USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 704 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 178:sc= 0 (180deg=-0.00495) USER MOD Single : A 2 SER OG : rot 44:sc= 0.877 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.239 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.738 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 178:sc= 0.0532 (180deg=0.0528) USER MOD Single : A 21 CYS SG : rot 29:sc= 0.268 USER MOD Single : A 27 GLN : amide:sc= -0.338 K(o=-0.34,f=-0.98) USER MOD Single : A 32 GLN : amide:sc= -0.563 K(o=-0.56,f=-1.2) USER MOD Single : A 33 CYS SG : rot -15:sc= -0.778 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 1:sc= 1.26 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -5.71! C(o=-5.7!,f=-5.3!) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 43:sc= 0.0407 USER MOD Single : A 58 THR OG1 : rot 23:sc= 0.209 USER MOD Single : A 59 CYS SG : rot -140:sc= -1.11 USER MOD Single : A 67 HIS : no HD1:sc= -0.504 X(o=-0.5,f=-0.78) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 76 HIS : no HD1:sc= -3.47! C(o=-3.5!,f=-2.3!) USER MOD Single : A 78 THR OG1 : rot -76:sc= 0.347 USER MOD Single : A 79 TYR OH : rot -53:sc= -0.44 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.406 USER MOD Single : A 81 CYS SG : rot 102:sc= 0.924 USER MOD Single : A 85 ASN : amide:sc= -5.94! C(o=-5.9!,f=-23!) USER MOD Single : A 89 GLN : amide:sc= -4.81! C(o=-4.8!,f=-5.4!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 CYS SG : rot 25:sc= 0.0611 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= -1.34 X(o=-1.3,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 37.881 5.394 5.432 1.00 0.00 N ATOM 2 CA GLY A 1 36.867 6.269 4.874 1.00 0.00 C ATOM 3 C GLY A 1 36.061 5.598 3.779 1.00 0.00 C ATOM 4 O GLY A 1 35.825 6.186 2.724 1.00 0.00 O ATOM 0 H1 GLY A 1 38.426 5.910 6.152 1.00 0.00 H new ATOM 0 H2 GLY A 1 37.425 4.568 5.869 1.00 0.00 H new ATOM 0 H3 GLY A 1 38.520 5.076 4.675 1.00 0.00 H new ATOM 0 HA2 GLY A 1 36.195 6.594 5.668 1.00 0.00 H new ATOM 0 HA3 GLY A 1 37.344 7.164 4.474 1.00 0.00 H new ATOM 8 N SER A 2 35.640 4.362 4.029 1.00 0.00 N ATOM 9 CA SER A 2 34.861 3.608 3.054 1.00 0.00 C ATOM 10 C SER A 2 33.478 4.224 2.871 1.00 0.00 C ATOM 11 O SER A 2 32.578 4.010 3.683 1.00 0.00 O ATOM 12 CB SER A 2 34.728 2.149 3.495 1.00 0.00 C ATOM 13 OG SER A 2 34.072 2.053 4.748 1.00 0.00 O ATOM 0 H SER A 2 35.825 3.862 4.898 1.00 0.00 H new ATOM 0 HA SER A 2 35.385 3.645 2.099 1.00 0.00 H new ATOM 0 HB2 SER A 2 34.170 1.588 2.745 1.00 0.00 H new ATOM 0 HB3 SER A 2 35.716 1.695 3.563 1.00 0.00 H new ATOM 0 HG SER A 2 33.301 2.658 4.761 1.00 0.00 H new ATOM 19 N SER A 3 33.316 4.991 1.797 1.00 0.00 N ATOM 20 CA SER A 3 32.044 5.642 1.507 1.00 0.00 C ATOM 21 C SER A 3 30.875 4.713 1.817 1.00 0.00 C ATOM 22 O SER A 3 30.587 3.786 1.061 1.00 0.00 O ATOM 23 CB SER A 3 31.991 6.076 0.041 1.00 0.00 C ATOM 24 OG SER A 3 31.039 7.108 -0.152 1.00 0.00 O ATOM 0 H SER A 3 34.050 5.177 1.114 1.00 0.00 H new ATOM 0 HA SER A 3 31.963 6.524 2.142 1.00 0.00 H new ATOM 0 HB2 SER A 3 32.975 6.421 -0.275 1.00 0.00 H new ATOM 0 HB3 SER A 3 31.737 5.221 -0.586 1.00 0.00 H new ATOM 0 HG SER A 3 31.026 7.368 -1.097 1.00 0.00 H new ATOM 30 N GLY A 4 30.203 4.968 2.936 1.00 0.00 N ATOM 31 CA GLY A 4 29.073 4.147 3.327 1.00 0.00 C ATOM 32 C GLY A 4 28.126 4.871 4.263 1.00 0.00 C ATOM 33 O GLY A 4 27.635 5.954 3.944 1.00 0.00 O ATOM 0 H GLY A 4 30.422 5.729 3.579 1.00 0.00 H new ATOM 0 HA2 GLY A 4 28.529 3.835 2.435 1.00 0.00 H new ATOM 0 HA3 GLY A 4 29.437 3.241 3.812 1.00 0.00 H new ATOM 37 N SER A 5 27.866 4.271 5.420 1.00 0.00 N ATOM 38 CA SER A 5 26.967 4.864 6.403 1.00 0.00 C ATOM 39 C SER A 5 25.755 5.492 5.722 1.00 0.00 C ATOM 40 O SER A 5 25.315 6.580 6.093 1.00 0.00 O ATOM 41 CB SER A 5 27.704 5.918 7.230 1.00 0.00 C ATOM 42 OG SER A 5 28.258 6.923 6.399 1.00 0.00 O ATOM 0 H SER A 5 28.265 3.375 5.700 1.00 0.00 H new ATOM 0 HA SER A 5 26.620 4.071 7.065 1.00 0.00 H new ATOM 0 HB2 SER A 5 27.016 6.371 7.944 1.00 0.00 H new ATOM 0 HB3 SER A 5 28.496 5.442 7.808 1.00 0.00 H new ATOM 0 HG SER A 5 28.722 7.585 6.952 1.00 0.00 H new ATOM 48 N SER A 6 25.220 4.798 4.722 1.00 0.00 N ATOM 49 CA SER A 6 24.061 5.288 3.985 1.00 0.00 C ATOM 50 C SER A 6 22.906 4.295 4.067 1.00 0.00 C ATOM 51 O SER A 6 23.116 3.091 4.207 1.00 0.00 O ATOM 52 CB SER A 6 24.430 5.539 2.522 1.00 0.00 C ATOM 53 OG SER A 6 24.679 4.321 1.842 1.00 0.00 O ATOM 0 H SER A 6 25.571 3.895 4.404 1.00 0.00 H new ATOM 0 HA SER A 6 23.743 6.227 4.438 1.00 0.00 H new ATOM 0 HB2 SER A 6 23.621 6.077 2.027 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.314 6.175 2.471 1.00 0.00 H new ATOM 0 HG SER A 6 24.911 4.509 0.909 1.00 0.00 H new ATOM 59 N GLY A 7 21.683 4.811 3.978 1.00 0.00 N ATOM 60 CA GLY A 7 20.512 3.957 4.044 1.00 0.00 C ATOM 61 C GLY A 7 20.425 2.999 2.873 1.00 0.00 C ATOM 62 O GLY A 7 20.380 3.423 1.718 1.00 0.00 O ATOM 0 H GLY A 7 21.483 5.804 3.861 1.00 0.00 H new ATOM 0 HA2 GLY A 7 20.533 3.388 4.974 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.616 4.577 4.070 1.00 0.00 H new ATOM 66 N MET A 8 20.404 1.704 3.169 1.00 0.00 N ATOM 67 CA MET A 8 20.323 0.684 2.130 1.00 0.00 C ATOM 68 C MET A 8 18.872 0.306 1.852 1.00 0.00 C ATOM 69 O MET A 8 17.989 0.554 2.671 1.00 0.00 O ATOM 70 CB MET A 8 21.116 -0.558 2.543 1.00 0.00 C ATOM 71 CG MET A 8 20.478 -1.336 3.682 1.00 0.00 C ATOM 72 SD MET A 8 21.172 -2.990 3.869 1.00 0.00 S ATOM 73 CE MET A 8 19.680 -3.965 4.042 1.00 0.00 C ATOM 0 H MET A 8 20.442 1.336 4.120 1.00 0.00 H new ATOM 0 HA MET A 8 20.754 1.095 1.217 1.00 0.00 H new ATOM 0 HB2 MET A 8 21.222 -1.215 1.680 1.00 0.00 H new ATOM 0 HB3 MET A 8 22.121 -0.256 2.838 1.00 0.00 H new ATOM 0 HG2 MET A 8 20.610 -0.784 4.612 1.00 0.00 H new ATOM 0 HG3 MET A 8 19.405 -1.414 3.507 1.00 0.00 H new ATOM 0 HE1 MET A 8 19.944 -5.015 4.167 1.00 0.00 H new ATOM 0 HE2 MET A 8 19.122 -3.625 4.915 1.00 0.00 H new ATOM 0 HE3 MET A 8 19.064 -3.849 3.150 1.00 0.00 H new ATOM 83 N GLU A 9 18.634 -0.296 0.690 1.00 0.00 N ATOM 84 CA GLU A 9 17.289 -0.706 0.304 1.00 0.00 C ATOM 85 C GLU A 9 16.665 -1.598 1.374 1.00 0.00 C ATOM 86 O GLU A 9 17.331 -2.004 2.326 1.00 0.00 O ATOM 87 CB GLU A 9 17.322 -1.445 -1.035 1.00 0.00 C ATOM 88 CG GLU A 9 17.617 -0.542 -2.221 1.00 0.00 C ATOM 89 CD GLU A 9 17.859 -1.320 -3.500 1.00 0.00 C ATOM 90 OE1 GLU A 9 18.281 -2.492 -3.412 1.00 0.00 O ATOM 91 OE2 GLU A 9 17.625 -0.756 -4.590 1.00 0.00 O ATOM 0 H GLU A 9 19.355 -0.510 0.001 1.00 0.00 H new ATOM 0 HA GLU A 9 16.678 0.191 0.201 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.078 -2.229 -0.989 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.362 -1.936 -1.193 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.781 0.142 -2.369 1.00 0.00 H new ATOM 0 HG3 GLU A 9 18.493 0.068 -2.000 1.00 0.00 H new ATOM 98 N VAL A 10 15.380 -1.897 1.210 1.00 0.00 N ATOM 99 CA VAL A 10 14.664 -2.740 2.161 1.00 0.00 C ATOM 100 C VAL A 10 13.539 -3.507 1.476 1.00 0.00 C ATOM 101 O VAL A 10 13.218 -3.253 0.315 1.00 0.00 O ATOM 102 CB VAL A 10 14.076 -1.909 3.316 1.00 0.00 C ATOM 103 CG1 VAL A 10 15.128 -1.664 4.387 1.00 0.00 C ATOM 104 CG2 VAL A 10 13.517 -0.593 2.795 1.00 0.00 C ATOM 0 H VAL A 10 14.814 -1.568 0.428 1.00 0.00 H new ATOM 0 HA VAL A 10 15.388 -3.447 2.565 1.00 0.00 H new ATOM 0 HB VAL A 10 13.258 -2.472 3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 10 14.694 -1.075 5.195 1.00 0.00 H new ATOM 0 HG12 VAL A 10 15.476 -2.619 4.780 1.00 0.00 H new ATOM 0 HG13 VAL A 10 15.969 -1.122 3.954 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.105 -0.019 3.625 1.00 0.00 H new ATOM 0 HG22 VAL A 10 14.314 -0.022 2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.730 -0.794 2.068 1.00 0.00 H new ATOM 114 N ALA A 11 12.942 -4.445 2.203 1.00 0.00 N ATOM 115 CA ALA A 11 11.849 -5.248 1.667 1.00 0.00 C ATOM 116 C ALA A 11 10.496 -4.663 2.057 1.00 0.00 C ATOM 117 O ALA A 11 10.371 -3.917 3.029 1.00 0.00 O ATOM 118 CB ALA A 11 11.964 -6.686 2.150 1.00 0.00 C ATOM 0 H ALA A 11 13.197 -4.668 3.165 1.00 0.00 H new ATOM 0 HA ALA A 11 11.921 -5.235 0.579 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.142 -7.274 1.742 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.912 -7.107 1.816 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.921 -6.709 3.239 1.00 0.00 H new ATOM 124 N PRO A 12 9.456 -5.008 1.283 1.00 0.00 N ATOM 125 CA PRO A 12 8.093 -4.527 1.528 1.00 0.00 C ATOM 126 C PRO A 12 7.483 -5.134 2.786 1.00 0.00 C ATOM 127 O PRO A 12 7.624 -6.330 3.042 1.00 0.00 O ATOM 128 CB PRO A 12 7.326 -4.988 0.286 1.00 0.00 C ATOM 129 CG PRO A 12 8.089 -6.166 -0.215 1.00 0.00 C ATOM 130 CD PRO A 12 9.532 -5.893 0.108 1.00 0.00 C ATOM 0 HA PRO A 12 8.063 -3.449 1.689 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.299 -5.257 0.532 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.278 -4.199 -0.465 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.749 -7.084 0.264 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.947 -6.295 -1.288 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.075 -6.812 0.331 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.046 -5.413 -0.724 1.00 0.00 H new ATOM 138 N SER A 13 6.803 -4.302 3.569 1.00 0.00 N ATOM 139 CA SER A 13 6.174 -4.757 4.804 1.00 0.00 C ATOM 140 C SER A 13 4.961 -3.896 5.144 1.00 0.00 C ATOM 141 O SER A 13 4.982 -2.677 4.970 1.00 0.00 O ATOM 142 CB SER A 13 7.178 -4.720 5.957 1.00 0.00 C ATOM 143 OG SER A 13 7.731 -3.425 6.111 1.00 0.00 O ATOM 0 H SER A 13 6.674 -3.310 3.370 1.00 0.00 H new ATOM 0 HA SER A 13 5.840 -5.784 4.656 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.686 -5.021 6.882 1.00 0.00 H new ATOM 0 HB3 SER A 13 7.976 -5.440 5.772 1.00 0.00 H new ATOM 0 HG SER A 13 8.368 -3.428 6.856 1.00 0.00 H new ATOM 149 N PHE A 14 3.904 -4.539 5.629 1.00 0.00 N ATOM 150 CA PHE A 14 2.680 -3.834 5.993 1.00 0.00 C ATOM 151 C PHE A 14 2.664 -3.508 7.483 1.00 0.00 C ATOM 152 O PHE A 14 2.439 -4.383 8.319 1.00 0.00 O ATOM 153 CB PHE A 14 1.455 -4.675 5.630 1.00 0.00 C ATOM 154 CG PHE A 14 1.071 -4.581 4.180 1.00 0.00 C ATOM 155 CD1 PHE A 14 0.547 -3.407 3.664 1.00 0.00 C ATOM 156 CD2 PHE A 14 1.236 -5.665 3.334 1.00 0.00 C ATOM 157 CE1 PHE A 14 0.192 -3.318 2.331 1.00 0.00 C ATOM 158 CE2 PHE A 14 0.884 -5.582 2.000 1.00 0.00 C ATOM 159 CZ PHE A 14 0.362 -4.406 1.498 1.00 0.00 C ATOM 0 H PHE A 14 3.870 -5.547 5.779 1.00 0.00 H new ATOM 0 HA PHE A 14 2.648 -2.899 5.434 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.654 -5.718 5.878 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.611 -4.357 6.242 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.414 -2.552 4.310 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.645 -6.587 3.721 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.218 -2.398 1.941 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.017 -6.435 1.351 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.087 -4.338 0.456 1.00 0.00 H new ATOM 169 N SER A 15 2.903 -2.241 7.809 1.00 0.00 N ATOM 170 CA SER A 15 2.920 -1.799 9.198 1.00 0.00 C ATOM 171 C SER A 15 1.515 -1.821 9.792 1.00 0.00 C ATOM 172 O SER A 15 1.324 -2.202 10.947 1.00 0.00 O ATOM 173 CB SER A 15 3.507 -0.390 9.299 1.00 0.00 C ATOM 174 OG SER A 15 2.626 0.571 8.745 1.00 0.00 O ATOM 0 H SER A 15 3.087 -1.503 7.129 1.00 0.00 H new ATOM 0 HA SER A 15 3.546 -2.487 9.766 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.703 -0.148 10.344 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.464 -0.353 8.778 1.00 0.00 H new ATOM 0 HG SER A 15 3.024 1.463 8.824 1.00 0.00 H new ATOM 180 N SER A 16 0.535 -1.410 8.994 1.00 0.00 N ATOM 181 CA SER A 16 -0.852 -1.378 9.441 1.00 0.00 C ATOM 182 C SER A 16 -1.776 -1.979 8.386 1.00 0.00 C ATOM 183 O SER A 16 -2.414 -1.257 7.619 1.00 0.00 O ATOM 184 CB SER A 16 -1.278 0.059 9.750 1.00 0.00 C ATOM 185 OG SER A 16 -0.914 0.426 11.069 1.00 0.00 O ATOM 0 H SER A 16 0.676 -1.094 8.034 1.00 0.00 H new ATOM 0 HA SER A 16 -0.929 -1.975 10.350 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.813 0.741 9.038 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.357 0.156 9.627 1.00 0.00 H new ATOM 0 HG SER A 16 -1.196 1.349 11.241 1.00 0.00 H new ATOM 191 N VAL A 17 -1.843 -3.306 8.354 1.00 0.00 N ATOM 192 CA VAL A 17 -2.690 -4.006 7.395 1.00 0.00 C ATOM 193 C VAL A 17 -4.099 -3.425 7.380 1.00 0.00 C ATOM 194 O VAL A 17 -4.453 -2.603 8.227 1.00 0.00 O ATOM 195 CB VAL A 17 -2.769 -5.511 7.710 1.00 0.00 C ATOM 196 CG1 VAL A 17 -1.396 -6.155 7.594 1.00 0.00 C ATOM 197 CG2 VAL A 17 -3.356 -5.734 9.096 1.00 0.00 C ATOM 0 H VAL A 17 -1.321 -3.918 8.981 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.235 -3.872 6.414 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.427 -5.983 6.980 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.473 -7.218 7.820 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.018 -6.026 6.580 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.712 -5.682 8.299 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.405 -6.803 9.303 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.725 -5.249 9.841 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.359 -5.310 9.139 1.00 0.00 H new ATOM 207 N LEU A 18 -4.901 -3.858 6.414 1.00 0.00 N ATOM 208 CA LEU A 18 -6.274 -3.382 6.288 1.00 0.00 C ATOM 209 C LEU A 18 -7.182 -4.061 7.309 1.00 0.00 C ATOM 210 O LEU A 18 -6.830 -5.094 7.879 1.00 0.00 O ATOM 211 CB LEU A 18 -6.797 -3.640 4.874 1.00 0.00 C ATOM 212 CG LEU A 18 -5.963 -3.056 3.733 1.00 0.00 C ATOM 213 CD1 LEU A 18 -6.093 -3.913 2.483 1.00 0.00 C ATOM 214 CD2 LEU A 18 -6.384 -1.622 3.445 1.00 0.00 C ATOM 0 H LEU A 18 -4.624 -4.538 5.706 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.279 -2.309 6.481 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.873 -4.717 4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.807 -3.237 4.802 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.917 -3.052 4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.493 -3.482 1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.742 -4.923 2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.138 -3.950 2.174 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.780 -1.222 2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.436 -1.602 3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.238 -1.014 4.338 1.00 0.00 H new ATOM 226 N LYS A 19 -8.352 -3.475 7.535 1.00 0.00 N ATOM 227 CA LYS A 19 -9.313 -4.024 8.485 1.00 0.00 C ATOM 228 C LYS A 19 -10.707 -4.093 7.870 1.00 0.00 C ATOM 229 O LYS A 19 -10.977 -3.462 6.847 1.00 0.00 O ATOM 230 CB LYS A 19 -9.347 -3.173 9.757 1.00 0.00 C ATOM 231 CG LYS A 19 -8.090 -3.291 10.601 1.00 0.00 C ATOM 232 CD LYS A 19 -7.043 -2.269 10.189 1.00 0.00 C ATOM 233 CE LYS A 19 -5.932 -2.162 11.222 1.00 0.00 C ATOM 234 NZ LYS A 19 -5.007 -1.033 10.926 1.00 0.00 N ATOM 0 H LYS A 19 -8.659 -2.619 7.073 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.997 -5.035 8.740 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.493 -2.129 9.482 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.207 -3.467 10.358 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.342 -3.151 11.652 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.678 -4.295 10.503 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.619 -2.549 9.225 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.515 -1.295 10.059 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.368 -2.025 12.211 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.369 -3.095 11.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.284 -0.972 11.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.546 -1.194 10.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.545 -0.143 10.892 1.00 0.00 H new ATOM 248 N ASP A 20 -11.589 -4.862 8.499 1.00 0.00 N ATOM 249 CA ASP A 20 -12.956 -5.011 8.015 1.00 0.00 C ATOM 250 C ASP A 20 -13.766 -3.745 8.275 1.00 0.00 C ATOM 251 O ASP A 20 -13.640 -3.122 9.330 1.00 0.00 O ATOM 252 CB ASP A 20 -13.630 -6.209 8.686 1.00 0.00 C ATOM 253 CG ASP A 20 -12.799 -7.474 8.582 1.00 0.00 C ATOM 254 OD1 ASP A 20 -11.877 -7.648 9.406 1.00 0.00 O ATOM 255 OD2 ASP A 20 -13.073 -8.289 7.677 1.00 0.00 O ATOM 0 H ASP A 20 -11.381 -5.392 9.345 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.917 -5.181 6.939 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -13.809 -5.980 9.737 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -14.604 -6.379 8.227 1.00 0.00 H new ATOM 260 N CYS A 21 -14.596 -3.371 7.307 1.00 0.00 N ATOM 261 CA CYS A 21 -15.425 -2.177 7.431 1.00 0.00 C ATOM 262 C CYS A 21 -16.707 -2.320 6.617 1.00 0.00 C ATOM 263 O CYS A 21 -16.770 -3.105 5.672 1.00 0.00 O ATOM 264 CB CYS A 21 -14.649 -0.942 6.971 1.00 0.00 C ATOM 265 SG CYS A 21 -13.688 -0.145 8.278 1.00 0.00 S ATOM 0 H CYS A 21 -14.713 -3.877 6.429 1.00 0.00 H new ATOM 0 HA CYS A 21 -15.693 -2.057 8.481 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -13.976 -1.229 6.163 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -15.351 -0.218 6.558 1.00 0.00 H new ATOM 0 HG CYS A 21 -13.330 -1.034 9.157 1.00 0.00 H new ATOM 271 N ALA A 22 -17.728 -1.556 6.992 1.00 0.00 N ATOM 272 CA ALA A 22 -19.009 -1.597 6.298 1.00 0.00 C ATOM 273 C ALA A 22 -19.410 -0.211 5.804 1.00 0.00 C ATOM 274 O ALA A 22 -19.030 0.802 6.391 1.00 0.00 O ATOM 275 CB ALA A 22 -20.086 -2.167 7.209 1.00 0.00 C ATOM 0 H ALA A 22 -17.693 -0.901 7.773 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.903 -2.247 5.430 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -21.037 -2.191 6.677 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -19.812 -3.179 7.508 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -20.182 -1.540 8.095 1.00 0.00 H new ATOM 281 N VAL A 23 -20.180 -0.173 4.721 1.00 0.00 N ATOM 282 CA VAL A 23 -20.633 1.089 4.149 1.00 0.00 C ATOM 283 C VAL A 23 -22.068 0.980 3.646 1.00 0.00 C ATOM 284 O VAL A 23 -22.591 -0.120 3.463 1.00 0.00 O ATOM 285 CB VAL A 23 -19.726 1.536 2.987 1.00 0.00 C ATOM 286 CG1 VAL A 23 -19.949 0.656 1.766 1.00 0.00 C ATOM 287 CG2 VAL A 23 -19.972 2.999 2.652 1.00 0.00 C ATOM 0 H VAL A 23 -20.503 -1.002 4.222 1.00 0.00 H new ATOM 0 HA VAL A 23 -20.585 1.833 4.944 1.00 0.00 H new ATOM 0 HB VAL A 23 -18.687 1.428 3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -19.300 0.987 0.955 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -19.718 -0.379 2.017 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -20.990 0.729 1.450 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -19.323 3.298 1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -21.013 3.135 2.361 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -19.756 3.614 3.526 1.00 0.00 H new ATOM 297 N ILE A 24 -22.700 2.128 3.423 1.00 0.00 N ATOM 298 CA ILE A 24 -24.074 2.161 2.940 1.00 0.00 C ATOM 299 C ILE A 24 -24.120 2.339 1.426 1.00 0.00 C ATOM 300 O ILE A 24 -23.286 3.034 0.847 1.00 0.00 O ATOM 301 CB ILE A 24 -24.877 3.296 3.603 1.00 0.00 C ATOM 302 CG1 ILE A 24 -25.162 2.961 5.068 1.00 0.00 C ATOM 303 CG2 ILE A 24 -26.175 3.538 2.847 1.00 0.00 C ATOM 304 CD1 ILE A 24 -23.938 3.039 5.955 1.00 0.00 C ATOM 0 H ILE A 24 -22.282 3.047 3.569 1.00 0.00 H new ATOM 0 HA ILE A 24 -24.525 1.205 3.206 1.00 0.00 H new ATOM 0 HB ILE A 24 -24.283 4.209 3.568 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -25.920 3.646 5.448 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -25.581 1.956 5.128 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -26.731 4.343 3.328 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -25.950 3.817 1.818 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -26.775 2.628 2.854 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -24.214 2.789 6.979 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -23.186 2.334 5.600 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -23.531 4.050 5.925 1.00 0.00 H new ATOM 316 N GLU A 25 -25.102 1.706 0.791 1.00 0.00 N ATOM 317 CA GLU A 25 -25.257 1.795 -0.656 1.00 0.00 C ATOM 318 C GLU A 25 -25.404 3.248 -1.099 1.00 0.00 C ATOM 319 O GLU A 25 -26.378 3.917 -0.757 1.00 0.00 O ATOM 320 CB GLU A 25 -26.473 0.986 -1.112 1.00 0.00 C ATOM 321 CG GLU A 25 -26.384 0.514 -2.554 1.00 0.00 C ATOM 322 CD GLU A 25 -27.412 -0.551 -2.883 1.00 0.00 C ATOM 323 OE1 GLU A 25 -27.407 -1.607 -2.218 1.00 0.00 O ATOM 324 OE2 GLU A 25 -28.222 -0.328 -3.808 1.00 0.00 O ATOM 0 H GLU A 25 -25.801 1.127 1.256 1.00 0.00 H new ATOM 0 HA GLU A 25 -24.361 1.381 -1.118 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -26.587 0.119 -0.461 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -27.369 1.595 -0.992 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -26.522 1.365 -3.220 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -25.385 0.120 -2.743 1.00 0.00 H new ATOM 331 N GLY A 26 -24.428 3.730 -1.864 1.00 0.00 N ATOM 332 CA GLY A 26 -24.467 5.100 -2.341 1.00 0.00 C ATOM 333 C GLY A 26 -23.436 5.979 -1.661 1.00 0.00 C ATOM 334 O GLY A 26 -23.260 7.139 -2.033 1.00 0.00 O ATOM 0 H GLY A 26 -23.612 3.196 -2.161 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -24.297 5.112 -3.418 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -25.461 5.513 -2.171 1.00 0.00 H new ATOM 338 N GLN A 27 -22.755 5.427 -0.663 1.00 0.00 N ATOM 339 CA GLN A 27 -21.738 6.171 0.071 1.00 0.00 C ATOM 340 C GLN A 27 -20.355 5.938 -0.527 1.00 0.00 C ATOM 341 O GLN A 27 -20.199 5.163 -1.471 1.00 0.00 O ATOM 342 CB GLN A 27 -21.744 5.765 1.546 1.00 0.00 C ATOM 343 CG GLN A 27 -22.675 6.606 2.405 1.00 0.00 C ATOM 344 CD GLN A 27 -22.286 8.071 2.425 1.00 0.00 C ATOM 345 OE1 GLN A 27 -21.103 8.412 2.392 1.00 0.00 O ATOM 346 NE2 GLN A 27 -23.282 8.948 2.480 1.00 0.00 N ATOM 0 H GLN A 27 -22.889 4.467 -0.344 1.00 0.00 H new ATOM 0 HA GLN A 27 -21.973 7.232 -0.007 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -22.037 4.718 1.625 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -20.731 5.843 1.940 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -23.694 6.510 2.031 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -22.672 6.219 3.424 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -24.248 8.622 2.506 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -23.081 9.948 2.496 1.00 0.00 H new ATOM 355 N ASP A 28 -19.354 6.613 0.028 1.00 0.00 N ATOM 356 CA ASP A 28 -17.983 6.478 -0.450 1.00 0.00 C ATOM 357 C ASP A 28 -17.068 5.969 0.659 1.00 0.00 C ATOM 358 O ASP A 28 -17.248 6.306 1.830 1.00 0.00 O ATOM 359 CB ASP A 28 -17.470 7.820 -0.976 1.00 0.00 C ATOM 360 CG ASP A 28 -17.742 8.961 -0.016 1.00 0.00 C ATOM 361 OD1 ASP A 28 -18.924 9.330 0.148 1.00 0.00 O ATOM 362 OD2 ASP A 28 -16.773 9.483 0.573 1.00 0.00 O ATOM 0 H ASP A 28 -19.466 7.259 0.809 1.00 0.00 H new ATOM 0 HA ASP A 28 -17.977 5.751 -1.262 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -16.397 7.750 -1.157 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -17.942 8.035 -1.935 1.00 0.00 H new ATOM 367 N PHE A 29 -16.087 5.156 0.283 1.00 0.00 N ATOM 368 CA PHE A 29 -15.145 4.598 1.246 1.00 0.00 C ATOM 369 C PHE A 29 -13.772 4.397 0.611 1.00 0.00 C ATOM 370 O PHE A 29 -13.658 3.847 -0.485 1.00 0.00 O ATOM 371 CB PHE A 29 -15.667 3.267 1.791 1.00 0.00 C ATOM 372 CG PHE A 29 -15.413 2.104 0.876 1.00 0.00 C ATOM 373 CD1 PHE A 29 -14.170 1.491 0.841 1.00 0.00 C ATOM 374 CD2 PHE A 29 -16.416 1.622 0.051 1.00 0.00 C ATOM 375 CE1 PHE A 29 -13.933 0.421 -0.001 1.00 0.00 C ATOM 376 CE2 PHE A 29 -16.185 0.552 -0.793 1.00 0.00 C ATOM 377 CZ PHE A 29 -14.942 -0.050 -0.818 1.00 0.00 C ATOM 0 H PHE A 29 -15.923 4.869 -0.682 1.00 0.00 H new ATOM 0 HA PHE A 29 -15.045 5.305 2.069 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -15.199 3.070 2.755 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -16.739 3.352 1.969 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.378 1.854 1.479 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -17.390 2.088 0.067 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.960 -0.046 -0.020 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -16.975 0.187 -1.432 1.00 0.00 H new ATOM 0 HZ PHE A 29 -14.760 -0.887 -1.475 1.00 0.00 H new ATOM 387 N VAL A 30 -12.733 4.847 1.306 1.00 0.00 N ATOM 388 CA VAL A 30 -11.368 4.717 0.811 1.00 0.00 C ATOM 389 C VAL A 30 -10.493 3.960 1.804 1.00 0.00 C ATOM 390 O VAL A 30 -10.027 4.524 2.795 1.00 0.00 O ATOM 391 CB VAL A 30 -10.737 6.095 0.535 1.00 0.00 C ATOM 392 CG1 VAL A 30 -10.938 7.022 1.724 1.00 0.00 C ATOM 393 CG2 VAL A 30 -9.258 5.948 0.208 1.00 0.00 C ATOM 0 H VAL A 30 -12.810 5.305 2.214 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.422 4.157 -0.122 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.235 6.537 -0.328 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.486 7.991 1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -12.005 7.152 1.908 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.468 6.589 2.607 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.828 6.931 0.016 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.743 5.485 1.050 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.141 5.322 -0.677 1.00 0.00 H new ATOM 403 N LEU A 31 -10.274 2.678 1.532 1.00 0.00 N ATOM 404 CA LEU A 31 -9.454 1.841 2.402 1.00 0.00 C ATOM 405 C LEU A 31 -8.100 2.492 2.665 1.00 0.00 C ATOM 406 O LEU A 31 -7.362 2.811 1.733 1.00 0.00 O ATOM 407 CB LEU A 31 -9.255 0.460 1.774 1.00 0.00 C ATOM 408 CG LEU A 31 -10.530 -0.307 1.422 1.00 0.00 C ATOM 409 CD1 LEU A 31 -10.255 -1.325 0.326 1.00 0.00 C ATOM 410 CD2 LEU A 31 -11.098 -0.991 2.657 1.00 0.00 C ATOM 0 H LEU A 31 -10.652 2.196 0.717 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.974 1.729 3.353 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.663 0.578 0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.667 -0.148 2.461 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.269 0.404 1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.174 -1.861 0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.894 -0.812 -0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.500 -2.033 0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.005 -1.532 2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.363 -1.690 3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.333 -0.241 3.412 1.00 0.00 H new ATOM 422 N GLN A 32 -7.780 2.685 3.941 1.00 0.00 N ATOM 423 CA GLN A 32 -6.514 3.297 4.326 1.00 0.00 C ATOM 424 C GLN A 32 -5.595 2.275 4.989 1.00 0.00 C ATOM 425 O GLN A 32 -5.990 1.593 5.935 1.00 0.00 O ATOM 426 CB GLN A 32 -6.758 4.471 5.275 1.00 0.00 C ATOM 427 CG GLN A 32 -5.592 5.442 5.355 1.00 0.00 C ATOM 428 CD GLN A 32 -5.921 6.686 6.157 1.00 0.00 C ATOM 429 OE1 GLN A 32 -7.083 6.947 6.469 1.00 0.00 O ATOM 430 NE2 GLN A 32 -4.897 7.461 6.495 1.00 0.00 N ATOM 0 H GLN A 32 -8.380 2.427 4.725 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.028 3.665 3.422 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.648 5.011 4.950 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.966 4.084 6.272 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.736 4.940 5.806 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.296 5.732 4.347 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.950 7.206 6.215 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.057 8.311 7.035 1.00 0.00 H new ATOM 439 N CYS A 33 -4.370 2.176 4.486 1.00 0.00 N ATOM 440 CA CYS A 33 -3.395 1.236 5.029 1.00 0.00 C ATOM 441 C CYS A 33 -1.984 1.809 4.947 1.00 0.00 C ATOM 442 O CYS A 33 -1.758 2.843 4.318 1.00 0.00 O ATOM 443 CB CYS A 33 -3.463 -0.093 4.276 1.00 0.00 C ATOM 444 SG CYS A 33 -3.084 0.036 2.513 1.00 0.00 S ATOM 0 H CYS A 33 -4.028 2.734 3.704 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.638 1.064 6.078 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.767 -0.795 4.736 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.462 -0.513 4.392 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.124 1.284 2.151 1.00 0.00 H new ATOM 450 N SER A 34 -1.037 1.130 5.587 1.00 0.00 N ATOM 451 CA SER A 34 0.352 1.575 5.591 1.00 0.00 C ATOM 452 C SER A 34 1.285 0.444 5.168 1.00 0.00 C ATOM 453 O SER A 34 1.198 -0.672 5.679 1.00 0.00 O ATOM 454 CB SER A 34 0.743 2.081 6.981 1.00 0.00 C ATOM 455 OG SER A 34 -0.119 3.123 7.405 1.00 0.00 O ATOM 0 H SER A 34 -1.206 0.270 6.109 1.00 0.00 H new ATOM 0 HA SER A 34 0.449 2.391 4.875 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.703 1.259 7.695 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.772 2.440 6.965 1.00 0.00 H new ATOM 0 HG SER A 34 0.150 3.428 8.296 1.00 0.00 H new ATOM 461 N VAL A 35 2.179 0.743 4.230 1.00 0.00 N ATOM 462 CA VAL A 35 3.130 -0.246 3.738 1.00 0.00 C ATOM 463 C VAL A 35 4.490 0.386 3.466 1.00 0.00 C ATOM 464 O VAL A 35 4.630 1.224 2.575 1.00 0.00 O ATOM 465 CB VAL A 35 2.623 -0.920 2.449 1.00 0.00 C ATOM 466 CG1 VAL A 35 2.075 0.120 1.483 1.00 0.00 C ATOM 467 CG2 VAL A 35 3.734 -1.731 1.799 1.00 0.00 C ATOM 0 H VAL A 35 2.264 1.662 3.796 1.00 0.00 H new ATOM 0 HA VAL A 35 3.233 -1.001 4.518 1.00 0.00 H new ATOM 0 HB VAL A 35 1.813 -1.601 2.710 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.721 -0.374 0.578 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.248 0.652 1.952 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.863 0.828 1.225 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.358 -2.200 0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.567 -1.073 1.550 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.074 -2.502 2.491 1.00 0.00 H new ATOM 477 N ARG A 36 5.491 -0.020 4.241 1.00 0.00 N ATOM 478 CA ARG A 36 6.841 0.508 4.084 1.00 0.00 C ATOM 479 C ARG A 36 7.664 -0.373 3.149 1.00 0.00 C ATOM 480 O ARG A 36 7.303 -1.518 2.880 1.00 0.00 O ATOM 481 CB ARG A 36 7.532 0.611 5.445 1.00 0.00 C ATOM 482 CG ARG A 36 6.758 1.436 6.460 1.00 0.00 C ATOM 483 CD ARG A 36 7.663 1.944 7.572 1.00 0.00 C ATOM 484 NE ARG A 36 6.920 2.684 8.587 1.00 0.00 N ATOM 485 CZ ARG A 36 7.499 3.404 9.542 1.00 0.00 C ATOM 486 NH1 ARG A 36 8.820 3.480 9.611 1.00 0.00 N ATOM 487 NH2 ARG A 36 6.754 4.050 10.431 1.00 0.00 N ATOM 0 H ARG A 36 5.392 -0.712 4.983 1.00 0.00 H new ATOM 0 HA ARG A 36 6.767 1.503 3.645 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.682 -0.392 5.844 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.520 1.051 5.309 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.286 2.281 5.959 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.958 0.831 6.888 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.172 1.101 8.038 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.434 2.587 7.147 1.00 0.00 H new ATOM 0 HE ARG A 36 5.901 2.646 8.562 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.396 2.985 8.930 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.261 4.034 10.345 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.737 3.994 10.381 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.199 4.603 11.164 1.00 0.00 H new ATOM 501 N GLY A 37 8.773 0.170 2.656 1.00 0.00 N ATOM 502 CA GLY A 37 9.630 -0.580 1.756 1.00 0.00 C ATOM 503 C GLY A 37 10.448 0.319 0.851 1.00 0.00 C ATOM 504 O GLY A 37 10.186 1.518 0.751 1.00 0.00 O ATOM 0 H GLY A 37 9.093 1.116 2.864 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.301 -1.211 2.339 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.018 -1.245 1.146 1.00 0.00 H new ATOM 508 N THR A 38 11.446 -0.259 0.190 1.00 0.00 N ATOM 509 CA THR A 38 12.308 0.498 -0.709 1.00 0.00 C ATOM 510 C THR A 38 13.096 -0.430 -1.627 1.00 0.00 C ATOM 511 O THR A 38 13.753 -1.371 -1.183 1.00 0.00 O ATOM 512 CB THR A 38 13.295 1.385 0.074 1.00 0.00 C ATOM 513 OG1 THR A 38 12.600 2.492 0.659 1.00 0.00 O ATOM 514 CG2 THR A 38 14.401 1.897 -0.836 1.00 0.00 C ATOM 0 H THR A 38 11.677 -1.250 0.261 1.00 0.00 H new ATOM 0 HA THR A 38 11.657 1.133 -1.310 1.00 0.00 H new ATOM 0 HB THR A 38 13.745 0.782 0.862 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.646 2.430 0.444 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.086 2.521 -0.261 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.946 1.052 -1.257 1.00 0.00 H new ATOM 0 HG23 THR A 38 13.965 2.486 -1.643 1.00 0.00 H new ATOM 522 N PRO A 39 13.030 -0.161 -2.939 1.00 0.00 N ATOM 523 CA PRO A 39 12.249 0.957 -3.480 1.00 0.00 C ATOM 524 C PRO A 39 10.747 0.730 -3.351 1.00 0.00 C ATOM 525 O PRO A 39 10.301 -0.364 -3.007 1.00 0.00 O ATOM 526 CB PRO A 39 12.660 0.995 -4.954 1.00 0.00 C ATOM 527 CG PRO A 39 13.097 -0.395 -5.262 1.00 0.00 C ATOM 528 CD PRO A 39 13.711 -0.926 -3.996 1.00 0.00 C ATOM 0 HA PRO A 39 12.443 1.887 -2.945 1.00 0.00 H new ATOM 0 HB2 PRO A 39 11.828 1.298 -5.589 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.466 1.710 -5.122 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.252 -1.010 -5.574 1.00 0.00 H new ATOM 0 HG3 PRO A 39 13.818 -0.405 -6.080 1.00 0.00 H new ATOM 0 HD2 PRO A 39 13.544 -1.998 -3.887 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.789 -0.768 -3.975 1.00 0.00 H new ATOM 536 N VAL A 40 9.970 1.773 -3.629 1.00 0.00 N ATOM 537 CA VAL A 40 8.517 1.687 -3.546 1.00 0.00 C ATOM 538 C VAL A 40 7.998 0.441 -4.254 1.00 0.00 C ATOM 539 O VAL A 40 8.184 0.258 -5.457 1.00 0.00 O ATOM 540 CB VAL A 40 7.846 2.930 -4.160 1.00 0.00 C ATOM 541 CG1 VAL A 40 6.331 2.790 -4.126 1.00 0.00 C ATOM 542 CG2 VAL A 40 8.289 4.189 -3.431 1.00 0.00 C ATOM 0 H VAL A 40 10.323 2.687 -3.913 1.00 0.00 H new ATOM 0 HA VAL A 40 8.263 1.631 -2.487 1.00 0.00 H new ATOM 0 HB VAL A 40 8.157 3.012 -5.202 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.874 3.677 -4.564 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.034 1.910 -4.696 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.999 2.682 -3.093 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.805 5.058 -3.878 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.009 4.118 -2.380 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.371 4.295 -3.512 1.00 0.00 H new ATOM 552 N PRO A 41 7.332 -0.439 -3.491 1.00 0.00 N ATOM 553 CA PRO A 41 6.771 -1.684 -4.025 1.00 0.00 C ATOM 554 C PRO A 41 5.584 -1.435 -4.949 1.00 0.00 C ATOM 555 O PRO A 41 4.957 -0.377 -4.899 1.00 0.00 O ATOM 556 CB PRO A 41 6.324 -2.438 -2.770 1.00 0.00 C ATOM 557 CG PRO A 41 6.079 -1.374 -1.756 1.00 0.00 C ATOM 558 CD PRO A 41 7.073 -0.285 -2.050 1.00 0.00 C ATOM 0 HA PRO A 41 7.493 -2.230 -4.632 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.422 -3.021 -2.958 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.090 -3.136 -2.434 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.058 -0.999 -1.823 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.211 -1.760 -0.745 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.670 0.701 -1.817 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.984 -0.403 -1.463 1.00 0.00 H new ATOM 566 N ARG A 42 5.279 -2.418 -5.790 1.00 0.00 N ATOM 567 CA ARG A 42 4.167 -2.305 -6.726 1.00 0.00 C ATOM 568 C ARG A 42 2.831 -2.322 -5.988 1.00 0.00 C ATOM 569 O ARG A 42 2.500 -3.293 -5.307 1.00 0.00 O ATOM 570 CB ARG A 42 4.213 -3.445 -7.746 1.00 0.00 C ATOM 571 CG ARG A 42 5.128 -3.168 -8.927 1.00 0.00 C ATOM 572 CD ARG A 42 6.555 -3.607 -8.641 1.00 0.00 C ATOM 573 NE ARG A 42 7.433 -3.395 -9.788 1.00 0.00 N ATOM 574 CZ ARG A 42 8.748 -3.584 -9.753 1.00 0.00 C ATOM 575 NH1 ARG A 42 9.332 -3.989 -8.634 1.00 0.00 N ATOM 576 NH2 ARG A 42 9.480 -3.370 -10.839 1.00 0.00 N ATOM 0 H ARG A 42 5.786 -3.301 -5.842 1.00 0.00 H new ATOM 0 HA ARG A 42 4.261 -1.354 -7.250 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.544 -4.355 -7.246 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.204 -3.632 -8.115 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.755 -3.691 -9.808 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.113 -2.103 -9.158 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.939 -3.055 -7.783 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.562 -4.663 -8.369 1.00 0.00 H new ATOM 0 HE ARG A 42 7.014 -3.085 -10.665 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.772 -4.156 -7.798 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.341 -4.134 -8.609 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.033 -3.060 -11.702 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.489 -3.515 -10.811 1.00 0.00 H new ATOM 590 N ILE A 43 2.070 -1.242 -6.128 1.00 0.00 N ATOM 591 CA ILE A 43 0.772 -1.133 -5.475 1.00 0.00 C ATOM 592 C ILE A 43 -0.351 -1.579 -6.406 1.00 0.00 C ATOM 593 O ILE A 43 -0.729 -0.859 -7.330 1.00 0.00 O ATOM 594 CB ILE A 43 0.495 0.308 -5.008 1.00 0.00 C ATOM 595 CG1 ILE A 43 1.662 0.828 -4.167 1.00 0.00 C ATOM 596 CG2 ILE A 43 -0.803 0.368 -4.217 1.00 0.00 C ATOM 597 CD1 ILE A 43 2.011 -0.066 -2.999 1.00 0.00 C ATOM 0 H ILE A 43 2.330 -0.430 -6.688 1.00 0.00 H new ATOM 0 HA ILE A 43 0.801 -1.788 -4.605 1.00 0.00 H new ATOM 0 HB ILE A 43 0.392 0.945 -5.886 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.539 0.937 -4.805 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.415 1.821 -3.792 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.985 1.393 -3.894 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.628 0.034 -4.846 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.727 -0.280 -3.344 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.847 0.365 -2.448 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.148 -0.155 -2.339 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.290 -1.053 -3.367 1.00 0.00 H new ATOM 609 N THR A 44 -0.882 -2.772 -6.155 1.00 0.00 N ATOM 610 CA THR A 44 -1.962 -3.314 -6.969 1.00 0.00 C ATOM 611 C THR A 44 -3.022 -3.983 -6.102 1.00 0.00 C ATOM 612 O THR A 44 -2.739 -4.947 -5.391 1.00 0.00 O ATOM 613 CB THR A 44 -1.434 -4.335 -7.994 1.00 0.00 C ATOM 614 OG1 THR A 44 -0.548 -3.691 -8.916 1.00 0.00 O ATOM 615 CG2 THR A 44 -2.582 -4.982 -8.754 1.00 0.00 C ATOM 0 H THR A 44 -0.581 -3.381 -5.394 1.00 0.00 H new ATOM 0 HA THR A 44 -2.409 -2.474 -7.501 1.00 0.00 H new ATOM 0 HB THR A 44 -0.893 -5.112 -7.454 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.216 -4.348 -9.563 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.185 -5.699 -9.472 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.238 -5.497 -8.052 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.147 -4.214 -9.283 1.00 0.00 H new ATOM 623 N TRP A 45 -4.244 -3.466 -6.166 1.00 0.00 N ATOM 624 CA TRP A 45 -5.348 -4.014 -5.386 1.00 0.00 C ATOM 625 C TRP A 45 -6.141 -5.028 -6.204 1.00 0.00 C ATOM 626 O TRP A 45 -6.215 -4.930 -7.429 1.00 0.00 O ATOM 627 CB TRP A 45 -6.270 -2.891 -4.909 1.00 0.00 C ATOM 628 CG TRP A 45 -5.568 -1.858 -4.080 1.00 0.00 C ATOM 629 CD1 TRP A 45 -4.542 -1.049 -4.476 1.00 0.00 C ATOM 630 CD2 TRP A 45 -5.840 -1.526 -2.714 1.00 0.00 C ATOM 631 NE1 TRP A 45 -4.159 -0.233 -3.438 1.00 0.00 N ATOM 632 CE2 TRP A 45 -4.941 -0.506 -2.347 1.00 0.00 C ATOM 633 CE3 TRP A 45 -6.757 -1.989 -1.767 1.00 0.00 C ATOM 634 CZ2 TRP A 45 -4.934 0.056 -1.073 1.00 0.00 C ATOM 635 CZ3 TRP A 45 -6.748 -1.431 -0.503 1.00 0.00 C ATOM 636 CH2 TRP A 45 -5.842 -0.417 -0.165 1.00 0.00 C ATOM 0 H TRP A 45 -4.495 -2.668 -6.750 1.00 0.00 H new ATOM 0 HA TRP A 45 -4.930 -4.523 -4.518 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -6.720 -2.407 -5.776 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -7.084 -3.322 -4.327 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -4.097 -1.050 -5.460 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -3.414 0.463 -3.474 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -7.460 -2.769 -2.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.236 0.838 -0.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -7.451 -1.783 0.237 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -5.861 -0.001 0.831 1.00 0.00 H new ATOM 647 N LEU A 46 -6.734 -6.000 -5.519 1.00 0.00 N ATOM 648 CA LEU A 46 -7.523 -7.031 -6.183 1.00 0.00 C ATOM 649 C LEU A 46 -8.977 -6.983 -5.725 1.00 0.00 C ATOM 650 O LEU A 46 -9.270 -6.602 -4.591 1.00 0.00 O ATOM 651 CB LEU A 46 -6.933 -8.414 -5.899 1.00 0.00 C ATOM 652 CG LEU A 46 -5.521 -8.663 -6.431 1.00 0.00 C ATOM 653 CD1 LEU A 46 -5.439 -8.320 -7.910 1.00 0.00 C ATOM 654 CD2 LEU A 46 -4.503 -7.856 -5.638 1.00 0.00 C ATOM 0 H LEU A 46 -6.683 -6.095 -4.505 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.493 -6.843 -7.256 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.926 -8.569 -4.820 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.598 -9.165 -6.325 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.290 -9.721 -6.311 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.427 -8.504 -8.271 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.141 -8.941 -8.467 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.691 -7.269 -8.054 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.504 -8.045 -6.030 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.732 -6.794 -5.726 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.543 -8.150 -4.589 1.00 0.00 H new ATOM 666 N LEU A 47 -9.885 -7.375 -6.613 1.00 0.00 N ATOM 667 CA LEU A 47 -11.309 -7.379 -6.300 1.00 0.00 C ATOM 668 C LEU A 47 -11.936 -8.729 -6.633 1.00 0.00 C ATOM 669 O LEU A 47 -11.870 -9.191 -7.771 1.00 0.00 O ATOM 670 CB LEU A 47 -12.024 -6.267 -7.071 1.00 0.00 C ATOM 671 CG LEU A 47 -13.276 -5.689 -6.409 1.00 0.00 C ATOM 672 CD1 LEU A 47 -12.993 -5.326 -4.959 1.00 0.00 C ATOM 673 CD2 LEU A 47 -13.773 -4.474 -7.178 1.00 0.00 C ATOM 0 H LEU A 47 -9.660 -7.694 -7.555 1.00 0.00 H new ATOM 0 HA LEU A 47 -11.421 -7.201 -5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -11.317 -5.454 -7.236 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -12.301 -6.653 -8.052 1.00 0.00 H new ATOM 0 HG LEU A 47 -14.057 -6.449 -6.426 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -13.895 -4.916 -4.504 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -12.685 -6.218 -4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.197 -4.583 -4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -14.664 -4.076 -6.693 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -12.996 -3.710 -7.193 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.016 -4.765 -8.200 1.00 0.00 H new ATOM 685 N ASN A 48 -12.547 -9.355 -5.633 1.00 0.00 N ATOM 686 CA ASN A 48 -13.188 -10.652 -5.820 1.00 0.00 C ATOM 687 C ASN A 48 -12.280 -11.600 -6.597 1.00 0.00 C ATOM 688 O ASN A 48 -12.751 -12.521 -7.263 1.00 0.00 O ATOM 689 CB ASN A 48 -14.519 -10.484 -6.557 1.00 0.00 C ATOM 690 CG ASN A 48 -14.391 -9.612 -7.790 1.00 0.00 C ATOM 691 OD1 ASN A 48 -13.949 -10.069 -8.845 1.00 0.00 O ATOM 692 ND2 ASN A 48 -14.778 -8.348 -7.663 1.00 0.00 N ATOM 0 H ASN A 48 -12.612 -8.985 -4.685 1.00 0.00 H new ATOM 0 HA ASN A 48 -13.376 -11.082 -4.836 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -14.897 -11.464 -6.846 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.253 -10.046 -5.880 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.715 -7.713 -8.459 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -15.138 -8.012 -6.770 1.00 0.00 H new ATOM 699 N GLY A 49 -10.974 -11.368 -6.506 1.00 0.00 N ATOM 700 CA GLY A 49 -10.020 -12.210 -7.204 1.00 0.00 C ATOM 701 C GLY A 49 -9.746 -11.728 -8.615 1.00 0.00 C ATOM 702 O GLY A 49 -9.608 -12.533 -9.536 1.00 0.00 O ATOM 0 H GLY A 49 -10.560 -10.612 -5.961 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.085 -12.236 -6.644 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -10.399 -13.231 -7.239 1.00 0.00 H new ATOM 706 N GLN A 50 -9.669 -10.412 -8.785 1.00 0.00 N ATOM 707 CA GLN A 50 -9.412 -9.826 -10.095 1.00 0.00 C ATOM 708 C GLN A 50 -8.595 -8.544 -9.967 1.00 0.00 C ATOM 709 O GLN A 50 -8.872 -7.684 -9.130 1.00 0.00 O ATOM 710 CB GLN A 50 -10.730 -9.534 -10.814 1.00 0.00 C ATOM 711 CG GLN A 50 -11.580 -10.772 -11.052 1.00 0.00 C ATOM 712 CD GLN A 50 -12.828 -10.477 -11.860 1.00 0.00 C ATOM 713 OE1 GLN A 50 -12.931 -9.433 -12.506 1.00 0.00 O ATOM 714 NE2 GLN A 50 -13.785 -11.397 -11.830 1.00 0.00 N ATOM 0 H GLN A 50 -9.781 -9.732 -8.033 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.838 -10.545 -10.680 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -11.304 -8.817 -10.227 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.515 -9.061 -11.772 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.984 -11.522 -11.572 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.867 -11.201 -10.092 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -13.658 -12.247 -11.281 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -14.647 -11.253 -12.356 1.00 0.00 H new ATOM 723 N PRO A 51 -7.564 -8.412 -10.814 1.00 0.00 N ATOM 724 CA PRO A 51 -6.686 -7.238 -10.815 1.00 0.00 C ATOM 725 C PRO A 51 -7.392 -5.986 -11.325 1.00 0.00 C ATOM 726 O PRO A 51 -7.712 -5.882 -12.509 1.00 0.00 O ATOM 727 CB PRO A 51 -5.557 -7.641 -11.767 1.00 0.00 C ATOM 728 CG PRO A 51 -6.167 -8.657 -12.670 1.00 0.00 C ATOM 729 CD PRO A 51 -7.176 -9.398 -11.837 1.00 0.00 C ATOM 0 HA PRO A 51 -6.345 -6.983 -9.812 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -5.188 -6.783 -12.329 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -4.708 -8.054 -11.222 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.643 -8.181 -13.528 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.410 -9.336 -13.061 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.032 -9.717 -12.432 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.747 -10.294 -11.389 1.00 0.00 H new ATOM 737 N ILE A 52 -7.631 -5.040 -10.424 1.00 0.00 N ATOM 738 CA ILE A 52 -8.298 -3.794 -10.783 1.00 0.00 C ATOM 739 C ILE A 52 -7.395 -2.916 -11.644 1.00 0.00 C ATOM 740 O ILE A 52 -6.285 -2.569 -11.241 1.00 0.00 O ATOM 741 CB ILE A 52 -8.725 -3.003 -9.533 1.00 0.00 C ATOM 742 CG1 ILE A 52 -9.571 -3.882 -8.611 1.00 0.00 C ATOM 743 CG2 ILE A 52 -9.493 -1.753 -9.935 1.00 0.00 C ATOM 744 CD1 ILE A 52 -9.707 -3.331 -7.208 1.00 0.00 C ATOM 0 H ILE A 52 -7.373 -5.112 -9.440 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.188 -4.065 -11.352 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.830 -2.697 -8.991 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -10.564 -3.999 -9.045 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -9.126 -4.876 -8.561 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -9.788 -1.204 -9.041 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -8.859 -1.120 -10.556 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -10.383 -2.038 -10.496 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -10.320 -4.006 -6.610 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.720 -3.240 -6.755 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.180 -2.350 -7.247 1.00 0.00 H new ATOM 756 N GLN A 53 -7.881 -2.560 -12.828 1.00 0.00 N ATOM 757 CA GLN A 53 -7.118 -1.721 -13.745 1.00 0.00 C ATOM 758 C GLN A 53 -7.437 -0.246 -13.526 1.00 0.00 C ATOM 759 O GLN A 53 -6.605 0.625 -13.785 1.00 0.00 O ATOM 760 CB GLN A 53 -7.416 -2.110 -15.194 1.00 0.00 C ATOM 761 CG GLN A 53 -8.877 -1.948 -15.579 1.00 0.00 C ATOM 762 CD GLN A 53 -9.179 -2.486 -16.964 1.00 0.00 C ATOM 763 OE1 GLN A 53 -8.277 -2.903 -17.691 1.00 0.00 O ATOM 764 NE2 GLN A 53 -10.454 -2.481 -17.337 1.00 0.00 N ATOM 0 H GLN A 53 -8.799 -2.839 -13.175 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.058 -1.878 -13.545 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.804 -1.500 -15.858 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.120 -3.147 -15.351 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.500 -2.464 -14.849 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.145 -0.892 -15.537 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.170 -2.126 -16.703 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.717 -2.832 -18.258 1.00 0.00 H new ATOM 773 N TYR A 54 -8.646 0.029 -13.049 1.00 0.00 N ATOM 774 CA TYR A 54 -9.076 1.399 -12.799 1.00 0.00 C ATOM 775 C TYR A 54 -8.972 1.740 -11.315 1.00 0.00 C ATOM 776 O TYR A 54 -9.701 2.593 -10.810 1.00 0.00 O ATOM 777 CB TYR A 54 -10.514 1.601 -13.280 1.00 0.00 C ATOM 778 CG TYR A 54 -11.473 0.543 -12.782 1.00 0.00 C ATOM 779 CD1 TYR A 54 -12.112 0.678 -11.556 1.00 0.00 C ATOM 780 CD2 TYR A 54 -11.740 -0.592 -13.538 1.00 0.00 C ATOM 781 CE1 TYR A 54 -12.988 -0.286 -11.097 1.00 0.00 C ATOM 782 CE2 TYR A 54 -12.616 -1.561 -13.088 1.00 0.00 C ATOM 783 CZ TYR A 54 -13.237 -1.403 -11.867 1.00 0.00 C ATOM 784 OH TYR A 54 -14.110 -2.367 -11.414 1.00 0.00 O ATOM 0 H TYR A 54 -9.346 -0.679 -12.828 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.417 2.066 -13.354 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -10.864 2.580 -12.952 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.526 1.607 -14.370 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -11.920 1.552 -10.951 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -11.254 -0.719 -14.494 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -13.475 -0.166 -10.141 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -12.813 -2.437 -13.689 1.00 0.00 H new ATOM 0 HH TYR A 54 -14.174 -3.087 -12.076 1.00 0.00 H new ATOM 794 N ALA A 55 -8.060 1.066 -10.623 1.00 0.00 N ATOM 795 CA ALA A 55 -7.857 1.298 -9.198 1.00 0.00 C ATOM 796 C ALA A 55 -7.027 2.555 -8.959 1.00 0.00 C ATOM 797 O ALA A 55 -5.801 2.529 -9.060 1.00 0.00 O ATOM 798 CB ALA A 55 -7.187 0.092 -8.557 1.00 0.00 C ATOM 0 H ALA A 55 -7.450 0.355 -11.026 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.834 1.446 -8.737 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.042 0.279 -7.493 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.818 -0.787 -8.688 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.221 -0.082 -9.030 1.00 0.00 H new ATOM 804 N ARG A 56 -7.704 3.654 -8.644 1.00 0.00 N ATOM 805 CA ARG A 56 -7.029 4.922 -8.392 1.00 0.00 C ATOM 806 C ARG A 56 -6.371 4.924 -7.016 1.00 0.00 C ATOM 807 O ARG A 56 -6.590 5.832 -6.214 1.00 0.00 O ATOM 808 CB ARG A 56 -8.021 6.082 -8.498 1.00 0.00 C ATOM 809 CG ARG A 56 -8.599 6.264 -9.891 1.00 0.00 C ATOM 810 CD ARG A 56 -9.749 7.259 -9.892 1.00 0.00 C ATOM 811 NE ARG A 56 -10.140 7.644 -11.245 1.00 0.00 N ATOM 812 CZ ARG A 56 -9.483 8.540 -11.973 1.00 0.00 C ATOM 813 NH1 ARG A 56 -8.409 9.140 -11.480 1.00 0.00 N ATOM 814 NH2 ARG A 56 -9.901 8.837 -13.197 1.00 0.00 N ATOM 0 H ARG A 56 -8.720 3.692 -8.557 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.252 5.048 -9.146 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.837 5.917 -7.794 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.523 7.004 -8.197 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.818 6.609 -10.568 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.948 5.303 -10.270 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.605 6.823 -9.378 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.459 8.148 -9.332 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.963 7.201 -11.654 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.085 8.914 -10.540 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.906 9.828 -12.041 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.727 8.377 -13.579 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.396 9.525 -13.755 1.00 0.00 H new ATOM 828 N SER A 57 -5.566 3.901 -6.749 1.00 0.00 N ATOM 829 CA SER A 57 -4.879 3.783 -5.468 1.00 0.00 C ATOM 830 C SER A 57 -3.857 4.902 -5.293 1.00 0.00 C ATOM 831 O SER A 57 -3.001 5.117 -6.152 1.00 0.00 O ATOM 832 CB SER A 57 -4.187 2.423 -5.360 1.00 0.00 C ATOM 833 OG SER A 57 -3.459 2.126 -6.539 1.00 0.00 O ATOM 0 H SER A 57 -5.373 3.142 -7.402 1.00 0.00 H new ATOM 0 HA SER A 57 -5.623 3.868 -4.676 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.514 2.421 -4.503 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.931 1.646 -5.183 1.00 0.00 H new ATOM 0 HG SER A 57 -2.971 2.924 -6.832 1.00 0.00 H new ATOM 839 N THR A 58 -3.953 5.614 -4.175 1.00 0.00 N ATOM 840 CA THR A 58 -3.039 6.712 -3.887 1.00 0.00 C ATOM 841 C THR A 58 -2.358 6.521 -2.536 1.00 0.00 C ATOM 842 O THR A 58 -3.019 6.274 -1.527 1.00 0.00 O ATOM 843 CB THR A 58 -3.770 8.068 -3.893 1.00 0.00 C ATOM 844 OG1 THR A 58 -4.750 8.101 -2.848 1.00 0.00 O ATOM 845 CG2 THR A 58 -4.444 8.314 -5.234 1.00 0.00 C ATOM 0 H THR A 58 -4.655 5.450 -3.454 1.00 0.00 H new ATOM 0 HA THR A 58 -2.285 6.710 -4.674 1.00 0.00 H new ATOM 0 HB THR A 58 -3.033 8.853 -3.725 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.509 7.454 -2.153 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.954 9.277 -5.214 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.693 8.317 -6.024 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.170 7.524 -5.427 1.00 0.00 H new ATOM 853 N CYS A 59 -1.035 6.636 -2.525 1.00 0.00 N ATOM 854 CA CYS A 59 -0.264 6.476 -1.297 1.00 0.00 C ATOM 855 C CYS A 59 0.388 7.793 -0.888 1.00 0.00 C ATOM 856 O CYS A 59 1.161 8.375 -1.648 1.00 0.00 O ATOM 857 CB CYS A 59 0.805 5.398 -1.479 1.00 0.00 C ATOM 858 SG CYS A 59 0.277 3.998 -2.494 1.00 0.00 S ATOM 0 H CYS A 59 -0.474 6.839 -3.352 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.948 6.170 -0.505 1.00 0.00 H new ATOM 0 HB2 CYS A 59 1.687 5.849 -1.933 1.00 0.00 H new ATOM 0 HB3 CYS A 59 1.104 5.029 -0.498 1.00 0.00 H new ATOM 0 HG CYS A 59 0.732 2.894 -1.981 1.00 0.00 H new ATOM 864 N GLU A 60 0.069 8.257 0.316 1.00 0.00 N ATOM 865 CA GLU A 60 0.623 9.506 0.824 1.00 0.00 C ATOM 866 C GLU A 60 1.693 9.239 1.878 1.00 0.00 C ATOM 867 O GLU A 60 1.386 9.041 3.053 1.00 0.00 O ATOM 868 CB GLU A 60 -0.486 10.378 1.417 1.00 0.00 C ATOM 869 CG GLU A 60 -1.122 11.322 0.410 1.00 0.00 C ATOM 870 CD GLU A 60 -2.536 11.716 0.792 1.00 0.00 C ATOM 871 OE1 GLU A 60 -2.695 12.715 1.525 1.00 0.00 O ATOM 872 OE2 GLU A 60 -3.482 11.027 0.358 1.00 0.00 O ATOM 0 H GLU A 60 -0.570 7.787 0.957 1.00 0.00 H new ATOM 0 HA GLU A 60 1.084 10.034 -0.011 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.258 9.733 1.836 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.076 10.962 2.241 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.510 12.220 0.322 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.134 10.847 -0.571 1.00 0.00 H new ATOM 879 N ALA A 61 2.951 9.234 1.448 1.00 0.00 N ATOM 880 CA ALA A 61 4.067 8.992 2.354 1.00 0.00 C ATOM 881 C ALA A 61 4.114 7.531 2.789 1.00 0.00 C ATOM 882 O ALA A 61 4.494 7.222 3.917 1.00 0.00 O ATOM 883 CB ALA A 61 3.967 9.903 3.569 1.00 0.00 C ATOM 0 H ALA A 61 3.222 9.395 0.478 1.00 0.00 H new ATOM 0 HA ALA A 61 4.991 9.215 1.821 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.807 9.712 4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.990 10.944 3.246 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.033 9.707 4.095 1.00 0.00 H new ATOM 889 N GLY A 62 3.726 6.637 1.885 1.00 0.00 N ATOM 890 CA GLY A 62 3.731 5.219 2.195 1.00 0.00 C ATOM 891 C GLY A 62 2.352 4.697 2.545 1.00 0.00 C ATOM 892 O GLY A 62 2.068 3.510 2.377 1.00 0.00 O ATOM 0 H GLY A 62 3.408 6.869 0.944 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.120 4.665 1.341 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.408 5.035 3.029 1.00 0.00 H new ATOM 896 N VAL A 63 1.491 5.584 3.034 1.00 0.00 N ATOM 897 CA VAL A 63 0.133 5.206 3.408 1.00 0.00 C ATOM 898 C VAL A 63 -0.741 5.003 2.176 1.00 0.00 C ATOM 899 O VAL A 63 -1.383 5.936 1.697 1.00 0.00 O ATOM 900 CB VAL A 63 -0.515 6.269 4.314 1.00 0.00 C ATOM 901 CG1 VAL A 63 -1.955 5.894 4.632 1.00 0.00 C ATOM 902 CG2 VAL A 63 0.293 6.445 5.591 1.00 0.00 C ATOM 0 H VAL A 63 1.710 6.569 3.180 1.00 0.00 H new ATOM 0 HA VAL A 63 0.206 4.267 3.956 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.521 7.220 3.781 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.397 6.657 5.273 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.526 5.824 3.706 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.976 4.932 5.145 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.179 7.200 6.219 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.333 5.498 6.129 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.305 6.763 5.340 1.00 0.00 H new ATOM 912 N ALA A 64 -0.760 3.775 1.667 1.00 0.00 N ATOM 913 CA ALA A 64 -1.557 3.448 0.491 1.00 0.00 C ATOM 914 C ALA A 64 -3.046 3.613 0.774 1.00 0.00 C ATOM 915 O ALA A 64 -3.504 3.375 1.891 1.00 0.00 O ATOM 916 CB ALA A 64 -1.260 2.029 0.030 1.00 0.00 C ATOM 0 H ALA A 64 -0.233 2.991 2.051 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.286 4.141 -0.305 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.862 1.798 -0.849 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.203 1.942 -0.221 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.502 1.329 0.829 1.00 0.00 H new ATOM 922 N GLU A 65 -3.796 4.023 -0.244 1.00 0.00 N ATOM 923 CA GLU A 65 -5.233 4.222 -0.102 1.00 0.00 C ATOM 924 C GLU A 65 -5.957 3.904 -1.407 1.00 0.00 C ATOM 925 O GLU A 65 -5.422 4.119 -2.496 1.00 0.00 O ATOM 926 CB GLU A 65 -5.532 5.661 0.322 1.00 0.00 C ATOM 927 CG GLU A 65 -4.990 6.015 1.697 1.00 0.00 C ATOM 928 CD GLU A 65 -5.798 7.101 2.381 1.00 0.00 C ATOM 929 OE1 GLU A 65 -7.025 6.923 2.527 1.00 0.00 O ATOM 930 OE2 GLU A 65 -5.203 8.128 2.769 1.00 0.00 O ATOM 0 H GLU A 65 -3.432 4.224 -1.176 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.594 3.542 0.669 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.107 6.344 -0.414 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.611 5.816 0.315 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.985 5.122 2.322 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.955 6.343 1.602 1.00 0.00 H new ATOM 937 N LEU A 66 -7.177 3.391 -1.290 1.00 0.00 N ATOM 938 CA LEU A 66 -7.976 3.043 -2.460 1.00 0.00 C ATOM 939 C LEU A 66 -9.339 3.726 -2.411 1.00 0.00 C ATOM 940 O LEU A 66 -10.267 3.239 -1.763 1.00 0.00 O ATOM 941 CB LEU A 66 -8.156 1.526 -2.546 1.00 0.00 C ATOM 942 CG LEU A 66 -8.815 0.999 -3.821 1.00 0.00 C ATOM 943 CD1 LEU A 66 -7.827 1.011 -4.977 1.00 0.00 C ATOM 944 CD2 LEU A 66 -9.362 -0.403 -3.599 1.00 0.00 C ATOM 0 H LEU A 66 -7.634 3.207 -0.397 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.447 3.391 -3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.177 1.058 -2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.752 1.202 -1.693 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.647 1.656 -4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.314 0.633 -5.876 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.484 2.031 -5.152 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.974 0.378 -4.733 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.827 -0.762 -4.517 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.547 -1.071 -3.320 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.104 -0.382 -2.801 1.00 0.00 H new ATOM 956 N HIS A 67 -9.455 4.855 -3.103 1.00 0.00 N ATOM 957 CA HIS A 67 -10.706 5.604 -3.141 1.00 0.00 C ATOM 958 C HIS A 67 -11.741 4.888 -4.004 1.00 0.00 C ATOM 959 O HIS A 67 -11.542 4.706 -5.205 1.00 0.00 O ATOM 960 CB HIS A 67 -10.465 7.014 -3.679 1.00 0.00 C ATOM 961 CG HIS A 67 -9.659 7.877 -2.757 1.00 0.00 C ATOM 962 ND1 HIS A 67 -10.205 8.907 -2.021 1.00 0.00 N ATOM 963 CD2 HIS A 67 -8.340 7.857 -2.452 1.00 0.00 C ATOM 964 CE1 HIS A 67 -9.257 9.485 -1.305 1.00 0.00 C ATOM 965 NE2 HIS A 67 -8.116 8.866 -1.548 1.00 0.00 N ATOM 0 H HIS A 67 -8.698 5.271 -3.645 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.091 5.673 -2.123 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -9.953 6.945 -4.639 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -11.427 7.493 -3.864 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.602 7.175 -2.846 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.392 10.321 -0.635 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -7.215 9.100 -1.132 1.00 0.00 H new ATOM 974 N ILE A 68 -12.844 4.485 -3.383 1.00 0.00 N ATOM 975 CA ILE A 68 -13.910 3.790 -4.094 1.00 0.00 C ATOM 976 C ILE A 68 -15.253 4.480 -3.883 1.00 0.00 C ATOM 977 O ILE A 68 -15.905 4.289 -2.857 1.00 0.00 O ATOM 978 CB ILE A 68 -14.024 2.321 -3.643 1.00 0.00 C ATOM 979 CG1 ILE A 68 -12.681 1.608 -3.810 1.00 0.00 C ATOM 980 CG2 ILE A 68 -15.111 1.607 -4.432 1.00 0.00 C ATOM 981 CD1 ILE A 68 -12.277 1.411 -5.254 1.00 0.00 C ATOM 0 H ILE A 68 -13.023 4.628 -2.389 1.00 0.00 H new ATOM 0 HA ILE A 68 -13.652 3.818 -5.153 1.00 0.00 H new ATOM 0 HB ILE A 68 -14.296 2.301 -2.588 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -11.908 2.183 -3.300 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.731 0.636 -3.319 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -15.179 0.570 -4.102 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -16.067 2.104 -4.266 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -14.867 1.634 -5.494 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.315 0.900 -5.296 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -13.030 0.810 -5.764 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.194 2.381 -5.744 1.00 0.00 H new ATOM 993 N GLN A 69 -15.661 5.281 -4.862 1.00 0.00 N ATOM 994 CA GLN A 69 -16.927 5.999 -4.784 1.00 0.00 C ATOM 995 C GLN A 69 -18.069 5.151 -5.337 1.00 0.00 C ATOM 996 O GLN A 69 -17.843 4.205 -6.091 1.00 0.00 O ATOM 997 CB GLN A 69 -16.838 7.319 -5.553 1.00 0.00 C ATOM 998 CG GLN A 69 -16.652 7.139 -7.051 1.00 0.00 C ATOM 999 CD GLN A 69 -16.527 8.459 -7.786 1.00 0.00 C ATOM 1000 OE1 GLN A 69 -15.837 9.372 -7.333 1.00 0.00 O ATOM 1001 NE2 GLN A 69 -17.197 8.567 -8.927 1.00 0.00 N ATOM 0 H GLN A 69 -15.133 5.449 -5.718 1.00 0.00 H new ATOM 0 HA GLN A 69 -17.131 6.211 -3.734 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -17.746 7.896 -5.375 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.006 7.904 -5.160 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -15.760 6.540 -7.233 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -17.498 6.582 -7.454 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -17.757 7.785 -9.266 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -17.152 9.432 -9.465 1.00 0.00 H new ATOM 1010 N ASP A 70 -19.293 5.497 -4.956 1.00 0.00 N ATOM 1011 CA ASP A 70 -20.471 4.768 -5.414 1.00 0.00 C ATOM 1012 C ASP A 70 -20.380 3.294 -5.030 1.00 0.00 C ATOM 1013 O ASP A 70 -20.521 2.413 -5.878 1.00 0.00 O ATOM 1014 CB ASP A 70 -20.624 4.905 -6.929 1.00 0.00 C ATOM 1015 CG ASP A 70 -21.983 4.443 -7.418 1.00 0.00 C ATOM 1016 OD1 ASP A 70 -22.999 5.036 -6.997 1.00 0.00 O ATOM 1017 OD2 ASP A 70 -22.031 3.488 -8.221 1.00 0.00 O ATOM 0 H ASP A 70 -19.496 6.277 -4.331 1.00 0.00 H new ATOM 0 HA ASP A 70 -21.347 5.198 -4.928 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -20.473 5.946 -7.214 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -19.846 4.324 -7.424 1.00 0.00 H new ATOM 1022 N ALA A 71 -20.144 3.035 -3.749 1.00 0.00 N ATOM 1023 CA ALA A 71 -20.036 1.668 -3.253 1.00 0.00 C ATOM 1024 C ALA A 71 -21.252 0.841 -3.656 1.00 0.00 C ATOM 1025 O ALA A 71 -22.269 0.834 -2.960 1.00 0.00 O ATOM 1026 CB ALA A 71 -19.871 1.667 -1.741 1.00 0.00 C ATOM 0 H ALA A 71 -20.024 3.753 -3.035 1.00 0.00 H new ATOM 0 HA ALA A 71 -19.154 1.212 -3.703 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -19.792 0.640 -1.384 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.968 2.215 -1.473 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -20.735 2.145 -1.280 1.00 0.00 H new ATOM 1032 N LEU A 72 -21.141 0.145 -4.782 1.00 0.00 N ATOM 1033 CA LEU A 72 -22.233 -0.687 -5.277 1.00 0.00 C ATOM 1034 C LEU A 72 -22.296 -2.010 -4.521 1.00 0.00 C ATOM 1035 O LEU A 72 -21.307 -2.479 -3.958 1.00 0.00 O ATOM 1036 CB LEU A 72 -22.060 -0.950 -6.774 1.00 0.00 C ATOM 1037 CG LEU A 72 -22.389 0.220 -7.703 1.00 0.00 C ATOM 1038 CD1 LEU A 72 -22.506 -0.258 -9.142 1.00 0.00 C ATOM 1039 CD2 LEU A 72 -23.673 0.907 -7.262 1.00 0.00 C ATOM 0 H LEU A 72 -20.307 0.140 -5.369 1.00 0.00 H new ATOM 0 HA LEU A 72 -23.168 -0.152 -5.113 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -21.028 -1.251 -6.953 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -22.691 -1.795 -7.049 1.00 0.00 H new ATOM 0 HG LEU A 72 -21.576 0.943 -7.646 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -22.740 0.588 -9.788 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -21.562 -0.703 -9.455 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -23.300 -1.001 -9.215 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -23.891 1.737 -7.934 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -24.496 0.192 -7.289 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -23.553 1.285 -6.247 1.00 0.00 H new ATOM 1051 N PRO A 73 -23.486 -2.628 -4.509 1.00 0.00 N ATOM 1052 CA PRO A 73 -23.707 -3.908 -3.828 1.00 0.00 C ATOM 1053 C PRO A 73 -23.002 -5.065 -4.527 1.00 0.00 C ATOM 1054 O PRO A 73 -22.779 -6.119 -3.931 1.00 0.00 O ATOM 1055 CB PRO A 73 -25.225 -4.088 -3.894 1.00 0.00 C ATOM 1056 CG PRO A 73 -25.649 -3.298 -5.084 1.00 0.00 C ATOM 1057 CD PRO A 73 -24.708 -2.127 -5.160 1.00 0.00 C ATOM 0 HA PRO A 73 -23.309 -3.904 -2.813 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -25.495 -5.139 -4.000 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -25.707 -3.725 -2.986 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -25.597 -3.900 -5.991 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -26.681 -2.963 -4.983 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -24.520 -1.829 -6.191 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -25.109 -1.255 -4.644 1.00 0.00 H new ATOM 1065 N GLU A 74 -22.653 -4.862 -5.794 1.00 0.00 N ATOM 1066 CA GLU A 74 -21.974 -5.891 -6.573 1.00 0.00 C ATOM 1067 C GLU A 74 -20.459 -5.760 -6.443 1.00 0.00 C ATOM 1068 O GLU A 74 -19.706 -6.556 -7.004 1.00 0.00 O ATOM 1069 CB GLU A 74 -22.380 -5.798 -8.045 1.00 0.00 C ATOM 1070 CG GLU A 74 -22.043 -4.463 -8.687 1.00 0.00 C ATOM 1071 CD GLU A 74 -22.139 -4.501 -10.200 1.00 0.00 C ATOM 1072 OE1 GLU A 74 -21.335 -5.223 -10.826 1.00 0.00 O ATOM 1073 OE2 GLU A 74 -23.018 -3.811 -10.757 1.00 0.00 O ATOM 0 H GLU A 74 -22.829 -3.995 -6.302 1.00 0.00 H new ATOM 0 HA GLU A 74 -22.273 -6.864 -6.182 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -21.884 -6.594 -8.601 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -23.453 -5.971 -8.129 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -22.719 -3.699 -8.303 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -21.034 -4.170 -8.398 1.00 0.00 H new ATOM 1080 N ASP A 75 -20.020 -4.751 -5.699 1.00 0.00 N ATOM 1081 CA ASP A 75 -18.596 -4.515 -5.494 1.00 0.00 C ATOM 1082 C ASP A 75 -18.097 -5.250 -4.253 1.00 0.00 C ATOM 1083 O ASP A 75 -16.951 -5.697 -4.203 1.00 0.00 O ATOM 1084 CB ASP A 75 -18.319 -3.017 -5.360 1.00 0.00 C ATOM 1085 CG ASP A 75 -16.860 -2.675 -5.587 1.00 0.00 C ATOM 1086 OD1 ASP A 75 -16.196 -3.394 -6.363 1.00 0.00 O ATOM 1087 OD2 ASP A 75 -16.380 -1.690 -4.988 1.00 0.00 O ATOM 0 H ASP A 75 -20.630 -4.083 -5.228 1.00 0.00 H new ATOM 0 HA ASP A 75 -18.061 -4.899 -6.362 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -18.933 -2.472 -6.077 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -18.617 -2.683 -4.366 1.00 0.00 H new ATOM 1092 N HIS A 76 -18.964 -5.369 -3.253 1.00 0.00 N ATOM 1093 CA HIS A 76 -18.611 -6.049 -2.012 1.00 0.00 C ATOM 1094 C HIS A 76 -17.856 -7.344 -2.297 1.00 0.00 C ATOM 1095 O HIS A 76 -18.461 -8.377 -2.578 1.00 0.00 O ATOM 1096 CB HIS A 76 -19.868 -6.347 -1.194 1.00 0.00 C ATOM 1097 CG HIS A 76 -19.723 -7.525 -0.280 1.00 0.00 C ATOM 1098 ND1 HIS A 76 -20.790 -8.297 0.128 1.00 0.00 N ATOM 1099 CD2 HIS A 76 -18.626 -8.064 0.302 1.00 0.00 C ATOM 1100 CE1 HIS A 76 -20.356 -9.258 0.925 1.00 0.00 C ATOM 1101 NE2 HIS A 76 -19.046 -9.139 1.046 1.00 0.00 N ATOM 0 H HIS A 76 -19.916 -5.003 -3.278 1.00 0.00 H new ATOM 0 HA HIS A 76 -17.961 -5.389 -1.438 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -20.123 -5.468 -0.602 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -20.700 -6.526 -1.875 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -17.610 -7.714 0.200 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -20.968 -10.012 1.397 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -18.444 -9.747 1.602 1.00 0.00 H new ATOM 1110 N GLY A 77 -16.530 -7.278 -2.224 1.00 0.00 N ATOM 1111 CA GLY A 77 -15.715 -8.452 -2.478 1.00 0.00 C ATOM 1112 C GLY A 77 -14.594 -8.608 -1.470 1.00 0.00 C ATOM 1113 O GLY A 77 -14.825 -8.570 -0.261 1.00 0.00 O ATOM 0 H GLY A 77 -16.006 -6.434 -1.994 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -16.346 -9.340 -2.455 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.292 -8.387 -3.480 1.00 0.00 H new ATOM 1117 N THR A 78 -13.374 -8.786 -1.967 1.00 0.00 N ATOM 1118 CA THR A 78 -12.213 -8.952 -1.101 1.00 0.00 C ATOM 1119 C THR A 78 -11.046 -8.093 -1.576 1.00 0.00 C ATOM 1120 O THR A 78 -10.329 -8.463 -2.506 1.00 0.00 O ATOM 1121 CB THR A 78 -11.762 -10.424 -1.042 1.00 0.00 C ATOM 1122 OG1 THR A 78 -12.827 -11.244 -0.550 1.00 0.00 O ATOM 1123 CG2 THR A 78 -10.540 -10.580 -0.149 1.00 0.00 C ATOM 0 H THR A 78 -13.164 -8.819 -2.965 1.00 0.00 H new ATOM 0 HA THR A 78 -12.514 -8.632 -0.103 1.00 0.00 H new ATOM 0 HB THR A 78 -11.498 -10.741 -2.051 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.911 -11.124 0.419 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.240 -11.628 -0.123 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.722 -9.978 -0.544 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.782 -10.246 0.860 1.00 0.00 H new ATOM 1131 N TYR A 79 -10.862 -6.947 -0.931 1.00 0.00 N ATOM 1132 CA TYR A 79 -9.782 -6.034 -1.289 1.00 0.00 C ATOM 1133 C TYR A 79 -8.452 -6.512 -0.714 1.00 0.00 C ATOM 1134 O TYR A 79 -8.311 -6.685 0.497 1.00 0.00 O ATOM 1135 CB TYR A 79 -10.091 -4.623 -0.785 1.00 0.00 C ATOM 1136 CG TYR A 79 -11.225 -3.951 -1.525 1.00 0.00 C ATOM 1137 CD1 TYR A 79 -12.547 -4.172 -1.158 1.00 0.00 C ATOM 1138 CD2 TYR A 79 -10.975 -3.094 -2.589 1.00 0.00 C ATOM 1139 CE1 TYR A 79 -13.587 -3.561 -1.832 1.00 0.00 C ATOM 1140 CE2 TYR A 79 -12.009 -2.477 -3.267 1.00 0.00 C ATOM 1141 CZ TYR A 79 -13.313 -2.714 -2.885 1.00 0.00 C ATOM 1142 OH TYR A 79 -14.345 -2.102 -3.558 1.00 0.00 O ATOM 0 H TYR A 79 -11.446 -6.628 -0.158 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.701 -6.015 -2.376 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.338 -4.671 0.275 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.195 -4.009 -0.876 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -12.765 -4.833 -0.332 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -9.955 -2.907 -2.892 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -14.609 -3.746 -1.536 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.797 -1.813 -4.092 1.00 0.00 H new ATOM 0 HH TYR A 79 -14.988 -2.779 -3.856 1.00 0.00 H new ATOM 1152 N THR A 80 -7.477 -6.722 -1.593 1.00 0.00 N ATOM 1153 CA THR A 80 -6.157 -7.180 -1.175 1.00 0.00 C ATOM 1154 C THR A 80 -5.061 -6.279 -1.731 1.00 0.00 C ATOM 1155 O THR A 80 -4.840 -6.228 -2.941 1.00 0.00 O ATOM 1156 CB THR A 80 -5.895 -8.628 -1.630 1.00 0.00 C ATOM 1157 OG1 THR A 80 -6.828 -9.515 -1.002 1.00 0.00 O ATOM 1158 CG2 THR A 80 -4.475 -9.054 -1.289 1.00 0.00 C ATOM 0 H THR A 80 -7.576 -6.582 -2.599 1.00 0.00 H new ATOM 0 HA THR A 80 -6.139 -7.140 -0.086 1.00 0.00 H new ATOM 0 HB THR A 80 -6.021 -8.674 -2.712 1.00 0.00 H new ATOM 0 HG1 THR A 80 -6.656 -10.433 -1.298 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.314 -10.080 -1.620 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.767 -8.395 -1.791 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.326 -8.993 -0.211 1.00 0.00 H new ATOM 1166 N CYS A 81 -4.377 -5.569 -0.840 1.00 0.00 N ATOM 1167 CA CYS A 81 -3.302 -4.669 -1.243 1.00 0.00 C ATOM 1168 C CYS A 81 -1.979 -5.418 -1.355 1.00 0.00 C ATOM 1169 O CYS A 81 -1.370 -5.780 -0.347 1.00 0.00 O ATOM 1170 CB CYS A 81 -3.169 -3.521 -0.241 1.00 0.00 C ATOM 1171 SG CYS A 81 -2.168 -2.136 -0.834 1.00 0.00 S ATOM 0 H CYS A 81 -4.548 -5.599 0.165 1.00 0.00 H new ATOM 0 HA CYS A 81 -3.551 -4.261 -2.222 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -4.164 -3.155 0.010 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -2.729 -3.905 0.679 1.00 0.00 H new ATOM 0 HG CYS A 81 -2.948 -1.169 -1.216 1.00 0.00 H new ATOM 1177 N LEU A 82 -1.539 -5.650 -2.587 1.00 0.00 N ATOM 1178 CA LEU A 82 -0.287 -6.358 -2.832 1.00 0.00 C ATOM 1179 C LEU A 82 0.859 -5.377 -3.054 1.00 0.00 C ATOM 1180 O LEU A 82 0.762 -4.469 -3.879 1.00 0.00 O ATOM 1181 CB LEU A 82 -0.428 -7.278 -4.046 1.00 0.00 C ATOM 1182 CG LEU A 82 0.864 -7.604 -4.795 1.00 0.00 C ATOM 1183 CD1 LEU A 82 1.855 -8.298 -3.873 1.00 0.00 C ATOM 1184 CD2 LEU A 82 0.572 -8.468 -6.013 1.00 0.00 C ATOM 0 H LEU A 82 -2.031 -5.358 -3.432 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.060 -6.960 -1.952 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.879 -8.214 -3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.124 -6.817 -4.747 1.00 0.00 H new ATOM 0 HG LEU A 82 1.309 -6.669 -5.136 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.769 -8.522 -4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.089 -7.645 -3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.418 -9.225 -3.501 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.504 -8.690 -6.534 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.104 -9.399 -5.695 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.101 -7.935 -6.685 1.00 0.00 H new ATOM 1196 N ALA A 83 1.946 -5.567 -2.312 1.00 0.00 N ATOM 1197 CA ALA A 83 3.112 -4.702 -2.431 1.00 0.00 C ATOM 1198 C ALA A 83 4.395 -5.520 -2.531 1.00 0.00 C ATOM 1199 O ALA A 83 4.903 -6.019 -1.528 1.00 0.00 O ATOM 1200 CB ALA A 83 3.184 -3.748 -1.248 1.00 0.00 C ATOM 0 H ALA A 83 2.042 -6.312 -1.623 1.00 0.00 H new ATOM 0 HA ALA A 83 3.010 -4.121 -3.348 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.060 -3.108 -1.350 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.285 -3.132 -1.222 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.258 -4.320 -0.323 1.00 0.00 H new ATOM 1206 N GLU A 84 4.912 -5.654 -3.749 1.00 0.00 N ATOM 1207 CA GLU A 84 6.136 -6.414 -3.979 1.00 0.00 C ATOM 1208 C GLU A 84 7.169 -5.571 -4.721 1.00 0.00 C ATOM 1209 O GLU A 84 6.830 -4.814 -5.630 1.00 0.00 O ATOM 1210 CB GLU A 84 5.831 -7.684 -4.776 1.00 0.00 C ATOM 1211 CG GLU A 84 5.531 -7.425 -6.243 1.00 0.00 C ATOM 1212 CD GLU A 84 5.477 -8.701 -7.061 1.00 0.00 C ATOM 1213 OE1 GLU A 84 6.550 -9.187 -7.474 1.00 0.00 O ATOM 1214 OE2 GLU A 84 4.360 -9.212 -7.288 1.00 0.00 O ATOM 0 H GLU A 84 4.503 -5.247 -4.590 1.00 0.00 H new ATOM 0 HA GLU A 84 6.548 -6.692 -3.009 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.681 -8.362 -4.702 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.979 -8.191 -4.324 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.578 -6.902 -6.328 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.295 -6.765 -6.655 1.00 0.00 H new ATOM 1221 N ASN A 85 8.430 -5.707 -4.324 1.00 0.00 N ATOM 1222 CA ASN A 85 9.513 -4.957 -4.950 1.00 0.00 C ATOM 1223 C ASN A 85 10.642 -5.889 -5.380 1.00 0.00 C ATOM 1224 O ASN A 85 10.524 -7.110 -5.282 1.00 0.00 O ATOM 1225 CB ASN A 85 10.050 -3.897 -3.987 1.00 0.00 C ATOM 1226 CG ASN A 85 10.765 -4.506 -2.797 1.00 0.00 C ATOM 1227 OD1 ASN A 85 10.910 -5.725 -2.703 1.00 0.00 O ATOM 1228 ND2 ASN A 85 11.217 -3.658 -1.880 1.00 0.00 N ATOM 0 H ASN A 85 8.727 -6.329 -3.572 1.00 0.00 H new ATOM 0 HA ASN A 85 9.115 -4.464 -5.837 1.00 0.00 H new ATOM 0 HB2 ASN A 85 10.735 -3.239 -4.521 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.224 -3.279 -3.634 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.707 -4.010 -1.057 1.00 0.00 H new ATOM 0 HD22 ASN A 85 11.075 -2.655 -1.999 1.00 0.00 H new ATOM 1235 N ALA A 86 11.736 -5.304 -5.856 1.00 0.00 N ATOM 1236 CA ALA A 86 12.887 -6.080 -6.298 1.00 0.00 C ATOM 1237 C ALA A 86 13.562 -6.780 -5.123 1.00 0.00 C ATOM 1238 O ALA A 86 14.528 -7.523 -5.301 1.00 0.00 O ATOM 1239 CB ALA A 86 13.881 -5.185 -7.023 1.00 0.00 C ATOM 0 H ALA A 86 11.849 -4.294 -5.945 1.00 0.00 H new ATOM 0 HA ALA A 86 12.533 -6.846 -6.989 1.00 0.00 H new ATOM 0 HB1 ALA A 86 14.736 -5.779 -7.347 1.00 0.00 H new ATOM 0 HB2 ALA A 86 13.400 -4.736 -7.892 1.00 0.00 H new ATOM 0 HB3 ALA A 86 14.220 -4.398 -6.350 1.00 0.00 H new ATOM 1245 N LEU A 87 13.048 -6.537 -3.922 1.00 0.00 N ATOM 1246 CA LEU A 87 13.602 -7.143 -2.716 1.00 0.00 C ATOM 1247 C LEU A 87 12.700 -8.262 -2.206 1.00 0.00 C ATOM 1248 O LEU A 87 13.002 -9.443 -2.376 1.00 0.00 O ATOM 1249 CB LEU A 87 13.785 -6.084 -1.627 1.00 0.00 C ATOM 1250 CG LEU A 87 15.105 -5.312 -1.657 1.00 0.00 C ATOM 1251 CD1 LEU A 87 15.034 -4.173 -2.662 1.00 0.00 C ATOM 1252 CD2 LEU A 87 15.445 -4.784 -0.271 1.00 0.00 C ATOM 0 H LEU A 87 12.249 -5.925 -3.757 1.00 0.00 H new ATOM 0 HA LEU A 87 14.573 -7.569 -2.966 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.967 -5.368 -1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 87 13.694 -6.571 -0.656 1.00 0.00 H new ATOM 0 HG LEU A 87 15.896 -5.994 -1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 87 15.982 -3.635 -2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 87 14.838 -4.576 -3.655 1.00 0.00 H new ATOM 0 HD13 LEU A 87 14.232 -3.490 -2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.387 -4.237 -0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 87 14.653 -4.117 0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 87 15.539 -5.619 0.423 1.00 0.00 H new ATOM 1264 N GLY A 88 11.589 -7.883 -1.582 1.00 0.00 N ATOM 1265 CA GLY A 88 10.659 -8.866 -1.059 1.00 0.00 C ATOM 1266 C GLY A 88 9.287 -8.764 -1.697 1.00 0.00 C ATOM 1267 O GLY A 88 9.122 -8.110 -2.726 1.00 0.00 O ATOM 0 H GLY A 88 11.316 -6.912 -1.429 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.060 -9.866 -1.225 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.565 -8.736 0.019 1.00 0.00 H new ATOM 1271 N GLN A 89 8.302 -9.412 -1.084 1.00 0.00 N ATOM 1272 CA GLN A 89 6.938 -9.392 -1.601 1.00 0.00 C ATOM 1273 C GLN A 89 5.937 -9.746 -0.506 1.00 0.00 C ATOM 1274 O GLN A 89 6.070 -10.769 0.165 1.00 0.00 O ATOM 1275 CB GLN A 89 6.799 -10.368 -2.770 1.00 0.00 C ATOM 1276 CG GLN A 89 6.476 -11.790 -2.341 1.00 0.00 C ATOM 1277 CD GLN A 89 5.021 -11.967 -1.955 1.00 0.00 C ATOM 1278 OE1 GLN A 89 4.710 -12.504 -0.891 1.00 0.00 O ATOM 1279 NE2 GLN A 89 4.119 -11.513 -2.818 1.00 0.00 N ATOM 0 H GLN A 89 8.422 -9.957 -0.230 1.00 0.00 H new ATOM 0 HA GLN A 89 6.724 -8.383 -1.952 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.015 -10.012 -3.438 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.727 -10.372 -3.341 1.00 0.00 H new ATOM 0 HG2 GLN A 89 6.718 -12.474 -3.154 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.108 -12.063 -1.496 1.00 0.00 H new ATOM 0 HE21 GLN A 89 4.421 -11.075 -3.688 1.00 0.00 H new ATOM 0 HE22 GLN A 89 3.124 -11.603 -2.611 1.00 0.00 H new ATOM 1288 N VAL A 90 4.933 -8.892 -0.331 1.00 0.00 N ATOM 1289 CA VAL A 90 3.908 -9.115 0.682 1.00 0.00 C ATOM 1290 C VAL A 90 2.525 -8.748 0.154 1.00 0.00 C ATOM 1291 O VAL A 90 2.391 -7.899 -0.727 1.00 0.00 O ATOM 1292 CB VAL A 90 4.192 -8.299 1.957 1.00 0.00 C ATOM 1293 CG1 VAL A 90 5.557 -8.655 2.526 1.00 0.00 C ATOM 1294 CG2 VAL A 90 4.098 -6.808 1.667 1.00 0.00 C ATOM 0 H VAL A 90 4.808 -8.040 -0.877 1.00 0.00 H new ATOM 0 HA VAL A 90 3.930 -10.177 0.927 1.00 0.00 H new ATOM 0 HB VAL A 90 3.438 -8.549 2.703 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.740 -8.069 3.426 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.583 -9.716 2.773 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.328 -8.435 1.787 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.301 -6.246 2.579 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.829 -6.539 0.904 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.096 -6.569 1.310 1.00 0.00 H new ATOM 1304 N SER A 91 1.499 -9.394 0.699 1.00 0.00 N ATOM 1305 CA SER A 91 0.126 -9.138 0.281 1.00 0.00 C ATOM 1306 C SER A 91 -0.834 -9.273 1.459 1.00 0.00 C ATOM 1307 O SER A 91 -0.759 -10.232 2.229 1.00 0.00 O ATOM 1308 CB SER A 91 -0.278 -10.104 -0.835 1.00 0.00 C ATOM 1309 OG SER A 91 -0.809 -11.305 -0.302 1.00 0.00 O ATOM 0 H SER A 91 1.593 -10.098 1.431 1.00 0.00 H new ATOM 0 HA SER A 91 0.071 -8.116 -0.095 1.00 0.00 H new ATOM 0 HB2 SER A 91 -1.018 -9.630 -1.480 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.589 -10.330 -1.456 1.00 0.00 H new ATOM 0 HG SER A 91 -1.061 -11.905 -1.035 1.00 0.00 H new ATOM 1315 N CYS A 92 -1.736 -8.307 1.592 1.00 0.00 N ATOM 1316 CA CYS A 92 -2.712 -8.317 2.676 1.00 0.00 C ATOM 1317 C CYS A 92 -4.134 -8.239 2.129 1.00 0.00 C ATOM 1318 O CYS A 92 -4.459 -7.349 1.343 1.00 0.00 O ATOM 1319 CB CYS A 92 -2.455 -7.150 3.631 1.00 0.00 C ATOM 1320 SG CYS A 92 -2.778 -5.523 2.912 1.00 0.00 S ATOM 0 H CYS A 92 -1.812 -7.507 0.963 1.00 0.00 H new ATOM 0 HA CYS A 92 -2.603 -9.255 3.221 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -3.079 -7.275 4.516 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -1.418 -7.189 3.964 1.00 0.00 H new ATOM 0 HG CYS A 92 -3.633 -5.640 1.940 1.00 0.00 H new ATOM 1326 N SER A 93 -4.976 -9.177 2.549 1.00 0.00 N ATOM 1327 CA SER A 93 -6.362 -9.218 2.097 1.00 0.00 C ATOM 1328 C SER A 93 -7.286 -8.558 3.116 1.00 0.00 C ATOM 1329 O SER A 93 -6.939 -8.425 4.289 1.00 0.00 O ATOM 1330 CB SER A 93 -6.800 -10.664 1.856 1.00 0.00 C ATOM 1331 OG SER A 93 -6.929 -11.368 3.079 1.00 0.00 O ATOM 0 H SER A 93 -4.723 -9.919 3.202 1.00 0.00 H new ATOM 0 HA SER A 93 -6.429 -8.665 1.160 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.751 -10.675 1.324 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.072 -11.166 1.219 1.00 0.00 H new ATOM 0 HG SER A 93 -7.211 -12.289 2.898 1.00 0.00 H new ATOM 1337 N ALA A 94 -8.463 -8.146 2.658 1.00 0.00 N ATOM 1338 CA ALA A 94 -9.439 -7.502 3.529 1.00 0.00 C ATOM 1339 C ALA A 94 -10.863 -7.795 3.070 1.00 0.00 C ATOM 1340 O ALA A 94 -11.088 -8.179 1.922 1.00 0.00 O ATOM 1341 CB ALA A 94 -9.196 -6.001 3.574 1.00 0.00 C ATOM 0 H ALA A 94 -8.764 -8.247 1.689 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.318 -7.910 4.533 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -9.932 -5.533 4.228 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.194 -5.806 3.957 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.288 -5.587 2.570 1.00 0.00 H new ATOM 1347 N TRP A 95 -11.820 -7.614 3.973 1.00 0.00 N ATOM 1348 CA TRP A 95 -13.223 -7.860 3.660 1.00 0.00 C ATOM 1349 C TRP A 95 -14.046 -6.586 3.811 1.00 0.00 C ATOM 1350 O TRP A 95 -14.057 -5.965 4.873 1.00 0.00 O ATOM 1351 CB TRP A 95 -13.784 -8.955 4.568 1.00 0.00 C ATOM 1352 CG TRP A 95 -15.030 -9.592 4.031 1.00 0.00 C ATOM 1353 CD1 TRP A 95 -16.318 -9.217 4.287 1.00 0.00 C ATOM 1354 CD2 TRP A 95 -15.106 -10.716 3.147 1.00 0.00 C ATOM 1355 NE1 TRP A 95 -17.190 -10.040 3.617 1.00 0.00 N ATOM 1356 CE2 TRP A 95 -16.472 -10.967 2.909 1.00 0.00 C ATOM 1357 CE3 TRP A 95 -14.154 -11.533 2.532 1.00 0.00 C ATOM 1358 CZ2 TRP A 95 -16.905 -12.002 2.084 1.00 0.00 C ATOM 1359 CZ3 TRP A 95 -14.585 -12.559 1.714 1.00 0.00 C ATOM 1360 CH2 TRP A 95 -15.951 -12.786 1.495 1.00 0.00 C ATOM 0 H TRP A 95 -11.650 -7.298 4.928 1.00 0.00 H new ATOM 0 HA TRP A 95 -13.286 -8.190 2.623 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -13.024 -9.723 4.710 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -13.996 -8.530 5.549 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -16.608 -8.394 4.923 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -18.207 -9.972 3.643 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -13.099 -11.365 2.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -17.957 -12.180 1.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -13.857 -13.197 1.235 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -16.256 -13.596 0.849 1.00 0.00 H new ATOM 1371 N VAL A 96 -14.735 -6.201 2.741 1.00 0.00 N ATOM 1372 CA VAL A 96 -15.562 -5.001 2.755 1.00 0.00 C ATOM 1373 C VAL A 96 -17.008 -5.327 2.398 1.00 0.00 C ATOM 1374 O VAL A 96 -17.296 -5.812 1.304 1.00 0.00 O ATOM 1375 CB VAL A 96 -15.029 -3.940 1.773 1.00 0.00 C ATOM 1376 CG1 VAL A 96 -16.038 -2.815 1.604 1.00 0.00 C ATOM 1377 CG2 VAL A 96 -13.690 -3.400 2.250 1.00 0.00 C ATOM 0 H VAL A 96 -14.736 -6.703 1.853 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.522 -4.600 3.768 1.00 0.00 H new ATOM 0 HB VAL A 96 -14.880 -4.410 0.801 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -15.645 -2.075 0.907 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -16.972 -3.220 1.215 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -16.222 -2.343 2.569 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -13.327 -2.652 1.545 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.811 -2.944 3.233 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -12.971 -4.216 2.314 1.00 0.00 H new ATOM 1387 N THR A 97 -17.917 -5.055 3.330 1.00 0.00 N ATOM 1388 CA THR A 97 -19.334 -5.320 3.115 1.00 0.00 C ATOM 1389 C THR A 97 -20.096 -4.031 2.827 1.00 0.00 C ATOM 1390 O THR A 97 -19.984 -3.053 3.565 1.00 0.00 O ATOM 1391 CB THR A 97 -19.967 -6.015 4.335 1.00 0.00 C ATOM 1392 OG1 THR A 97 -19.049 -6.962 4.891 1.00 0.00 O ATOM 1393 CG2 THR A 97 -21.258 -6.720 3.947 1.00 0.00 C ATOM 0 H THR A 97 -17.697 -4.651 4.241 1.00 0.00 H new ATOM 0 HA THR A 97 -19.405 -5.982 2.252 1.00 0.00 H new ATOM 0 HB THR A 97 -20.197 -5.253 5.080 1.00 0.00 H new ATOM 0 HG1 THR A 97 -19.459 -7.398 5.667 1.00 0.00 H new ATOM 0 HG21 THR A 97 -21.687 -7.203 4.825 1.00 0.00 H new ATOM 0 HG22 THR A 97 -21.966 -5.991 3.552 1.00 0.00 H new ATOM 0 HG23 THR A 97 -21.048 -7.471 3.186 1.00 0.00 H new ATOM 1401 N VAL A 98 -20.873 -4.037 1.748 1.00 0.00 N ATOM 1402 CA VAL A 98 -21.656 -2.869 1.363 1.00 0.00 C ATOM 1403 C VAL A 98 -23.145 -3.106 1.589 1.00 0.00 C ATOM 1404 O VAL A 98 -23.770 -3.904 0.891 1.00 0.00 O ATOM 1405 CB VAL A 98 -21.424 -2.501 -0.115 1.00 0.00 C ATOM 1406 CG1 VAL A 98 -22.186 -1.235 -0.475 1.00 0.00 C ATOM 1407 CG2 VAL A 98 -19.938 -2.337 -0.396 1.00 0.00 C ATOM 0 H VAL A 98 -20.977 -4.838 1.125 1.00 0.00 H new ATOM 0 HA VAL A 98 -21.324 -2.043 1.992 1.00 0.00 H new ATOM 0 HB VAL A 98 -21.800 -3.313 -0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -22.010 -0.990 -1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -23.252 -1.394 -0.313 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -21.842 -0.413 0.152 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -19.792 -2.077 -1.445 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -19.534 -1.544 0.234 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -19.421 -3.272 -0.179 1.00 0.00 H new ATOM 1417 N HIS A 99 -23.707 -2.407 2.570 1.00 0.00 N ATOM 1418 CA HIS A 99 -25.124 -2.540 2.888 1.00 0.00 C ATOM 1419 C HIS A 99 -25.984 -2.289 1.653 1.00 0.00 C ATOM 1420 O HIS A 99 -27.049 -2.888 1.494 1.00 0.00 O ATOM 1421 CB HIS A 99 -25.513 -1.565 4.000 1.00 0.00 C ATOM 1422 CG HIS A 99 -24.733 -1.758 5.265 1.00 0.00 C ATOM 1423 ND1 HIS A 99 -24.819 -2.899 6.035 1.00 0.00 N ATOM 1424 CD2 HIS A 99 -23.848 -0.948 5.891 1.00 0.00 C ATOM 1425 CE1 HIS A 99 -24.021 -2.781 7.082 1.00 0.00 C ATOM 1426 NE2 HIS A 99 -23.420 -1.607 7.018 1.00 0.00 N ATOM 0 H HIS A 99 -23.203 -1.743 3.158 1.00 0.00 H new ATOM 0 HA HIS A 99 -25.299 -3.560 3.231 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -25.367 -0.545 3.645 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -26.575 -1.679 4.217 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -23.536 0.033 5.565 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -23.884 -3.519 7.858 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -22.747 -1.248 7.695 1.00 0.00 H new TER 1435 HIS A 99