR A 103 12.464 -2.362 -8.696 1.00 25.00 H new ATOM 0 HB THR A 103 12.156 -2.363 -5.679 1.00 25.00 H new ATOM 0 HG1 THR A 103 14.517 -2.485 -5.807 1.00 25.00 H new ATOM 0 HG21 THR A 103 13.335 -4.542 -5.733 1.00 25.00 H new ATOM 0 HG22 THR A 103 11.770 -4.614 -6.577 1.00 25.00 H new ATOM 0 HG23 THR A 103 13.282 -4.518 -7.512 1.00 25.00 H new ATOM 1618 N LEU A 104 9.655 -2.452 -6.869 1.00 25.00 N ATOM 1619 CA LEU A 104 8.249 -2.907 -6.815 1.00 25.00 C ATOM 1620 C LEU A 104 7.564 -2.749 -8.176 1.00 25.00 C ATOM 1621 O LEU A 104 7.133 -3.724 -8.779 1.00 25.00 O ATOM 1622 CB LEU A 104 7.481 -2.071 -5.763 1.00 25.00 C ATOM 1623 CG LEU A 104 7.893 -2.254 -4.296 1.00 25.00 C ATOM 1624 CD1 LEU A 104 7.144 -1.274 -3.405 1.00 25.00 C ATOM 1625 CD2 LEU A 104 7.624 -3.666 -3.806 1.00 25.00 C ATOM 0 H LEU A 104 9.926 -1.888 -6.063 1.00 25.00 H new ATOM 0 HA LEU A 104 8.241 -3.962 -6.543 1.00 25.00 H new ATOM 0 HB2 LEU A 104 7.594 -1.017 -6.018 1.00 25.00 H new ATOM 0 HB3 LEU A 104 6.421 -2.308 -5.850 1.00 25.00 H new ATOM 0 HG LEU A 104 8.965 -2.064 -4.242 1.00 25.00 H new ATOM 0 HD11 LEU A 104 7.449 -1.418 -2.369 1.00 25.00 H new ATOM 0 HD12 LEU A 104 7.374 -0.254 -3.712 1.00 25.00 H new ATOM 0 HD13 LEU A 104 6.072 -1.447 -3.495 1.00 25.00 H new ATOM 0 HD21 LEU A 104 7.930 -3.754 -2.763 1.00 25.00 H new ATOM 0 HD22 LEU A 104 6.560 -3.884 -3.892 1.00 25.00 H new ATOM 0 HD23 LEU A 104 8.190 -4.375 -4.411 1.00 25.00 H new ATOM 1637 N GLN A 105 7.541 -1.502 -8.660 1.00 25.00 N ATOM 1638 CA GLN A 105 6.968 -1.130 -9.976 1.00 25.00 C ATOM 1639 C GLN A 105 7.480 -2.000 -11.137 1.00 25.00 C ATOM 1640 O GLN A 105 6.754 -2.243 -12.105 1.00 25.00 O ATOM 1641 CB GLN A 105 7.290 0.339 -10.269 1.00 25.00 C ATOM 1642 CG GLN A 105 6.581 0.890 -11.504 1.00 25.00 C ATOM 1643 CD GLN A 105 6.751 2.393 -11.696 1.00 25.00 C ATOM 1644 OE1 GLN A 105 7.526 3.030 -10.985 1.00 25.00 O ATOM 1645 NE2 GLN A 105 6.069 2.958 -12.690 1.00 25.00 N ATOM 0 H GLN A 105 7.923 -0.706 -8.149 1.00 25.00 H new ATOM 0 HA GLN A 105 5.893 -1.295 -9.909 1.00 25.00 H new ATOM 0 HB2 GLN A 105 7.014 0.942 -9.404 1.00 25.00 H new ATOM 0 HB3 GLN A 105 8.367 0.446 -10.401 1.00 25.00 H new ATOM 0 HG2 GLN A 105 6.959 0.376 -12.388 1.00 25.00 H new ATOM 0 HG3 GLN A 105 5.518 0.661 -11.433 1.00 25.00 H new ATOM 0 HE21 GLN A 105 5.435 2.396 -13.258 1.00 25.00 H new ATOM 0 HE22 GLN A 105 6.180 3.953 -12.884 1.00 25.00 H new ATOM 1654 N GLN A 106 8.729 -2.459 -11.021 1.00 25.00 N ATOM 1655 CA GLN A 106 9.360 -3.318 -12.030 1.00 25.00 C ATOM 1656 C GLN A 106 8.951 -4.786 -11.837 1.00 25.00 C ATOM 1657 O GLN A 106 9.056 -5.597 -12.761 1.00 25.00 O ATOM 1658 CB GLN A 106 10.889 -3.158 -11.958 1.00 25.00 C ATOM 1659 CG GLN A 106 11.391 -1.791 -12.425 1.00 25.00 C ATOM 1660 CD GLN A 106 12.869 -1.550 -12.144 1.00 25.00 C ATOM 1661 OE1 GLN A 106 13.561 -2.396 -11.570 1.00 25.00 O ATOM 1662 NE2 GLN A 106 13.362 -0.385 -12.549 1.00 25.00 N ATOM 0 H GLN A 106 9.332 -2.247 -10.226 1.00 25.00 H new ATOM 0 HA GLN A 106 9.018 -3.012 -13.019 1.00 25.00 H new ATOM 0 HB2 GLN A 106 11.214 -3.322 -10.931 1.00 25.00 H new ATOM 0 HB3 GLN A 106 11.355 -3.933 -12.567 1.00 25.00 H new ATOM 0 HG2 GLN A 106 11.214 -1.696 -13.496 1.00 25.00 H new ATOM 0 HG3 GLN A 106 10.806 -1.013 -11.935 1.00 25.00 H new ATOM 0 HE21 GLN A 106 12.758 0.288 -13.020 1.00 25.00 H new ATOM 0 HE22 GLN A 106 14.345 -0.164 -12.389 1.00 25.00 H new ATOM 1671 N ILE A 107 8.486 -5.105 -10.619 1.00 25.00 N ATOM 1672 CA ILE A 107 7.990 -6.440 -10.267 1.00 25.00 C ATOM 1673 C ILE A 107 6.514 -6.631 -10.694 1.00 25.00 C ATOM 1674 O ILE A 107 6.163 -7.684 -11.233 1.00 25.00 O ATOM 1675 CB ILE A 107 8.159 -6.702 -8.727 1.00 25.00 C ATOM 1676 CG1 ILE A 107 9.665 -6.713 -8.343 1.00 25.00 C ATOM 1677 CG2 ILE A 107 7.473 -8.006 -8.311 1.00 25.00 C ATOM 1678 CD1 ILE A 107 9.973 -6.763 -6.848 1.00 25.00 C ATOM 0 H ILE A 107 8.444 -4.438 -9.848 1.00 25.00 H new ATOM 0 HA ILE A 107 8.587 -7.170 -10.814 1.00 25.00 H new ATOM 0 HB ILE A 107 7.674 -5.890 -8.186 1.00 25.00 H new ATOM 0 HG12 ILE A 107 10.135 -7.573 -8.820 1.00 25.00 H new ATOM 0 HG13 ILE A 107 10.133 -5.822 -8.761 1.00 25.00 H new ATOM 0 HG21 ILE A 107 7.606 -8.162 -7.240 1.00 25.00 H new ATOM 0 HG22 ILE A 107 6.409 -7.946 -8.539 1.00 25.00 H new ATOM 0 HG23 ILE A 107 7.915 -8.840 -8.857 1.00 25.00 H new ATOM 0 HD11 ILE A 107 11.053 -6.767 -6.699 1.00 25.00 H new ATOM 0 HD12 ILE A 107 9.542 -5.890 -6.358 1.00 25.00 H new ATOM 0 HD13 ILE A 107 9.544 -7.668 -6.418 1.00 25.00 H new ATOM 1690 N ILE A 108 5.661 -5.619 -10.448 1.00 25.00 N ATOM 1691 CA ILE A 108 4.214 -5.712 -10.764 1.00 25.00 C ATOM 1692 C ILE A 108 3.978 -5.694 -12.278 1.00 25.00 C ATOM 1693 O ILE A 108 3.077 -6.370 -12.775 1.00 25.00 O ATOM 1694 CB ILE A 108 3.387 -4.570 -10.092 1.00 25.00 C ATOM 1695 CG1 ILE A 108 3.511 -4.662 -8.570 1.00 25.00 C ATOM 1696 CG2 ILE A 108 1.905 -4.659 -10.492 1.00 25.00 C ATOM 1697 CD1 ILE A 108 3.291 -3.360 -7.832 1.00 25.00 C ATOM 0 H ILE A 108 5.942 -4.730 -10.034 1.00 25.00 H new ATOM 0 HA ILE A 108 3.870 -6.663 -10.357 1.00 25.00 H new ATOM 0 HB ILE A 108 3.784 -3.615 -10.435 1.00 25.00 H new ATOM 0 HG12 ILE A 108 2.792 -5.395 -8.205 1.00 25.00 H new ATOM 0 HG13 ILE A 108 4.503 -5.039 -8.323 1.00 25.00 H new ATOM 0 HG21 ILE A 108 1.349 -3.853 -10.012 1.00 25.00 H new ATOM 0 HG22 ILE A 108 1.814 -4.567 -11.574 1.00 25.00 H new ATOM 0 HG23 ILE A 108 1.499 -5.619 -10.174 1.00 25.00 H new ATOM 0 HD11 ILE A 108 3.399 -3.526 -6.760 1.00 25.00 H new ATOM 0 HD12 ILE A 108 4.027 -2.626 -8.162 1.00 25.00 H new ATOM 0 HD13 ILE A 108 2.288 -2.988 -8.042 1.00 25.00 H new ATOM 1709 N SER A 109 4.798 -4.917 -12.990 1.00 25.00 N ATOM 1710 CA SER A 109 4.742 -4.831 -14.462 1.00 25.00 C ATOM 1711 C SER A 109 5.081 -6.182 -15.127 1.00 25.00 C ATOM 1712 O SER A 109 4.772 -6.395 -16.303 1.00 25.00 O ATOM 1713 CB SER A 109 5.692 -3.734 -14.955 1.00 25.00 C ATOM 1714 OG SER A 109 7.050 -4.085 -14.740 1.00 25.00 O ATOM 0 H SER A 109 5.519 -4.330 -12.570 1.00 25.00 H new ATOM 0 HA SER A 109 3.721 -4.578 -14.747 1.00 25.00 H new ATOM 0 HB2 SER A 109 5.525 -3.557 -16.018 1.00 25.00 H new ATOM 0 HB3 SER A 109 5.470 -2.800 -14.438 1.00 25.00 H new ATOM 0 HG SER A 109 7.630 -3.365 -15.066 1.00 25.00 H new ATOM 1720 N ARG A 110 5.715 -7.084 -14.355 1.00 25.00 N ATOM 1721 CA ARG A 110 5.978 -8.466 -14.795 1.00 25.00 C ATOM 1722 C ARG A 110 4.716 -9.326 -14.679 1.00 25.00 C ATOM 1723 O ARG A 110 4.400 -10.106 -15.580 1.00 25.00 O ATOM 1724 CB ARG A 110 7.100 -9.099 -13.972 1.00 25.00 C ATOM 1725 CG ARG A 110 8.467 -8.498 -14.241 1.00 25.00 C ATOM 1726 CD ARG A 110 9.520 -9.099 -13.332 1.00 25.00 C ATOM 1727 NE ARG A 110 10.851 -8.514 -13.547 1.00 25.00 N ATOM 1728 CZ ARG A 110 11.700 -8.162 -12.569 1.00 25.00 C ATOM 1729 NH1 ARG A 110 11.379 -8.321 -11.286 1.00 25.00 N ATOM 1730 NH2 ARG A 110 12.883 -7.648 -12.881 1.00 25.00 N ATOM 0 H ARG A 110 6.057 -6.878 -13.416 1.00 25.00 H new ATOM 0 HA ARG A 110 6.285 -8.422 -15.840 1.00 25.00 H new ATOM 0 HB2 ARG A 110 6.867 -8.991 -12.913 1.00 25.00 H new ATOM 0 HB3 ARG A 110 7.135 -10.168 -14.183 1.00 25.00 H new ATOM 0 HG2 ARG A 110 8.743 -8.667 -15.282 1.00 25.00 H new ATOM 0 HG3 ARG A 110 8.428 -7.419 -14.093 1.00 25.00 H new ATOM 0 HD2 ARG A 110 9.225 -8.951 -12.293 1.00 25.00 H new ATOM 0 HD3 ARG A 110 9.568 -10.175 -13.500 1.00 25.00 H new ATOM 0 HE ARG A 110 11.152 -8.365 -14.510 1.00 25.00 H new ATOM 0 HH11 ARG A 110 10.474 -8.717 -11.032 1.00 25.00 H new ATOM 0 HH12 ARG A 110 12.038 -8.047 -10.558 1.00 25.00 H new ATOM 0 HH21 ARG A 110 13.142 -7.522 -13.859 1.00 25.00 H new ATOM 0 HH22 ARG A 110 13.533 -7.378 -12.142 1.00 25.00 H new ATOM 1744 N TYR A 111 4.007 -9.168 -13.550 1.00 25.00 N ATOM 1745 CA TYR A 111 2.719 -9.848 -13.310 1.00 25.00 C ATOM 1746 C TYR A 111 1.560 -9.092 -13.972 1.00 25.00 C ATOM 1747 O TYR A 111 0.409 -9.541 -13.944 1.00 25.00 O ATOM 1748 CB TYR A 111 2.463 -9.994 -11.806 1.00 25.00 C ATOM 1749 CG TYR A 111 3.589 -10.697 -11.072 1.00 25.00 C ATOM 1750 CD1 TYR A 111 4.501 -9.978 -10.311 1.00 25.00 C ATOM 1751 CD2 TYR A 111 3.745 -12.079 -11.153 1.00 25.00 C ATOM 1752 CE1 TYR A 111 5.534 -10.614 -9.655 1.00 25.00 C ATOM 1753 CE2 TYR A 111 4.774 -12.719 -10.499 1.00 25.00 C ATOM 1754 CZ TYR A 111 5.632 -11.983 -9.701 1.00 25.00 C ATOM 1755 OH TYR A 111 6.698 -12.617 -9.103 1.00 25.00 O ATOM 0 H TYR A 111 4.306 -8.569 -12.780 1.00 25.00 H new ATOM 0 HA TYR A 111 2.777 -10.840 -13.758 1.00 25.00 H new ATOM 0 HB2 TYR A 111 2.317 -9.005 -11.372 1.00 25.00 H new ATOM 0 HB3 TYR A 111 1.537 -10.549 -11.654 1.00 25.00 H new ATOM 0 HD1 TYR A 111 4.400 -8.906 -10.232 1.00 25.00 H new ATOM 0 HD2 TYR A 111 3.047 -12.658 -11.739 1.00 25.00 H new ATOM 0 HE1 TYR A 111 6.264 -10.037 -9.107 1.00 25.00 H new ATOM 0 HE2 TYR A 111 4.910 -13.785 -10.608 1.00 25.00 H new ATOM 0 HH TYR A 111 7.482 -12.029 -9.124 1.00 25.00 H new ATOM 1765 N LYS A 112 1.893 -7.944 -14.574 1.00 25.00 N ATOM 1766 CA LYS A 112 0.938 -7.115 -15.302 1.00 25.00 C ATOM 1767 C LYS A 112 0.834 -7.596 -16.756 1.00 25.00 C ATOM 1768 O LYS A 112 -0.225 -7.498 -17.382 1.00 25.00 O ATOM 1769 CB LYS A 112 1.403 -5.657 -15.249 1.00 25.00 C ATOM 1770 CG LYS A 112 0.392 -4.654 -15.801 1.00 25.00 C ATOM 1771 CD LYS A 112 -0.862 -4.508 -14.917 1.00 25.00 C ATOM 1772 CE LYS A 112 -1.875 -3.481 -15.443 1.00 25.00 C ATOM 1773 NZ LYS A 112 -3.083 -3.365 -14.575 1.00 25.00 N ATOM 0 H LYS A 112 2.840 -7.566 -14.567 1.00 25.00 H new ATOM 0 HA LYS A 112 -0.048 -7.193 -14.844 1.00 25.00 H new ATOM 0 HB2 LYS A 112 1.627 -5.397 -14.215 1.00 25.00 H new ATOM 0 HB3 LYS A 112 2.333 -5.564 -15.810 1.00 25.00 H new ATOM 0 HG2 LYS A 112 0.873 -3.681 -15.902 1.00 25.00 H new ATOM 0 HG3 LYS A 112 0.090 -4.965 -16.801 1.00 25.00 H new ATOM 0 HD2 LYS A 112 -1.352 -5.478 -14.835 1.00 25.00 H new ATOM 0 HD3 LYS A 112 -0.555 -4.219 -13.912 1.00 25.00 H new ATOM 0 HE2 LYS A 112 -1.392 -2.507 -15.518 1.00 25.00 H new ATOM 0 HE3 LYS A 112 -2.182 -3.763 -16.450 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 -3.462 -2.398 -14.635 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 -3.806 -4.041 -14.894 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 -2.824 -3.575 -13.590 1.00 25.00 H new