USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 643 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 HIS : no HD1:sc= 0.187 K(o=0.19,f=-2.8!) USER MOD Single : A 1 HIS N :NH3+ -142:sc= 1.14 (180deg=0.397) USER MOD Single : A 2 SER OG : rot -146:sc= 1.24 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 HIS : no HD1:sc= -0.0376 X(o=-0.038,f=-0.038) USER MOD Single : A 13 MET CE :methyl -142:sc= 0 (180deg=-0.114) USER MOD Single : A 18 SER OG : rot 28:sc= -1.05 USER MOD Single : A 26 LYS NZ :NH3+ -145:sc= -3.03! (180deg=-6.04!) USER MOD Single : A 30 LYS NZ :NH3+ 168:sc= -0.0312 (180deg=-0.258) USER MOD Single : A 31 MET CE :methyl 162:sc= -0.117 (180deg=-0.663) USER MOD Single : A 34 THR OG1 : rot 144:sc= 0.383 USER MOD Single : A 36 ASN : amide:sc= -1.07 K(o=-1.1,f=-3.7) USER MOD Single : A 39 THR OG1 : rot 25:sc= 0.164 USER MOD Single : A 41 THR OG1 : rot 180:sc= -1.94! USER MOD Single : A 46 LYS NZ :NH3+ -163:sc= -2! (180deg=-2.89!) USER MOD Single : A 50 LYS NZ :NH3+ 165:sc= -0.0181 (180deg=-0.277) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 159:sc= -0.142 (180deg=-0.653) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -166:sc= -0.0201 (180deg=-0.234) USER MOD Single : A 65 MET CE :methyl -125:sc= -0.833 (180deg=-1.97) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -86:sc= 1.13 USER MOD Single : A 75 THR OG1 : rot 24:sc= -1.12 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0253 USER MOD Single : A 87 HIS : no HD1:sc= -0.72 K(o=-0.72,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -36.182 -7.427 1.828 1.00 0.00 N ATOM 2 CA HIS A 1 -34.804 -7.893 2.131 1.00 0.00 C ATOM 3 C HIS A 1 -33.770 -7.135 1.303 1.00 0.00 C ATOM 4 O HIS A 1 -34.118 -6.408 0.373 1.00 0.00 O ATOM 5 CB HIS A 1 -34.721 -9.393 1.840 1.00 0.00 C ATOM 6 CG HIS A 1 -35.044 -9.751 0.421 1.00 0.00 C ATOM 7 ND1 HIS A 1 -36.270 -9.498 -0.160 1.00 0.00 N ATOM 8 CD2 HIS A 1 -34.292 -10.345 -0.536 1.00 0.00 C ATOM 9 CE1 HIS A 1 -36.258 -9.923 -1.411 1.00 0.00 C ATOM 10 NE2 HIS A 1 -35.070 -10.440 -1.663 1.00 0.00 N ATOM 0 H1 HIS A 1 -36.743 -7.408 2.704 1.00 0.00 H new ATOM 0 H2 HIS A 1 -36.143 -6.471 1.421 1.00 0.00 H new ATOM 0 H3 HIS A 1 -36.626 -8.075 1.147 1.00 0.00 H new ATOM 0 HA HIS A 1 -34.585 -7.702 3.182 1.00 0.00 H new ATOM 0 HB2 HIS A 1 -33.716 -9.744 2.074 1.00 0.00 H new ATOM 0 HB3 HIS A 1 -35.406 -9.921 2.503 1.00 0.00 H new ATOM 0 HD2 HIS A 1 -33.271 -10.681 -0.432 1.00 0.00 H new ATOM 0 HE1 HIS A 1 -37.080 -9.858 -2.108 1.00 0.00 H new ATOM 0 HE2 HIS A 1 -34.777 -10.845 -2.552 1.00 0.00 H new ATOM 21 N SER A 2 -32.497 -7.309 1.651 1.00 0.00 N ATOM 22 CA SER A 2 -31.411 -6.640 0.942 1.00 0.00 C ATOM 23 C SER A 2 -30.905 -7.497 -0.214 1.00 0.00 C ATOM 24 O SER A 2 -31.193 -8.693 -0.286 1.00 0.00 O ATOM 25 CB SER A 2 -30.262 -6.329 1.903 1.00 0.00 C ATOM 26 OG SER A 2 -30.699 -5.506 2.970 1.00 0.00 O ATOM 0 H SER A 2 -32.193 -7.907 2.419 1.00 0.00 H new ATOM 0 HA SER A 2 -31.798 -5.706 0.535 1.00 0.00 H new ATOM 0 HB2 SER A 2 -29.854 -7.259 2.300 1.00 0.00 H new ATOM 0 HB3 SER A 2 -29.456 -5.832 1.363 1.00 0.00 H new ATOM 0 HG SER A 2 -29.977 -4.897 3.230 1.00 0.00 H new ATOM 32 N SER A 3 -30.149 -6.878 -1.116 1.00 0.00 N ATOM 33 CA SER A 3 -29.600 -7.580 -2.271 1.00 0.00 C ATOM 34 C SER A 3 -28.267 -8.239 -1.927 1.00 0.00 C ATOM 35 O SER A 3 -27.661 -8.908 -2.764 1.00 0.00 O ATOM 36 CB SER A 3 -29.415 -6.613 -3.442 1.00 0.00 C ATOM 37 OG SER A 3 -30.651 -6.035 -3.825 1.00 0.00 O ATOM 0 H SER A 3 -29.902 -5.889 -1.069 1.00 0.00 H new ATOM 0 HA SER A 3 -30.306 -8.359 -2.559 1.00 0.00 H new ATOM 0 HB2 SER A 3 -28.714 -5.827 -3.162 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.979 -7.142 -4.289 1.00 0.00 H new ATOM 0 HG SER A 3 -30.506 -5.420 -4.574 1.00 0.00 H new ATOM 43 N GLY A 4 -27.818 -8.045 -0.690 1.00 0.00 N ATOM 44 CA GLY A 4 -26.560 -8.626 -0.257 1.00 0.00 C ATOM 45 C GLY A 4 -25.468 -7.589 -0.087 1.00 0.00 C ATOM 46 O GLY A 4 -24.356 -7.913 0.329 1.00 0.00 O ATOM 0 H GLY A 4 -28.303 -7.496 0.020 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.711 -9.148 0.688 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.238 -9.371 -0.985 1.00 0.00 H new ATOM 50 N HIS A 5 -25.784 -6.339 -0.411 1.00 0.00 N ATOM 51 CA HIS A 5 -24.820 -5.251 -0.292 1.00 0.00 C ATOM 52 C HIS A 5 -25.198 -4.307 0.845 1.00 0.00 C ATOM 53 O HIS A 5 -24.437 -4.132 1.798 1.00 0.00 O ATOM 54 CB HIS A 5 -24.727 -4.477 -1.608 1.00 0.00 C ATOM 55 CG HIS A 5 -24.245 -5.307 -2.756 1.00 0.00 C ATOM 56 ND1 HIS A 5 -23.017 -5.935 -2.768 1.00 0.00 N ATOM 57 CD2 HIS A 5 -24.832 -5.612 -3.938 1.00 0.00 C ATOM 58 CE1 HIS A 5 -22.869 -6.588 -3.906 1.00 0.00 C ATOM 59 NE2 HIS A 5 -23.956 -6.409 -4.633 1.00 0.00 N ATOM 0 H HIS A 5 -26.700 -6.055 -0.758 1.00 0.00 H new ATOM 0 HA HIS A 5 -23.846 -5.686 -0.066 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -25.709 -4.070 -1.851 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -24.055 -3.630 -1.475 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -25.807 -5.289 -4.272 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -22.005 -7.170 -4.193 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -24.119 -6.800 -5.561 1.00 0.00 H new ATOM 68 N ILE A 6 -26.377 -3.701 0.742 1.00 0.00 N ATOM 69 CA ILE A 6 -26.852 -2.778 1.766 1.00 0.00 C ATOM 70 C ILE A 6 -27.341 -3.535 2.997 1.00 0.00 C ATOM 71 O ILE A 6 -28.518 -3.881 3.100 1.00 0.00 O ATOM 72 CB ILE A 6 -27.989 -1.881 1.233 1.00 0.00 C ATOM 73 CG1 ILE A 6 -27.512 -1.073 0.021 1.00 0.00 C ATOM 74 CG2 ILE A 6 -28.499 -0.954 2.329 1.00 0.00 C ATOM 75 CD1 ILE A 6 -26.361 -0.135 0.322 1.00 0.00 C ATOM 0 H ILE A 6 -27.020 -3.833 -0.039 1.00 0.00 H new ATOM 0 HA ILE A 6 -26.008 -2.146 2.044 1.00 0.00 H new ATOM 0 HB ILE A 6 -28.812 -2.521 0.916 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -27.209 -1.763 -0.767 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -28.348 -0.493 -0.368 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -29.300 -0.330 1.934 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -28.878 -1.548 3.161 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -27.684 -0.320 2.678 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -26.081 0.400 -0.585 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -26.665 0.580 1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -25.508 -0.710 0.682 1.00 0.00 H new ATOM 87 N ASP A 7 -26.428 -3.791 3.929 1.00 0.00 N ATOM 88 CA ASP A 7 -26.764 -4.507 5.154 1.00 0.00 C ATOM 89 C ASP A 7 -26.128 -3.836 6.366 1.00 0.00 C ATOM 90 O ASP A 7 -26.818 -3.224 7.182 1.00 0.00 O ATOM 91 CB ASP A 7 -26.303 -5.964 5.067 1.00 0.00 C ATOM 92 CG ASP A 7 -26.969 -6.720 3.934 1.00 0.00 C ATOM 93 OD1 ASP A 7 -26.767 -6.336 2.763 1.00 0.00 O ATOM 94 OD2 ASP A 7 -27.695 -7.697 4.218 1.00 0.00 O ATOM 0 H ASP A 7 -25.449 -3.513 3.859 1.00 0.00 H new ATOM 0 HA ASP A 7 -27.848 -4.483 5.270 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -25.222 -5.992 4.931 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -26.519 -6.466 6.010 1.00 0.00 H new ATOM 99 N ASP A 8 -24.808 -3.955 6.478 1.00 0.00 N ATOM 100 CA ASP A 8 -24.078 -3.361 7.591 1.00 0.00 C ATOM 101 C ASP A 8 -23.556 -1.973 7.221 1.00 0.00 C ATOM 102 O ASP A 8 -24.320 -1.008 7.178 1.00 0.00 O ATOM 103 CB ASP A 8 -22.924 -4.272 8.015 1.00 0.00 C ATOM 104 CG ASP A 8 -23.402 -5.645 8.447 1.00 0.00 C ATOM 105 OD1 ASP A 8 -24.191 -5.722 9.413 1.00 0.00 O ATOM 106 OD2 ASP A 8 -22.989 -6.642 7.819 1.00 0.00 O ATOM 0 H ASP A 8 -24.223 -4.458 5.811 1.00 0.00 H new ATOM 0 HA ASP A 8 -24.764 -3.252 8.431 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -22.224 -4.378 7.186 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -22.378 -3.805 8.835 1.00 0.00 H new ATOM 111 N ASP A 9 -22.255 -1.875 6.951 1.00 0.00 N ATOM 112 CA ASP A 9 -21.644 -0.602 6.584 1.00 0.00 C ATOM 113 C ASP A 9 -20.200 -0.803 6.134 1.00 0.00 C ATOM 114 O ASP A 9 -19.403 0.136 6.137 1.00 0.00 O ATOM 115 CB ASP A 9 -21.694 0.374 7.763 1.00 0.00 C ATOM 116 CG ASP A 9 -20.944 -0.144 8.976 1.00 0.00 C ATOM 117 OD1 ASP A 9 -21.323 -1.213 9.498 1.00 0.00 O ATOM 118 OD2 ASP A 9 -19.976 0.521 9.403 1.00 0.00 O ATOM 0 H ASP A 9 -21.606 -2.661 6.980 1.00 0.00 H new ATOM 0 HA ASP A 9 -22.210 -0.182 5.753 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -21.269 1.330 7.458 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -22.733 0.559 8.034 1.00 0.00 H new ATOM 123 N ASP A 10 -19.871 -2.032 5.748 1.00 0.00 N ATOM 124 CA ASP A 10 -18.521 -2.356 5.295 1.00 0.00 C ATOM 125 C ASP A 10 -18.428 -2.299 3.775 1.00 0.00 C ATOM 126 O ASP A 10 -17.358 -2.058 3.216 1.00 0.00 O ATOM 127 CB ASP A 10 -18.111 -3.744 5.791 1.00 0.00 C ATOM 128 CG ASP A 10 -18.111 -3.841 7.305 1.00 0.00 C ATOM 129 OD1 ASP A 10 -19.183 -3.637 7.913 1.00 0.00 O ATOM 130 OD2 ASP A 10 -17.039 -4.122 7.881 1.00 0.00 O ATOM 0 H ASP A 10 -20.519 -2.819 5.740 1.00 0.00 H new ATOM 0 HA ASP A 10 -17.839 -1.614 5.711 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -18.793 -4.489 5.382 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -17.116 -3.982 5.414 1.00 0.00 H new ATOM 135 N LYS A 11 -19.557 -2.522 3.114 1.00 0.00 N ATOM 136 CA LYS A 11 -19.611 -2.497 1.656 1.00 0.00 C ATOM 137 C LYS A 11 -19.862 -1.082 1.146 1.00 0.00 C ATOM 138 O LYS A 11 -19.605 -0.777 -0.019 1.00 0.00 O ATOM 139 CB LYS A 11 -20.708 -3.434 1.148 1.00 0.00 C ATOM 140 CG LYS A 11 -20.493 -4.891 1.526 1.00 0.00 C ATOM 141 CD LYS A 11 -19.226 -5.450 0.898 1.00 0.00 C ATOM 142 CE LYS A 11 -19.034 -6.918 1.241 1.00 0.00 C ATOM 143 NZ LYS A 11 -17.810 -7.482 0.608 1.00 0.00 N ATOM 0 H LYS A 11 -20.450 -2.723 3.565 1.00 0.00 H new ATOM 0 HA LYS A 11 -18.647 -2.837 1.277 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -21.668 -3.103 1.544 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -20.767 -3.355 0.062 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -20.433 -4.981 2.611 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -21.351 -5.482 1.204 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -19.273 -5.332 -0.185 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -18.365 -4.879 1.244 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -18.968 -7.032 2.323 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -19.906 -7.484 0.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.716 -8.485 0.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -17.883 -7.397 -0.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -16.975 -6.959 0.940 1.00 0.00 H new ATOM 157 N HIS A 12 -20.368 -0.222 2.026 1.00 0.00 N ATOM 158 CA HIS A 12 -20.657 1.161 1.665 1.00 0.00 C ATOM 159 C HIS A 12 -19.399 2.020 1.763 1.00 0.00 C ATOM 160 O HIS A 12 -19.352 3.132 1.238 1.00 0.00 O ATOM 161 CB HIS A 12 -21.754 1.729 2.568 1.00 0.00 C ATOM 162 CG HIS A 12 -22.192 3.109 2.184 1.00 0.00 C ATOM 163 ND1 HIS A 12 -22.722 3.413 0.947 1.00 0.00 N ATOM 164 CD2 HIS A 12 -22.179 4.270 2.881 1.00 0.00 C ATOM 165 CE1 HIS A 12 -23.014 4.700 0.900 1.00 0.00 C ATOM 166 NE2 HIS A 12 -22.694 5.243 2.060 1.00 0.00 N ATOM 0 H HIS A 12 -20.586 -0.459 2.994 1.00 0.00 H new ATOM 0 HA HIS A 12 -21.007 1.178 0.633 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -22.616 1.063 2.541 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -21.394 1.744 3.597 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -21.829 4.405 3.894 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -23.442 5.220 0.056 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -22.810 6.226 2.307 1.00 0.00 H new ATOM 175 N MET A 13 -18.382 1.496 2.441 1.00 0.00 N ATOM 176 CA MET A 13 -17.123 2.214 2.607 1.00 0.00 C ATOM 177 C MET A 13 -16.498 2.546 1.256 1.00 0.00 C ATOM 178 O MET A 13 -15.776 3.534 1.123 1.00 0.00 O ATOM 179 CB MET A 13 -16.143 1.389 3.444 1.00 0.00 C ATOM 180 CG MET A 13 -16.609 1.152 4.871 1.00 0.00 C ATOM 181 SD MET A 13 -15.411 0.222 5.845 1.00 0.00 S ATOM 182 CE MET A 13 -16.213 0.212 7.445 1.00 0.00 C ATOM 0 H MET A 13 -18.405 0.577 2.884 1.00 0.00 H new ATOM 0 HA MET A 13 -17.338 3.148 3.127 1.00 0.00 H new ATOM 0 HB2 MET A 13 -15.985 0.426 2.958 1.00 0.00 H new ATOM 0 HB3 MET A 13 -15.179 1.898 3.465 1.00 0.00 H new ATOM 0 HG2 MET A 13 -16.797 2.112 5.352 1.00 0.00 H new ATOM 0 HG3 MET A 13 -17.556 0.613 4.855 1.00 0.00 H new ATOM 0 HE1 MET A 13 -15.463 0.324 8.228 1.00 0.00 H new ATOM 0 HE2 MET A 13 -16.923 1.037 7.501 1.00 0.00 H new ATOM 0 HE3 MET A 13 -16.742 -0.731 7.581 1.00 0.00 H new ATOM 192 N ALA A 14 -16.782 1.717 0.256 1.00 0.00 N ATOM 193 CA ALA A 14 -16.246 1.929 -1.084 1.00 0.00 C ATOM 194 C ALA A 14 -16.868 3.160 -1.733 1.00 0.00 C ATOM 195 O ALA A 14 -16.305 3.736 -2.664 1.00 0.00 O ATOM 196 CB ALA A 14 -16.482 0.700 -1.949 1.00 0.00 C ATOM 0 H ALA A 14 -17.378 0.895 0.348 1.00 0.00 H new ATOM 0 HA ALA A 14 -15.173 2.097 -0.997 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -16.077 0.873 -2.946 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -15.987 -0.161 -1.501 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -17.552 0.506 -2.021 1.00 0.00 H new ATOM 202 N GLU A 15 -18.034 3.558 -1.233 1.00 0.00 N ATOM 203 CA GLU A 15 -18.738 4.722 -1.761 1.00 0.00 C ATOM 204 C GLU A 15 -18.238 6.006 -1.108 1.00 0.00 C ATOM 205 O GLU A 15 -18.390 7.095 -1.662 1.00 0.00 O ATOM 206 CB GLU A 15 -20.245 4.578 -1.540 1.00 0.00 C ATOM 207 CG GLU A 15 -20.846 3.343 -2.196 1.00 0.00 C ATOM 208 CD GLU A 15 -20.752 3.371 -3.711 1.00 0.00 C ATOM 209 OE1 GLU A 15 -20.266 4.381 -4.262 1.00 0.00 O ATOM 210 OE2 GLU A 15 -21.173 2.382 -4.348 1.00 0.00 O ATOM 0 H GLU A 15 -18.512 3.091 -0.462 1.00 0.00 H new ATOM 0 HA GLU A 15 -18.538 4.779 -2.831 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -20.444 4.542 -0.469 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -20.746 5.465 -1.928 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -20.336 2.455 -1.822 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -21.893 3.256 -1.904 1.00 0.00 H new ATOM 217 N ARG A 16 -17.641 5.869 0.071 1.00 0.00 N ATOM 218 CA ARG A 16 -17.118 7.018 0.801 1.00 0.00 C ATOM 219 C ARG A 16 -15.859 7.563 0.127 1.00 0.00 C ATOM 220 O ARG A 16 -15.933 8.153 -0.951 1.00 0.00 O ATOM 221 CB ARG A 16 -16.829 6.638 2.255 1.00 0.00 C ATOM 222 CG ARG A 16 -18.069 6.237 3.037 1.00 0.00 C ATOM 223 CD ARG A 16 -17.727 5.881 4.474 1.00 0.00 C ATOM 224 NE ARG A 16 -18.916 5.562 5.261 1.00 0.00 N ATOM 225 CZ ARG A 16 -18.880 5.219 6.546 1.00 0.00 C ATOM 226 NH1 ARG A 16 -17.718 5.138 7.182 1.00 0.00 N ATOM 227 NH2 ARG A 16 -20.005 4.955 7.197 1.00 0.00 N ATOM 0 H ARG A 16 -17.507 4.974 0.541 1.00 0.00 H new ATOM 0 HA ARG A 16 -17.874 7.803 0.791 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -16.117 5.813 2.271 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -16.352 7.481 2.754 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -18.789 7.055 3.025 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -18.546 5.385 2.553 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -17.047 5.029 4.484 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -17.199 6.715 4.937 1.00 0.00 H new ATOM 0 HE ARG A 16 -19.825 5.605 4.799 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -16.850 5.339 6.686 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -17.693 4.875 8.167 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -20.901 5.015 6.713 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -19.975 4.692 8.182 1.00 0.00 H new ATOM 241 N LEU A 17 -14.703 7.364 0.760 1.00 0.00 N ATOM 242 CA LEU A 17 -13.444 7.841 0.204 1.00 0.00 C ATOM 243 C LEU A 17 -12.986 6.948 -0.946 1.00 0.00 C ATOM 244 O LEU A 17 -13.369 5.780 -1.027 1.00 0.00 O ATOM 245 CB LEU A 17 -12.370 7.922 1.300 1.00 0.00 C ATOM 246 CG LEU A 17 -12.171 6.653 2.139 1.00 0.00 C ATOM 247 CD1 LEU A 17 -11.472 5.569 1.334 1.00 0.00 C ATOM 248 CD2 LEU A 17 -11.381 6.970 3.400 1.00 0.00 C ATOM 0 H LEU A 17 -14.616 6.878 1.653 1.00 0.00 H new ATOM 0 HA LEU A 17 -13.601 8.843 -0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.419 8.177 0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.625 8.742 1.972 1.00 0.00 H new ATOM 0 HG LEU A 17 -13.154 6.280 2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -11.344 4.681 1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -12.075 5.319 0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.496 5.929 1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.248 6.060 3.985 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.405 7.371 3.127 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.923 7.706 3.993 1.00 0.00 H new ATOM 260 N SER A 18 -12.174 7.506 -1.838 1.00 0.00 N ATOM 261 CA SER A 18 -11.674 6.760 -2.987 1.00 0.00 C ATOM 262 C SER A 18 -10.522 5.843 -2.589 1.00 0.00 C ATOM 263 O SER A 18 -9.352 6.212 -2.704 1.00 0.00 O ATOM 264 CB SER A 18 -11.224 7.722 -4.089 1.00 0.00 C ATOM 265 OG SER A 18 -10.207 8.593 -3.625 1.00 0.00 O ATOM 0 H SER A 18 -11.848 8.471 -1.787 1.00 0.00 H new ATOM 0 HA SER A 18 -12.487 6.140 -3.365 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.858 7.154 -4.944 1.00 0.00 H new ATOM 0 HB3 SER A 18 -12.076 8.306 -4.436 1.00 0.00 H new ATOM 0 HG SER A 18 -9.703 8.155 -2.908 1.00 0.00 H new ATOM 271 N GLU A 19 -10.859 4.643 -2.126 1.00 0.00 N ATOM 272 CA GLU A 19 -9.850 3.673 -1.718 1.00 0.00 C ATOM 273 C GLU A 19 -9.277 2.954 -2.934 1.00 0.00 C ATOM 274 O GLU A 19 -8.275 2.246 -2.835 1.00 0.00 O ATOM 275 CB GLU A 19 -10.446 2.656 -0.743 1.00 0.00 C ATOM 276 CG GLU A 19 -11.574 1.829 -1.338 1.00 0.00 C ATOM 277 CD GLU A 19 -12.132 0.816 -0.357 1.00 0.00 C ATOM 278 OE1 GLU A 19 -11.359 -0.049 0.106 1.00 0.00 O ATOM 279 OE2 GLU A 19 -13.341 0.888 -0.052 1.00 0.00 O ATOM 0 H GLU A 19 -11.821 4.320 -2.024 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.045 4.210 -1.216 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.656 1.986 -0.403 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.818 3.183 0.136 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.374 2.493 -1.664 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.211 1.309 -2.224 1.00 0.00 H new ATOM 286 N GLU A 20 -9.924 3.144 -4.080 1.00 0.00 N ATOM 287 CA GLU A 20 -9.484 2.518 -5.321 1.00 0.00 C ATOM 288 C GLU A 20 -8.105 3.028 -5.726 1.00 0.00 C ATOM 289 O GLU A 20 -7.413 2.405 -6.532 1.00 0.00 O ATOM 290 CB GLU A 20 -10.493 2.791 -6.438 1.00 0.00 C ATOM 291 CG GLU A 20 -10.690 4.270 -6.730 1.00 0.00 C ATOM 292 CD GLU A 20 -11.698 4.515 -7.835 1.00 0.00 C ATOM 293 OE1 GLU A 20 -12.867 4.106 -7.674 1.00 0.00 O ATOM 294 OE2 GLU A 20 -11.319 5.118 -8.861 1.00 0.00 O ATOM 0 H GLU A 20 -10.756 3.727 -4.174 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.419 1.443 -5.156 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.160 2.291 -7.347 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.453 2.352 -6.165 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.021 4.775 -5.823 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.734 4.712 -7.010 1.00 0.00 H new ATOM 301 N GLU A 21 -7.713 4.164 -5.158 1.00 0.00 N ATOM 302 CA GLU A 21 -6.416 4.760 -5.456 1.00 0.00 C ATOM 303 C GLU A 21 -5.839 5.449 -4.224 1.00 0.00 C ATOM 304 O GLU A 21 -6.389 5.349 -3.128 1.00 0.00 O ATOM 305 CB GLU A 21 -6.540 5.762 -6.606 1.00 0.00 C ATOM 306 CG GLU A 21 -7.516 6.894 -6.327 1.00 0.00 C ATOM 307 CD GLU A 21 -7.632 7.862 -7.488 1.00 0.00 C ATOM 308 OE1 GLU A 21 -6.604 8.459 -7.869 1.00 0.00 O ATOM 309 OE2 GLU A 21 -8.752 8.022 -8.017 1.00 0.00 O ATOM 0 H GLU A 21 -8.275 4.690 -4.489 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.738 3.961 -5.755 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.557 6.185 -6.816 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.858 5.233 -7.505 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.498 6.476 -6.107 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.194 7.436 -5.438 1.00 0.00 H new ATOM 316 N ILE A 22 -4.726 6.151 -4.417 1.00 0.00 N ATOM 317 CA ILE A 22 -4.061 6.863 -3.330 1.00 0.00 C ATOM 318 C ILE A 22 -4.998 7.859 -2.652 1.00 0.00 C ATOM 319 O ILE A 22 -4.689 8.377 -1.584 1.00 0.00 O ATOM 320 CB ILE A 22 -2.818 7.620 -3.837 1.00 0.00 C ATOM 321 CG1 ILE A 22 -3.221 8.669 -4.878 1.00 0.00 C ATOM 322 CG2 ILE A 22 -1.806 6.643 -4.421 1.00 0.00 C ATOM 323 CD1 ILE A 22 -2.068 9.521 -5.363 1.00 0.00 C ATOM 0 H ILE A 22 -4.263 6.242 -5.322 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.758 6.107 -2.605 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.353 8.134 -2.995 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.673 8.165 -5.732 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.985 9.318 -4.450 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.933 7.192 -4.775 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.501 5.933 -3.653 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.259 6.105 -5.254 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.431 10.240 -6.098 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.629 10.054 -4.519 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.312 8.883 -5.822 1.00 0.00 H new ATOM 335 N GLY A 23 -6.131 8.130 -3.292 1.00 0.00 N ATOM 336 CA GLY A 23 -7.102 9.077 -2.759 1.00 0.00 C ATOM 337 C GLY A 23 -7.275 9.019 -1.247 1.00 0.00 C ATOM 338 O GLY A 23 -7.561 10.038 -0.617 1.00 0.00 O ATOM 0 H GLY A 23 -6.399 7.707 -4.181 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.799 10.086 -3.039 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.067 8.892 -3.230 1.00 0.00 H new ATOM 342 N GLY A 24 -7.123 7.835 -0.659 1.00 0.00 N ATOM 343 CA GLY A 24 -7.294 7.702 0.780 1.00 0.00 C ATOM 344 C GLY A 24 -5.996 7.776 1.570 1.00 0.00 C ATOM 345 O GLY A 24 -5.798 8.693 2.368 1.00 0.00 O ATOM 0 H GLY A 24 -6.886 6.971 -1.147 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.964 8.487 1.129 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.781 6.750 0.991 1.00 0.00 H new ATOM 349 N LEU A 25 -5.127 6.791 1.369 1.00 0.00 N ATOM 350 CA LEU A 25 -3.853 6.713 2.086 1.00 0.00 C ATOM 351 C LEU A 25 -2.877 7.814 1.671 1.00 0.00 C ATOM 352 O LEU A 25 -1.803 7.940 2.259 1.00 0.00 O ATOM 353 CB LEU A 25 -3.206 5.342 1.884 1.00 0.00 C ATOM 354 CG LEU A 25 -2.002 5.049 2.786 1.00 0.00 C ATOM 355 CD1 LEU A 25 -2.402 5.111 4.253 1.00 0.00 C ATOM 356 CD2 LEU A 25 -1.406 3.689 2.456 1.00 0.00 C ATOM 0 H LEU A 25 -5.281 6.028 0.710 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.079 6.858 3.142 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.961 4.574 2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.890 5.257 0.844 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.245 5.812 2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.533 4.900 4.876 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.782 6.106 4.485 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.178 4.371 4.450 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.552 3.498 3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.158 2.915 2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.080 3.677 1.416 1.00 0.00 H new ATOM 368 N LYS A 26 -3.237 8.585 0.644 1.00 0.00 N ATOM 369 CA LYS A 26 -2.369 9.656 0.140 1.00 0.00 C ATOM 370 C LYS A 26 -1.660 10.393 1.273 1.00 0.00 C ATOM 371 O LYS A 26 -0.554 10.892 1.094 1.00 0.00 O ATOM 372 CB LYS A 26 -3.170 10.664 -0.690 1.00 0.00 C ATOM 373 CG LYS A 26 -4.269 11.369 0.091 1.00 0.00 C ATOM 374 CD LYS A 26 -4.873 12.531 -0.691 1.00 0.00 C ATOM 375 CE LYS A 26 -5.647 12.065 -1.919 1.00 0.00 C ATOM 376 NZ LYS A 26 -4.758 11.486 -2.966 1.00 0.00 N ATOM 0 H LYS A 26 -4.121 8.490 0.144 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.617 9.180 -0.489 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.487 11.412 -1.094 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.616 10.147 -1.540 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.053 10.653 0.340 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.864 11.738 1.033 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.538 13.097 -0.039 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.078 13.209 -1.002 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.384 11.320 -1.619 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.198 12.907 -2.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.130 11.724 -3.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.800 11.878 -2.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.723 10.452 -2.859 1.00 0.00 H new ATOM 390 N GLU A 27 -2.293 10.454 2.438 1.00 0.00 N ATOM 391 CA GLU A 27 -1.702 11.126 3.588 1.00 0.00 C ATOM 392 C GLU A 27 -0.377 10.475 3.984 1.00 0.00 C ATOM 393 O GLU A 27 0.654 11.144 4.063 1.00 0.00 O ATOM 394 CB GLU A 27 -2.670 11.103 4.772 1.00 0.00 C ATOM 395 CG GLU A 27 -3.972 11.849 4.517 1.00 0.00 C ATOM 396 CD GLU A 27 -3.767 13.337 4.296 1.00 0.00 C ATOM 397 OE1 GLU A 27 -3.107 13.707 3.302 1.00 0.00 O ATOM 398 OE2 GLU A 27 -4.266 14.132 5.120 1.00 0.00 O ATOM 0 H GLU A 27 -3.212 10.048 2.611 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.505 12.161 3.308 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.899 10.067 5.022 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.177 11.539 5.641 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.465 11.422 3.644 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.641 11.702 5.365 1.00 0.00 H new ATOM 405 N LEU A 28 -0.413 9.170 4.243 1.00 0.00 N ATOM 406 CA LEU A 28 0.785 8.433 4.644 1.00 0.00 C ATOM 407 C LEU A 28 1.548 7.873 3.441 1.00 0.00 C ATOM 408 O LEU A 28 2.733 8.155 3.270 1.00 0.00 O ATOM 409 CB LEU A 28 0.421 7.290 5.599 1.00 0.00 C ATOM 410 CG LEU A 28 -0.086 7.718 6.981 1.00 0.00 C ATOM 411 CD1 LEU A 28 -1.422 8.437 6.874 1.00 0.00 C ATOM 412 CD2 LEU A 28 -0.203 6.511 7.898 1.00 0.00 C ATOM 0 H LEU A 28 -1.257 8.601 4.183 1.00 0.00 H new ATOM 0 HA LEU A 28 1.437 9.142 5.155 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.344 6.675 5.126 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.300 6.659 5.733 1.00 0.00 H new ATOM 0 HG LEU A 28 0.637 8.413 7.408 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.758 8.729 7.869 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.308 9.326 6.253 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.158 7.772 6.423 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.564 6.830 8.876 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.903 5.795 7.469 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.775 6.041 8.008 1.00 0.00 H new ATOM 424 N PHE A 29 0.868 7.056 2.634 1.00 0.00 N ATOM 425 CA PHE A 29 1.475 6.422 1.464 1.00 0.00 C ATOM 426 C PHE A 29 2.424 7.356 0.708 1.00 0.00 C ATOM 427 O PHE A 29 3.486 6.933 0.252 1.00 0.00 O ATOM 428 CB PHE A 29 0.384 5.928 0.517 1.00 0.00 C ATOM 429 CG PHE A 29 0.890 4.988 -0.535 1.00 0.00 C ATOM 430 CD1 PHE A 29 1.684 3.909 -0.188 1.00 0.00 C ATOM 431 CD2 PHE A 29 0.572 5.182 -1.866 1.00 0.00 C ATOM 432 CE1 PHE A 29 2.152 3.040 -1.149 1.00 0.00 C ATOM 433 CE2 PHE A 29 1.038 4.316 -2.834 1.00 0.00 C ATOM 434 CZ PHE A 29 1.830 3.242 -2.476 1.00 0.00 C ATOM 0 H PHE A 29 -0.114 6.817 2.773 1.00 0.00 H new ATOM 0 HA PHE A 29 2.068 5.584 1.830 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.392 5.428 1.097 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.083 6.786 0.033 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.940 3.746 0.849 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.047 6.020 -2.151 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.770 2.201 -0.864 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.784 4.478 -3.871 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.196 2.563 -3.232 1.00 0.00 H new ATOM 444 N LYS A 30 2.035 8.615 0.558 1.00 0.00 N ATOM 445 CA LYS A 30 2.861 9.581 -0.163 1.00 0.00 C ATOM 446 C LYS A 30 4.118 9.919 0.629 1.00 0.00 C ATOM 447 O LYS A 30 5.213 10.015 0.075 1.00 0.00 O ATOM 448 CB LYS A 30 2.063 10.858 -0.442 1.00 0.00 C ATOM 449 CG LYS A 30 2.105 11.890 0.678 1.00 0.00 C ATOM 450 CD LYS A 30 1.320 13.139 0.314 1.00 0.00 C ATOM 451 CE LYS A 30 1.354 14.168 1.433 1.00 0.00 C ATOM 452 NZ LYS A 30 2.744 14.598 1.753 1.00 0.00 N ATOM 0 H LYS A 30 1.160 8.992 0.922 1.00 0.00 H new ATOM 0 HA LYS A 30 3.159 9.131 -1.110 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.443 11.316 -1.355 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.024 10.588 -0.630 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.697 11.455 1.590 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.140 12.158 0.888 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.732 13.576 -0.596 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.286 12.870 0.098 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.763 15.037 1.144 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.890 13.749 2.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.715 15.436 2.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.242 13.827 2.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.246 14.832 0.873 1.00 0.00 H new ATOM 466 N MET A 31 3.937 10.115 1.925 1.00 0.00 N ATOM 467 CA MET A 31 5.036 10.466 2.816 1.00 0.00 C ATOM 468 C MET A 31 6.019 9.311 2.979 1.00 0.00 C ATOM 469 O MET A 31 7.174 9.520 3.351 1.00 0.00 O ATOM 470 CB MET A 31 4.489 10.884 4.183 1.00 0.00 C ATOM 471 CG MET A 31 5.563 11.345 5.157 1.00 0.00 C ATOM 472 SD MET A 31 4.885 11.874 6.742 1.00 0.00 S ATOM 473 CE MET A 31 4.102 10.364 7.302 1.00 0.00 C ATOM 0 H MET A 31 3.032 10.037 2.388 1.00 0.00 H new ATOM 0 HA MET A 31 5.574 11.301 2.368 1.00 0.00 H new ATOM 0 HB2 MET A 31 3.767 11.689 4.045 1.00 0.00 H new ATOM 0 HB3 MET A 31 3.950 10.044 4.621 1.00 0.00 H new ATOM 0 HG2 MET A 31 6.271 10.533 5.322 1.00 0.00 H new ATOM 0 HG3 MET A 31 6.121 12.169 4.712 1.00 0.00 H new ATOM 0 HE1 MET A 31 3.922 10.424 8.375 1.00 0.00 H new ATOM 0 HE2 MET A 31 3.154 10.231 6.781 1.00 0.00 H new ATOM 0 HE3 MET A 31 4.754 9.516 7.091 1.00 0.00 H new ATOM 483 N ILE A 32 5.565 8.094 2.696 1.00 0.00 N ATOM 484 CA ILE A 32 6.424 6.925 2.815 1.00 0.00 C ATOM 485 C ILE A 32 7.083 6.617 1.478 1.00 0.00 C ATOM 486 O ILE A 32 8.162 6.025 1.421 1.00 0.00 O ATOM 487 CB ILE A 32 5.647 5.686 3.312 1.00 0.00 C ATOM 488 CG1 ILE A 32 6.619 4.575 3.710 1.00 0.00 C ATOM 489 CG2 ILE A 32 4.679 5.192 2.249 1.00 0.00 C ATOM 490 CD1 ILE A 32 7.531 4.959 4.855 1.00 0.00 C ATOM 0 H ILE A 32 4.614 7.894 2.385 1.00 0.00 H new ATOM 0 HA ILE A 32 7.189 7.158 3.555 1.00 0.00 H new ATOM 0 HB ILE A 32 5.068 5.974 4.189 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.051 3.688 3.989 1.00 0.00 H new ATOM 0 HG13 ILE A 32 7.226 4.306 2.846 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.143 4.319 2.622 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.966 5.981 2.012 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.233 4.921 1.350 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.195 4.126 5.087 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.125 5.828 4.572 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.931 5.200 5.733 1.00 0.00 H new ATOM 502 N ASP A 33 6.421 7.034 0.405 1.00 0.00 N ATOM 503 CA ASP A 33 6.926 6.821 -0.943 1.00 0.00 C ATOM 504 C ASP A 33 8.123 7.725 -1.209 1.00 0.00 C ATOM 505 O ASP A 33 8.004 8.950 -1.176 1.00 0.00 O ATOM 506 CB ASP A 33 5.823 7.100 -1.967 1.00 0.00 C ATOM 507 CG ASP A 33 6.264 6.832 -3.395 1.00 0.00 C ATOM 508 OD1 ASP A 33 7.380 6.308 -3.586 1.00 0.00 O ATOM 509 OD2 ASP A 33 5.486 7.141 -4.323 1.00 0.00 O ATOM 0 H ASP A 33 5.528 7.525 0.445 1.00 0.00 H new ATOM 0 HA ASP A 33 7.244 5.782 -1.036 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.956 6.481 -1.737 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.506 8.139 -1.879 1.00 0.00 H new ATOM 514 N THR A 34 9.274 7.116 -1.475 1.00 0.00 N ATOM 515 CA THR A 34 10.490 7.872 -1.751 1.00 0.00 C ATOM 516 C THR A 34 10.277 8.803 -2.940 1.00 0.00 C ATOM 517 O THR A 34 11.060 9.725 -3.172 1.00 0.00 O ATOM 518 CB THR A 34 11.655 6.917 -2.028 1.00 0.00 C ATOM 519 OG1 THR A 34 11.855 6.042 -0.932 1.00 0.00 O ATOM 520 CG2 THR A 34 12.967 7.625 -2.291 1.00 0.00 C ATOM 0 H THR A 34 9.390 6.103 -1.505 1.00 0.00 H new ATOM 0 HA THR A 34 10.732 8.475 -0.876 1.00 0.00 H new ATOM 0 HB THR A 34 11.370 6.371 -2.928 1.00 0.00 H new ATOM 0 HG1 THR A 34 12.126 5.160 -1.263 1.00 0.00 H new ATOM 0 HG21 THR A 34 13.747 6.887 -2.479 1.00 0.00 H new ATOM 0 HG22 THR A 34 12.863 8.273 -3.161 1.00 0.00 H new ATOM 0 HG23 THR A 34 13.237 8.225 -1.422 1.00 0.00 H new ATOM 528 N ASP A 35 9.207 8.555 -3.687 1.00 0.00 N ATOM 529 CA ASP A 35 8.879 9.364 -4.852 1.00 0.00 C ATOM 530 C ASP A 35 7.720 10.306 -4.555 1.00 0.00 C ATOM 531 O ASP A 35 7.556 11.326 -5.227 1.00 0.00 O ATOM 532 CB ASP A 35 8.536 8.465 -6.041 1.00 0.00 C ATOM 533 CG ASP A 35 8.416 9.233 -7.345 1.00 0.00 C ATOM 534 OD1 ASP A 35 8.669 10.456 -7.344 1.00 0.00 O ATOM 535 OD2 ASP A 35 8.078 8.607 -8.372 1.00 0.00 O ATOM 0 H ASP A 35 8.550 7.796 -3.504 1.00 0.00 H new ATOM 0 HA ASP A 35 9.752 9.967 -5.102 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.305 7.699 -6.145 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.597 7.949 -5.841 1.00 0.00 H new ATOM 540 N ASN A 36 6.911 9.964 -3.553 1.00 0.00 N ATOM 541 CA ASN A 36 5.767 10.792 -3.194 1.00 0.00 C ATOM 542 C ASN A 36 4.870 10.997 -4.412 1.00 0.00 C ATOM 543 O ASN A 36 4.014 11.882 -4.429 1.00 0.00 O ATOM 544 CB ASN A 36 6.240 12.144 -2.649 1.00 0.00 C ATOM 545 CG ASN A 36 5.096 13.007 -2.150 1.00 0.00 C ATOM 546 OD1 ASN A 36 4.400 12.646 -1.202 1.00 0.00 O ATOM 547 ND2 ASN A 36 4.895 14.153 -2.790 1.00 0.00 N ATOM 0 H ASN A 36 7.027 9.127 -2.982 1.00 0.00 H new ATOM 0 HA ASN A 36 5.195 10.286 -2.416 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.945 11.976 -1.835 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.778 12.678 -3.432 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.139 14.773 -2.500 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.497 14.413 -3.571 1.00 0.00 H new ATOM 554 N SER A 37 5.074 10.165 -5.432 1.00 0.00 N ATOM 555 CA SER A 37 4.287 10.250 -6.655 1.00 0.00 C ATOM 556 C SER A 37 2.977 9.503 -6.484 1.00 0.00 C ATOM 557 O SER A 37 2.021 9.715 -7.230 1.00 0.00 O ATOM 558 CB SER A 37 5.070 9.673 -7.835 1.00 0.00 C ATOM 559 OG SER A 37 5.403 8.314 -7.610 1.00 0.00 O ATOM 0 H SER A 37 5.777 9.426 -5.433 1.00 0.00 H new ATOM 0 HA SER A 37 4.073 11.299 -6.859 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.478 9.760 -8.746 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.980 10.253 -7.990 1.00 0.00 H new ATOM 565 N GLY A 38 2.946 8.629 -5.488 1.00 0.00 N ATOM 566 CA GLY A 38 1.747 7.854 -5.220 1.00 0.00 C ATOM 567 C GLY A 38 1.924 6.382 -5.531 1.00 0.00 C ATOM 568 O GLY A 38 0.958 5.619 -5.535 1.00 0.00 O ATOM 0 H GLY A 38 3.728 8.441 -4.860 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.471 7.970 -4.172 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.922 8.250 -5.813 1.00 0.00 H new ATOM 572 N THR A 39 3.165 5.985 -5.784 1.00 0.00 N ATOM 573 CA THR A 39 3.485 4.595 -6.088 1.00 0.00 C ATOM 574 C THR A 39 4.864 4.252 -5.542 1.00 0.00 C ATOM 575 O THR A 39 5.819 4.998 -5.747 1.00 0.00 O ATOM 576 CB THR A 39 3.446 4.346 -7.599 1.00 0.00 C ATOM 577 OG1 THR A 39 4.373 5.180 -8.270 1.00 0.00 O ATOM 578 CG2 THR A 39 2.084 4.585 -8.216 1.00 0.00 C ATOM 0 H THR A 39 3.971 6.610 -5.785 1.00 0.00 H new ATOM 0 HA THR A 39 2.739 3.957 -5.615 1.00 0.00 H new ATOM 0 HB THR A 39 3.700 3.293 -7.721 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.090 5.435 -7.653 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.131 4.390 -9.287 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.354 3.918 -7.757 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.785 5.620 -8.049 1.00 0.00 H new ATOM 586 N ILE A 40 4.970 3.129 -4.843 1.00 0.00 N ATOM 587 CA ILE A 40 6.249 2.722 -4.272 1.00 0.00 C ATOM 588 C ILE A 40 6.877 1.581 -5.061 1.00 0.00 C ATOM 589 O ILE A 40 6.223 0.584 -5.355 1.00 0.00 O ATOM 590 CB ILE A 40 6.100 2.300 -2.793 1.00 0.00 C ATOM 591 CG1 ILE A 40 6.005 3.537 -1.901 1.00 0.00 C ATOM 592 CG2 ILE A 40 7.266 1.418 -2.359 1.00 0.00 C ATOM 593 CD1 ILE A 40 5.701 3.223 -0.452 1.00 0.00 C ATOM 0 H ILE A 40 4.196 2.490 -4.659 1.00 0.00 H new ATOM 0 HA ILE A 40 6.905 3.591 -4.328 1.00 0.00 H new ATOM 0 HB ILE A 40 5.182 1.721 -2.691 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.946 4.085 -1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.229 4.196 -2.291 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.138 1.134 -1.314 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.294 0.521 -2.978 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.200 1.967 -2.474 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.649 4.151 0.118 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.746 2.702 -0.385 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.489 2.590 -0.044 1.00 0.00 H new ATOM 605 N THR A 41 8.158 1.729 -5.388 1.00 0.00 N ATOM 606 CA THR A 41 8.874 0.701 -6.127 1.00 0.00 C ATOM 607 C THR A 41 9.927 0.057 -5.237 1.00 0.00 C ATOM 608 O THR A 41 10.308 0.620 -4.220 1.00 0.00 O ATOM 609 CB THR A 41 9.536 1.294 -7.372 1.00 0.00 C ATOM 610 OG1 THR A 41 10.506 2.261 -7.013 1.00 0.00 O ATOM 611 CG2 THR A 41 8.557 1.959 -8.314 1.00 0.00 C ATOM 0 H THR A 41 8.717 2.549 -5.153 1.00 0.00 H new ATOM 0 HA THR A 41 8.159 -0.058 -6.443 1.00 0.00 H new ATOM 0 HB THR A 41 9.991 0.447 -7.885 1.00 0.00 H new ATOM 0 HG1 THR A 41 10.919 2.627 -7.823 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.094 2.358 -9.175 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.822 1.228 -8.651 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.048 2.772 -7.796 1.00 0.00 H new ATOM 619 N PHE A 42 10.392 -1.118 -5.637 1.00 0.00 N ATOM 620 CA PHE A 42 11.408 -1.853 -4.902 1.00 0.00 C ATOM 621 C PHE A 42 12.719 -1.083 -4.901 1.00 0.00 C ATOM 622 O PHE A 42 13.461 -1.093 -3.918 1.00 0.00 O ATOM 623 CB PHE A 42 11.601 -3.228 -5.545 1.00 0.00 C ATOM 624 CG PHE A 42 12.843 -3.943 -5.101 1.00 0.00 C ATOM 625 CD1 PHE A 42 13.079 -4.196 -3.760 1.00 0.00 C ATOM 626 CD2 PHE A 42 13.776 -4.361 -6.033 1.00 0.00 C ATOM 627 CE1 PHE A 42 14.225 -4.854 -3.359 1.00 0.00 C ATOM 628 CE2 PHE A 42 14.922 -5.018 -5.638 1.00 0.00 C ATOM 629 CZ PHE A 42 15.149 -5.265 -4.299 1.00 0.00 C ATOM 0 H PHE A 42 10.073 -1.589 -6.484 1.00 0.00 H new ATOM 0 HA PHE A 42 11.085 -1.980 -3.869 1.00 0.00 H new ATOM 0 HB2 PHE A 42 10.735 -3.849 -5.315 1.00 0.00 H new ATOM 0 HB3 PHE A 42 11.630 -3.110 -6.628 1.00 0.00 H new ATOM 0 HD1 PHE A 42 12.360 -3.876 -3.021 1.00 0.00 H new ATOM 0 HD2 PHE A 42 13.605 -4.170 -7.082 1.00 0.00 H new ATOM 0 HE1 PHE A 42 14.398 -5.047 -2.311 1.00 0.00 H new ATOM 0 HE2 PHE A 42 15.642 -5.339 -6.376 1.00 0.00 H new ATOM 0 HZ PHE A 42 16.047 -5.778 -3.988 1.00 0.00 H new ATOM 639 N ASP A 43 12.989 -0.409 -6.010 1.00 0.00 N ATOM 640 CA ASP A 43 14.200 0.381 -6.149 1.00 0.00 C ATOM 641 C ASP A 43 14.252 1.443 -5.062 1.00 0.00 C ATOM 642 O ASP A 43 15.282 1.643 -4.417 1.00 0.00 O ATOM 643 CB ASP A 43 14.239 1.036 -7.528 1.00 0.00 C ATOM 644 CG ASP A 43 14.217 0.020 -8.653 1.00 0.00 C ATOM 645 OD1 ASP A 43 13.240 -0.754 -8.736 1.00 0.00 O ATOM 646 OD2 ASP A 43 15.175 -0.001 -9.454 1.00 0.00 O ATOM 0 H ASP A 43 12.381 -0.395 -6.829 1.00 0.00 H new ATOM 0 HA ASP A 43 15.066 -0.272 -6.046 1.00 0.00 H new ATOM 0 HB2 ASP A 43 13.387 1.707 -7.632 1.00 0.00 H new ATOM 0 HB3 ASP A 43 15.138 1.647 -7.612 1.00 0.00 H new ATOM 651 N GLU A 44 13.124 2.113 -4.863 1.00 0.00 N ATOM 652 CA GLU A 44 13.014 3.152 -3.852 1.00 0.00 C ATOM 653 C GLU A 44 12.570 2.560 -2.517 1.00 0.00 C ATOM 654 O GLU A 44 12.711 3.191 -1.468 1.00 0.00 O ATOM 655 CB GLU A 44 12.026 4.226 -4.309 1.00 0.00 C ATOM 656 CG GLU A 44 10.585 3.752 -4.386 1.00 0.00 C ATOM 657 CD GLU A 44 9.662 4.815 -4.950 1.00 0.00 C ATOM 658 OE1 GLU A 44 10.137 5.944 -5.198 1.00 0.00 O ATOM 659 OE2 GLU A 44 8.465 4.521 -5.144 1.00 0.00 O ATOM 0 H GLU A 44 12.268 1.952 -5.394 1.00 0.00 H new ATOM 0 HA GLU A 44 13.995 3.608 -3.716 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.083 5.072 -3.624 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.330 4.590 -5.290 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.531 2.859 -5.008 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.244 3.468 -3.390 1.00 0.00 H new ATOM 666 N LEU A 45 12.018 1.349 -2.566 1.00 0.00 N ATOM 667 CA LEU A 45 11.537 0.680 -1.365 1.00 0.00 C ATOM 668 C LEU A 45 12.669 0.439 -0.371 1.00 0.00 C ATOM 669 O LEU A 45 12.571 0.808 0.798 1.00 0.00 O ATOM 670 CB LEU A 45 10.865 -0.653 -1.698 1.00 0.00 C ATOM 671 CG LEU A 45 10.280 -1.387 -0.488 1.00 0.00 C ATOM 672 CD1 LEU A 45 9.260 -0.514 0.229 1.00 0.00 C ATOM 673 CD2 LEU A 45 9.646 -2.698 -0.914 1.00 0.00 C ATOM 0 H LEU A 45 11.894 0.814 -3.425 1.00 0.00 H new ATOM 0 HA LEU A 45 10.801 1.343 -0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.068 -0.474 -2.419 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.594 -1.302 -2.184 1.00 0.00 H new ATOM 0 HG LEU A 45 11.094 -1.605 0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.857 -1.054 1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.742 0.402 0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.450 -0.263 -0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.236 -3.205 -0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.846 -2.500 -1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.400 -3.332 -1.381 1.00 0.00 H new ATOM 685 N LYS A 46 13.733 -0.202 -0.851 1.00 0.00 N ATOM 686 CA LYS A 46 14.894 -0.523 -0.025 1.00 0.00 C ATOM 687 C LYS A 46 15.373 0.680 0.782 1.00 0.00 C ATOM 688 O LYS A 46 15.532 0.586 1.993 1.00 0.00 O ATOM 689 CB LYS A 46 16.034 -1.052 -0.899 1.00 0.00 C ATOM 690 CG LYS A 46 16.390 -0.134 -2.058 1.00 0.00 C ATOM 691 CD LYS A 46 17.560 -0.674 -2.866 1.00 0.00 C ATOM 692 CE LYS A 46 18.848 -0.672 -2.057 1.00 0.00 C ATOM 693 NZ LYS A 46 19.238 0.702 -1.638 1.00 0.00 N ATOM 0 H LYS A 46 13.814 -0.512 -1.819 1.00 0.00 H new ATOM 0 HA LYS A 46 14.587 -1.294 0.682 1.00 0.00 H new ATOM 0 HB2 LYS A 46 16.918 -1.199 -0.278 1.00 0.00 H new ATOM 0 HB3 LYS A 46 15.755 -2.029 -1.293 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.523 -0.016 -2.708 1.00 0.00 H new ATOM 0 HG3 LYS A 46 16.639 0.856 -1.675 1.00 0.00 H new ATOM 0 HD2 LYS A 46 17.338 -1.689 -3.195 1.00 0.00 H new ATOM 0 HD3 LYS A 46 17.693 -0.070 -3.764 1.00 0.00 H new ATOM 0 HE2 LYS A 46 18.723 -1.299 -1.174 1.00 0.00 H new ATOM 0 HE3 LYS A 46 19.650 -1.112 -2.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 20.237 0.707 -1.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 19.103 1.359 -2.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 18.646 1.002 -0.837 1.00 0.00 H new ATOM 707 N ASP A 47 15.609 1.803 0.105 1.00 0.00 N ATOM 708 CA ASP A 47 16.083 3.027 0.760 1.00 0.00 C ATOM 709 C ASP A 47 15.239 3.387 1.982 1.00 0.00 C ATOM 710 O ASP A 47 15.650 4.195 2.815 1.00 0.00 O ATOM 711 CB ASP A 47 16.080 4.191 -0.231 1.00 0.00 C ATOM 712 CG ASP A 47 16.547 5.489 0.398 1.00 0.00 C ATOM 713 OD1 ASP A 47 17.696 5.531 0.886 1.00 0.00 O ATOM 714 OD2 ASP A 47 15.765 6.463 0.404 1.00 0.00 O ATOM 0 H ASP A 47 15.480 1.893 -0.903 1.00 0.00 H new ATOM 0 HA ASP A 47 17.101 2.838 1.102 1.00 0.00 H new ATOM 0 HB2 ASP A 47 16.725 3.947 -1.075 1.00 0.00 H new ATOM 0 HB3 ASP A 47 15.073 4.324 -0.627 1.00 0.00 H new ATOM 719 N GLY A 48 14.062 2.787 2.084 1.00 0.00 N ATOM 720 CA GLY A 48 13.181 3.059 3.206 1.00 0.00 C ATOM 721 C GLY A 48 13.666 2.403 4.479 1.00 0.00 C ATOM 722 O GLY A 48 13.861 3.069 5.496 1.00 0.00 O ATOM 0 H GLY A 48 13.699 2.114 1.409 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.109 4.136 3.358 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.178 2.702 2.974 1.00 0.00 H new ATOM 726 N LEU A 49 13.874 1.094 4.417 1.00 0.00 N ATOM 727 CA LEU A 49 14.353 0.343 5.566 1.00 0.00 C ATOM 728 C LEU A 49 15.875 0.312 5.574 1.00 0.00 C ATOM 729 O LEU A 49 16.496 -0.036 6.578 1.00 0.00 O ATOM 730 CB LEU A 49 13.805 -1.089 5.549 1.00 0.00 C ATOM 731 CG LEU A 49 12.290 -1.226 5.747 1.00 0.00 C ATOM 732 CD1 LEU A 49 11.856 -0.569 7.049 1.00 0.00 C ATOM 733 CD2 LEU A 49 11.534 -0.635 4.566 1.00 0.00 C ATOM 0 H LEU A 49 13.718 0.531 3.581 1.00 0.00 H new ATOM 0 HA LEU A 49 13.998 0.839 6.469 1.00 0.00 H new ATOM 0 HB2 LEU A 49 14.071 -1.549 4.597 1.00 0.00 H new ATOM 0 HB3 LEU A 49 14.308 -1.660 6.330 1.00 0.00 H new ATOM 0 HG LEU A 49 12.050 -2.288 5.805 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.778 -0.678 7.170 1.00 0.00 H new ATOM 0 HD12 LEU A 49 12.365 -1.048 7.886 1.00 0.00 H new ATOM 0 HD13 LEU A 49 12.114 0.490 7.026 1.00 0.00 H new ATOM 0 HD21 LEU A 49 10.462 -0.744 4.729 1.00 0.00 H new ATOM 0 HD22 LEU A 49 11.781 0.422 4.468 1.00 0.00 H new ATOM 0 HD23 LEU A 49 11.817 -1.159 3.653 1.00 0.00 H new ATOM 745 N LYS A 50 16.469 0.678 4.442 1.00 0.00 N ATOM 746 CA LYS A 50 17.918 0.689 4.312 1.00 0.00 C ATOM 747 C LYS A 50 18.504 2.010 4.800 1.00 0.00 C ATOM 748 O LYS A 50 19.677 2.079 5.169 1.00 0.00 O ATOM 749 CB LYS A 50 18.332 0.433 2.863 1.00 0.00 C ATOM 750 CG LYS A 50 19.836 0.323 2.672 1.00 0.00 C ATOM 751 CD LYS A 50 20.192 -0.016 1.235 1.00 0.00 C ATOM 752 CE LYS A 50 21.696 -0.142 1.049 1.00 0.00 C ATOM 753 NZ LYS A 50 22.273 -1.217 1.903 1.00 0.00 N ATOM 0 H LYS A 50 15.967 0.970 3.603 1.00 0.00 H new ATOM 0 HA LYS A 50 18.313 -0.112 4.937 1.00 0.00 H new ATOM 0 HB2 LYS A 50 17.862 -0.487 2.516 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.952 1.241 2.237 1.00 0.00 H new ATOM 0 HG2 LYS A 50 20.309 1.264 2.953 1.00 0.00 H new ATOM 0 HG3 LYS A 50 20.233 -0.444 3.337 1.00 0.00 H new ATOM 0 HD2 LYS A 50 19.709 -0.951 0.950 1.00 0.00 H new ATOM 0 HD3 LYS A 50 19.806 0.757 0.571 1.00 0.00 H new ATOM 0 HE2 LYS A 50 21.916 -0.352 0.002 1.00 0.00 H new ATOM 0 HE3 LYS A 50 22.173 0.808 1.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 23.232 -1.446 1.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 22.315 -0.891 2.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 21.675 -2.066 1.844 1.00 0.00 H new ATOM 767 N ARG A 51 17.679 3.056 4.793 1.00 0.00 N ATOM 768 CA ARG A 51 18.109 4.384 5.231 1.00 0.00 C ATOM 769 C ARG A 51 18.910 4.310 6.529 1.00 0.00 C ATOM 770 O ARG A 51 19.819 5.111 6.752 1.00 0.00 O ATOM 771 CB ARG A 51 16.897 5.300 5.423 1.00 0.00 C ATOM 772 CG ARG A 51 17.268 6.724 5.805 1.00 0.00 C ATOM 773 CD ARG A 51 16.035 7.591 6.003 1.00 0.00 C ATOM 774 NE ARG A 51 15.203 7.647 4.803 1.00 0.00 N ATOM 775 CZ ARG A 51 14.088 8.367 4.713 1.00 0.00 C ATOM 776 NH1 ARG A 51 13.681 9.097 5.742 1.00 0.00 N ATOM 777 NH2 ARG A 51 13.380 8.360 3.591 1.00 0.00 N ATOM 0 H ARG A 51 16.707 3.010 4.488 1.00 0.00 H new ATOM 0 HA ARG A 51 18.754 4.795 4.454 1.00 0.00 H new ATOM 0 HB2 ARG A 51 16.316 5.319 4.501 1.00 0.00 H new ATOM 0 HB3 ARG A 51 16.253 4.881 6.196 1.00 0.00 H new ATOM 0 HG2 ARG A 51 17.857 6.713 6.722 1.00 0.00 H new ATOM 0 HG3 ARG A 51 17.897 7.158 5.027 1.00 0.00 H new ATOM 0 HD2 ARG A 51 15.447 7.200 6.833 1.00 0.00 H new ATOM 0 HD3 ARG A 51 16.342 8.600 6.278 1.00 0.00 H new ATOM 0 HE ARG A 51 15.493 7.104 3.990 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.223 9.108 6.606 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.826 9.648 5.670 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.690 7.802 2.796 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.525 8.913 3.524 1.00 0.00 H new ATOM 791 N VAL A 52 18.571 3.348 7.382 1.00 0.00 N ATOM 792 CA VAL A 52 19.264 3.178 8.654 1.00 0.00 C ATOM 793 C VAL A 52 20.274 2.036 8.588 1.00 0.00 C ATOM 794 O VAL A 52 21.308 2.074 9.256 1.00 0.00 O ATOM 795 CB VAL A 52 18.274 2.911 9.804 1.00 0.00 C ATOM 796 CG1 VAL A 52 17.344 4.099 9.994 1.00 0.00 C ATOM 797 CG2 VAL A 52 17.478 1.641 9.541 1.00 0.00 C ATOM 0 H VAL A 52 17.822 2.676 7.216 1.00 0.00 H new ATOM 0 HA VAL A 52 19.792 4.111 8.850 1.00 0.00 H new ATOM 0 HB VAL A 52 18.843 2.772 10.723 1.00 0.00 H new ATOM 0 HG11 VAL A 52 16.652 3.892 10.810 1.00 0.00 H new ATOM 0 HG12 VAL A 52 17.931 4.986 10.232 1.00 0.00 H new ATOM 0 HG13 VAL A 52 16.782 4.271 9.076 1.00 0.00 H new ATOM 0 HG21 VAL A 52 16.784 1.469 10.364 1.00 0.00 H new ATOM 0 HG22 VAL A 52 16.919 1.748 8.612 1.00 0.00 H new ATOM 0 HG23 VAL A 52 18.160 0.795 9.459 1.00 0.00 H new ATOM 807 N GLY A 53 19.969 1.024 7.778 1.00 0.00 N ATOM 808 CA GLY A 53 20.862 -0.115 7.638 1.00 0.00 C ATOM 809 C GLY A 53 21.254 -0.716 8.975 1.00 0.00 C ATOM 810 O GLY A 53 22.434 -0.952 9.234 1.00 0.00 O ATOM 0 H GLY A 53 19.119 0.973 7.216 1.00 0.00 H new ATOM 0 HA2 GLY A 53 20.379 -0.878 7.028 1.00 0.00 H new ATOM 0 HA3 GLY A 53 21.761 0.196 7.106 1.00 0.00 H new ATOM 814 N SER A 54 20.263 -0.955 9.828 1.00 0.00 N ATOM 815 CA SER A 54 20.511 -1.522 11.149 1.00 0.00 C ATOM 816 C SER A 54 20.971 -2.976 11.053 1.00 0.00 C ATOM 817 O SER A 54 22.165 -3.251 10.929 1.00 0.00 O ATOM 818 CB SER A 54 19.251 -1.423 12.012 1.00 0.00 C ATOM 819 OG SER A 54 18.840 -0.075 12.164 1.00 0.00 O ATOM 0 H SER A 54 19.281 -0.765 9.628 1.00 0.00 H new ATOM 0 HA SER A 54 21.310 -0.947 11.616 1.00 0.00 H new ATOM 0 HB2 SER A 54 18.448 -2.002 11.556 1.00 0.00 H new ATOM 0 HB3 SER A 54 19.442 -1.861 12.992 1.00 0.00 H new ATOM 0 HG SER A 54 18.032 -0.040 12.718 1.00 0.00 H new ATOM 825 N GLU A 55 20.019 -3.904 11.122 1.00 0.00 N ATOM 826 CA GLU A 55 20.333 -5.328 11.053 1.00 0.00 C ATOM 827 C GLU A 55 19.579 -5.999 9.906 1.00 0.00 C ATOM 828 O GLU A 55 19.680 -7.210 9.704 1.00 0.00 O ATOM 829 CB GLU A 55 19.982 -5.999 12.386 1.00 0.00 C ATOM 830 CG GLU A 55 20.398 -7.460 12.474 1.00 0.00 C ATOM 831 CD GLU A 55 20.047 -8.085 13.810 1.00 0.00 C ATOM 832 OE1 GLU A 55 18.847 -8.120 14.152 1.00 0.00 O ATOM 833 OE2 GLU A 55 20.973 -8.540 14.514 1.00 0.00 O ATOM 0 H GLU A 55 19.026 -3.695 11.225 1.00 0.00 H new ATOM 0 HA GLU A 55 21.401 -5.440 10.864 1.00 0.00 H new ATOM 0 HB2 GLU A 55 20.460 -5.447 13.195 1.00 0.00 H new ATOM 0 HB3 GLU A 55 18.906 -5.929 12.544 1.00 0.00 H new ATOM 0 HG2 GLU A 55 19.913 -8.021 11.675 1.00 0.00 H new ATOM 0 HG3 GLU A 55 21.473 -7.539 12.311 1.00 0.00 H new ATOM 840 N LEU A 56 18.822 -5.205 9.155 1.00 0.00 N ATOM 841 CA LEU A 56 18.051 -5.725 8.033 1.00 0.00 C ATOM 842 C LEU A 56 18.867 -5.766 6.759 1.00 0.00 C ATOM 843 O LEU A 56 19.672 -4.877 6.479 1.00 0.00 O ATOM 844 CB LEU A 56 16.774 -4.903 7.829 1.00 0.00 C ATOM 845 CG LEU A 56 16.960 -3.383 7.786 1.00 0.00 C ATOM 846 CD1 LEU A 56 17.505 -2.938 6.437 1.00 0.00 C ATOM 847 CD2 LEU A 56 15.648 -2.679 8.093 1.00 0.00 C ATOM 0 H LEU A 56 18.727 -4.200 9.303 1.00 0.00 H new ATOM 0 HA LEU A 56 17.773 -6.751 8.276 1.00 0.00 H new ATOM 0 HB2 LEU A 56 16.306 -5.219 6.897 1.00 0.00 H new ATOM 0 HB3 LEU A 56 16.078 -5.142 8.633 1.00 0.00 H new ATOM 0 HG LEU A 56 17.688 -3.108 8.549 1.00 0.00 H new ATOM 0 HD11 LEU A 56 17.628 -1.855 6.433 1.00 0.00 H new ATOM 0 HD12 LEU A 56 18.470 -3.413 6.260 1.00 0.00 H new ATOM 0 HD13 LEU A 56 16.808 -3.227 5.650 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.797 -1.600 8.058 1.00 0.00 H new ATOM 0 HD22 LEU A 56 14.900 -2.966 7.354 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.305 -2.966 9.087 1.00 0.00 H new ATOM 859 N MET A 57 18.641 -6.818 5.990 1.00 0.00 N ATOM 860 CA MET A 57 19.330 -7.007 4.734 1.00 0.00 C ATOM 861 C MET A 57 18.380 -6.735 3.580 1.00 0.00 C ATOM 862 O MET A 57 17.167 -6.900 3.705 1.00 0.00 O ATOM 863 CB MET A 57 19.885 -8.430 4.636 1.00 0.00 C ATOM 864 CG MET A 57 20.716 -8.677 3.387 1.00 0.00 C ATOM 865 SD MET A 57 22.204 -7.659 3.327 1.00 0.00 S ATOM 866 CE MET A 57 23.073 -8.245 4.779 1.00 0.00 C ATOM 0 H MET A 57 17.978 -7.558 6.221 1.00 0.00 H new ATOM 0 HA MET A 57 20.164 -6.308 4.683 1.00 0.00 H new ATOM 0 HB2 MET A 57 20.497 -8.633 5.515 1.00 0.00 H new ATOM 0 HB3 MET A 57 19.055 -9.136 4.655 1.00 0.00 H new ATOM 0 HG2 MET A 57 20.999 -9.729 3.346 1.00 0.00 H new ATOM 0 HG3 MET A 57 20.108 -8.476 2.505 1.00 0.00 H new ATOM 0 HE1 MET A 57 24.133 -8.009 4.688 1.00 0.00 H new ATOM 0 HE2 MET A 57 22.668 -7.759 5.666 1.00 0.00 H new ATOM 0 HE3 MET A 57 22.947 -9.324 4.867 1.00 0.00 H new ATOM 876 N GLU A 58 18.944 -6.314 2.465 1.00 0.00 N ATOM 877 CA GLU A 58 18.168 -6.006 1.264 1.00 0.00 C ATOM 878 C GLU A 58 17.280 -7.186 0.861 1.00 0.00 C ATOM 879 O GLU A 58 16.384 -7.045 0.028 1.00 0.00 O ATOM 880 CB GLU A 58 19.109 -5.643 0.111 1.00 0.00 C ATOM 881 CG GLU A 58 18.390 -5.272 -1.177 1.00 0.00 C ATOM 882 CD GLU A 58 19.347 -4.959 -2.311 1.00 0.00 C ATOM 883 OE1 GLU A 58 20.137 -5.851 -2.684 1.00 0.00 O ATOM 884 OE2 GLU A 58 19.306 -3.822 -2.825 1.00 0.00 O ATOM 0 H GLU A 58 19.949 -6.174 2.359 1.00 0.00 H new ATOM 0 HA GLU A 58 17.523 -5.156 1.486 1.00 0.00 H new ATOM 0 HB2 GLU A 58 19.739 -4.808 0.418 1.00 0.00 H new ATOM 0 HB3 GLU A 58 19.771 -6.486 -0.084 1.00 0.00 H new ATOM 0 HG2 GLU A 58 17.737 -6.093 -1.474 1.00 0.00 H new ATOM 0 HG3 GLU A 58 17.752 -4.407 -0.996 1.00 0.00 H new ATOM 891 N SER A 59 17.533 -8.346 1.459 1.00 0.00 N ATOM 892 CA SER A 59 16.760 -9.548 1.165 1.00 0.00 C ATOM 893 C SER A 59 15.337 -9.427 1.699 1.00 0.00 C ATOM 894 O SER A 59 14.395 -9.956 1.107 1.00 0.00 O ATOM 895 CB SER A 59 17.440 -10.780 1.766 1.00 0.00 C ATOM 896 OG SER A 59 17.566 -10.657 3.172 1.00 0.00 O ATOM 0 H SER A 59 18.269 -8.479 2.152 1.00 0.00 H new ATOM 0 HA SER A 59 16.713 -9.660 0.082 1.00 0.00 H new ATOM 0 HB2 SER A 59 16.861 -11.672 1.526 1.00 0.00 H new ATOM 0 HB3 SER A 59 18.426 -10.910 1.319 1.00 0.00 H new ATOM 0 HG SER A 59 18.002 -11.457 3.533 1.00 0.00 H new ATOM 902 N GLU A 60 15.185 -8.725 2.816 1.00 0.00 N ATOM 903 CA GLU A 60 13.877 -8.531 3.420 1.00 0.00 C ATOM 904 C GLU A 60 13.015 -7.652 2.527 1.00 0.00 C ATOM 905 O GLU A 60 11.800 -7.821 2.462 1.00 0.00 O ATOM 906 CB GLU A 60 14.015 -7.897 4.806 1.00 0.00 C ATOM 907 CG GLU A 60 12.691 -7.720 5.532 1.00 0.00 C ATOM 908 CD GLU A 60 11.988 -9.038 5.793 1.00 0.00 C ATOM 909 OE1 GLU A 60 12.571 -9.894 6.492 1.00 0.00 O ATOM 910 OE2 GLU A 60 10.854 -9.215 5.300 1.00 0.00 O ATOM 0 H GLU A 60 15.953 -8.282 3.320 1.00 0.00 H new ATOM 0 HA GLU A 60 13.398 -9.504 3.530 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.673 -8.516 5.415 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.496 -6.924 4.705 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.866 -7.212 6.480 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.040 -7.076 4.941 1.00 0.00 H new ATOM 917 N ILE A 61 13.661 -6.715 1.836 1.00 0.00 N ATOM 918 CA ILE A 61 12.964 -5.803 0.938 1.00 0.00 C ATOM 919 C ILE A 61 12.287 -6.571 -0.194 1.00 0.00 C ATOM 920 O ILE A 61 11.349 -6.078 -0.819 1.00 0.00 O ATOM 921 CB ILE A 61 13.927 -4.755 0.343 1.00 0.00 C ATOM 922 CG1 ILE A 61 14.778 -4.122 1.450 1.00 0.00 C ATOM 923 CG2 ILE A 61 13.148 -3.683 -0.406 1.00 0.00 C ATOM 924 CD1 ILE A 61 13.966 -3.425 2.523 1.00 0.00 C ATOM 0 H ILE A 61 14.669 -6.569 1.883 1.00 0.00 H new ATOM 0 HA ILE A 61 12.206 -5.286 1.526 1.00 0.00 H new ATOM 0 HB ILE A 61 14.591 -5.256 -0.361 1.00 0.00 H new ATOM 0 HG12 ILE A 61 15.388 -4.897 1.915 1.00 0.00 H new ATOM 0 HG13 ILE A 61 15.464 -3.403 1.002 1.00 0.00 H new ATOM 0 HG21 ILE A 61 13.842 -2.951 -0.820 1.00 0.00 H new ATOM 0 HG22 ILE A 61 12.581 -4.144 -1.215 1.00 0.00 H new ATOM 0 HG23 ILE A 61 12.462 -3.185 0.280 1.00 0.00 H new ATOM 0 HD11 ILE A 61 14.637 -3.003 3.271 1.00 0.00 H new ATOM 0 HD12 ILE A 61 13.376 -2.627 2.072 1.00 0.00 H new ATOM 0 HD13 ILE A 61 13.299 -4.144 2.999 1.00 0.00 H new ATOM 936 N LYS A 62 12.762 -7.791 -0.440 1.00 0.00 N ATOM 937 CA LYS A 62 12.197 -8.644 -1.482 1.00 0.00 C ATOM 938 C LYS A 62 10.874 -9.206 -1.007 1.00 0.00 C ATOM 939 O LYS A 62 9.819 -8.913 -1.569 1.00 0.00 O ATOM 940 CB LYS A 62 13.157 -9.785 -1.800 1.00 0.00 C ATOM 941 CG LYS A 62 14.597 -9.330 -1.854 1.00 0.00 C ATOM 942 CD LYS A 62 14.851 -8.409 -3.037 1.00 0.00 C ATOM 943 CE LYS A 62 14.660 -9.130 -4.363 1.00 0.00 C ATOM 944 NZ LYS A 62 15.608 -10.268 -4.520 1.00 0.00 N ATOM 0 H LYS A 62 13.539 -8.211 0.070 1.00 0.00 H new ATOM 0 HA LYS A 62 12.040 -8.054 -2.385 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.053 -10.564 -1.045 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.884 -10.230 -2.757 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.850 -8.812 -0.929 1.00 0.00 H new ATOM 0 HG3 LYS A 62 15.251 -10.199 -1.922 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.174 -7.556 -2.986 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.866 -8.015 -2.980 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.636 -9.499 -4.431 1.00 0.00 H new ATOM 0 HE3 LYS A 62 14.800 -8.425 -5.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.614 -10.581 -5.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.564 -9.963 -4.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.309 -11.056 -3.910 1.00 0.00 H new ATOM 958 N ASP A 63 10.938 -9.989 0.064 1.00 0.00 N ATOM 959 CA ASP A 63 9.746 -10.562 0.658 1.00 0.00 C ATOM 960 C ASP A 63 8.830 -9.426 1.084 1.00 0.00 C ATOM 961 O ASP A 63 7.637 -9.614 1.313 1.00 0.00 O ATOM 962 CB ASP A 63 10.118 -11.439 1.858 1.00 0.00 C ATOM 963 CG ASP A 63 8.924 -12.156 2.460 1.00 0.00 C ATOM 964 OD1 ASP A 63 8.017 -11.474 2.980 1.00 0.00 O ATOM 965 OD2 ASP A 63 8.897 -13.404 2.412 1.00 0.00 O ATOM 0 H ASP A 63 11.807 -10.239 0.536 1.00 0.00 H new ATOM 0 HA ASP A 63 9.233 -11.194 -0.067 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.859 -12.176 1.547 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.586 -10.819 2.623 1.00 0.00 H new ATOM 970 N LEU A 64 9.414 -8.233 1.175 1.00 0.00 N ATOM 971 CA LEU A 64 8.670 -7.040 1.559 1.00 0.00 C ATOM 972 C LEU A 64 7.947 -6.449 0.352 1.00 0.00 C ATOM 973 O LEU A 64 6.802 -6.010 0.453 1.00 0.00 O ATOM 974 CB LEU A 64 9.618 -5.993 2.153 1.00 0.00 C ATOM 975 CG LEU A 64 8.939 -4.756 2.744 1.00 0.00 C ATOM 976 CD1 LEU A 64 8.079 -5.135 3.940 1.00 0.00 C ATOM 977 CD2 LEU A 64 9.978 -3.717 3.141 1.00 0.00 C ATOM 0 H LEU A 64 10.403 -8.069 0.987 1.00 0.00 H new ATOM 0 HA LEU A 64 7.932 -7.324 2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.214 -6.467 2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 64 10.310 -5.670 1.375 1.00 0.00 H new ATOM 0 HG LEU A 64 8.292 -4.323 1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.605 -4.241 4.345 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.311 -5.842 3.626 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.704 -5.594 4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.478 -2.844 3.560 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.651 -4.142 3.886 1.00 0.00 H new ATOM 0 HD23 LEU A 64 10.551 -3.421 2.262 1.00 0.00 H new ATOM 989 N MET A 65 8.636 -6.432 -0.787 1.00 0.00 N ATOM 990 CA MET A 65 8.079 -5.885 -2.021 1.00 0.00 C ATOM 991 C MET A 65 7.315 -6.946 -2.809 1.00 0.00 C ATOM 992 O MET A 65 6.096 -6.863 -2.955 1.00 0.00 O ATOM 993 CB MET A 65 9.202 -5.294 -2.881 1.00 0.00 C ATOM 994 CG MET A 65 8.714 -4.509 -4.089 1.00 0.00 C ATOM 995 SD MET A 65 8.183 -5.566 -5.450 1.00 0.00 S ATOM 996 CE MET A 65 9.720 -6.395 -5.849 1.00 0.00 C ATOM 0 H MET A 65 9.585 -6.793 -0.880 1.00 0.00 H new ATOM 0 HA MET A 65 7.373 -5.098 -1.754 1.00 0.00 H new ATOM 0 HB2 MET A 65 9.814 -4.640 -2.260 1.00 0.00 H new ATOM 0 HB3 MET A 65 9.846 -6.104 -3.224 1.00 0.00 H new ATOM 0 HG2 MET A 65 7.884 -3.869 -3.788 1.00 0.00 H new ATOM 0 HG3 MET A 65 9.513 -3.853 -4.436 1.00 0.00 H new ATOM 0 HE1 MET A 65 9.947 -6.252 -6.906 1.00 0.00 H new ATOM 0 HE2 MET A 65 10.526 -5.978 -5.245 1.00 0.00 H new ATOM 0 HE3 MET A 65 9.624 -7.460 -5.639 1.00 0.00 H new ATOM 1006 N ASP A 66 8.047 -7.933 -3.325 1.00 0.00 N ATOM 1007 CA ASP A 66 7.456 -9.012 -4.117 1.00 0.00 C ATOM 1008 C ASP A 66 6.147 -9.513 -3.508 1.00 0.00 C ATOM 1009 O ASP A 66 5.199 -9.826 -4.230 1.00 0.00 O ATOM 1010 CB ASP A 66 8.448 -10.171 -4.246 1.00 0.00 C ATOM 1011 CG ASP A 66 7.939 -11.282 -5.146 1.00 0.00 C ATOM 1012 OD1 ASP A 66 6.903 -11.894 -4.810 1.00 0.00 O ATOM 1013 OD2 ASP A 66 8.577 -11.539 -6.188 1.00 0.00 O ATOM 0 H ASP A 66 9.057 -8.008 -3.208 1.00 0.00 H new ATOM 0 HA ASP A 66 7.230 -8.611 -5.105 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.392 -9.794 -4.640 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.656 -10.578 -3.256 1.00 0.00 H new ATOM 1018 N ALA A 67 6.099 -9.593 -2.181 1.00 0.00 N ATOM 1019 CA ALA A 67 4.903 -10.063 -1.488 1.00 0.00 C ATOM 1020 C ALA A 67 3.837 -8.975 -1.414 1.00 0.00 C ATOM 1021 O ALA A 67 2.650 -9.247 -1.596 1.00 0.00 O ATOM 1022 CB ALA A 67 5.257 -10.551 -0.093 1.00 0.00 C ATOM 0 H ALA A 67 6.872 -9.339 -1.566 1.00 0.00 H new ATOM 0 HA ALA A 67 4.492 -10.894 -2.061 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.355 -10.898 0.411 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.971 -11.371 -0.165 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.699 -9.734 0.477 1.00 0.00 H new ATOM 1028 N ALA A 68 4.265 -7.744 -1.146 1.00 0.00 N ATOM 1029 CA ALA A 68 3.341 -6.618 -1.048 1.00 0.00 C ATOM 1030 C ALA A 68 2.520 -6.475 -2.325 1.00 0.00 C ATOM 1031 O ALA A 68 1.296 -6.602 -2.305 1.00 0.00 O ATOM 1032 CB ALA A 68 4.102 -5.334 -0.759 1.00 0.00 C ATOM 0 H ALA A 68 5.244 -7.501 -0.993 1.00 0.00 H new ATOM 0 HA ALA A 68 2.654 -6.811 -0.224 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.400 -4.503 -0.689 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.641 -5.435 0.183 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.811 -5.142 -1.564 1.00 0.00 H new ATOM 1038 N ASP A 69 3.204 -6.222 -3.437 1.00 0.00 N ATOM 1039 CA ASP A 69 2.538 -6.075 -4.726 1.00 0.00 C ATOM 1040 C ASP A 69 2.587 -7.385 -5.508 1.00 0.00 C ATOM 1041 O ASP A 69 3.651 -7.825 -5.942 1.00 0.00 O ATOM 1042 CB ASP A 69 3.178 -4.944 -5.534 1.00 0.00 C ATOM 1043 CG ASP A 69 4.678 -5.101 -5.674 1.00 0.00 C ATOM 1044 OD1 ASP A 69 5.377 -5.055 -4.642 1.00 0.00 O ATOM 1045 OD2 ASP A 69 5.154 -5.269 -6.817 1.00 0.00 O ATOM 0 H ASP A 69 4.218 -6.115 -3.471 1.00 0.00 H new ATOM 0 HA ASP A 69 1.493 -5.822 -4.546 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.726 -4.911 -6.525 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.960 -3.991 -5.052 1.00 0.00 H new ATOM 1050 N ILE A 70 1.422 -8.004 -5.671 1.00 0.00 N ATOM 1051 CA ILE A 70 1.312 -9.270 -6.386 1.00 0.00 C ATOM 1052 C ILE A 70 1.213 -9.042 -7.887 1.00 0.00 C ATOM 1053 O ILE A 70 1.495 -9.938 -8.683 1.00 0.00 O ATOM 1054 CB ILE A 70 0.085 -10.078 -5.912 1.00 0.00 C ATOM 1055 CG1 ILE A 70 0.041 -11.450 -6.592 1.00 0.00 C ATOM 1056 CG2 ILE A 70 -1.198 -9.307 -6.186 1.00 0.00 C ATOM 1057 CD1 ILE A 70 1.241 -12.321 -6.285 1.00 0.00 C ATOM 0 H ILE A 70 0.536 -7.646 -5.315 1.00 0.00 H new ATOM 0 HA ILE A 70 2.215 -9.840 -6.168 1.00 0.00 H new ATOM 0 HB ILE A 70 0.174 -10.233 -4.837 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.864 -11.971 -6.280 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.028 -11.309 -7.671 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.053 -9.891 -5.846 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.172 -8.357 -5.653 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.289 -9.120 -7.256 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.139 -13.276 -6.801 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.149 -11.821 -6.622 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.300 -12.494 -5.210 1.00 0.00 H new ATOM 1069 N ASP A 71 0.811 -7.836 -8.267 1.00 0.00 N ATOM 1070 CA ASP A 71 0.676 -7.490 -9.674 1.00 0.00 C ATOM 1071 C ASP A 71 2.025 -7.601 -10.381 1.00 0.00 C ATOM 1072 O ASP A 71 2.092 -7.652 -11.610 1.00 0.00 O ATOM 1073 CB ASP A 71 0.099 -6.080 -9.812 1.00 0.00 C ATOM 1074 CG ASP A 71 0.982 -5.027 -9.181 1.00 0.00 C ATOM 1075 OD1 ASP A 71 1.542 -5.294 -8.099 1.00 0.00 O ATOM 1076 OD2 ASP A 71 1.089 -3.927 -9.753 1.00 0.00 O ATOM 0 H ASP A 71 0.573 -7.083 -7.621 1.00 0.00 H new ATOM 0 HA ASP A 71 -0.011 -8.191 -10.148 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.038 -5.849 -10.868 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.887 -6.048 -9.348 1.00 0.00 H new ATOM 1081 N LYS A 72 3.096 -7.661 -9.586 1.00 0.00 N ATOM 1082 CA LYS A 72 4.454 -7.792 -10.113 1.00 0.00 C ATOM 1083 C LYS A 72 4.786 -6.675 -11.090 1.00 0.00 C ATOM 1084 O LYS A 72 5.779 -6.747 -11.815 1.00 0.00 O ATOM 1085 CB LYS A 72 4.609 -9.138 -10.812 1.00 0.00 C ATOM 1086 CG LYS A 72 4.213 -10.316 -9.945 1.00 0.00 C ATOM 1087 CD LYS A 72 3.738 -11.476 -10.795 1.00 0.00 C ATOM 1088 CE LYS A 72 4.863 -12.057 -11.638 1.00 0.00 C ATOM 1089 NZ LYS A 72 4.404 -13.214 -12.456 1.00 0.00 N ATOM 0 H LYS A 72 3.046 -7.620 -8.568 1.00 0.00 H new ATOM 0 HA LYS A 72 5.145 -7.725 -9.272 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.001 -9.141 -11.716 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.646 -9.259 -11.125 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.063 -10.628 -9.338 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.423 -10.017 -9.256 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.327 -12.254 -10.151 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.931 -11.142 -11.447 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.261 -11.283 -12.295 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.678 -12.373 -10.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.200 -13.581 -13.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.047 -13.963 -11.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.644 -12.907 -13.096 1.00 0.00 H new ATOM 1103 N SER A 73 3.949 -5.649 -11.113 1.00 0.00 N ATOM 1104 CA SER A 73 4.161 -4.520 -12.020 1.00 0.00 C ATOM 1105 C SER A 73 5.487 -3.828 -11.723 1.00 0.00 C ATOM 1106 O SER A 73 6.004 -3.075 -12.549 1.00 0.00 O ATOM 1107 CB SER A 73 3.026 -3.505 -11.897 1.00 0.00 C ATOM 1108 OG SER A 73 3.085 -2.828 -10.654 1.00 0.00 O ATOM 0 H SER A 73 3.122 -5.570 -10.521 1.00 0.00 H new ATOM 0 HA SER A 73 4.182 -4.914 -13.036 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.088 -2.784 -12.712 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.066 -4.013 -11.994 1.00 0.00 H new ATOM 0 HG SER A 73 2.607 -3.348 -9.975 1.00 0.00 H new ATOM 1114 N GLY A 74 6.027 -4.083 -10.536 1.00 0.00 N ATOM 1115 CA GLY A 74 7.284 -3.471 -10.146 1.00 0.00 C ATOM 1116 C GLY A 74 7.086 -2.376 -9.119 1.00 0.00 C ATOM 1117 O GLY A 74 8.008 -2.028 -8.381 1.00 0.00 O ATOM 0 H GLY A 74 5.617 -4.702 -9.837 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.948 -4.234 -9.740 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.775 -3.058 -11.027 1.00 0.00 H new ATOM 1121 N THR A 75 5.872 -1.840 -9.071 1.00 0.00 N ATOM 1122 CA THR A 75 5.531 -0.784 -8.129 1.00 0.00 C ATOM 1123 C THR A 75 4.208 -1.097 -7.442 1.00 0.00 C ATOM 1124 O THR A 75 3.207 -1.380 -8.102 1.00 0.00 O ATOM 1125 CB THR A 75 5.446 0.562 -8.849 1.00 0.00 C ATOM 1126 OG1 THR A 75 5.018 1.580 -7.964 1.00 0.00 O ATOM 1127 CG2 THR A 75 4.503 0.549 -10.032 1.00 0.00 C ATOM 0 H THR A 75 5.103 -2.123 -9.679 1.00 0.00 H new ATOM 0 HA THR A 75 6.313 -0.727 -7.372 1.00 0.00 H new ATOM 0 HB THR A 75 6.454 0.759 -9.213 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.230 1.323 -7.042 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.490 1.535 -10.497 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.840 -0.191 -10.758 1.00 0.00 H new ATOM 0 HG23 THR A 75 3.499 0.294 -9.694 1.00 0.00 H new ATOM 1135 N ILE A 76 4.209 -1.057 -6.116 1.00 0.00 N ATOM 1136 CA ILE A 76 3.010 -1.350 -5.346 1.00 0.00 C ATOM 1137 C ILE A 76 2.047 -0.167 -5.335 1.00 0.00 C ATOM 1138 O ILE A 76 2.450 0.979 -5.107 1.00 0.00 O ATOM 1139 CB ILE A 76 3.357 -1.740 -3.895 1.00 0.00 C ATOM 1140 CG1 ILE A 76 2.083 -2.058 -3.109 1.00 0.00 C ATOM 1141 CG2 ILE A 76 4.144 -0.626 -3.219 1.00 0.00 C ATOM 1142 CD1 ILE A 76 2.344 -2.511 -1.689 1.00 0.00 C ATOM 0 H ILE A 76 5.027 -0.825 -5.553 1.00 0.00 H new ATOM 0 HA ILE A 76 2.523 -2.194 -5.834 1.00 0.00 H new ATOM 0 HB ILE A 76 3.979 -2.635 -3.914 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.449 -1.172 -3.088 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.527 -2.836 -3.633 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.381 -0.917 -2.196 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.068 -0.448 -3.769 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.547 0.286 -3.208 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.396 -2.718 -1.193 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.952 -3.415 -1.702 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.872 -1.726 -1.148 1.00 0.00 H new ATOM 1154 N ASP A 77 0.771 -0.462 -5.576 1.00 0.00 N ATOM 1155 CA ASP A 77 -0.270 0.560 -5.588 1.00 0.00 C ATOM 1156 C ASP A 77 -1.178 0.381 -4.374 1.00 0.00 C ATOM 1157 O ASP A 77 -1.388 -0.741 -3.916 1.00 0.00 O ATOM 1158 CB ASP A 77 -1.088 0.467 -6.880 1.00 0.00 C ATOM 1159 CG ASP A 77 -2.060 1.620 -7.047 1.00 0.00 C ATOM 1160 OD1 ASP A 77 -2.032 2.550 -6.214 1.00 0.00 O ATOM 1161 OD2 ASP A 77 -2.845 1.597 -8.019 1.00 0.00 O ATOM 0 H ASP A 77 0.434 -1.406 -5.766 1.00 0.00 H new ATOM 0 HA ASP A 77 0.195 1.545 -5.543 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -0.410 0.444 -7.733 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.641 -0.472 -6.887 1.00 0.00 H new ATOM 1166 N TYR A 78 -1.704 1.485 -3.846 1.00 0.00 N ATOM 1167 CA TYR A 78 -2.576 1.429 -2.674 1.00 0.00 C ATOM 1168 C TYR A 78 -3.695 0.408 -2.862 1.00 0.00 C ATOM 1169 O TYR A 78 -4.137 -0.223 -1.901 1.00 0.00 O ATOM 1170 CB TYR A 78 -3.182 2.804 -2.381 1.00 0.00 C ATOM 1171 CG TYR A 78 -4.016 2.832 -1.117 1.00 0.00 C ATOM 1172 CD1 TYR A 78 -3.525 2.309 0.073 1.00 0.00 C ATOM 1173 CD2 TYR A 78 -5.294 3.377 -1.114 1.00 0.00 C ATOM 1174 CE1 TYR A 78 -4.283 2.326 1.228 1.00 0.00 C ATOM 1175 CE2 TYR A 78 -6.057 3.400 0.038 1.00 0.00 C ATOM 1176 CZ TYR A 78 -5.548 2.873 1.206 1.00 0.00 C ATOM 1177 OH TYR A 78 -6.306 2.892 2.354 1.00 0.00 O ATOM 0 H TYR A 78 -1.543 2.425 -4.209 1.00 0.00 H new ATOM 0 HA TYR A 78 -1.962 1.120 -1.828 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.380 3.537 -2.295 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.802 3.108 -3.224 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -2.533 1.882 0.095 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.698 3.789 -2.027 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -3.886 1.913 2.144 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -7.048 3.829 0.023 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.171 3.313 2.168 1.00 0.00 H new ATOM 1187 N GLY A 79 -4.150 0.254 -4.102 1.00 0.00 N ATOM 1188 CA GLY A 79 -5.217 -0.688 -4.392 1.00 0.00 C ATOM 1189 C GLY A 79 -4.927 -2.082 -3.869 1.00 0.00 C ATOM 1190 O GLY A 79 -5.785 -2.707 -3.248 1.00 0.00 O ATOM 0 H GLY A 79 -3.799 0.765 -4.912 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.146 -0.325 -3.951 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.372 -0.734 -5.470 1.00 0.00 H new ATOM 1194 N GLU A 80 -3.718 -2.571 -4.126 1.00 0.00 N ATOM 1195 CA GLU A 80 -3.316 -3.901 -3.679 1.00 0.00 C ATOM 1196 C GLU A 80 -2.711 -3.857 -2.278 1.00 0.00 C ATOM 1197 O GLU A 80 -2.840 -4.807 -1.504 1.00 0.00 O ATOM 1198 CB GLU A 80 -2.318 -4.503 -4.668 1.00 0.00 C ATOM 1199 CG GLU A 80 -1.129 -3.602 -4.952 1.00 0.00 C ATOM 1200 CD GLU A 80 -0.218 -4.161 -6.026 1.00 0.00 C ATOM 1201 OE1 GLU A 80 -0.479 -5.289 -6.497 1.00 0.00 O ATOM 1202 OE2 GLU A 80 0.755 -3.471 -6.396 1.00 0.00 O ATOM 0 H GLU A 80 -2.998 -2.065 -4.642 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.206 -4.529 -3.638 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.958 -5.454 -4.275 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.832 -4.719 -5.605 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.487 -2.620 -5.260 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -0.558 -3.460 -4.034 1.00 0.00 H new ATOM 1209 N PHE A 81 -2.046 -2.751 -1.965 1.00 0.00 N ATOM 1210 CA PHE A 81 -1.408 -2.569 -0.664 1.00 0.00 C ATOM 1211 C PHE A 81 -2.411 -2.719 0.481 1.00 0.00 C ATOM 1212 O PHE A 81 -2.028 -2.989 1.620 1.00 0.00 O ATOM 1213 CB PHE A 81 -0.743 -1.190 -0.602 1.00 0.00 C ATOM 1214 CG PHE A 81 -0.040 -0.900 0.697 1.00 0.00 C ATOM 1215 CD1 PHE A 81 0.785 -1.846 1.285 1.00 0.00 C ATOM 1216 CD2 PHE A 81 -0.205 0.323 1.326 1.00 0.00 C ATOM 1217 CE1 PHE A 81 1.433 -1.576 2.476 1.00 0.00 C ATOM 1218 CE2 PHE A 81 0.440 0.599 2.517 1.00 0.00 C ATOM 1219 CZ PHE A 81 1.259 -0.352 3.093 1.00 0.00 C ATOM 0 H PHE A 81 -1.933 -1.960 -2.599 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.652 -3.346 -0.547 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -0.024 -1.109 -1.417 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -1.502 -0.426 -0.770 1.00 0.00 H new ATOM 0 HD1 PHE A 81 0.923 -2.805 0.807 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.845 1.070 0.881 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.074 -2.321 2.924 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.304 1.557 2.996 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.763 -0.139 4.024 1.00 0.00 H new ATOM 1229 N ILE A 82 -3.693 -2.537 0.176 1.00 0.00 N ATOM 1230 CA ILE A 82 -4.744 -2.646 1.186 1.00 0.00 C ATOM 1231 C ILE A 82 -4.720 -4.010 1.874 1.00 0.00 C ATOM 1232 O ILE A 82 -5.194 -4.154 3.001 1.00 0.00 O ATOM 1233 CB ILE A 82 -6.140 -2.416 0.571 1.00 0.00 C ATOM 1234 CG1 ILE A 82 -7.218 -2.417 1.660 1.00 0.00 C ATOM 1235 CG2 ILE A 82 -6.440 -3.481 -0.473 1.00 0.00 C ATOM 1236 CD1 ILE A 82 -7.064 -1.300 2.670 1.00 0.00 C ATOM 0 H ILE A 82 -4.030 -2.314 -0.761 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.547 -1.871 1.927 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.145 -1.440 0.085 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -8.198 -2.336 1.189 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.193 -3.373 2.183 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.428 -3.306 -0.898 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.692 -3.436 -1.264 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.415 -4.466 -0.006 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.862 -1.365 3.409 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.099 -1.391 3.169 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -7.119 -0.338 2.160 1.00 0.00 H new ATOM 1248 N ALA A 83 -4.170 -5.007 1.187 1.00 0.00 N ATOM 1249 CA ALA A 83 -4.088 -6.359 1.730 1.00 0.00 C ATOM 1250 C ALA A 83 -3.450 -6.362 3.116 1.00 0.00 C ATOM 1251 O ALA A 83 -4.047 -6.834 4.083 1.00 0.00 O ATOM 1252 CB ALA A 83 -3.308 -7.261 0.785 1.00 0.00 C ATOM 0 H ALA A 83 -3.774 -4.904 0.253 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.103 -6.744 1.828 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.255 -8.266 1.203 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.810 -7.296 -0.182 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.300 -6.868 0.656 1.00 0.00 H new ATOM 1258 N ALA A 84 -2.236 -5.831 3.205 1.00 0.00 N ATOM 1259 CA ALA A 84 -1.519 -5.771 4.473 1.00 0.00 C ATOM 1260 C ALA A 84 -0.864 -4.408 4.670 1.00 0.00 C ATOM 1261 O ALA A 84 0.073 -4.050 3.957 1.00 0.00 O ATOM 1262 CB ALA A 84 -0.476 -6.877 4.542 1.00 0.00 C ATOM 0 H ALA A 84 -1.728 -5.436 2.414 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.240 -5.917 5.277 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.052 -6.820 5.494 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -0.967 -7.846 4.457 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.236 -6.758 3.725 1.00 0.00 H new ATOM 1268 N THR A 85 -1.365 -3.652 5.643 1.00 0.00 N ATOM 1269 CA THR A 85 -0.829 -2.327 5.935 1.00 0.00 C ATOM 1270 C THR A 85 -0.255 -2.269 7.347 1.00 0.00 C ATOM 1271 O THR A 85 -0.627 -3.063 8.212 1.00 0.00 O ATOM 1272 CB THR A 85 -1.918 -1.265 5.772 1.00 0.00 C ATOM 1273 OG1 THR A 85 -1.402 0.027 6.042 1.00 0.00 O ATOM 1274 CG2 THR A 85 -3.108 -1.482 6.682 1.00 0.00 C ATOM 0 H THR A 85 -2.141 -3.934 6.242 1.00 0.00 H new ATOM 0 HA THR A 85 -0.025 -2.126 5.227 1.00 0.00 H new ATOM 0 HB THR A 85 -2.252 -1.350 4.738 1.00 0.00 H new ATOM 0 HG1 THR A 85 -2.112 0.693 5.931 1.00 0.00 H new ATOM 0 HG21 THR A 85 -3.842 -0.694 6.515 1.00 0.00 H new ATOM 0 HG22 THR A 85 -3.560 -2.450 6.466 1.00 0.00 H new ATOM 0 HG23 THR A 85 -2.780 -1.458 7.721 1.00 0.00 H new ATOM 1282 N VAL A 86 0.653 -1.325 7.572 1.00 0.00 N ATOM 1283 CA VAL A 86 1.281 -1.161 8.877 1.00 0.00 C ATOM 1284 C VAL A 86 0.747 0.077 9.592 1.00 0.00 C ATOM 1285 O VAL A 86 0.769 1.180 9.045 1.00 0.00 O ATOM 1286 CB VAL A 86 2.812 -1.049 8.751 1.00 0.00 C ATOM 1287 CG1 VAL A 86 3.460 -0.955 10.125 1.00 0.00 C ATOM 1288 CG2 VAL A 86 3.370 -2.230 7.971 1.00 0.00 C ATOM 0 H VAL A 86 0.970 -0.661 6.866 1.00 0.00 H new ATOM 0 HA VAL A 86 1.036 -2.048 9.462 1.00 0.00 H new ATOM 0 HB VAL A 86 3.046 -0.136 8.204 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.541 -0.877 10.013 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.084 -0.074 10.645 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.219 -1.847 10.703 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.453 -2.135 7.892 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.124 -3.157 8.489 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.933 -2.246 6.973 1.00 0.00 H new ATOM 1298 N HIS A 87 0.269 -0.116 10.818 1.00 0.00 N ATOM 1299 CA HIS A 87 -0.270 0.982 11.612 1.00 0.00 C ATOM 1300 C HIS A 87 -0.182 0.669 13.103 1.00 0.00 C ATOM 1301 O HIS A 87 -0.879 1.343 13.891 1.00 0.00 O ATOM 1302 CB HIS A 87 -1.724 1.259 11.219 1.00 0.00 C ATOM 1303 CG HIS A 87 -2.622 0.069 11.364 1.00 0.00 C ATOM 1304 ND1 HIS A 87 -2.836 -0.573 12.566 1.00 0.00 N ATOM 1305 CD2 HIS A 87 -3.363 -0.598 10.448 1.00 0.00 C ATOM 1306 CE1 HIS A 87 -3.667 -1.583 12.382 1.00 0.00 C ATOM 1307 NE2 HIS A 87 -4.002 -1.619 11.106 1.00 0.00 N ATOM 1308 OXT HIS A 87 0.581 -0.248 13.470 1.00 0.00 O ATOM 0 H HIS A 87 0.244 -1.024 11.283 1.00 0.00 H new ATOM 0 HA HIS A 87 0.327 1.871 11.411 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -2.109 2.072 11.835 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.753 1.602 10.185 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -3.437 -0.369 9.395 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -4.013 -2.264 13.146 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -4.634 -2.296 10.678 1.00 0.00 H new TER 1317 HIS A 87 HETATM 1318 CA CA A 88 7.058 6.436 -6.880 1.00 0.00 CA HETATM 1319 CA CA A 89 3.140 -3.671 -7.976 1.00 0.00 CA