USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 724 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 59 MET CE :methyl 179:sc= -2.09 (180deg=-2.11) USER MOD Set 1.2: A 90 SER OG : rot 180:sc= -1.06 USER MOD Set 2.1: A 51 THR OG1 : rot 110:sc= 0.914 USER MOD Set 2.2: A 97 MET CE :methyl -140:sc= -0.158 (180deg=-0.665) USER MOD Single : A 4 SER OG : rot 33:sc= 0.2 USER MOD Single : A 11 LYS NZ :NH3+ -167:sc= -0.147 (180deg=-0.541) USER MOD Single : A 13 SER OG : rot 180:sc= -0.951 USER MOD Single : A 19 ASN : amide:sc=-0.000728 X(o=-0.00073,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0399 USER MOD Single : A 31 SER OG : rot 180:sc=0.000763 USER MOD Single : A 32 THR OG1 : rot 80:sc= 0.0188 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -3.44 K(o=-3.4,f=-1.2) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 44:sc= 0.831 USER MOD Single : A 44 THR OG1 : rot -41:sc= 0.791 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -0.888 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -159:sc= -3.05 (180deg=-5.18!) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl -134:sc= -0.9 (180deg=-2.32) USER MOD Single : A 92 ASN : amide:sc= -1.13 K(o=-1.1,f=-5.4!) USER MOD Single : A 93 ASN : amide:sc= -1.87! C(o=-1.9!,f=-5.6!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -1.59 K(o=-1.6,f=-2.7) USER MOD Single : A 101 LYS NZ :NH3+ 167:sc= -0.0026 (180deg=-0.164) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -1.45 K(o=-1.4,f=-2.2!) USER MOD Single : A 106 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.26) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= -0.887 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N SER A 4 -7.653 7.836 6.076 1.00 0.00 N ATOM 47 CA SER A 4 -7.191 6.970 7.155 1.00 0.00 C ATOM 48 C SER A 4 -8.227 5.899 7.477 1.00 0.00 C ATOM 49 O SER A 4 -9.391 6.201 7.739 1.00 0.00 O ATOM 50 CB SER A 4 -6.891 7.798 8.406 1.00 0.00 C ATOM 51 OG SER A 4 -8.035 8.520 8.828 1.00 0.00 O ATOM 0 HA SER A 4 -6.277 6.476 6.825 1.00 0.00 H new ATOM 0 HB2 SER A 4 -6.556 7.141 9.209 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.076 8.491 8.200 1.00 0.00 H new ATOM 0 HG SER A 4 -8.842 8.001 8.627 1.00 0.00 H new ATOM 57 N GLY A 5 -7.789 4.646 7.456 1.00 0.00 N ATOM 58 CA GLY A 5 -8.679 3.539 7.749 1.00 0.00 C ATOM 59 C GLY A 5 -7.923 2.328 8.255 1.00 0.00 C ATOM 60 O GLY A 5 -6.760 2.127 7.906 1.00 0.00 O ATOM 0 H GLY A 5 -6.829 4.376 7.240 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.411 3.849 8.495 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -9.234 3.271 6.850 1.00 0.00 H new ATOM 64 N ALA A 6 -8.575 1.522 9.083 1.00 0.00 N ATOM 65 CA ALA A 6 -7.938 0.334 9.632 1.00 0.00 C ATOM 66 C ALA A 6 -7.614 -0.674 8.541 1.00 0.00 C ATOM 67 O ALA A 6 -8.412 -0.902 7.631 1.00 0.00 O ATOM 68 CB ALA A 6 -8.811 -0.309 10.693 1.00 0.00 C ATOM 0 H ALA A 6 -9.538 1.668 9.387 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.003 0.650 10.094 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.312 -1.194 11.087 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.983 0.401 11.502 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.766 -0.596 10.253 1.00 0.00 H new ATOM 74 N ALA A 7 -6.435 -1.274 8.641 1.00 0.00 N ATOM 75 CA ALA A 7 -5.998 -2.261 7.665 1.00 0.00 C ATOM 76 C ALA A 7 -4.965 -3.220 8.253 1.00 0.00 C ATOM 77 O ALA A 7 -4.158 -2.833 9.098 1.00 0.00 O ATOM 78 CB ALA A 7 -5.430 -1.566 6.438 1.00 0.00 C ATOM 0 H ALA A 7 -5.765 -1.094 9.389 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.868 -2.850 7.376 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.106 -2.313 5.714 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.197 -0.935 5.989 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.579 -0.951 6.730 1.00 0.00 H new ATOM 84 N ILE A 8 -4.990 -4.471 7.795 1.00 0.00 N ATOM 85 CA ILE A 8 -4.052 -5.479 8.272 1.00 0.00 C ATOM 86 C ILE A 8 -2.864 -5.616 7.334 1.00 0.00 C ATOM 87 O ILE A 8 -3.007 -5.544 6.114 1.00 0.00 O ATOM 88 CB ILE A 8 -4.713 -6.862 8.380 1.00 0.00 C ATOM 89 CG1 ILE A 8 -6.014 -6.780 9.159 1.00 0.00 C ATOM 90 CG2 ILE A 8 -3.773 -7.874 9.026 1.00 0.00 C ATOM 91 CD1 ILE A 8 -6.870 -7.999 8.959 1.00 0.00 C ATOM 0 H ILE A 8 -5.650 -4.808 7.094 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.723 -5.143 9.256 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.935 -7.201 7.368 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.794 -6.662 10.220 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.567 -5.894 8.848 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.269 -8.843 9.089 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.869 -7.967 8.424 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.508 -7.537 10.028 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.790 -7.896 9.535 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.114 -8.103 7.902 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.328 -8.883 9.295 1.00 0.00 H new ATOM 103 N PHE A 9 -1.700 -5.841 7.917 1.00 0.00 N ATOM 104 CA PHE A 9 -0.484 -6.023 7.143 1.00 0.00 C ATOM 105 C PHE A 9 0.417 -7.044 7.825 1.00 0.00 C ATOM 106 O PHE A 9 1.027 -6.762 8.854 1.00 0.00 O ATOM 107 CB PHE A 9 0.247 -4.694 6.966 1.00 0.00 C ATOM 108 CG PHE A 9 1.513 -4.809 6.169 1.00 0.00 C ATOM 109 CD1 PHE A 9 1.494 -5.327 4.885 1.00 0.00 C ATOM 110 CD2 PHE A 9 2.721 -4.400 6.705 1.00 0.00 C ATOM 111 CE1 PHE A 9 2.659 -5.434 4.148 1.00 0.00 C ATOM 112 CE2 PHE A 9 3.891 -4.504 5.975 1.00 0.00 C ATOM 113 CZ PHE A 9 3.859 -5.023 4.694 1.00 0.00 C ATOM 0 H PHE A 9 -1.571 -5.902 8.927 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.751 -6.395 6.154 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -0.419 -3.985 6.475 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.481 -4.284 7.948 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.558 -5.651 4.454 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.751 -3.995 7.706 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.631 -5.838 3.147 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.828 -4.181 6.405 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.771 -5.107 4.121 1.00 0.00 H new ATOM 123 N GLU A 10 0.484 -8.241 7.244 1.00 0.00 N ATOM 124 CA GLU A 10 1.295 -9.327 7.782 1.00 0.00 C ATOM 125 C GLU A 10 0.603 -9.999 8.969 1.00 0.00 C ATOM 126 O GLU A 10 1.214 -10.212 10.016 1.00 0.00 O ATOM 127 CB GLU A 10 2.678 -8.820 8.193 1.00 0.00 C ATOM 128 CG GLU A 10 3.374 -8.005 7.115 1.00 0.00 C ATOM 129 CD GLU A 10 4.784 -7.605 7.504 1.00 0.00 C ATOM 130 OE1 GLU A 10 5.140 -7.759 8.691 1.00 0.00 O ATOM 131 OE2 GLU A 10 5.533 -7.133 6.621 1.00 0.00 O ATOM 0 H GLU A 10 -0.021 -8.483 6.391 1.00 0.00 H new ATOM 0 HA GLU A 10 1.417 -10.070 6.994 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.580 -8.210 9.091 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.305 -9.672 8.454 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.406 -8.583 6.192 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.790 -7.108 6.909 1.00 0.00 H new ATOM 138 N LYS A 11 -0.670 -10.355 8.786 1.00 0.00 N ATOM 139 CA LYS A 11 -1.440 -11.027 9.819 1.00 0.00 C ATOM 140 C LYS A 11 -1.610 -10.179 11.077 1.00 0.00 C ATOM 141 O LYS A 11 -2.048 -10.680 12.113 1.00 0.00 O ATOM 142 CB LYS A 11 -0.775 -12.352 10.149 1.00 0.00 C ATOM 143 CG LYS A 11 -1.166 -13.466 9.195 1.00 0.00 C ATOM 144 CD LYS A 11 -0.186 -14.626 9.258 1.00 0.00 C ATOM 145 CE LYS A 11 1.197 -14.213 8.784 1.00 0.00 C ATOM 146 NZ LYS A 11 1.143 -13.465 7.497 1.00 0.00 N ATOM 0 H LYS A 11 -1.187 -10.185 7.923 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.444 -11.198 9.431 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.307 -12.225 10.126 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.040 -12.642 11.166 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.167 -13.821 9.440 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.206 -13.077 8.177 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.125 -14.997 10.281 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.553 -15.447 8.642 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.671 -13.593 9.545 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.819 -15.100 8.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.100 -13.393 7.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.525 -13.968 6.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.766 -12.511 7.666 1.00 0.00 H new ATOM 160 N VAL A 12 -1.294 -8.890 10.984 1.00 0.00 N ATOM 161 CA VAL A 12 -1.452 -7.992 12.104 1.00 0.00 C ATOM 162 C VAL A 12 -2.336 -6.829 11.687 1.00 0.00 C ATOM 163 O VAL A 12 -2.219 -6.329 10.571 1.00 0.00 O ATOM 164 CB VAL A 12 -0.096 -7.472 12.622 1.00 0.00 C ATOM 165 CG1 VAL A 12 -0.295 -6.498 13.776 1.00 0.00 C ATOM 166 CG2 VAL A 12 0.792 -8.631 13.045 1.00 0.00 C ATOM 0 H VAL A 12 -0.927 -8.452 10.139 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.918 -8.543 12.921 1.00 0.00 H new ATOM 0 HB VAL A 12 0.398 -6.938 11.810 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.675 -6.144 14.125 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.890 -5.650 13.438 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.813 -7.002 14.592 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.745 -8.246 13.408 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.302 -9.194 13.839 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.967 -9.286 12.191 1.00 0.00 H new ATOM 176 N SER A 13 -3.242 -6.421 12.564 1.00 0.00 N ATOM 177 CA SER A 13 -4.157 -5.336 12.241 1.00 0.00 C ATOM 178 C SER A 13 -3.729 -4.026 12.886 1.00 0.00 C ATOM 179 O SER A 13 -3.205 -4.001 14.000 1.00 0.00 O ATOM 180 CB SER A 13 -5.578 -5.691 12.680 1.00 0.00 C ATOM 181 OG SER A 13 -5.868 -7.053 12.414 1.00 0.00 O ATOM 0 H SER A 13 -3.363 -6.820 13.495 1.00 0.00 H new ATOM 0 HA SER A 13 -4.134 -5.201 11.160 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.693 -5.493 13.746 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.293 -5.055 12.158 1.00 0.00 H new ATOM 0 HG SER A 13 -6.782 -7.256 12.705 1.00 0.00 H new ATOM 187 N GLY A 14 -3.967 -2.942 12.163 1.00 0.00 N ATOM 188 CA GLY A 14 -3.621 -1.625 12.646 1.00 0.00 C ATOM 189 C GLY A 14 -4.307 -0.543 11.838 1.00 0.00 C ATOM 190 O GLY A 14 -5.053 -0.842 10.906 1.00 0.00 O ATOM 0 H GLY A 14 -4.399 -2.954 11.239 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.905 -1.534 13.694 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -2.541 -1.489 12.596 1.00 0.00 H new ATOM 194 N ILE A 15 -4.064 0.712 12.189 1.00 0.00 N ATOM 195 CA ILE A 15 -4.675 1.821 11.476 1.00 0.00 C ATOM 196 C ILE A 15 -3.772 2.315 10.354 1.00 0.00 C ATOM 197 O ILE A 15 -2.600 2.628 10.568 1.00 0.00 O ATOM 198 CB ILE A 15 -5.019 2.979 12.434 1.00 0.00 C ATOM 199 CG1 ILE A 15 -6.066 2.498 13.452 1.00 0.00 C ATOM 200 CG2 ILE A 15 -5.509 4.197 11.654 1.00 0.00 C ATOM 201 CD1 ILE A 15 -7.365 3.281 13.437 1.00 0.00 C ATOM 0 H ILE A 15 -3.452 0.985 12.958 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.602 1.455 11.036 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.123 3.285 12.975 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.287 1.448 13.258 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.635 2.554 14.451 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.746 5.003 12.349 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.729 4.527 10.968 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.402 3.931 11.088 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.044 2.873 14.186 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.162 4.328 13.663 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.824 3.205 12.451 1.00 0.00 H new ATOM 213 N ILE A 16 -4.335 2.370 9.153 1.00 0.00 N ATOM 214 CA ILE A 16 -3.605 2.809 7.977 1.00 0.00 C ATOM 215 C ILE A 16 -3.967 4.251 7.625 1.00 0.00 C ATOM 216 O ILE A 16 -5.126 4.562 7.352 1.00 0.00 O ATOM 217 CB ILE A 16 -3.909 1.871 6.778 1.00 0.00 C ATOM 218 CG1 ILE A 16 -2.742 0.908 6.554 1.00 0.00 C ATOM 219 CG2 ILE A 16 -4.208 2.664 5.507 1.00 0.00 C ATOM 220 CD1 ILE A 16 -2.859 0.080 5.290 1.00 0.00 C ATOM 0 H ILE A 16 -5.305 2.113 8.970 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.538 2.767 8.197 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.801 1.294 7.019 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.815 1.480 6.517 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.669 0.237 7.410 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.416 1.975 4.689 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.075 3.303 5.673 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.346 3.281 5.252 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.993 -0.577 5.204 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.768 -0.521 5.331 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.900 0.741 4.424 1.00 0.00 H new ATOM 232 N ALA A 17 -2.967 5.124 7.630 1.00 0.00 N ATOM 233 CA ALA A 17 -3.179 6.528 7.307 1.00 0.00 C ATOM 234 C ALA A 17 -2.439 6.908 6.032 1.00 0.00 C ATOM 235 O ALA A 17 -1.331 6.431 5.780 1.00 0.00 O ATOM 236 CB ALA A 17 -2.733 7.413 8.461 1.00 0.00 C ATOM 0 H ALA A 17 -2.001 4.884 7.854 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.246 6.681 7.142 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.899 8.459 8.202 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.308 7.164 9.353 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.673 7.251 8.655 1.00 0.00 H new ATOM 242 N ILE A 18 -3.054 7.765 5.228 1.00 0.00 N ATOM 243 CA ILE A 18 -2.454 8.204 3.981 1.00 0.00 C ATOM 244 C ILE A 18 -1.922 9.629 4.109 1.00 0.00 C ATOM 245 O ILE A 18 -2.690 10.579 4.265 1.00 0.00 O ATOM 246 CB ILE A 18 -3.473 8.110 2.821 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.287 6.793 2.066 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.348 9.291 1.870 1.00 0.00 C ATOM 249 CD1 ILE A 18 -4.476 6.414 1.210 1.00 0.00 C ATOM 0 H ILE A 18 -3.970 8.169 5.420 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.616 7.543 3.758 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.475 8.138 3.249 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.403 6.868 1.433 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.098 5.995 2.784 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.079 9.191 1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.531 10.217 2.414 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.344 9.312 1.445 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.274 5.470 0.704 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.359 6.306 1.840 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.653 7.193 0.468 1.00 0.00 H new ATOM 261 N ASN A 19 -0.602 9.769 4.042 1.00 0.00 N ATOM 262 CA ASN A 19 0.033 11.076 4.149 1.00 0.00 C ATOM 263 C ASN A 19 0.459 11.586 2.779 1.00 0.00 C ATOM 264 O ASN A 19 1.399 11.067 2.175 1.00 0.00 O ATOM 265 CB ASN A 19 1.245 11.002 5.078 1.00 0.00 C ATOM 266 CG ASN A 19 1.764 12.374 5.464 1.00 0.00 C ATOM 267 OD1 ASN A 19 1.058 13.162 6.095 1.00 0.00 O ATOM 268 ND2 ASN A 19 3.002 12.666 5.085 1.00 0.00 N ATOM 0 H ASN A 19 0.048 8.993 3.914 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.694 11.773 4.566 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.975 10.452 5.980 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.041 10.440 4.588 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.405 13.574 5.315 1.00 0.00 H new ATOM 0 HD22 ASN A 19 3.550 11.982 4.564 1.00 0.00 H new ATOM 275 N GLU A 20 -0.233 12.611 2.298 1.00 0.00 N ATOM 276 CA GLU A 20 0.076 13.203 1.002 1.00 0.00 C ATOM 277 C GLU A 20 0.707 14.584 1.170 1.00 0.00 C ATOM 278 O GLU A 20 1.106 15.217 0.193 1.00 0.00 O ATOM 279 CB GLU A 20 -1.188 13.307 0.144 1.00 0.00 C ATOM 280 CG GLU A 20 -2.431 13.696 0.929 1.00 0.00 C ATOM 281 CD GLU A 20 -3.661 13.827 0.051 1.00 0.00 C ATOM 282 OE1 GLU A 20 -3.508 13.827 -1.189 1.00 0.00 O ATOM 283 OE2 GLU A 20 -4.776 13.929 0.603 1.00 0.00 O ATOM 0 H GLU A 20 -1.013 13.050 2.786 1.00 0.00 H new ATOM 0 HA GLU A 20 0.792 12.554 0.499 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.022 14.042 -0.644 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.364 12.349 -0.346 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.618 12.948 1.700 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.252 14.642 1.440 1.00 0.00 H new ATOM 290 N ASP A 21 0.797 15.045 2.416 1.00 0.00 N ATOM 291 CA ASP A 21 1.380 16.346 2.708 1.00 0.00 C ATOM 292 C ASP A 21 2.853 16.388 2.321 1.00 0.00 C ATOM 293 O ASP A 21 3.425 17.465 2.143 1.00 0.00 O ATOM 294 CB ASP A 21 1.222 16.677 4.193 1.00 0.00 C ATOM 295 CG ASP A 21 -0.227 16.866 4.594 1.00 0.00 C ATOM 296 OD1 ASP A 21 -1.073 17.050 3.693 1.00 0.00 O ATOM 297 OD2 ASP A 21 -0.518 16.832 5.808 1.00 0.00 O ATOM 0 H ASP A 21 0.473 14.534 3.237 1.00 0.00 H new ATOM 0 HA ASP A 21 0.849 17.092 2.116 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.659 15.876 4.789 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.780 17.585 4.421 1.00 0.00 H new ATOM 302 N VAL A 22 3.466 15.217 2.190 1.00 0.00 N ATOM 303 CA VAL A 22 4.865 15.135 1.824 1.00 0.00 C ATOM 304 C VAL A 22 5.020 14.931 0.319 1.00 0.00 C ATOM 305 O VAL A 22 4.091 15.181 -0.448 1.00 0.00 O ATOM 306 CB VAL A 22 5.586 14.007 2.605 1.00 0.00 C ATOM 307 CG1 VAL A 22 5.473 12.667 1.891 1.00 0.00 C ATOM 308 CG2 VAL A 22 7.043 14.373 2.857 1.00 0.00 C ATOM 0 H VAL A 22 3.012 14.315 2.333 1.00 0.00 H new ATOM 0 HA VAL A 22 5.334 16.081 2.093 1.00 0.00 H new ATOM 0 HB VAL A 22 5.088 13.902 3.569 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.991 11.902 2.469 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.422 12.396 1.790 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.925 12.742 0.902 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.531 13.568 3.406 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.551 14.522 1.904 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.092 15.292 3.441 1.00 0.00 H new ATOM 318 N SER A 23 6.193 14.476 -0.093 1.00 0.00 N ATOM 319 CA SER A 23 6.464 14.239 -1.505 1.00 0.00 C ATOM 320 C SER A 23 7.734 13.410 -1.686 1.00 0.00 C ATOM 321 O SER A 23 8.832 13.876 -1.379 1.00 0.00 O ATOM 322 CB SER A 23 6.598 15.568 -2.249 1.00 0.00 C ATOM 323 OG SER A 23 7.016 16.603 -1.376 1.00 0.00 O ATOM 0 H SER A 23 6.973 14.263 0.529 1.00 0.00 H new ATOM 0 HA SER A 23 5.626 13.680 -1.921 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.316 15.462 -3.062 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.642 15.833 -2.701 1.00 0.00 H new ATOM 0 HG SER A 23 7.095 17.441 -1.877 1.00 0.00 H new ATOM 329 N PRO A 24 7.610 12.166 -2.186 1.00 0.00 N ATOM 330 CA PRO A 24 6.324 11.566 -2.565 1.00 0.00 C ATOM 331 C PRO A 24 5.482 11.188 -1.350 1.00 0.00 C ATOM 332 O PRO A 24 6.017 10.883 -0.283 1.00 0.00 O ATOM 333 CB PRO A 24 6.721 10.305 -3.352 1.00 0.00 C ATOM 334 CG PRO A 24 8.201 10.392 -3.547 1.00 0.00 C ATOM 335 CD PRO A 24 8.720 11.242 -2.424 1.00 0.00 C ATOM 0 HA PRO A 24 5.710 12.261 -3.138 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.452 9.402 -2.804 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.203 10.263 -4.310 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.655 9.401 -3.528 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.441 10.834 -4.514 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.951 10.649 -1.539 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.633 11.768 -2.702 1.00 0.00 H new ATOM 343 N ALA A 25 4.161 11.200 -1.521 1.00 0.00 N ATOM 344 CA ALA A 25 3.246 10.848 -0.439 1.00 0.00 C ATOM 345 C ALA A 25 3.588 9.474 0.134 1.00 0.00 C ATOM 346 O ALA A 25 4.420 8.756 -0.420 1.00 0.00 O ATOM 347 CB ALA A 25 1.811 10.865 -0.942 1.00 0.00 C ATOM 0 H ALA A 25 3.702 11.449 -2.397 1.00 0.00 H new ATOM 0 HA ALA A 25 3.352 11.586 0.356 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.137 10.601 -0.127 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.565 11.862 -1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.701 10.144 -1.752 1.00 0.00 H new ATOM 353 N GLU A 26 2.949 9.112 1.242 1.00 0.00 N ATOM 354 CA GLU A 26 3.203 7.820 1.874 1.00 0.00 C ATOM 355 C GLU A 26 2.022 7.376 2.732 1.00 0.00 C ATOM 356 O GLU A 26 1.294 8.201 3.283 1.00 0.00 O ATOM 357 CB GLU A 26 4.468 7.891 2.731 1.00 0.00 C ATOM 358 CG GLU A 26 5.722 8.232 1.941 1.00 0.00 C ATOM 359 CD GLU A 26 6.980 8.166 2.784 1.00 0.00 C ATOM 360 OE1 GLU A 26 6.861 8.082 4.025 1.00 0.00 O ATOM 361 OE2 GLU A 26 8.085 8.199 2.204 1.00 0.00 O ATOM 0 H GLU A 26 2.256 9.689 1.719 1.00 0.00 H new ATOM 0 HA GLU A 26 3.342 7.085 1.081 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.326 8.639 3.511 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.613 6.933 3.230 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.816 7.544 1.101 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.622 9.234 1.523 1.00 0.00 H new ATOM 368 N LEU A 27 1.844 6.062 2.844 1.00 0.00 N ATOM 369 CA LEU A 27 0.760 5.495 3.639 1.00 0.00 C ATOM 370 C LEU A 27 1.312 4.810 4.886 1.00 0.00 C ATOM 371 O LEU A 27 2.013 3.802 4.794 1.00 0.00 O ATOM 372 CB LEU A 27 -0.043 4.497 2.804 1.00 0.00 C ATOM 373 CG LEU A 27 -1.303 3.952 3.476 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.276 3.421 2.435 1.00 0.00 C ATOM 375 CD2 LEU A 27 -0.941 2.862 4.474 1.00 0.00 C ATOM 0 H LEU A 27 2.440 5.368 2.392 1.00 0.00 H new ATOM 0 HA LEU A 27 0.101 6.306 3.950 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.328 4.977 1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.604 3.658 2.547 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.788 4.766 4.014 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.167 3.037 2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.558 4.226 1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.802 2.619 1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.848 2.484 4.945 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.434 2.048 3.956 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.280 3.273 5.238 1.00 0.00 H new ATOM 387 N THR A 28 1.009 5.377 6.050 1.00 0.00 N ATOM 388 CA THR A 28 1.479 4.855 7.308 1.00 0.00 C ATOM 389 C THR A 28 0.544 3.781 7.862 1.00 0.00 C ATOM 390 O THR A 28 -0.671 3.842 7.673 1.00 0.00 O ATOM 391 CB THR A 28 1.581 6.013 8.289 1.00 0.00 C ATOM 392 OG1 THR A 28 1.492 7.255 7.612 1.00 0.00 O ATOM 393 CG2 THR A 28 2.866 6.015 9.066 1.00 0.00 C ATOM 0 H THR A 28 0.429 6.212 6.137 1.00 0.00 H new ATOM 0 HA THR A 28 2.451 4.385 7.158 1.00 0.00 H new ATOM 0 HB THR A 28 0.750 5.880 8.982 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.558 7.987 8.261 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.877 6.865 9.748 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.947 5.090 9.637 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.707 6.091 8.377 1.00 0.00 H new ATOM 401 N TRP A 29 1.126 2.811 8.556 1.00 0.00 N ATOM 402 CA TRP A 29 0.369 1.727 9.158 1.00 0.00 C ATOM 403 C TRP A 29 0.781 1.534 10.610 1.00 0.00 C ATOM 404 O TRP A 29 1.887 1.077 10.894 1.00 0.00 O ATOM 405 CB TRP A 29 0.590 0.420 8.401 1.00 0.00 C ATOM 406 CG TRP A 29 -0.163 -0.724 9.002 1.00 0.00 C ATOM 407 CD1 TRP A 29 -1.495 -0.754 9.280 1.00 0.00 C ATOM 408 CD2 TRP A 29 0.362 -1.991 9.422 1.00 0.00 C ATOM 409 NE1 TRP A 29 -1.840 -1.966 9.826 1.00 0.00 N ATOM 410 CE2 TRP A 29 -0.717 -2.740 9.923 1.00 0.00 C ATOM 411 CE3 TRP A 29 1.636 -2.570 9.416 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -0.564 -4.030 10.411 1.00 0.00 C ATOM 413 CZ3 TRP A 29 1.786 -3.857 9.904 1.00 0.00 C ATOM 414 CH2 TRP A 29 0.687 -4.575 10.394 1.00 0.00 C ATOM 0 H TRP A 29 2.132 2.756 8.716 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.687 1.994 9.108 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.282 0.548 7.363 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.654 0.185 8.391 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.182 0.059 9.097 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.779 -2.243 10.112 1.00 0.00 H new ATOM 0 HE3 TRP A 29 2.487 -2.023 9.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.408 -4.585 10.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.764 -4.314 9.907 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.833 -5.579 10.765 1.00 0.00 H new ATOM 425 N ARG A 30 -0.114 1.866 11.524 1.00 0.00 N ATOM 426 CA ARG A 30 0.168 1.705 12.943 1.00 0.00 C ATOM 427 C ARG A 30 -0.591 0.503 13.492 1.00 0.00 C ATOM 428 O ARG A 30 -1.802 0.398 13.318 1.00 0.00 O ATOM 429 CB ARG A 30 -0.219 2.968 13.716 1.00 0.00 C ATOM 430 CG ARG A 30 0.682 4.157 13.427 1.00 0.00 C ATOM 431 CD ARG A 30 0.130 5.435 14.038 1.00 0.00 C ATOM 432 NE ARG A 30 0.190 5.416 15.497 1.00 0.00 N ATOM 433 CZ ARG A 30 1.288 5.691 16.199 1.00 0.00 C ATOM 434 NH1 ARG A 30 2.419 6.004 15.579 1.00 0.00 N ATOM 435 NH2 ARG A 30 1.255 5.652 17.524 1.00 0.00 N ATOM 0 H ARG A 30 -1.037 2.246 11.313 1.00 0.00 H new ATOM 0 HA ARG A 30 1.238 1.538 13.067 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -1.247 3.234 13.470 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.192 2.753 14.784 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.679 3.964 13.823 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.786 4.283 12.349 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.695 6.289 13.663 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.903 5.572 13.720 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.660 5.178 16.009 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.450 6.035 14.560 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.257 6.214 16.122 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.389 5.411 18.006 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.096 5.863 18.062 1.00 0.00 H new ATOM 449 N SER A 31 0.122 -0.409 14.148 1.00 0.00 N ATOM 450 CA SER A 31 -0.502 -1.598 14.701 1.00 0.00 C ATOM 451 C SER A 31 -1.568 -1.224 15.719 1.00 0.00 C ATOM 452 O SER A 31 -1.567 -0.118 16.260 1.00 0.00 O ATOM 453 CB SER A 31 0.551 -2.503 15.345 1.00 0.00 C ATOM 454 OG SER A 31 -0.040 -3.403 16.268 1.00 0.00 O ATOM 0 H SER A 31 1.127 -0.344 14.307 1.00 0.00 H new ATOM 0 HA SER A 31 -0.981 -2.142 13.886 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.074 -3.064 14.571 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.296 -1.892 15.855 1.00 0.00 H new ATOM 0 HG SER A 31 0.655 -3.970 16.663 1.00 0.00 H new ATOM 460 N THR A 32 -2.470 -2.157 15.983 1.00 0.00 N ATOM 461 CA THR A 32 -3.536 -1.947 16.936 1.00 0.00 C ATOM 462 C THR A 32 -2.955 -1.647 18.309 1.00 0.00 C ATOM 463 O THR A 32 -3.532 -0.902 19.101 1.00 0.00 O ATOM 464 CB THR A 32 -4.394 -3.206 16.976 1.00 0.00 C ATOM 465 OG1 THR A 32 -5.454 -3.127 16.039 1.00 0.00 O ATOM 466 CG2 THR A 32 -4.993 -3.494 18.326 1.00 0.00 C ATOM 0 H THR A 32 -2.479 -3.076 15.541 1.00 0.00 H new ATOM 0 HA THR A 32 -4.148 -1.095 16.639 1.00 0.00 H new ATOM 0 HB THR A 32 -3.709 -4.017 16.730 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.117 -3.343 15.145 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.589 -4.405 18.273 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.196 -3.624 19.058 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.629 -2.661 18.627 1.00 0.00 H new ATOM 474 N ASP A 33 -1.805 -2.244 18.573 1.00 0.00 N ATOM 475 CA ASP A 33 -1.119 -2.067 19.843 1.00 0.00 C ATOM 476 C ASP A 33 -0.482 -0.687 19.933 1.00 0.00 C ATOM 477 O ASP A 33 -0.382 -0.103 21.012 1.00 0.00 O ATOM 478 CB ASP A 33 -0.053 -3.149 20.030 1.00 0.00 C ATOM 479 CG ASP A 33 -0.652 -4.537 20.136 1.00 0.00 C ATOM 480 OD1 ASP A 33 -1.870 -4.642 20.392 1.00 0.00 O ATOM 481 OD2 ASP A 33 0.098 -5.522 19.964 1.00 0.00 O ATOM 0 H ASP A 33 -1.323 -2.861 17.919 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.859 -2.156 20.639 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.642 -3.119 19.191 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.524 -2.935 20.930 1.00 0.00 H new ATOM 486 N GLY A 34 -0.047 -0.179 18.791 1.00 0.00 N ATOM 487 CA GLY A 34 0.584 1.124 18.747 1.00 0.00 C ATOM 488 C GLY A 34 2.053 1.054 19.095 1.00 0.00 C ATOM 489 O GLY A 34 2.641 2.032 19.558 1.00 0.00 O ATOM 0 H GLY A 34 -0.120 -0.648 17.888 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.467 1.550 17.750 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.079 1.795 19.441 1.00 0.00 H new ATOM 493 N ASP A 35 2.649 -0.111 18.869 1.00 0.00 N ATOM 494 CA ASP A 35 4.062 -0.318 19.159 1.00 0.00 C ATOM 495 C ASP A 35 4.873 -0.451 17.874 1.00 0.00 C ATOM 496 O ASP A 35 6.088 -0.254 17.874 1.00 0.00 O ATOM 497 CB ASP A 35 4.248 -1.563 20.028 1.00 0.00 C ATOM 498 CG ASP A 35 3.636 -1.405 21.405 1.00 0.00 C ATOM 499 OD1 ASP A 35 3.354 -0.255 21.802 1.00 0.00 O ATOM 500 OD2 ASP A 35 3.441 -2.432 22.089 1.00 0.00 O ATOM 0 H ASP A 35 2.174 -0.928 18.485 1.00 0.00 H new ATOM 0 HA ASP A 35 4.425 0.554 19.703 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.797 -2.421 19.530 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.312 -1.776 20.129 1.00 0.00 H new ATOM 505 N LYS A 36 4.196 -0.782 16.780 1.00 0.00 N ATOM 506 CA LYS A 36 4.857 -0.938 15.491 1.00 0.00 C ATOM 507 C LYS A 36 4.182 -0.074 14.431 1.00 0.00 C ATOM 508 O LYS A 36 2.966 -0.129 14.253 1.00 0.00 O ATOM 509 CB LYS A 36 4.843 -2.407 15.059 1.00 0.00 C ATOM 510 CG LYS A 36 6.183 -3.101 15.234 1.00 0.00 C ATOM 511 CD LYS A 36 6.123 -4.551 14.782 1.00 0.00 C ATOM 512 CE LYS A 36 7.436 -5.271 15.043 1.00 0.00 C ATOM 513 NZ LYS A 36 7.592 -5.644 16.476 1.00 0.00 N ATOM 0 H LYS A 36 3.190 -0.947 16.761 1.00 0.00 H new ATOM 0 HA LYS A 36 5.892 -0.612 15.597 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.088 -2.940 15.636 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.545 -2.467 14.012 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.945 -2.572 14.662 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.482 -3.057 16.281 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.316 -5.063 15.306 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.890 -4.592 13.718 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.486 -6.169 14.427 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.266 -4.632 14.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.500 -6.133 16.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.570 -4.785 17.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.814 -6.275 16.757 1.00 0.00 H new ATOM 527 N VAL A 37 4.982 0.722 13.732 1.00 0.00 N ATOM 528 CA VAL A 37 4.462 1.599 12.691 1.00 0.00 C ATOM 529 C VAL A 37 5.189 1.376 11.371 1.00 0.00 C ATOM 530 O VAL A 37 6.409 1.523 11.290 1.00 0.00 O ATOM 531 CB VAL A 37 4.588 3.081 13.091 1.00 0.00 C ATOM 532 CG1 VAL A 37 3.873 3.969 12.086 1.00 0.00 C ATOM 533 CG2 VAL A 37 4.043 3.304 14.494 1.00 0.00 C ATOM 0 H VAL A 37 5.991 0.778 13.867 1.00 0.00 H new ATOM 0 HA VAL A 37 3.407 1.353 12.567 1.00 0.00 H new ATOM 0 HB VAL A 37 5.644 3.349 13.090 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.973 5.012 12.386 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.315 3.831 11.099 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.817 3.702 12.051 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.141 4.357 14.759 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.992 3.018 14.526 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.606 2.698 15.204 1.00 0.00 H new ATOM 543 N HIS A 38 4.430 1.025 10.338 1.00 0.00 N ATOM 544 CA HIS A 38 5.004 0.784 9.017 1.00 0.00 C ATOM 545 C HIS A 38 4.626 1.890 8.047 1.00 0.00 C ATOM 546 O HIS A 38 3.512 2.404 8.072 1.00 0.00 O ATOM 547 CB HIS A 38 4.554 -0.558 8.456 1.00 0.00 C ATOM 548 CG HIS A 38 5.134 -0.874 7.111 1.00 0.00 C ATOM 549 ND1 HIS A 38 5.966 -1.950 6.883 1.00 0.00 N ATOM 550 CD2 HIS A 38 4.991 -0.251 5.918 1.00 0.00 C ATOM 551 CE1 HIS A 38 6.311 -1.974 5.606 1.00 0.00 C ATOM 552 NE2 HIS A 38 5.733 -0.953 5.000 1.00 0.00 N ATOM 0 H HIS A 38 3.419 0.901 10.389 1.00 0.00 H new ATOM 0 HA HIS A 38 6.087 0.770 9.135 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.832 -1.346 9.156 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.466 -0.565 8.384 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.403 0.634 5.724 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.955 -2.704 5.139 1.00 0.00 H new ATOM 0 HE2 HIS A 38 5.823 -0.723 4.010 1.00 0.00 H new ATOM 561 N THR A 39 5.565 2.245 7.193 1.00 0.00 N ATOM 562 CA THR A 39 5.343 3.291 6.201 1.00 0.00 C ATOM 563 C THR A 39 5.397 2.717 4.788 1.00 0.00 C ATOM 564 O THR A 39 6.316 1.976 4.442 1.00 0.00 O ATOM 565 CB THR A 39 6.381 4.402 6.357 1.00 0.00 C ATOM 566 OG1 THR A 39 6.525 4.765 7.717 1.00 0.00 O ATOM 567 CG2 THR A 39 6.037 5.654 5.580 1.00 0.00 C ATOM 0 H THR A 39 6.494 1.826 7.162 1.00 0.00 H new ATOM 0 HA THR A 39 4.351 3.711 6.366 1.00 0.00 H new ATOM 0 HB THR A 39 7.308 3.990 5.959 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.195 5.476 7.797 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.814 6.403 5.734 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.968 5.416 4.519 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.081 6.046 5.927 1.00 0.00 H new ATOM 575 N VAL A 40 4.401 3.064 3.978 1.00 0.00 N ATOM 576 CA VAL A 40 4.329 2.581 2.604 1.00 0.00 C ATOM 577 C VAL A 40 4.447 3.731 1.610 1.00 0.00 C ATOM 578 O VAL A 40 3.903 4.813 1.832 1.00 0.00 O ATOM 579 CB VAL A 40 3.011 1.828 2.345 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.018 1.188 0.965 1.00 0.00 C ATOM 581 CG2 VAL A 40 2.772 0.783 3.423 1.00 0.00 C ATOM 0 H VAL A 40 3.633 3.678 4.250 1.00 0.00 H new ATOM 0 HA VAL A 40 5.166 1.897 2.464 1.00 0.00 H new ATOM 0 HB VAL A 40 2.193 2.548 2.380 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.077 0.661 0.803 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.136 1.961 0.206 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.846 0.482 0.896 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.836 0.261 3.223 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.594 0.067 3.424 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.715 1.271 4.396 1.00 0.00 H new ATOM 591 N VAL A 41 5.153 3.488 0.511 1.00 0.00 N ATOM 592 CA VAL A 41 5.335 4.501 -0.518 1.00 0.00 C ATOM 593 C VAL A 41 4.296 4.343 -1.624 1.00 0.00 C ATOM 594 O VAL A 41 4.216 3.300 -2.270 1.00 0.00 O ATOM 595 CB VAL A 41 6.743 4.430 -1.137 1.00 0.00 C ATOM 596 CG1 VAL A 41 6.978 5.607 -2.072 1.00 0.00 C ATOM 597 CG2 VAL A 41 7.803 4.388 -0.047 1.00 0.00 C ATOM 0 H VAL A 41 5.608 2.597 0.311 1.00 0.00 H new ATOM 0 HA VAL A 41 5.211 5.471 -0.036 1.00 0.00 H new ATOM 0 HB VAL A 41 6.816 3.512 -1.721 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.979 5.538 -2.499 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.239 5.588 -2.873 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.885 6.539 -1.514 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.792 4.338 -0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.731 5.287 0.566 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.647 3.509 0.579 1.00 0.00 H new ATOM 607 N LEU A 42 3.496 5.383 -1.829 1.00 0.00 N ATOM 608 CA LEU A 42 2.455 5.361 -2.850 1.00 0.00 C ATOM 609 C LEU A 42 3.007 5.744 -4.223 1.00 0.00 C ATOM 610 O LEU A 42 2.335 5.571 -5.239 1.00 0.00 O ATOM 611 CB LEU A 42 1.316 6.305 -2.462 1.00 0.00 C ATOM 612 CG LEU A 42 0.825 6.168 -1.019 1.00 0.00 C ATOM 613 CD1 LEU A 42 -0.390 7.053 -0.783 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.498 4.715 -0.700 1.00 0.00 C ATOM 0 H LEU A 42 3.549 6.254 -1.301 1.00 0.00 H new ATOM 0 HA LEU A 42 2.074 4.342 -2.914 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.645 7.332 -2.622 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.475 6.131 -3.134 1.00 0.00 H new ATOM 0 HG LEU A 42 1.623 6.494 -0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.726 6.943 0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.124 8.094 -0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.192 6.757 -1.459 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.151 4.638 0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.283 4.361 -1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.392 4.104 -0.828 1.00 0.00 H new ATOM 626 N SER A 43 4.233 6.263 -4.250 1.00 0.00 N ATOM 627 CA SER A 43 4.862 6.665 -5.501 1.00 0.00 C ATOM 628 C SER A 43 5.461 5.461 -6.219 1.00 0.00 C ATOM 629 O SER A 43 5.623 5.473 -7.440 1.00 0.00 O ATOM 630 CB SER A 43 5.951 7.706 -5.235 1.00 0.00 C ATOM 631 OG SER A 43 6.314 8.380 -6.428 1.00 0.00 O ATOM 0 H SER A 43 4.807 6.414 -3.421 1.00 0.00 H new ATOM 0 HA SER A 43 4.096 7.104 -6.140 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.597 8.428 -4.499 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.827 7.219 -4.807 1.00 0.00 H new ATOM 0 HG SER A 43 5.506 8.609 -6.933 1.00 0.00 H new ATOM 637 N THR A 44 5.788 4.423 -5.456 1.00 0.00 N ATOM 638 CA THR A 44 6.369 3.215 -6.026 1.00 0.00 C ATOM 639 C THR A 44 5.295 2.165 -6.305 1.00 0.00 C ATOM 640 O THR A 44 5.594 0.977 -6.422 1.00 0.00 O ATOM 641 CB THR A 44 7.429 2.640 -5.085 1.00 0.00 C ATOM 642 OG1 THR A 44 8.116 1.565 -5.702 1.00 0.00 O ATOM 643 CG2 THR A 44 6.859 2.132 -3.779 1.00 0.00 C ATOM 0 H THR A 44 5.661 4.395 -4.444 1.00 0.00 H new ATOM 0 HA THR A 44 6.839 3.484 -6.972 1.00 0.00 H new ATOM 0 HB THR A 44 8.104 3.468 -4.869 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.477 1.006 -6.192 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.664 1.738 -3.159 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.365 2.950 -3.255 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.136 1.341 -3.981 1.00 0.00 H new ATOM 651 N ILE A 45 4.046 2.609 -6.411 1.00 0.00 N ATOM 652 CA ILE A 45 2.935 1.703 -6.676 1.00 0.00 C ATOM 653 C ILE A 45 2.596 1.671 -8.161 1.00 0.00 C ATOM 654 O ILE A 45 1.917 2.561 -8.674 1.00 0.00 O ATOM 655 CB ILE A 45 1.678 2.109 -5.882 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.027 2.324 -4.409 1.00 0.00 C ATOM 657 CG2 ILE A 45 0.594 1.052 -6.028 1.00 0.00 C ATOM 658 CD1 ILE A 45 2.653 1.112 -3.753 1.00 0.00 C ATOM 0 H ILE A 45 3.779 3.589 -6.318 1.00 0.00 H new ATOM 0 HA ILE A 45 3.252 0.710 -6.357 1.00 0.00 H new ATOM 0 HB ILE A 45 1.298 3.047 -6.286 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.713 3.167 -4.326 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.122 2.595 -3.865 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.287 1.354 -5.461 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.330 0.945 -7.080 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.961 0.099 -5.647 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.874 1.337 -2.710 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.960 0.272 -3.804 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.576 0.853 -4.272 1.00 0.00 H new ATOM 670 N ASP A 46 3.068 0.635 -8.845 1.00 0.00 N ATOM 671 CA ASP A 46 2.813 0.481 -10.271 1.00 0.00 C ATOM 672 C ASP A 46 1.315 0.416 -10.549 1.00 0.00 C ATOM 673 O ASP A 46 0.859 0.780 -11.632 1.00 0.00 O ATOM 674 CB ASP A 46 3.496 -0.782 -10.800 1.00 0.00 C ATOM 675 CG ASP A 46 3.882 -0.661 -12.261 1.00 0.00 C ATOM 676 OD1 ASP A 46 4.878 0.032 -12.557 1.00 0.00 O ATOM 677 OD2 ASP A 46 3.190 -1.261 -13.110 1.00 0.00 O ATOM 0 H ASP A 46 3.630 -0.111 -8.434 1.00 0.00 H new ATOM 0 HA ASP A 46 3.224 1.350 -10.785 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.388 -0.985 -10.207 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.828 -1.634 -10.673 1.00 0.00 H new ATOM 682 N LYS A 47 0.554 -0.052 -9.563 1.00 0.00 N ATOM 683 CA LYS A 47 -0.893 -0.165 -9.705 1.00 0.00 C ATOM 684 C LYS A 47 -1.531 -0.649 -8.406 1.00 0.00 C ATOM 685 O LYS A 47 -0.849 -1.170 -7.524 1.00 0.00 O ATOM 686 CB LYS A 47 -1.240 -1.123 -10.847 1.00 0.00 C ATOM 687 CG LYS A 47 -1.849 -0.433 -12.057 1.00 0.00 C ATOM 688 CD LYS A 47 -2.002 -1.391 -13.226 1.00 0.00 C ATOM 689 CE LYS A 47 -2.952 -2.530 -12.892 1.00 0.00 C ATOM 690 NZ LYS A 47 -3.054 -3.513 -14.006 1.00 0.00 N ATOM 0 H LYS A 47 0.915 -0.358 -8.660 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.290 0.824 -9.936 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.337 -1.649 -11.156 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.937 -1.876 -10.479 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.823 -0.023 -11.791 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.220 0.407 -12.353 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.374 -0.849 -14.096 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.027 -1.796 -13.496 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.608 -3.037 -11.991 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.940 -2.126 -12.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.711 -4.274 -13.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.407 -3.035 -14.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.116 -3.918 -14.199 1.00 0.00 H new ATOM 704 N LEU A 48 -2.844 -0.475 -8.297 1.00 0.00 N ATOM 705 CA LEU A 48 -3.575 -0.896 -7.109 1.00 0.00 C ATOM 706 C LEU A 48 -4.348 -2.184 -7.375 1.00 0.00 C ATOM 707 O LEU A 48 -4.952 -2.348 -8.435 1.00 0.00 O ATOM 708 CB LEU A 48 -4.538 0.204 -6.657 1.00 0.00 C ATOM 709 CG LEU A 48 -3.937 1.240 -5.706 1.00 0.00 C ATOM 710 CD1 LEU A 48 -3.507 2.481 -6.473 1.00 0.00 C ATOM 711 CD2 LEU A 48 -4.933 1.605 -4.613 1.00 0.00 C ATOM 0 H LEU A 48 -3.423 -0.045 -9.018 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.851 -1.083 -6.316 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.916 0.720 -7.540 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.394 -0.262 -6.169 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.056 0.804 -5.235 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.082 3.207 -5.781 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.759 2.208 -7.217 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.372 2.918 -6.972 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.487 2.343 -3.946 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.833 2.021 -5.065 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.192 0.712 -4.044 1.00 0.00 H new ATOM 723 N GLN A 49 -4.326 -3.093 -6.407 1.00 0.00 N ATOM 724 CA GLN A 49 -5.028 -4.365 -6.538 1.00 0.00 C ATOM 725 C GLN A 49 -5.946 -4.602 -5.344 1.00 0.00 C ATOM 726 O GLN A 49 -5.576 -4.335 -4.200 1.00 0.00 O ATOM 727 CB GLN A 49 -4.025 -5.514 -6.662 1.00 0.00 C ATOM 728 CG GLN A 49 -4.507 -6.651 -7.544 1.00 0.00 C ATOM 729 CD GLN A 49 -4.111 -6.470 -8.997 1.00 0.00 C ATOM 730 OE1 GLN A 49 -2.933 -6.552 -9.346 1.00 0.00 O ATOM 731 NE2 GLN A 49 -5.095 -6.220 -9.852 1.00 0.00 N ATOM 0 H GLN A 49 -3.830 -2.973 -5.524 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.637 -4.326 -7.441 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.089 -5.126 -7.064 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.808 -5.904 -5.668 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.098 -7.591 -7.174 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.592 -6.726 -7.474 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.057 -6.161 -9.519 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.889 -6.087 -10.842 1.00 0.00 H new ATOM 740 N ALA A 50 -7.147 -5.104 -5.616 1.00 0.00 N ATOM 741 CA ALA A 50 -8.117 -5.376 -4.562 1.00 0.00 C ATOM 742 C ALA A 50 -8.817 -6.711 -4.790 1.00 0.00 C ATOM 743 O ALA A 50 -8.912 -7.190 -5.920 1.00 0.00 O ATOM 744 CB ALA A 50 -9.137 -4.249 -4.483 1.00 0.00 C ATOM 0 H ALA A 50 -7.471 -5.330 -6.556 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.581 -5.435 -3.615 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.856 -4.464 -3.692 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.627 -3.311 -4.264 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.660 -4.164 -5.436 1.00 0.00 H new ATOM 750 N THR A 51 -9.306 -7.307 -3.708 1.00 0.00 N ATOM 751 CA THR A 51 -9.998 -8.588 -3.789 1.00 0.00 C ATOM 752 C THR A 51 -11.359 -8.432 -4.463 1.00 0.00 C ATOM 753 O THR A 51 -11.975 -7.367 -4.400 1.00 0.00 O ATOM 754 CB THR A 51 -10.175 -9.185 -2.390 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.431 -8.166 -1.440 1.00 0.00 O ATOM 756 CG2 THR A 51 -8.968 -9.963 -1.915 1.00 0.00 C ATOM 0 H THR A 51 -9.236 -6.924 -2.765 1.00 0.00 H new ATOM 0 HA THR A 51 -9.390 -9.263 -4.392 1.00 0.00 H new ATOM 0 HB THR A 51 -11.019 -9.870 -2.472 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.360 -8.228 -1.136 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.160 -10.359 -0.918 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.773 -10.787 -2.601 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.100 -9.304 -1.883 1.00 0.00 H new ATOM 764 N PRO A 52 -11.849 -9.497 -5.121 1.00 0.00 N ATOM 765 CA PRO A 52 -13.145 -9.473 -5.809 1.00 0.00 C ATOM 766 C PRO A 52 -14.316 -9.372 -4.838 1.00 0.00 C ATOM 767 O PRO A 52 -14.227 -9.815 -3.693 1.00 0.00 O ATOM 768 CB PRO A 52 -13.180 -10.813 -6.552 1.00 0.00 C ATOM 769 CG PRO A 52 -12.265 -11.699 -5.781 1.00 0.00 C ATOM 770 CD PRO A 52 -11.181 -10.806 -5.244 1.00 0.00 C ATOM 0 HA PRO A 52 -13.242 -8.606 -6.462 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -14.190 -11.221 -6.585 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.847 -10.702 -7.584 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.796 -12.199 -4.971 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.848 -12.479 -6.418 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.808 -11.159 -4.283 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.327 -10.760 -5.919 1.00 0.00 H new ATOM 778 N ALA A 53 -15.414 -8.785 -5.304 1.00 0.00 N ATOM 779 CA ALA A 53 -16.606 -8.626 -4.478 1.00 0.00 C ATOM 780 C ALA A 53 -17.230 -9.975 -4.131 1.00 0.00 C ATOM 781 O ALA A 53 -18.056 -10.070 -3.224 1.00 0.00 O ATOM 782 CB ALA A 53 -17.621 -7.740 -5.185 1.00 0.00 C ATOM 0 H ALA A 53 -15.503 -8.412 -6.249 1.00 0.00 H new ATOM 0 HA ALA A 53 -16.305 -8.149 -3.545 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -18.506 -7.629 -4.558 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -17.182 -6.760 -5.370 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -17.903 -8.196 -6.134 1.00 0.00 H new ATOM 788 N SER A 54 -16.831 -11.018 -4.855 1.00 0.00 N ATOM 789 CA SER A 54 -17.356 -12.359 -4.617 1.00 0.00 C ATOM 790 C SER A 54 -16.511 -13.113 -3.590 1.00 0.00 C ATOM 791 O SER A 54 -16.805 -14.262 -3.258 1.00 0.00 O ATOM 792 CB SER A 54 -17.403 -13.146 -5.926 1.00 0.00 C ATOM 793 OG SER A 54 -18.349 -12.591 -6.823 1.00 0.00 O ATOM 0 H SER A 54 -16.147 -10.960 -5.610 1.00 0.00 H new ATOM 0 HA SER A 54 -18.365 -12.257 -4.219 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.416 -13.147 -6.389 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.659 -14.185 -5.720 1.00 0.00 H new ATOM 0 HG SER A 54 -18.358 -13.112 -7.653 1.00 0.00 H new ATOM 799 N SER A 55 -15.464 -12.463 -3.088 1.00 0.00 N ATOM 800 CA SER A 55 -14.587 -13.074 -2.100 1.00 0.00 C ATOM 801 C SER A 55 -14.817 -12.463 -0.727 1.00 0.00 C ATOM 802 O SER A 55 -14.530 -11.288 -0.502 1.00 0.00 O ATOM 803 CB SER A 55 -13.123 -12.901 -2.510 1.00 0.00 C ATOM 804 OG SER A 55 -12.750 -13.858 -3.486 1.00 0.00 O ATOM 0 H SER A 55 -15.204 -11.512 -3.351 1.00 0.00 H new ATOM 0 HA SER A 55 -14.818 -14.138 -2.050 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.969 -11.896 -2.904 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.482 -13.002 -1.634 1.00 0.00 H new ATOM 0 HG SER A 55 -11.811 -13.725 -3.732 1.00 0.00 H new ATOM 810 N GLU A 56 -15.331 -13.272 0.193 1.00 0.00 N ATOM 811 CA GLU A 56 -15.592 -12.812 1.551 1.00 0.00 C ATOM 812 C GLU A 56 -14.315 -12.286 2.199 1.00 0.00 C ATOM 813 O GLU A 56 -14.364 -11.548 3.182 1.00 0.00 O ATOM 814 CB GLU A 56 -16.176 -13.948 2.392 1.00 0.00 C ATOM 815 CG GLU A 56 -17.532 -14.433 1.905 1.00 0.00 C ATOM 816 CD GLU A 56 -18.584 -13.341 1.930 1.00 0.00 C ATOM 817 OE1 GLU A 56 -18.370 -12.325 2.624 1.00 0.00 O ATOM 818 OE2 GLU A 56 -19.622 -13.502 1.253 1.00 0.00 O ATOM 0 H GLU A 56 -15.575 -14.248 0.023 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.315 -11.998 1.502 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.478 -14.785 2.390 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.269 -13.613 3.425 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -17.434 -14.815 0.889 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.862 -15.265 2.528 1.00 0.00 H new ATOM 825 N LYS A 57 -13.172 -12.673 1.640 1.00 0.00 N ATOM 826 CA LYS A 57 -11.882 -12.239 2.163 1.00 0.00 C ATOM 827 C LYS A 57 -11.499 -10.873 1.604 1.00 0.00 C ATOM 828 O LYS A 57 -11.231 -10.731 0.411 1.00 0.00 O ATOM 829 CB LYS A 57 -10.798 -13.264 1.822 1.00 0.00 C ATOM 830 CG LYS A 57 -11.004 -14.613 2.489 1.00 0.00 C ATOM 831 CD LYS A 57 -9.841 -15.553 2.218 1.00 0.00 C ATOM 832 CE LYS A 57 -10.099 -16.937 2.792 1.00 0.00 C ATOM 833 NZ LYS A 57 -8.864 -17.537 3.371 1.00 0.00 N ATOM 0 H LYS A 57 -13.114 -13.285 0.826 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.967 -12.157 3.247 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.769 -13.403 0.741 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.828 -12.866 2.118 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.118 -14.475 3.564 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.928 -15.062 2.126 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.675 -15.629 1.143 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.930 -15.141 2.653 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.867 -16.873 3.563 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.486 -17.589 2.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.082 -18.480 3.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.139 -17.622 2.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.508 -16.929 4.136 1.00 0.00 H new ATOM 847 N MET A 58 -11.480 -9.867 2.474 1.00 0.00 N ATOM 848 CA MET A 58 -11.132 -8.511 2.068 1.00 0.00 C ATOM 849 C MET A 58 -9.627 -8.284 2.162 1.00 0.00 C ATOM 850 O MET A 58 -9.047 -8.344 3.246 1.00 0.00 O ATOM 851 CB MET A 58 -11.867 -7.492 2.939 1.00 0.00 C ATOM 852 CG MET A 58 -13.359 -7.423 2.663 1.00 0.00 C ATOM 853 SD MET A 58 -14.241 -6.402 3.860 1.00 0.00 S ATOM 854 CE MET A 58 -13.882 -7.277 5.381 1.00 0.00 C ATOM 0 H MET A 58 -11.702 -9.966 3.465 1.00 0.00 H new ATOM 0 HA MET A 58 -11.437 -8.380 1.030 1.00 0.00 H new ATOM 0 HB2 MET A 58 -11.711 -7.743 3.988 1.00 0.00 H new ATOM 0 HB3 MET A 58 -11.430 -6.506 2.779 1.00 0.00 H new ATOM 0 HG2 MET A 58 -13.521 -7.024 1.662 1.00 0.00 H new ATOM 0 HG3 MET A 58 -13.774 -8.431 2.676 1.00 0.00 H new ATOM 0 HE1 MET A 58 -14.626 -7.017 6.134 1.00 0.00 H new ATOM 0 HE2 MET A 58 -13.910 -8.351 5.198 1.00 0.00 H new ATOM 0 HE3 MET A 58 -12.891 -6.996 5.737 1.00 0.00 H new ATOM 864 N MET A 59 -8.999 -8.027 1.019 1.00 0.00 N ATOM 865 CA MET A 59 -7.561 -7.795 0.975 1.00 0.00 C ATOM 866 C MET A 59 -7.190 -6.871 -0.181 1.00 0.00 C ATOM 867 O MET A 59 -7.651 -7.057 -1.309 1.00 0.00 O ATOM 868 CB MET A 59 -6.815 -9.123 0.838 1.00 0.00 C ATOM 869 CG MET A 59 -7.059 -10.079 1.993 1.00 0.00 C ATOM 870 SD MET A 59 -6.028 -11.556 1.902 1.00 0.00 S ATOM 871 CE MET A 59 -4.432 -10.882 2.359 1.00 0.00 C ATOM 0 H MET A 59 -9.463 -7.974 0.112 1.00 0.00 H new ATOM 0 HA MET A 59 -7.269 -7.313 1.908 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.116 -9.605 -0.092 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.746 -8.924 0.762 1.00 0.00 H new ATOM 0 HG2 MET A 59 -6.866 -9.563 2.934 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.109 -10.373 2.001 1.00 0.00 H new ATOM 0 HE1 MET A 59 -3.689 -11.679 2.366 1.00 0.00 H new ATOM 0 HE2 MET A 59 -4.139 -10.119 1.638 1.00 0.00 H new ATOM 0 HE3 MET A 59 -4.496 -10.437 3.352 1.00 0.00 H new ATOM 881 N LEU A 60 -6.350 -5.881 0.102 1.00 0.00 N ATOM 882 CA LEU A 60 -5.912 -4.936 -0.918 1.00 0.00 C ATOM 883 C LEU A 60 -4.412 -5.066 -1.159 1.00 0.00 C ATOM 884 O LEU A 60 -3.604 -4.760 -0.283 1.00 0.00 O ATOM 885 CB LEU A 60 -6.251 -3.504 -0.497 1.00 0.00 C ATOM 886 CG LEU A 60 -6.030 -2.443 -1.577 1.00 0.00 C ATOM 887 CD1 LEU A 60 -7.177 -2.454 -2.578 1.00 0.00 C ATOM 888 CD2 LEU A 60 -5.884 -1.066 -0.947 1.00 0.00 C ATOM 0 H LEU A 60 -5.959 -5.712 1.029 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.437 -5.166 -1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.295 -3.471 -0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.649 -3.245 0.374 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.108 -2.678 -2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.003 -1.693 -3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.237 -3.434 -3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.113 -2.243 -2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.727 -0.323 -1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.789 -0.822 -0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.030 -1.065 -0.269 1.00 0.00 H new ATOM 900 N ARG A 61 -4.049 -5.528 -2.351 1.00 0.00 N ATOM 901 CA ARG A 61 -2.645 -5.706 -2.703 1.00 0.00 C ATOM 902 C ARG A 61 -2.162 -4.584 -3.614 1.00 0.00 C ATOM 903 O ARG A 61 -2.843 -4.204 -4.567 1.00 0.00 O ATOM 904 CB ARG A 61 -2.437 -7.059 -3.386 1.00 0.00 C ATOM 905 CG ARG A 61 -0.975 -7.417 -3.599 1.00 0.00 C ATOM 906 CD ARG A 61 -0.827 -8.663 -4.456 1.00 0.00 C ATOM 907 NE ARG A 61 -1.617 -9.778 -3.940 1.00 0.00 N ATOM 908 CZ ARG A 61 -1.968 -10.838 -4.666 1.00 0.00 C ATOM 909 NH1 ARG A 61 -1.598 -10.933 -5.937 1.00 0.00 N ATOM 910 NH2 ARG A 61 -2.690 -11.806 -4.120 1.00 0.00 N ATOM 0 H ARG A 61 -4.706 -5.785 -3.088 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.061 -5.676 -1.783 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.908 -7.836 -2.784 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.944 -7.051 -4.351 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.461 -6.583 -4.076 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.494 -7.578 -2.634 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.138 -8.440 -5.477 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.223 -8.952 -4.498 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.918 -9.743 -2.966 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.042 -10.192 -6.363 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.870 -11.747 -6.488 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.977 -11.739 -3.143 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.959 -12.618 -4.676 1.00 0.00 H new ATOM 924 N LEU A 62 -0.980 -4.058 -3.314 1.00 0.00 N ATOM 925 CA LEU A 62 -0.399 -2.979 -4.104 1.00 0.00 C ATOM 926 C LEU A 62 0.830 -3.467 -4.863 1.00 0.00 C ATOM 927 O LEU A 62 1.739 -4.057 -4.280 1.00 0.00 O ATOM 928 CB LEU A 62 -0.029 -1.799 -3.202 1.00 0.00 C ATOM 929 CG LEU A 62 -0.874 -0.541 -3.407 1.00 0.00 C ATOM 930 CD1 LEU A 62 -2.329 -0.813 -3.053 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.327 0.609 -2.575 1.00 0.00 C ATOM 0 H LEU A 62 -0.405 -4.362 -2.528 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.142 -2.648 -4.829 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.119 -2.114 -2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.018 -1.547 -3.370 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.824 -0.259 -4.459 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.916 0.093 -3.205 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.716 -1.607 -3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.398 -1.120 -2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.940 1.496 -2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.348 0.337 -1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.699 0.819 -2.875 1.00 0.00 H new ATOM 943 N ILE A 63 0.850 -3.219 -6.168 1.00 0.00 N ATOM 944 CA ILE A 63 1.966 -3.635 -7.008 1.00 0.00 C ATOM 945 C ILE A 63 3.071 -2.586 -7.017 1.00 0.00 C ATOM 946 O ILE A 63 2.822 -1.411 -7.285 1.00 0.00 O ATOM 947 CB ILE A 63 1.518 -3.896 -8.461 1.00 0.00 C ATOM 948 CG1 ILE A 63 0.192 -4.660 -8.489 1.00 0.00 C ATOM 949 CG2 ILE A 63 2.594 -4.665 -9.214 1.00 0.00 C ATOM 950 CD1 ILE A 63 0.196 -5.922 -7.654 1.00 0.00 C ATOM 0 H ILE A 63 0.106 -2.732 -6.667 1.00 0.00 H new ATOM 0 HA ILE A 63 2.347 -4.562 -6.580 1.00 0.00 H new ATOM 0 HB ILE A 63 1.367 -2.936 -8.954 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.602 -4.003 -8.134 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.046 -4.919 -9.521 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.265 -4.843 -10.238 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.516 -4.084 -9.225 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.772 -5.620 -8.719 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.777 -6.408 -7.724 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.967 -6.599 -8.022 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.401 -5.669 -6.614 1.00 0.00 H new ATOM 962 N GLY A 64 4.294 -3.019 -6.725 1.00 0.00 N ATOM 963 CA GLY A 64 5.419 -2.104 -6.708 1.00 0.00 C ATOM 964 C GLY A 64 5.912 -1.771 -8.101 1.00 0.00 C ATOM 965 O GLY A 64 5.741 -2.559 -9.033 1.00 0.00 O ATOM 0 H GLY A 64 4.525 -3.987 -6.500 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.129 -1.185 -6.199 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.233 -2.544 -6.133 1.00 0.00 H new ATOM 1311 N ARG A 86 5.294 -6.481 -4.246 1.00 0.00 N ATOM 1312 CA ARG A 86 3.867 -6.271 -4.032 1.00 0.00 C ATOM 1313 C ARG A 86 3.521 -6.306 -2.547 1.00 0.00 C ATOM 1314 O ARG A 86 3.977 -7.181 -1.813 1.00 0.00 O ATOM 1315 CB ARG A 86 3.059 -7.333 -4.779 1.00 0.00 C ATOM 1316 CG ARG A 86 3.218 -7.265 -6.290 1.00 0.00 C ATOM 1317 CD ARG A 86 3.459 -8.643 -6.890 1.00 0.00 C ATOM 1318 NE ARG A 86 2.421 -9.595 -6.506 1.00 0.00 N ATOM 1319 CZ ARG A 86 2.561 -10.917 -6.589 1.00 0.00 C ATOM 1320 NH1 ARG A 86 3.692 -11.444 -7.042 1.00 0.00 N ATOM 1321 NH2 ARG A 86 1.568 -11.713 -6.219 1.00 0.00 N ATOM 0 HA ARG A 86 3.611 -5.285 -4.419 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.365 -8.321 -4.434 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.005 -7.220 -4.527 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.323 -6.827 -6.731 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.051 -6.608 -6.540 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.495 -8.564 -7.977 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.431 -9.015 -6.565 1.00 0.00 H new ATOM 0 HE ARG A 86 1.538 -9.227 -6.154 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.459 -10.836 -7.329 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.794 -12.457 -7.103 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.697 -11.313 -5.871 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.675 -12.725 -6.283 1.00 0.00 H new ATOM 1335 N HIS A 87 2.706 -5.348 -2.116 1.00 0.00 N ATOM 1336 CA HIS A 87 2.289 -5.268 -0.721 1.00 0.00 C ATOM 1337 C HIS A 87 0.842 -5.726 -0.568 1.00 0.00 C ATOM 1338 O HIS A 87 -0.083 -5.041 -1.002 1.00 0.00 O ATOM 1339 CB HIS A 87 2.442 -3.838 -0.201 1.00 0.00 C ATOM 1340 CG HIS A 87 3.837 -3.496 0.219 1.00 0.00 C ATOM 1341 ND1 HIS A 87 4.188 -3.236 1.527 1.00 0.00 N ATOM 1342 CD2 HIS A 87 4.976 -3.374 -0.506 1.00 0.00 C ATOM 1343 CE1 HIS A 87 5.480 -2.967 1.589 1.00 0.00 C ATOM 1344 NE2 HIS A 87 5.981 -3.044 0.370 1.00 0.00 N ATOM 0 H HIS A 87 2.321 -4.616 -2.713 1.00 0.00 H new ATOM 0 HA HIS A 87 2.928 -5.927 -0.134 1.00 0.00 H new ATOM 0 HB2 HIS A 87 2.125 -3.143 -0.978 1.00 0.00 H new ATOM 0 HB3 HIS A 87 1.772 -3.695 0.647 1.00 0.00 H new ATOM 0 HD2 HIS A 87 5.075 -3.511 -1.573 1.00 0.00 H new ATOM 0 HE1 HIS A 87 6.033 -2.725 2.485 1.00 0.00 H new ATOM 0 HE2 HIS A 87 6.957 -2.884 0.119 1.00 0.00 H new ATOM 1353 N MET A 88 0.655 -6.889 0.047 1.00 0.00 N ATOM 1354 CA MET A 88 -0.682 -7.435 0.250 1.00 0.00 C ATOM 1355 C MET A 88 -1.222 -7.065 1.627 1.00 0.00 C ATOM 1356 O MET A 88 -0.559 -7.275 2.643 1.00 0.00 O ATOM 1357 CB MET A 88 -0.660 -8.958 0.092 1.00 0.00 C ATOM 1358 CG MET A 88 -2.044 -9.579 -0.001 1.00 0.00 C ATOM 1359 SD MET A 88 -2.008 -11.376 0.132 1.00 0.00 S ATOM 1360 CE MET A 88 -0.891 -11.793 -1.204 1.00 0.00 C ATOM 0 H MET A 88 1.410 -7.470 0.412 1.00 0.00 H new ATOM 0 HA MET A 88 -1.341 -7.004 -0.504 1.00 0.00 H new ATOM 0 HB2 MET A 88 -0.095 -9.214 -0.804 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.131 -9.395 0.938 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.674 -9.172 0.790 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.501 -9.298 -0.950 1.00 0.00 H new ATOM 0 HE1 MET A 88 -1.308 -12.616 -1.784 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.757 -10.926 -1.850 1.00 0.00 H new ATOM 0 HE3 MET A 88 0.073 -12.091 -0.792 1.00 0.00 H new ATOM 1370 N PHE A 89 -2.428 -6.507 1.652 1.00 0.00 N ATOM 1371 CA PHE A 89 -3.057 -6.102 2.904 1.00 0.00 C ATOM 1372 C PHE A 89 -4.369 -6.845 3.129 1.00 0.00 C ATOM 1373 O PHE A 89 -4.941 -7.416 2.201 1.00 0.00 O ATOM 1374 CB PHE A 89 -3.313 -4.596 2.904 1.00 0.00 C ATOM 1375 CG PHE A 89 -2.058 -3.780 2.993 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -1.511 -3.466 4.225 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -1.426 -3.329 1.847 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -0.353 -2.715 4.313 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -0.270 -2.579 1.926 1.00 0.00 C ATOM 1380 CZ PHE A 89 0.269 -2.270 3.161 1.00 0.00 C ATOM 0 H PHE A 89 -2.989 -6.325 0.820 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.375 -6.354 3.716 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.850 -4.326 1.995 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.961 -4.345 3.743 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.994 -3.811 5.127 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.842 -3.567 0.879 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.065 -2.476 5.280 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.213 -2.234 1.024 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.173 -1.683 3.226 1.00 0.00 H new ATOM 1390 N SER A 90 -4.843 -6.823 4.370 1.00 0.00 N ATOM 1391 CA SER A 90 -6.092 -7.485 4.727 1.00 0.00 C ATOM 1392 C SER A 90 -7.024 -6.512 5.444 1.00 0.00 C ATOM 1393 O SER A 90 -6.659 -5.932 6.466 1.00 0.00 O ATOM 1394 CB SER A 90 -5.820 -8.703 5.613 1.00 0.00 C ATOM 1395 OG SER A 90 -6.456 -9.861 5.100 1.00 0.00 O ATOM 0 H SER A 90 -4.380 -6.352 5.147 1.00 0.00 H new ATOM 0 HA SER A 90 -6.575 -7.822 3.810 1.00 0.00 H new ATOM 0 HB2 SER A 90 -4.746 -8.874 5.681 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.176 -8.507 6.625 1.00 0.00 H new ATOM 0 HG SER A 90 -6.265 -10.625 5.683 1.00 0.00 H new ATOM 1401 N PHE A 91 -8.219 -6.324 4.894 1.00 0.00 N ATOM 1402 CA PHE A 91 -9.186 -5.408 5.477 1.00 0.00 C ATOM 1403 C PHE A 91 -10.287 -6.145 6.220 1.00 0.00 C ATOM 1404 O PHE A 91 -10.658 -7.264 5.864 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.806 -4.539 4.387 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.956 -3.366 4.019 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.912 -3.507 3.123 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -9.199 -2.124 4.576 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.120 -2.428 2.786 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -8.412 -1.037 4.244 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.370 -1.190 3.347 1.00 0.00 C ATOM 0 H PHE A 91 -8.538 -6.794 4.047 1.00 0.00 H new ATOM 0 HA PHE A 91 -8.653 -4.784 6.194 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.979 -5.148 3.500 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.780 -4.183 4.724 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.714 -4.473 2.682 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -10.011 -2.002 5.277 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.307 -2.551 2.086 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.610 -0.071 4.684 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.753 -0.343 3.086 1.00 0.00 H new ATOM 1421 N ASN A 92 -10.820 -5.491 7.242 1.00 0.00 N ATOM 1422 CA ASN A 92 -11.900 -6.055 8.032 1.00 0.00 C ATOM 1423 C ASN A 92 -13.206 -5.325 7.733 1.00 0.00 C ATOM 1424 O ASN A 92 -14.201 -5.504 8.436 1.00 0.00 O ATOM 1425 CB ASN A 92 -11.575 -5.961 9.524 1.00 0.00 C ATOM 1426 CG ASN A 92 -10.363 -6.787 9.905 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -9.960 -7.694 9.176 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -9.773 -6.478 11.054 1.00 0.00 N ATOM 0 H ASN A 92 -10.519 -4.564 7.543 1.00 0.00 H new ATOM 0 HA ASN A 92 -12.013 -7.106 7.766 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -11.399 -4.919 9.790 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -12.436 -6.296 10.102 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.953 -7.000 11.363 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -10.140 -5.719 11.628 1.00 0.00 H new ATOM 1435 N ASN A 93 -13.198 -4.496 6.686 1.00 0.00 N ATOM 1436 CA ASN A 93 -14.385 -3.744 6.306 1.00 0.00 C ATOM 1437 C ASN A 93 -14.345 -3.350 4.834 1.00 0.00 C ATOM 1438 O ASN A 93 -13.358 -2.791 4.356 1.00 0.00 O ATOM 1439 CB ASN A 93 -14.526 -2.496 7.179 1.00 0.00 C ATOM 1440 CG ASN A 93 -15.909 -1.880 7.088 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -16.769 -2.365 6.352 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -16.128 -0.806 7.836 1.00 0.00 N ATOM 0 H ASN A 93 -12.385 -4.333 6.092 1.00 0.00 H new ATOM 0 HA ASN A 93 -15.251 -4.388 6.461 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -14.314 -2.756 8.216 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -13.782 -1.759 6.877 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -17.039 -0.348 7.816 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -15.385 -0.439 8.431 1.00 0.00 H new ATOM 1449 N ARG A 94 -15.430 -3.641 4.122 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.525 -3.314 2.705 1.00 0.00 C ATOM 1451 C ARG A 94 -15.573 -1.804 2.502 1.00 0.00 C ATOM 1452 O ARG A 94 -15.162 -1.293 1.460 1.00 0.00 O ATOM 1453 CB ARG A 94 -16.765 -3.966 2.087 1.00 0.00 C ATOM 1454 CG ARG A 94 -16.713 -5.486 2.081 1.00 0.00 C ATOM 1455 CD ARG A 94 -17.871 -6.079 1.295 1.00 0.00 C ATOM 1456 NE ARG A 94 -17.977 -7.523 1.483 1.00 0.00 N ATOM 1457 CZ ARG A 94 -19.001 -8.255 1.050 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -20.009 -7.681 0.404 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -19.018 -9.563 1.264 1.00 0.00 N ATOM 0 H ARG A 94 -16.255 -4.103 4.504 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.637 -3.703 2.207 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.648 -3.643 2.638 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -16.880 -3.610 1.063 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -15.770 -5.817 1.647 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -16.740 -5.856 3.106 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -18.801 -5.604 1.606 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -17.740 -5.860 0.235 1.00 0.00 H new ATOM 0 HE ARG A 94 -17.221 -7.999 1.975 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -20.001 -6.675 0.237 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -20.791 -8.246 0.074 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.246 -10.009 1.760 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.803 -10.124 0.932 1.00 0.00 H new ATOM 1473 N THR A 95 -16.069 -1.091 3.506 1.00 0.00 N ATOM 1474 CA THR A 95 -16.159 0.352 3.439 1.00 0.00 C ATOM 1475 C THR A 95 -14.785 0.964 3.662 1.00 0.00 C ATOM 1476 O THR A 95 -14.366 1.871 2.943 1.00 0.00 O ATOM 1477 CB THR A 95 -17.165 0.856 4.481 1.00 0.00 C ATOM 1478 OG1 THR A 95 -18.424 1.103 3.881 1.00 0.00 O ATOM 1479 CG2 THR A 95 -16.738 2.123 5.185 1.00 0.00 C ATOM 0 H THR A 95 -16.415 -1.495 4.376 1.00 0.00 H new ATOM 0 HA THR A 95 -16.510 0.653 2.452 1.00 0.00 H new ATOM 0 HB THR A 95 -17.223 0.059 5.223 1.00 0.00 H new ATOM 0 HG1 THR A 95 -19.053 1.422 4.561 1.00 0.00 H new ATOM 0 HG21 THR A 95 -17.502 2.414 5.906 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.796 1.950 5.705 1.00 0.00 H new ATOM 0 HG23 THR A 95 -16.607 2.920 4.453 1.00 0.00 H new ATOM 1487 N VAL A 96 -14.093 0.446 4.660 1.00 0.00 N ATOM 1488 CA VAL A 96 -12.759 0.918 4.991 1.00 0.00 C ATOM 1489 C VAL A 96 -11.770 0.546 3.897 1.00 0.00 C ATOM 1490 O VAL A 96 -10.813 1.273 3.635 1.00 0.00 O ATOM 1491 CB VAL A 96 -12.269 0.346 6.338 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -10.877 0.866 6.671 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -13.250 0.685 7.451 1.00 0.00 C ATOM 0 H VAL A 96 -14.434 -0.306 5.259 1.00 0.00 H new ATOM 0 HA VAL A 96 -12.816 2.003 5.077 1.00 0.00 H new ATOM 0 HB VAL A 96 -12.213 -0.739 6.248 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.552 0.450 7.624 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.180 0.567 5.888 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.902 1.954 6.739 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.888 0.273 8.393 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.341 1.768 7.539 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -14.225 0.257 7.219 1.00 0.00 H new ATOM 1503 N MET A 97 -12.012 -0.589 3.256 1.00 0.00 N ATOM 1504 CA MET A 97 -11.142 -1.052 2.182 1.00 0.00 C ATOM 1505 C MET A 97 -11.394 -0.257 0.905 1.00 0.00 C ATOM 1506 O MET A 97 -10.472 0.000 0.130 1.00 0.00 O ATOM 1507 CB MET A 97 -11.338 -2.555 1.937 1.00 0.00 C ATOM 1508 CG MET A 97 -12.455 -2.890 0.960 1.00 0.00 C ATOM 1509 SD MET A 97 -12.650 -4.664 0.710 1.00 0.00 S ATOM 1510 CE MET A 97 -11.064 -5.082 -0.007 1.00 0.00 C ATOM 0 H MET A 97 -12.800 -1.204 3.459 1.00 0.00 H new ATOM 0 HA MET A 97 -10.108 -0.889 2.484 1.00 0.00 H new ATOM 0 HB2 MET A 97 -10.405 -2.975 1.561 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.546 -3.042 2.890 1.00 0.00 H new ATOM 0 HG2 MET A 97 -13.392 -2.474 1.329 1.00 0.00 H new ATOM 0 HG3 MET A 97 -12.250 -2.412 0.002 1.00 0.00 H new ATOM 0 HE1 MET A 97 -11.206 -5.809 -0.807 1.00 0.00 H new ATOM 0 HE2 MET A 97 -10.600 -4.183 -0.412 1.00 0.00 H new ATOM 0 HE3 MET A 97 -10.419 -5.509 0.761 1.00 0.00 H new ATOM 1520 N ASP A 98 -12.648 0.132 0.692 1.00 0.00 N ATOM 1521 CA ASP A 98 -13.016 0.898 -0.487 1.00 0.00 C ATOM 1522 C ASP A 98 -12.651 2.369 -0.319 1.00 0.00 C ATOM 1523 O ASP A 98 -12.406 3.073 -1.298 1.00 0.00 O ATOM 1524 CB ASP A 98 -14.512 0.757 -0.770 1.00 0.00 C ATOM 1525 CG ASP A 98 -14.892 -0.650 -1.191 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -13.983 -1.429 -1.547 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -16.099 -0.971 -1.165 1.00 0.00 O ATOM 0 H ASP A 98 -13.424 -0.072 1.322 1.00 0.00 H new ATOM 0 HA ASP A 98 -12.457 0.501 -1.334 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.075 1.031 0.122 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -14.798 1.458 -1.555 1.00 0.00 H new ATOM 1532 N ASN A 99 -12.615 2.822 0.927 1.00 0.00 N ATOM 1533 CA ASN A 99 -12.280 4.209 1.224 1.00 0.00 C ATOM 1534 C ASN A 99 -10.804 4.477 0.967 1.00 0.00 C ATOM 1535 O ASN A 99 -10.418 5.584 0.591 1.00 0.00 O ATOM 1536 CB ASN A 99 -12.629 4.543 2.675 1.00 0.00 C ATOM 1537 CG ASN A 99 -14.126 4.599 2.912 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -14.914 4.658 1.969 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -14.525 4.583 4.179 1.00 0.00 N ATOM 0 H ASN A 99 -12.813 2.250 1.748 1.00 0.00 H new ATOM 0 HA ASN A 99 -12.867 4.848 0.564 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.188 3.795 3.333 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -12.186 5.503 2.941 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -15.520 4.620 4.401 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.836 4.533 4.930 1.00 0.00 H new ATOM 1546 N ILE A 100 -9.987 3.453 1.169 1.00 0.00 N ATOM 1547 CA ILE A 100 -8.549 3.565 0.959 1.00 0.00 C ATOM 1548 C ILE A 100 -8.193 3.321 -0.504 1.00 0.00 C ATOM 1549 O ILE A 100 -7.425 4.075 -1.100 1.00 0.00 O ATOM 1550 CB ILE A 100 -7.773 2.570 1.844 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.126 2.782 3.319 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -6.273 2.714 1.625 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.618 4.092 3.883 1.00 0.00 C ATOM 0 H ILE A 100 -10.296 2.532 1.479 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.262 4.579 1.236 1.00 0.00 H new ATOM 0 HB ILE A 100 -8.062 1.558 1.562 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.209 2.743 3.434 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.713 1.960 3.904 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.743 2.003 2.259 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.037 2.514 0.580 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.964 3.728 1.880 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.906 4.173 4.931 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.532 4.127 3.801 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -8.051 4.921 3.323 1.00 0.00 H new ATOM 1565 N LYS A 101 -8.757 2.263 -1.076 1.00 0.00 N ATOM 1566 CA LYS A 101 -8.499 1.919 -2.470 1.00 0.00 C ATOM 1567 C LYS A 101 -8.904 3.064 -3.393 1.00 0.00 C ATOM 1568 O LYS A 101 -8.221 3.353 -4.376 1.00 0.00 O ATOM 1569 CB LYS A 101 -9.256 0.647 -2.854 1.00 0.00 C ATOM 1570 CG LYS A 101 -8.969 0.172 -4.268 1.00 0.00 C ATOM 1571 CD LYS A 101 -9.755 -1.085 -4.605 1.00 0.00 C ATOM 1572 CE LYS A 101 -11.239 -0.789 -4.755 1.00 0.00 C ATOM 1573 NZ LYS A 101 -11.524 0.014 -5.976 1.00 0.00 N ATOM 0 H LYS A 101 -9.396 1.629 -0.596 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.429 1.743 -2.583 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.996 -0.146 -2.153 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.326 0.826 -2.750 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.222 0.961 -4.976 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.902 -0.025 -4.377 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.374 -1.517 -5.530 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.608 -1.828 -3.822 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.794 -1.726 -4.799 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.593 -0.251 -3.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.547 0.009 -6.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.203 0.993 -5.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.021 -0.398 -6.788 1.00 0.00 H new ATOM 1587 N MET A 102 -10.020 3.708 -3.073 1.00 0.00 N ATOM 1588 CA MET A 102 -10.518 4.819 -3.875 1.00 0.00 C ATOM 1589 C MET A 102 -9.631 6.043 -3.717 1.00 0.00 C ATOM 1590 O MET A 102 -9.371 6.767 -4.679 1.00 0.00 O ATOM 1591 CB MET A 102 -11.958 5.155 -3.481 1.00 0.00 C ATOM 1592 CG MET A 102 -12.556 6.309 -4.268 1.00 0.00 C ATOM 1593 SD MET A 102 -13.276 5.783 -5.835 1.00 0.00 S ATOM 1594 CE MET A 102 -14.956 5.417 -5.331 1.00 0.00 C ATOM 0 H MET A 102 -10.597 3.480 -2.264 1.00 0.00 H new ATOM 0 HA MET A 102 -10.500 4.517 -4.922 1.00 0.00 H new ATOM 0 HB2 MET A 102 -12.579 4.271 -3.622 1.00 0.00 H new ATOM 0 HB3 MET A 102 -11.987 5.398 -2.419 1.00 0.00 H new ATOM 0 HG2 MET A 102 -13.323 6.795 -3.665 1.00 0.00 H new ATOM 0 HG3 MET A 102 -11.782 7.052 -4.460 1.00 0.00 H new ATOM 0 HE1 MET A 102 -15.529 5.078 -6.194 1.00 0.00 H new ATOM 0 HE2 MET A 102 -14.946 4.635 -4.572 1.00 0.00 H new ATOM 0 HE3 MET A 102 -15.416 6.315 -4.920 1.00 0.00 H new ATOM 1604 N THR A 103 -9.167 6.266 -2.499 1.00 0.00 N ATOM 1605 CA THR A 103 -8.303 7.395 -2.206 1.00 0.00 C ATOM 1606 C THR A 103 -6.881 7.114 -2.682 1.00 0.00 C ATOM 1607 O THR A 103 -6.114 8.036 -2.960 1.00 0.00 O ATOM 1608 CB THR A 103 -8.338 7.712 -0.704 1.00 0.00 C ATOM 1609 OG1 THR A 103 -9.167 8.830 -0.450 1.00 0.00 O ATOM 1610 CG2 THR A 103 -6.981 8.005 -0.098 1.00 0.00 C ATOM 0 H THR A 103 -9.376 5.676 -1.694 1.00 0.00 H new ATOM 0 HA THR A 103 -8.667 8.270 -2.744 1.00 0.00 H new ATOM 0 HB THR A 103 -8.726 6.806 -0.239 1.00 0.00 H new ATOM 0 HG1 THR A 103 -9.179 9.017 0.512 1.00 0.00 H new ATOM 0 HG21 THR A 103 -7.096 8.219 0.965 1.00 0.00 H new ATOM 0 HG22 THR A 103 -6.331 7.140 -0.226 1.00 0.00 H new ATOM 0 HG23 THR A 103 -6.539 8.868 -0.596 1.00 0.00 H new ATOM 1618 N LEU A 104 -6.538 5.836 -2.788 1.00 0.00 N ATOM 1619 CA LEU A 104 -5.216 5.445 -3.249 1.00 0.00 C ATOM 1620 C LEU A 104 -5.155 5.510 -4.769 1.00 0.00 C ATOM 1621 O LEU A 104 -4.099 5.762 -5.344 1.00 0.00 O ATOM 1622 CB LEU A 104 -4.872 4.035 -2.766 1.00 0.00 C ATOM 1623 CG LEU A 104 -4.441 3.940 -1.302 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -4.157 2.495 -0.921 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -3.218 4.809 -1.050 1.00 0.00 C ATOM 0 H LEU A 104 -7.156 5.057 -2.561 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.484 6.138 -2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.741 3.394 -2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.072 3.638 -3.391 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.257 4.305 -0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.852 2.448 0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.057 1.897 -1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.358 2.103 -1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -2.925 4.730 -0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.397 4.474 -1.683 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.455 5.847 -1.283 1.00 0.00 H new ATOM 1637 N GLN A 105 -6.299 5.287 -5.413 1.00 0.00 N ATOM 1638 CA GLN A 105 -6.377 5.326 -6.867 1.00 0.00 C ATOM 1639 C GLN A 105 -6.241 6.751 -7.377 1.00 0.00 C ATOM 1640 O GLN A 105 -5.641 6.991 -8.425 1.00 0.00 O ATOM 1641 CB GLN A 105 -7.694 4.718 -7.351 1.00 0.00 C ATOM 1642 CG GLN A 105 -7.752 3.204 -7.220 1.00 0.00 C ATOM 1643 CD GLN A 105 -7.132 2.493 -8.407 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -6.725 3.126 -9.381 1.00 0.00 O ATOM 1645 NE2 GLN A 105 -7.059 1.170 -8.331 1.00 0.00 N ATOM 0 H GLN A 105 -7.183 5.078 -4.949 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.551 4.736 -7.265 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.516 5.155 -6.784 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.848 4.990 -8.395 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -7.235 2.902 -6.309 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -8.791 2.891 -7.116 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -7.409 0.687 -7.504 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -6.653 0.637 -9.100 1.00 0.00 H new ATOM 1654 N GLN A 106 -6.790 7.695 -6.627 1.00 0.00 N ATOM 1655 CA GLN A 106 -6.714 9.096 -7.011 1.00 0.00 C ATOM 1656 C GLN A 106 -5.270 9.574 -6.955 1.00 0.00 C ATOM 1657 O GLN A 106 -4.824 10.336 -7.813 1.00 0.00 O ATOM 1658 CB GLN A 106 -7.596 9.963 -6.110 1.00 0.00 C ATOM 1659 CG GLN A 106 -7.361 9.743 -4.628 1.00 0.00 C ATOM 1660 CD GLN A 106 -8.120 10.730 -3.763 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -9.302 10.990 -3.989 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -7.443 11.287 -2.766 1.00 0.00 N ATOM 0 H GLN A 106 -7.289 7.518 -5.755 1.00 0.00 H new ATOM 0 HA GLN A 106 -7.082 9.191 -8.033 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.418 11.012 -6.345 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -8.642 9.759 -6.337 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -7.660 8.729 -4.363 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -6.295 9.826 -4.417 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -6.464 11.042 -2.615 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -7.902 11.959 -2.151 1.00 0.00 H new ATOM 1671 N ILE A 107 -4.538 9.100 -5.952 1.00 0.00 N ATOM 1672 CA ILE A 107 -3.136 9.462 -5.803 1.00 0.00 C ATOM 1673 C ILE A 107 -2.359 9.050 -7.049 1.00 0.00 C ATOM 1674 O ILE A 107 -1.543 9.808 -7.571 1.00 0.00 O ATOM 1675 CB ILE A 107 -2.518 8.794 -4.559 1.00 0.00 C ATOM 1676 CG1 ILE A 107 -3.233 9.270 -3.294 1.00 0.00 C ATOM 1677 CG2 ILE A 107 -1.027 9.087 -4.477 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -2.940 8.422 -2.076 1.00 0.00 C ATOM 0 H ILE A 107 -4.892 8.467 -5.234 1.00 0.00 H new ATOM 0 HA ILE A 107 -3.076 10.543 -5.676 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.646 7.715 -4.644 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -2.941 10.300 -3.088 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -4.308 9.273 -3.474 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.610 8.607 -3.592 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.531 8.701 -5.367 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -0.871 10.164 -4.413 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -3.481 8.819 -1.217 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -3.258 7.396 -2.262 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.870 8.439 -1.870 1.00 0.00 H new ATOM 1690 N ILE A 108 -2.643 7.843 -7.529 1.00 0.00 N ATOM 1691 CA ILE A 108 -2.001 7.318 -8.730 1.00 0.00 C ATOM 1692 C ILE A 108 -2.140 8.301 -9.872 1.00 0.00 C ATOM 1693 O ILE A 108 -1.168 8.680 -10.525 1.00 0.00 O ATOM 1694 CB ILE A 108 -2.641 5.988 -9.177 1.00 0.00 C ATOM 1695 CG1 ILE A 108 -2.899 5.070 -7.984 1.00 0.00 C ATOM 1696 CG2 ILE A 108 -1.768 5.304 -10.210 1.00 0.00 C ATOM 1697 CD1 ILE A 108 -1.732 4.958 -7.027 1.00 0.00 C ATOM 0 H ILE A 108 -3.317 7.207 -7.102 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.952 7.155 -8.484 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.605 6.211 -9.634 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.769 5.437 -7.438 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -3.150 4.075 -8.352 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -2.233 4.367 -10.516 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -1.655 5.953 -11.078 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -0.788 5.099 -9.780 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -1.996 4.289 -6.208 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.865 4.561 -7.555 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -1.493 5.944 -6.627 1.00 0.00 H new ATOM 1709 N SER A 109 -3.376 8.697 -10.098 1.00 0.00 N ATOM 1710 CA SER A 109 -3.710 9.639 -11.161 1.00 0.00 C ATOM 1711 C SER A 109 -2.892 10.919 -11.043 1.00 0.00 C ATOM 1712 O SER A 109 -2.579 11.563 -12.044 1.00 0.00 O ATOM 1713 CB SER A 109 -5.203 9.970 -11.129 1.00 0.00 C ATOM 1714 OG SER A 109 -5.573 10.770 -12.238 1.00 0.00 O ATOM 0 H SER A 109 -4.179 8.379 -9.555 1.00 0.00 H new ATOM 0 HA SER A 109 -3.468 9.166 -12.113 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.783 9.047 -11.133 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.443 10.493 -10.203 1.00 0.00 H new ATOM 0 HG SER A 109 -6.532 10.966 -12.194 1.00 0.00 H new ATOM 1720 N ARG A 110 -2.548 11.277 -9.816 1.00 0.00 N ATOM 1721 CA ARG A 110 -1.766 12.480 -9.564 1.00 0.00 C ATOM 1722 C ARG A 110 -0.329 12.299 -10.030 1.00 0.00 C ATOM 1723 O ARG A 110 0.319 13.251 -10.465 1.00 0.00 O ATOM 1724 CB ARG A 110 -1.796 12.843 -8.078 1.00 0.00 C ATOM 1725 CG ARG A 110 -3.184 13.193 -7.566 1.00 0.00 C ATOM 1726 CD ARG A 110 -3.149 13.601 -6.102 1.00 0.00 C ATOM 1727 NE ARG A 110 -2.474 14.881 -5.905 1.00 0.00 N ATOM 1728 CZ ARG A 110 -3.001 16.057 -6.246 1.00 0.00 C ATOM 1729 NH1 ARG A 110 -4.205 16.118 -6.798 1.00 0.00 N ATOM 1730 NH2 ARG A 110 -2.318 17.174 -6.032 1.00 0.00 N ATOM 0 H ARG A 110 -2.798 10.752 -8.978 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.214 13.296 -10.131 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -1.405 12.006 -7.500 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.130 13.688 -7.905 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -3.599 14.006 -8.162 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -3.846 12.336 -7.691 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -4.168 13.666 -5.720 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.640 12.830 -5.523 1.00 0.00 H new ATOM 0 HE ARG A 110 -1.546 14.875 -5.482 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -4.734 15.262 -6.964 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -4.602 17.021 -7.057 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -1.392 17.132 -5.607 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -2.719 18.075 -6.292 1.00 0.00 H new ATOM 1744 N TYR A 111 0.161 11.071 -9.941 1.00 0.00 N ATOM 1745 CA TYR A 111 1.522 10.762 -10.361 1.00 0.00 C ATOM 1746 C TYR A 111 1.643 10.820 -11.878 1.00 0.00 C ATOM 1747 O TYR A 111 2.710 11.115 -12.418 1.00 0.00 O ATOM 1748 CB TYR A 111 1.939 9.381 -9.851 1.00 0.00 C ATOM 1749 CG TYR A 111 2.372 9.381 -8.402 1.00 0.00 C ATOM 1750 CD1 TYR A 111 3.622 9.859 -8.030 1.00 0.00 C ATOM 1751 CD2 TYR A 111 1.529 8.901 -7.407 1.00 0.00 C ATOM 1752 CE1 TYR A 111 4.020 9.861 -6.707 1.00 0.00 C ATOM 1753 CE2 TYR A 111 1.921 8.900 -6.081 1.00 0.00 C ATOM 1754 CZ TYR A 111 3.167 9.380 -5.737 1.00 0.00 C ATOM 1755 OH TYR A 111 3.560 9.380 -4.419 1.00 0.00 O ATOM 0 H TYR A 111 -0.362 10.272 -9.582 1.00 0.00 H new ATOM 0 HA TYR A 111 2.189 11.510 -9.932 1.00 0.00 H new ATOM 0 HB2 TYR A 111 1.105 8.690 -9.973 1.00 0.00 H new ATOM 0 HB3 TYR A 111 2.757 9.006 -10.467 1.00 0.00 H new ATOM 0 HD1 TYR A 111 4.294 10.235 -8.787 1.00 0.00 H new ATOM 0 HD2 TYR A 111 0.553 8.523 -7.673 1.00 0.00 H new ATOM 0 HE1 TYR A 111 4.995 10.238 -6.434 1.00 0.00 H new ATOM 0 HE2 TYR A 111 1.254 8.525 -5.318 1.00 0.00 H new ATOM 0 HH TYR A 111 2.843 9.009 -3.864 1.00 0.00 H new ATOM 1765 N LYS A 112 0.539 10.543 -12.558 1.00 0.00 N ATOM 1766 CA LYS A 112 0.508 10.567 -14.013 1.00 0.00 C ATOM 1767 C LYS A 112 0.634 11.995 -14.533 1.00 0.00 C ATOM 1768 O LYS A 112 1.254 12.237 -15.569 1.00 0.00 O ATOM 1769 CB LYS A 112 -0.787 9.937 -14.527 1.00 0.00 C ATOM 1770 CG LYS A 112 -0.997 8.506 -14.057 1.00 0.00 C ATOM 1771 CD LYS A 112 0.126 7.594 -14.526 1.00 0.00 C ATOM 1772 CE LYS A 112 1.031 7.184 -13.376 1.00 0.00 C ATOM 1773 NZ LYS A 112 1.783 5.935 -13.678 1.00 0.00 N ATOM 0 H LYS A 112 -0.350 10.298 -12.123 1.00 0.00 H new ATOM 0 HA LYS A 112 1.355 9.988 -14.381 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.631 10.545 -14.201 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -0.783 9.956 -15.617 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -1.054 8.484 -12.969 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -1.950 8.134 -14.434 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -0.298 6.704 -14.991 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.714 8.103 -15.289 1.00 0.00 H new ATOM 0 HE2 LYS A 112 1.735 7.989 -13.163 1.00 0.00 H new ATOM 0 HE3 LYS A 112 0.432 7.039 -12.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 2.388 5.690 -12.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 1.112 5.160 -13.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 2.375 6.081 -14.521 1.00 0.00 H new ATOM 1787 N ASP A 113 0.044 12.939 -13.806 1.00 0.00 N ATOM 1788 CA ASP A 113 0.089 14.344 -14.194 1.00 0.00 C ATOM 1789 C ASP A 113 1.529 14.843 -14.260 1.00 0.00 C ATOM 1790 O ASP A 113 1.882 15.632 -15.136 1.00 0.00 O ATOM 1791 CB ASP A 113 -0.712 15.194 -13.206 1.00 0.00 C ATOM 1792 CG ASP A 113 -2.197 14.891 -13.252 1.00 0.00 C ATOM 1793 OD1 ASP A 113 -2.645 14.265 -14.236 1.00 0.00 O ATOM 1794 OD2 ASP A 113 -2.912 15.278 -12.304 1.00 0.00 O ATOM 0 H ASP A 113 -0.471 12.756 -12.945 1.00 0.00 H new ATOM 0 HA ASP A 113 -0.355 14.436 -15.185 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -0.340 15.020 -12.196 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.553 16.249 -13.427 1.00 0.00 H new ATOM 1799 N ALA A 114 2.354 14.378 -13.330 1.00 0.00 N ATOM 1800 CA ALA A 114 3.755 14.776 -13.283 1.00 0.00 C ATOM 1801 C ALA A 114 4.486 14.368 -14.558 1.00 0.00 C ATOM 1802 O ALA A 114 5.398 15.058 -15.011 1.00 0.00 O ATOM 1803 CB ALA A 114 4.437 14.171 -12.065 1.00 0.00 C ATOM 0 H ALA A 114 2.077 13.724 -12.598 1.00 0.00 H new ATOM 0 HA ALA A 114 3.794 15.862 -13.205 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.483 14.477 -12.044 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.939 14.518 -11.159 1.00 0.00 H new ATOM 0 HB3 ALA A 114 4.378 13.084 -12.118 1.00 0.00 H new ATOM 1809 N ASP A 115 4.079 13.239 -15.131 1.00 0.00 N ATOM 1810 CA ASP A 115 4.695 12.739 -16.354 1.00 0.00 C ATOM 1811 C ASP A 115 3.634 12.279 -17.348 1.00 0.00 C ATOM 1812 O ASP A 115 3.183 13.113 -18.160 1.00 0.00 O ATOM 1813 CB ASP A 115 5.646 11.585 -16.035 1.00 0.00 C ATOM 1814 CG ASP A 115 6.840 12.029 -15.212 1.00 0.00 C ATOM 1815 OD1 ASP A 115 7.103 13.248 -15.158 1.00 0.00 O ATOM 1816 OD2 ASP A 115 7.511 11.156 -14.621 1.00 0.00 O ATOM 1817 OXT ASP A 115 3.264 11.087 -17.308 1.00 0.00 O ATOM 0 H ASP A 115 3.326 12.654 -14.768 1.00 0.00 H new ATOM 0 HA ASP A 115 5.262 13.553 -16.806 1.00 0.00 H new ATOM 0 HB2 ASP A 115 5.103 10.810 -15.494 1.00 0.00 H new ATOM 0 HB3 ASP A 115 5.996 11.138 -16.966 1.00 0.00 H new