USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 523 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 153:sc= 0.621 (180deg=0.27) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 164:sc= 0 (180deg=-0.451) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -172:sc=-0.00264 (180deg=-0.087) USER MOD Single : A 23 THR OG1 : rot -19:sc= 0.995 USER MOD Single : A 26 ASN :FLIP amide:sc= -0.303 F(o=-1.3,f=-0.3) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.297 USER MOD Single : A 32 ASN : amide:sc= -0.0706 K(o=-0.071,f=-2.2!) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.335) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 73:sc= 0.62 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 58 MET CE :methyl -168:sc=-0.00365 (180deg=-0.361) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -1.01 X(o=-1,f=-1.1) USER MOD Single : A 70 SER OG : rot -128:sc= -0.659 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-2.3!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.999 9.013 -5.623 1.00 0.00 N ATOM 2 CA MET A 1 -10.761 8.312 -5.944 1.00 0.00 C ATOM 3 C MET A 1 -11.052 6.979 -6.626 1.00 0.00 C ATOM 4 O MET A 1 -11.899 6.211 -6.172 1.00 0.00 O ATOM 5 CB MET A 1 -9.939 8.080 -4.675 1.00 0.00 C ATOM 6 CG MET A 1 -9.189 9.316 -4.201 1.00 0.00 C ATOM 7 SD MET A 1 -10.227 10.426 -3.230 1.00 0.00 S ATOM 8 CE MET A 1 -9.334 10.449 -1.677 1.00 0.00 C ATOM 0 H1 MET A 1 -11.843 9.636 -4.805 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.297 9.583 -6.440 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.741 8.321 -5.395 1.00 0.00 H new ATOM 0 HA MET A 1 -10.188 8.934 -6.632 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.602 7.740 -3.879 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.223 7.278 -4.857 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.332 9.009 -3.602 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.798 9.853 -5.065 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.853 11.095 -0.969 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.280 9.438 -1.274 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.326 10.828 -1.843 1.00 0.00 H new ATOM 16 N ALA A 2 -10.344 6.712 -7.719 1.00 0.00 N ATOM 17 CA ALA A 2 -10.526 5.470 -8.462 1.00 0.00 C ATOM 18 C ALA A 2 -9.191 4.776 -8.703 1.00 0.00 C ATOM 19 O ALA A 2 -8.302 5.326 -9.353 1.00 0.00 O ATOM 20 CB ALA A 2 -11.226 5.745 -9.783 1.00 0.00 C ATOM 0 H ALA A 2 -9.640 7.338 -8.109 1.00 0.00 H new ATOM 0 HA ALA A 2 -11.149 4.805 -7.865 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.356 4.810 -10.328 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.202 6.192 -9.592 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.623 6.431 -10.378 1.00 0.00 H new ATOM 26 N ARG A 3 -9.056 3.563 -8.174 1.00 0.00 N ATOM 27 CA ARG A 3 -7.828 2.793 -8.331 1.00 0.00 C ATOM 28 C ARG A 3 -8.116 1.295 -8.292 1.00 0.00 C ATOM 29 O ARG A 3 -9.271 0.877 -8.217 1.00 0.00 O ATOM 30 CB ARG A 3 -6.827 3.160 -7.234 1.00 0.00 C ATOM 31 CG ARG A 3 -6.232 4.550 -7.391 1.00 0.00 C ATOM 32 CD ARG A 3 -5.424 4.668 -8.674 1.00 0.00 C ATOM 33 NE ARG A 3 -4.729 5.948 -8.767 1.00 0.00 N ATOM 34 CZ ARG A 3 -4.126 6.379 -9.870 1.00 0.00 C ATOM 35 NH1 ARG A 3 -4.133 5.634 -10.967 1.00 0.00 N ATOM 36 NH2 ARG A 3 -3.514 7.556 -9.877 1.00 0.00 N ATOM 0 H ARG A 3 -9.782 3.093 -7.633 1.00 0.00 H new ATOM 0 HA ARG A 3 -7.398 3.037 -9.302 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -7.322 3.094 -6.265 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -6.020 2.427 -7.230 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -7.031 5.291 -7.394 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -5.594 4.773 -6.536 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -4.697 3.857 -8.721 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -6.087 4.552 -9.532 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.705 6.545 -7.940 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -4.602 4.728 -10.965 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -3.670 5.967 -11.812 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -3.506 8.132 -9.035 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -3.052 7.885 -10.724 1.00 0.00 H new ATOM 47 N GLY A 4 -7.058 0.492 -8.343 1.00 0.00 N ATOM 48 CA GLY A 4 -7.218 -0.950 -8.312 1.00 0.00 C ATOM 49 C GLY A 4 -8.077 -1.413 -7.152 1.00 0.00 C ATOM 50 O GLY A 4 -8.420 -0.624 -6.271 1.00 0.00 O ATOM 0 H GLY A 4 -6.092 0.814 -8.405 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.667 -1.283 -9.248 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.237 -1.420 -8.244 1.00 0.00 H new ATOM 54 N SER A 5 -8.424 -2.696 -7.150 1.00 0.00 N ATOM 55 CA SER A 5 -9.252 -3.262 -6.091 1.00 0.00 C ATOM 56 C SER A 5 -8.790 -4.672 -5.736 1.00 0.00 C ATOM 57 O SER A 5 -8.171 -5.359 -6.549 1.00 0.00 O ATOM 58 CB SER A 5 -10.720 -3.287 -6.522 1.00 0.00 C ATOM 59 OG SER A 5 -11.237 -1.974 -6.647 1.00 0.00 O ATOM 0 H SER A 5 -8.145 -3.363 -7.869 1.00 0.00 H new ATOM 0 HA SER A 5 -9.151 -2.632 -5.207 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.814 -3.810 -7.474 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.307 -3.844 -5.792 1.00 0.00 H new ATOM 0 HG SER A 5 -12.176 -2.017 -6.925 1.00 0.00 H new ATOM 64 N VAL A 6 -9.095 -5.097 -4.513 1.00 0.00 N ATOM 65 CA VAL A 6 -8.712 -6.425 -4.049 1.00 0.00 C ATOM 66 C VAL A 6 -9.938 -7.250 -3.675 1.00 0.00 C ATOM 67 O VAL A 6 -10.977 -6.705 -3.303 1.00 0.00 O ATOM 68 CB VAL A 6 -7.771 -6.344 -2.832 1.00 0.00 C ATOM 69 CG1 VAL A 6 -6.337 -6.112 -3.281 1.00 0.00 C ATOM 70 CG2 VAL A 6 -8.225 -5.248 -1.880 1.00 0.00 C ATOM 0 H VAL A 6 -9.606 -4.541 -3.827 1.00 0.00 H new ATOM 0 HA VAL A 6 -8.188 -6.910 -4.873 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.810 -7.294 -2.300 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.687 -6.058 -2.408 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.018 -6.935 -3.920 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.277 -5.177 -3.837 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.549 -5.205 -1.026 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.216 -4.289 -2.398 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.235 -5.464 -1.532 1.00 0.00 H new ATOM 80 N SER A 7 -9.810 -8.570 -3.777 1.00 0.00 N ATOM 81 CA SER A 7 -10.909 -9.472 -3.453 1.00 0.00 C ATOM 82 C SER A 7 -11.385 -9.255 -2.020 1.00 0.00 C ATOM 83 O SER A 7 -10.705 -8.615 -1.218 1.00 0.00 O ATOM 84 CB SER A 7 -10.476 -10.927 -3.643 1.00 0.00 C ATOM 85 OG SER A 7 -11.036 -11.475 -4.824 1.00 0.00 O ATOM 0 H SER A 7 -8.956 -9.038 -4.081 1.00 0.00 H new ATOM 0 HA SER A 7 -11.736 -9.255 -4.129 1.00 0.00 H new ATOM 0 HB2 SER A 7 -9.389 -10.983 -3.692 1.00 0.00 H new ATOM 0 HB3 SER A 7 -10.787 -11.518 -2.781 1.00 0.00 H new ATOM 0 HG SER A 7 -10.743 -12.405 -4.924 1.00 0.00 H new ATOM 90 N ASP A 8 -12.560 -9.791 -1.706 1.00 0.00 N ATOM 91 CA ASP A 8 -13.128 -9.658 -0.370 1.00 0.00 C ATOM 92 C ASP A 8 -12.129 -10.105 0.693 1.00 0.00 C ATOM 93 O ASP A 8 -11.914 -9.410 1.686 1.00 0.00 O ATOM 94 CB ASP A 8 -14.414 -10.478 -0.256 1.00 0.00 C ATOM 95 CG ASP A 8 -15.659 -9.623 -0.388 1.00 0.00 C ATOM 96 OD1 ASP A 8 -16.162 -9.479 -1.523 1.00 0.00 O ATOM 97 OD2 ASP A 8 -16.132 -9.101 0.642 1.00 0.00 O ATOM 0 H ASP A 8 -13.137 -10.321 -2.359 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.361 -8.606 -0.204 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.421 -11.247 -1.029 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.430 -10.992 0.705 1.00 0.00 H new ATOM 101 N GLU A 9 -11.524 -11.268 0.477 1.00 0.00 N ATOM 102 CA GLU A 9 -10.549 -11.808 1.418 1.00 0.00 C ATOM 103 C GLU A 9 -9.463 -10.780 1.725 1.00 0.00 C ATOM 104 O GLU A 9 -9.288 -10.371 2.873 1.00 0.00 O ATOM 105 CB GLU A 9 -9.917 -13.083 0.857 1.00 0.00 C ATOM 106 CG GLU A 9 -10.768 -14.324 1.060 1.00 0.00 C ATOM 107 CD GLU A 9 -11.021 -14.626 2.524 1.00 0.00 C ATOM 108 OE1 GLU A 9 -12.167 -14.430 2.980 1.00 0.00 O ATOM 109 OE2 GLU A 9 -10.074 -15.057 3.214 1.00 0.00 O ATOM 0 H GLU A 9 -11.691 -11.855 -0.341 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.070 -12.048 2.345 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.734 -12.949 -0.209 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.947 -13.236 1.330 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.722 -14.193 0.550 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.274 -15.178 0.597 1.00 0.00 H new ATOM 114 N GLU A 10 -8.737 -10.368 0.690 1.00 0.00 N ATOM 115 CA GLU A 10 -7.666 -9.390 0.850 1.00 0.00 C ATOM 116 C GLU A 10 -8.217 -8.060 1.358 1.00 0.00 C ATOM 117 O GLU A 10 -7.823 -7.581 2.421 1.00 0.00 O ATOM 118 CB GLU A 10 -6.938 -9.178 -0.479 1.00 0.00 C ATOM 119 CG GLU A 10 -5.477 -9.598 -0.445 1.00 0.00 C ATOM 120 CD GLU A 10 -5.206 -10.836 -1.278 1.00 0.00 C ATOM 121 OE1 GLU A 10 -5.672 -10.883 -2.436 1.00 0.00 O ATOM 122 OE2 GLU A 10 -4.530 -11.756 -0.772 1.00 0.00 O ATOM 0 H GLU A 10 -8.870 -10.695 -0.267 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.961 -9.777 1.585 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.451 -9.740 -1.259 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.999 -8.125 -0.753 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.858 -8.777 -0.809 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.181 -9.787 0.587 1.00 0.00 H new ATOM 127 N MET A 11 -9.128 -7.472 0.592 1.00 0.00 N ATOM 128 CA MET A 11 -9.732 -6.198 0.964 1.00 0.00 C ATOM 129 C MET A 11 -9.953 -6.122 2.471 1.00 0.00 C ATOM 130 O MET A 11 -9.670 -5.101 3.099 1.00 0.00 O ATOM 131 CB MET A 11 -11.062 -6.007 0.233 1.00 0.00 C ATOM 132 CG MET A 11 -11.506 -4.555 0.148 1.00 0.00 C ATOM 133 SD MET A 11 -11.565 -3.944 -1.547 1.00 0.00 S ATOM 134 CE MET A 11 -10.409 -2.579 -1.456 1.00 0.00 C ATOM 0 H MET A 11 -9.465 -7.857 -0.291 1.00 0.00 H new ATOM 0 HA MET A 11 -9.048 -5.401 0.673 1.00 0.00 H new ATOM 0 HB2 MET A 11 -10.974 -6.411 -0.775 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.833 -6.585 0.742 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.492 -4.454 0.601 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.823 -3.936 0.730 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.118 -2.281 -2.463 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.880 -1.737 -0.950 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.524 -2.888 -0.900 1.00 0.00 H new ATOM 142 N MET A 12 -10.460 -7.208 3.047 1.00 0.00 N ATOM 143 CA MET A 12 -10.717 -7.262 4.482 1.00 0.00 C ATOM 144 C MET A 12 -9.410 -7.270 5.268 1.00 0.00 C ATOM 145 O MET A 12 -9.234 -6.489 6.202 1.00 0.00 O ATOM 146 CB MET A 12 -11.541 -8.505 4.827 1.00 0.00 C ATOM 147 CG MET A 12 -11.846 -8.639 6.309 1.00 0.00 C ATOM 148 SD MET A 12 -12.870 -7.292 6.933 1.00 0.00 S ATOM 149 CE MET A 12 -14.499 -8.030 6.828 1.00 0.00 C ATOM 0 H MET A 12 -10.701 -8.061 2.543 1.00 0.00 H new ATOM 0 HA MET A 12 -11.282 -6.372 4.759 1.00 0.00 H new ATOM 0 HB2 MET A 12 -12.479 -8.474 4.273 1.00 0.00 H new ATOM 0 HB3 MET A 12 -11.002 -9.392 4.494 1.00 0.00 H new ATOM 0 HG2 MET A 12 -12.352 -9.588 6.487 1.00 0.00 H new ATOM 0 HG3 MET A 12 -10.910 -8.667 6.867 1.00 0.00 H new ATOM 0 HE1 MET A 12 -15.245 -7.317 7.180 1.00 0.00 H new ATOM 0 HE2 MET A 12 -14.712 -8.296 5.793 1.00 0.00 H new ATOM 0 HE3 MET A 12 -14.533 -8.926 7.447 1.00 0.00 H new ATOM 157 N GLU A 13 -8.498 -8.158 4.883 1.00 0.00 N ATOM 158 CA GLU A 13 -7.208 -8.267 5.555 1.00 0.00 C ATOM 159 C GLU A 13 -6.365 -7.016 5.320 1.00 0.00 C ATOM 160 O GLU A 13 -6.004 -6.311 6.264 1.00 0.00 O ATOM 161 CB GLU A 13 -6.455 -9.504 5.062 1.00 0.00 C ATOM 162 CG GLU A 13 -6.753 -10.759 5.865 1.00 0.00 C ATOM 163 CD GLU A 13 -7.360 -11.862 5.019 1.00 0.00 C ATOM 164 OE1 GLU A 13 -6.940 -12.012 3.852 1.00 0.00 O ATOM 165 OE2 GLU A 13 -8.253 -12.574 5.523 1.00 0.00 O ATOM 0 H GLU A 13 -8.628 -8.811 4.111 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.391 -8.365 6.625 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.711 -9.682 4.017 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.384 -9.305 5.099 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.832 -11.121 6.321 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.436 -10.512 6.678 1.00 0.00 H new ATOM 170 N LEU A 14 -6.055 -6.748 4.057 1.00 0.00 N ATOM 171 CA LEU A 14 -5.254 -5.584 3.696 1.00 0.00 C ATOM 172 C LEU A 14 -5.740 -4.339 4.433 1.00 0.00 C ATOM 173 O LEU A 14 -4.944 -3.596 5.008 1.00 0.00 O ATOM 174 CB LEU A 14 -5.310 -5.350 2.185 1.00 0.00 C ATOM 175 CG LEU A 14 -5.163 -6.593 1.308 1.00 0.00 C ATOM 176 CD1 LEU A 14 -4.958 -6.199 -0.147 1.00 0.00 C ATOM 177 CD2 LEU A 14 -4.008 -7.457 1.796 1.00 0.00 C ATOM 0 H LEU A 14 -6.346 -7.321 3.265 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.222 -5.779 3.989 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.260 -4.872 1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.523 -4.646 1.917 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.082 -7.175 1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.855 -7.097 -0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.816 -5.623 -0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.055 -5.595 -0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.918 -8.338 1.160 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.082 -6.884 1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.196 -7.769 2.823 1.00 0.00 H new ATOM 188 N ARG A 15 -7.051 -4.121 4.414 1.00 0.00 N ATOM 189 CA ARG A 15 -7.643 -2.968 5.081 1.00 0.00 C ATOM 190 C ARG A 15 -7.396 -3.023 6.586 1.00 0.00 C ATOM 191 O ARG A 15 -6.997 -2.032 7.196 1.00 0.00 O ATOM 192 CB ARG A 15 -9.146 -2.905 4.802 1.00 0.00 C ATOM 193 CG ARG A 15 -9.876 -1.863 5.633 1.00 0.00 C ATOM 194 CD ARG A 15 -11.095 -2.456 6.324 1.00 0.00 C ATOM 195 NE ARG A 15 -11.078 -2.214 7.764 1.00 0.00 N ATOM 196 CZ ARG A 15 -11.297 -1.023 8.312 1.00 0.00 C ATOM 197 NH1 ARG A 15 -11.549 0.027 7.543 1.00 0.00 N ATOM 198 NH2 ARG A 15 -11.266 -0.882 9.631 1.00 0.00 N ATOM 0 H ARG A 15 -7.723 -4.728 3.944 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.169 -2.070 4.685 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.302 -2.689 3.745 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.584 -3.884 4.995 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.197 -1.451 6.380 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.185 -1.037 4.993 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -12.000 -2.026 5.895 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.132 -3.529 6.137 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.888 -3.002 8.383 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.575 -0.078 6.529 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -11.717 0.940 7.966 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.074 -1.688 10.226 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -11.434 0.033 10.050 1.00 0.00 H new ATOM 209 N GLU A 16 -7.635 -4.190 7.176 1.00 0.00 N ATOM 210 CA GLU A 16 -7.440 -4.375 8.610 1.00 0.00 C ATOM 211 C GLU A 16 -6.059 -3.885 9.038 1.00 0.00 C ATOM 212 O GLU A 16 -5.938 -2.985 9.867 1.00 0.00 O ATOM 213 CB GLU A 16 -7.609 -5.848 8.985 1.00 0.00 C ATOM 214 CG GLU A 16 -8.982 -6.178 9.547 1.00 0.00 C ATOM 215 CD GLU A 16 -9.214 -7.672 9.678 1.00 0.00 C ATOM 216 OE1 GLU A 16 -8.223 -8.432 9.632 1.00 0.00 O ATOM 217 OE2 GLU A 16 -10.385 -8.080 9.828 1.00 0.00 O ATOM 0 H GLU A 16 -7.964 -5.021 6.684 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.194 -3.786 9.132 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.429 -6.462 8.103 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.850 -6.117 9.720 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.093 -5.710 10.525 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.748 -5.750 8.900 1.00 0.00 H new ATOM 222 N ALA A 17 -5.021 -4.487 8.465 1.00 0.00 N ATOM 223 CA ALA A 17 -3.649 -4.111 8.786 1.00 0.00 C ATOM 224 C ALA A 17 -3.403 -2.633 8.502 1.00 0.00 C ATOM 225 O ALA A 17 -2.980 -1.884 9.383 1.00 0.00 O ATOM 226 CB ALA A 17 -2.670 -4.971 8.001 1.00 0.00 C ATOM 0 H ALA A 17 -5.104 -5.236 7.777 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.492 -4.280 9.851 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.649 -4.680 8.250 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.821 -6.020 8.257 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.837 -4.830 6.933 1.00 0.00 H new ATOM 232 N PHE A 18 -3.671 -2.220 7.269 1.00 0.00 N ATOM 233 CA PHE A 18 -3.478 -0.830 6.869 1.00 0.00 C ATOM 234 C PHE A 18 -3.944 0.121 7.966 1.00 0.00 C ATOM 235 O PHE A 18 -3.183 0.968 8.434 1.00 0.00 O ATOM 236 CB PHE A 18 -4.235 -0.541 5.571 1.00 0.00 C ATOM 237 CG PHE A 18 -4.140 0.891 5.128 1.00 0.00 C ATOM 238 CD1 PHE A 18 -3.233 1.269 4.152 1.00 0.00 C ATOM 239 CD2 PHE A 18 -4.956 1.860 5.690 1.00 0.00 C ATOM 240 CE1 PHE A 18 -3.143 2.586 3.742 1.00 0.00 C ATOM 241 CE2 PHE A 18 -4.870 3.179 5.284 1.00 0.00 C ATOM 242 CZ PHE A 18 -3.962 3.542 4.309 1.00 0.00 C ATOM 0 H PHE A 18 -4.023 -2.827 6.529 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.413 -0.670 6.703 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.845 -1.184 4.782 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.285 -0.802 5.706 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.588 0.526 3.706 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.667 1.582 6.454 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.433 2.867 2.979 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.512 3.925 5.729 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.893 4.572 3.991 1.00 0.00 H new ATOM 251 N ALA A 19 -5.202 -0.024 8.372 1.00 0.00 N ATOM 252 CA ALA A 19 -5.770 0.821 9.416 1.00 0.00 C ATOM 253 C ALA A 19 -4.870 0.853 10.647 1.00 0.00 C ATOM 254 O ALA A 19 -4.591 1.919 11.197 1.00 0.00 O ATOM 255 CB ALA A 19 -7.162 0.335 9.789 1.00 0.00 C ATOM 0 H ALA A 19 -5.847 -0.718 7.994 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.844 1.836 9.027 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.574 0.975 10.569 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.807 0.372 8.911 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.104 -0.690 10.154 1.00 0.00 H new ATOM 261 N LYS A 20 -4.420 -0.321 11.075 1.00 0.00 N ATOM 262 CA LYS A 20 -3.552 -0.429 12.242 1.00 0.00 C ATOM 263 C LYS A 20 -2.315 0.448 12.082 1.00 0.00 C ATOM 264 O LYS A 20 -1.742 0.919 13.065 1.00 0.00 O ATOM 265 CB LYS A 20 -3.133 -1.885 12.459 1.00 0.00 C ATOM 266 CG LYS A 20 -4.293 -2.864 12.416 1.00 0.00 C ATOM 267 CD LYS A 20 -4.302 -3.771 13.636 1.00 0.00 C ATOM 268 CE LYS A 20 -2.962 -4.464 13.824 1.00 0.00 C ATOM 269 NZ LYS A 20 -2.574 -5.257 12.624 1.00 0.00 N ATOM 0 H LYS A 20 -4.642 -1.212 10.631 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.111 -0.085 13.112 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.406 -2.163 11.696 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.632 -1.970 13.423 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.233 -2.314 12.363 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.226 -3.469 11.512 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.538 -3.185 14.525 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.088 -4.519 13.529 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.194 -3.719 14.031 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.011 -5.121 14.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.727 -5.820 12.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.354 -5.892 12.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.370 -4.613 11.833 1.00 0.00 H new ATOM 279 N VAL A 21 -1.907 0.668 10.835 1.00 0.00 N ATOM 280 CA VAL A 21 -0.739 1.491 10.546 1.00 0.00 C ATOM 281 C VAL A 21 -1.147 2.834 9.952 1.00 0.00 C ATOM 282 O VAL A 21 -0.298 3.630 9.549 1.00 0.00 O ATOM 283 CB VAL A 21 0.222 0.781 9.573 1.00 0.00 C ATOM 284 CG1 VAL A 21 1.551 0.491 10.251 1.00 0.00 C ATOM 285 CG2 VAL A 21 -0.407 -0.498 9.042 1.00 0.00 C ATOM 0 H VAL A 21 -2.369 0.287 10.009 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.226 1.657 11.493 1.00 0.00 H new ATOM 0 HB VAL A 21 0.411 1.443 8.728 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.216 -0.011 9.548 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.005 1.427 10.576 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.386 -0.152 11.116 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.285 -0.987 8.356 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.627 -1.168 9.873 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.330 -0.258 8.515 1.00 0.00 H new ATOM 295 N ASP A 22 -2.451 3.080 9.901 1.00 0.00 N ATOM 296 CA ASP A 22 -2.973 4.329 9.357 1.00 0.00 C ATOM 297 C ASP A 22 -3.554 5.204 10.464 1.00 0.00 C ATOM 298 O ASP A 22 -4.654 5.740 10.333 1.00 0.00 O ATOM 299 CB ASP A 22 -4.042 4.043 8.301 1.00 0.00 C ATOM 300 CG ASP A 22 -4.494 5.297 7.580 1.00 0.00 C ATOM 301 OD1 ASP A 22 -5.718 5.476 7.411 1.00 0.00 O ATOM 302 OD2 ASP A 22 -3.623 6.101 7.186 1.00 0.00 O ATOM 0 H ASP A 22 -3.166 2.431 10.230 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.147 4.866 8.890 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.650 3.331 7.575 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.902 3.571 8.777 1.00 0.00 H new ATOM 306 N THR A 23 -2.808 5.341 11.556 1.00 0.00 N ATOM 307 CA THR A 23 -3.249 6.147 12.687 1.00 0.00 C ATOM 308 C THR A 23 -2.965 7.626 12.452 1.00 0.00 C ATOM 309 O THR A 23 -3.177 8.457 13.335 1.00 0.00 O ATOM 310 CB THR A 23 -2.563 5.706 13.994 1.00 0.00 C ATOM 311 OG1 THR A 23 -3.006 6.527 15.081 1.00 0.00 O ATOM 312 CG2 THR A 23 -1.050 5.795 13.867 1.00 0.00 C ATOM 0 H THR A 23 -1.895 4.904 11.681 1.00 0.00 H new ATOM 0 HA THR A 23 -4.324 5.996 12.781 1.00 0.00 H new ATOM 0 HB THR A 23 -2.834 4.669 14.190 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.394 7.355 14.729 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.587 5.479 14.802 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.714 5.146 13.058 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.763 6.824 13.650 1.00 0.00 H new ATOM 320 N ASP A 24 -2.485 7.949 11.255 1.00 0.00 N ATOM 321 CA ASP A 24 -2.174 9.329 10.903 1.00 0.00 C ATOM 322 C ASP A 24 -3.428 10.196 10.943 1.00 0.00 C ATOM 323 O ASP A 24 -3.347 11.424 10.967 1.00 0.00 O ATOM 324 CB ASP A 24 -1.539 9.393 9.513 1.00 0.00 C ATOM 325 CG ASP A 24 -0.355 8.457 9.374 1.00 0.00 C ATOM 326 OD1 ASP A 24 -0.213 7.834 8.300 1.00 0.00 O ATOM 327 OD2 ASP A 24 0.431 8.347 10.338 1.00 0.00 O ATOM 0 H ASP A 24 -2.303 7.273 10.513 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.465 9.713 11.636 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.288 9.141 8.763 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.217 10.414 9.311 1.00 0.00 H new ATOM 331 N GLY A 25 -4.590 9.549 10.950 1.00 0.00 N ATOM 332 CA GLY A 25 -5.845 10.277 10.986 1.00 0.00 C ATOM 333 C GLY A 25 -6.094 11.067 9.716 1.00 0.00 C ATOM 334 O GLY A 25 -6.925 11.974 9.695 1.00 0.00 O ATOM 0 H GLY A 25 -4.684 8.534 10.931 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.664 9.575 11.140 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.843 10.956 11.838 1.00 0.00 H new ATOM 338 N ASN A 26 -5.370 10.723 8.657 1.00 0.00 N ATOM 339 CA ASN A 26 -5.515 11.408 7.377 1.00 0.00 C ATOM 340 C ASN A 26 -6.093 10.473 6.321 1.00 0.00 C ATOM 341 O ASN A 26 -6.619 10.918 5.302 1.00 0.00 O ATOM 342 CB ASN A 26 -4.162 11.951 6.910 1.00 0.00 C ATOM 343 CG ASN A 26 -3.470 12.775 7.977 1.00 0.00 C ATOM 344 OD1 ASN A 26 -2.284 12.338 8.386 1.00 0.00 O flip ATOM 345 ND2 ASN A 26 -3.994 13.793 8.428 1.00 0.00 N flip ATOM 0 H ASN A 26 -4.677 9.974 8.659 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.205 12.240 7.515 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.519 11.119 6.624 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.307 12.563 6.020 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.907 14.092 8.085 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.516 14.338 9.145 1.00 0.00 H new ATOM 351 N GLY A 27 -5.992 9.171 6.571 1.00 0.00 N ATOM 352 CA GLY A 27 -6.509 8.191 5.634 1.00 0.00 C ATOM 353 C GLY A 27 -5.406 7.441 4.912 1.00 0.00 C ATOM 354 O GLY A 27 -5.618 6.329 4.429 1.00 0.00 O ATOM 0 H GLY A 27 -5.561 8.777 7.407 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.139 7.479 6.168 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.143 8.692 4.902 1.00 0.00 H new ATOM 358 N TYR A 28 -4.229 8.049 4.840 1.00 0.00 N ATOM 359 CA TYR A 28 -3.090 7.432 4.169 1.00 0.00 C ATOM 360 C TYR A 28 -1.963 7.151 5.157 1.00 0.00 C ATOM 361 O TYR A 28 -1.815 7.848 6.161 1.00 0.00 O ATOM 362 CB TYR A 28 -2.583 8.336 3.043 1.00 0.00 C ATOM 363 CG TYR A 28 -2.703 9.811 3.351 1.00 0.00 C ATOM 364 CD1 TYR A 28 -1.902 10.406 4.318 1.00 0.00 C ATOM 365 CD2 TYR A 28 -3.617 10.610 2.675 1.00 0.00 C ATOM 366 CE1 TYR A 28 -2.008 11.754 4.603 1.00 0.00 C ATOM 367 CE2 TYR A 28 -3.728 11.959 2.954 1.00 0.00 C ATOM 368 CZ TYR A 28 -2.922 12.526 3.918 1.00 0.00 C ATOM 369 OH TYR A 28 -3.031 13.868 4.199 1.00 0.00 O ATOM 0 H TYR A 28 -4.037 8.969 5.238 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.421 6.484 3.744 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.538 8.099 2.841 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -3.141 8.117 2.133 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.184 9.805 4.856 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -4.251 10.170 1.919 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.378 12.200 5.358 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -4.443 12.566 2.419 1.00 0.00 H new ATOM 0 HH TYR A 28 -3.720 14.267 3.628 1.00 0.00 H new ATOM 378 N ILE A 29 -1.170 6.127 4.864 1.00 0.00 N ATOM 379 CA ILE A 29 -0.053 5.753 5.724 1.00 0.00 C ATOM 380 C ILE A 29 1.277 6.185 5.117 1.00 0.00 C ATOM 381 O ILE A 29 1.407 6.303 3.899 1.00 0.00 O ATOM 382 CB ILE A 29 -0.021 4.235 5.977 1.00 0.00 C ATOM 383 CG1 ILE A 29 0.236 3.483 4.669 1.00 0.00 C ATOM 384 CG2 ILE A 29 -1.325 3.775 6.611 1.00 0.00 C ATOM 385 CD1 ILE A 29 0.142 1.980 4.807 1.00 0.00 C ATOM 0 H ILE A 29 -1.280 5.540 4.037 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.200 6.268 6.674 1.00 0.00 H new ATOM 0 HB ILE A 29 0.793 4.014 6.667 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.483 3.817 3.921 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.227 3.744 4.298 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.286 2.699 6.783 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.469 4.290 7.561 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.155 4.006 5.944 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.335 1.513 3.841 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.879 1.634 5.531 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.857 1.708 5.148 1.00 0.00 H new ATOM 396 N SER A 30 2.264 6.420 5.975 1.00 0.00 N ATOM 397 CA SER A 30 3.585 6.840 5.525 1.00 0.00 C ATOM 398 C SER A 30 4.332 5.681 4.870 1.00 0.00 C ATOM 399 O SER A 30 3.954 4.519 5.024 1.00 0.00 O ATOM 400 CB SER A 30 4.399 7.386 6.701 1.00 0.00 C ATOM 401 OG SER A 30 5.741 7.637 6.319 1.00 0.00 O ATOM 0 H SER A 30 2.173 6.326 6.987 1.00 0.00 H new ATOM 0 HA SER A 30 3.454 7.629 4.785 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.943 8.306 7.067 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.379 6.672 7.524 1.00 0.00 H new ATOM 0 HG SER A 30 6.240 7.987 7.087 1.00 0.00 H new ATOM 406 N PHE A 31 5.392 6.006 4.139 1.00 0.00 N ATOM 407 CA PHE A 31 6.192 4.993 3.461 1.00 0.00 C ATOM 408 C PHE A 31 6.536 3.847 4.406 1.00 0.00 C ATOM 409 O PHE A 31 6.204 2.691 4.144 1.00 0.00 O ATOM 410 CB PHE A 31 7.475 5.614 2.905 1.00 0.00 C ATOM 411 CG PHE A 31 7.459 5.794 1.414 1.00 0.00 C ATOM 412 CD1 PHE A 31 6.644 6.750 0.829 1.00 0.00 C ATOM 413 CD2 PHE A 31 8.256 5.009 0.599 1.00 0.00 C ATOM 414 CE1 PHE A 31 6.625 6.919 -0.543 1.00 0.00 C ATOM 415 CE2 PHE A 31 8.243 5.173 -0.774 1.00 0.00 C ATOM 416 CZ PHE A 31 7.425 6.129 -1.345 1.00 0.00 C ATOM 0 H PHE A 31 5.717 6.963 4.001 1.00 0.00 H new ATOM 0 HA PHE A 31 5.602 4.594 2.636 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.634 6.583 3.378 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.321 4.984 3.177 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.017 7.370 1.452 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.896 4.259 1.041 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.986 7.668 -0.987 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.871 4.555 -1.399 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.411 6.258 -2.417 1.00 0.00 H new ATOM 425 N ASN A 32 7.202 4.176 5.508 1.00 0.00 N ATOM 426 CA ASN A 32 7.593 3.174 6.493 1.00 0.00 C ATOM 427 C ASN A 32 6.395 2.327 6.911 1.00 0.00 C ATOM 428 O ASN A 32 6.486 1.102 6.989 1.00 0.00 O ATOM 429 CB ASN A 32 8.208 3.849 7.721 1.00 0.00 C ATOM 430 CG ASN A 32 9.535 4.515 7.410 1.00 0.00 C ATOM 431 OD1 ASN A 32 9.859 4.768 6.250 1.00 0.00 O ATOM 432 ND2 ASN A 32 10.311 4.800 8.450 1.00 0.00 N ATOM 0 H ASN A 32 7.482 5.129 5.741 1.00 0.00 H new ATOM 0 HA ASN A 32 8.336 2.521 6.036 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.513 4.593 8.109 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.352 3.107 8.506 1.00 0.00 H new ATOM 0 HD21 ASN A 32 11.216 5.247 8.304 1.00 0.00 H new ATOM 0 HD22 ASN A 32 10.002 4.572 9.395 1.00 0.00 H new ATOM 438 N GLU A 33 5.274 2.989 7.179 1.00 0.00 N ATOM 439 CA GLU A 33 4.058 2.296 7.589 1.00 0.00 C ATOM 440 C GLU A 33 3.609 1.305 6.520 1.00 0.00 C ATOM 441 O GLU A 33 3.186 0.190 6.828 1.00 0.00 O ATOM 442 CB GLU A 33 2.940 3.302 7.869 1.00 0.00 C ATOM 443 CG GLU A 33 3.304 4.340 8.917 1.00 0.00 C ATOM 444 CD GLU A 33 2.096 5.105 9.424 1.00 0.00 C ATOM 445 OE1 GLU A 33 1.247 5.489 8.592 1.00 0.00 O ATOM 446 OE2 GLU A 33 2.001 5.321 10.650 1.00 0.00 O ATOM 0 H GLU A 33 5.182 4.003 7.120 1.00 0.00 H new ATOM 0 HA GLU A 33 4.277 1.744 8.503 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.680 3.811 6.941 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.051 2.763 8.197 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.796 3.847 9.756 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.023 5.042 8.494 1.00 0.00 H new ATOM 451 N LEU A 34 3.705 1.718 5.261 1.00 0.00 N ATOM 452 CA LEU A 34 3.308 0.867 4.144 1.00 0.00 C ATOM 453 C LEU A 34 4.067 -0.454 4.170 1.00 0.00 C ATOM 454 O LEU A 34 3.471 -1.521 4.314 1.00 0.00 O ATOM 455 CB LEU A 34 3.558 1.586 2.817 1.00 0.00 C ATOM 456 CG LEU A 34 3.739 0.690 1.591 1.00 0.00 C ATOM 457 CD1 LEU A 34 2.493 -0.150 1.356 1.00 0.00 C ATOM 458 CD2 LEU A 34 4.062 1.525 0.361 1.00 0.00 C ATOM 0 H LEU A 34 4.054 2.637 4.988 1.00 0.00 H new ATOM 0 HA LEU A 34 2.243 0.655 4.241 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.722 2.260 2.629 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.449 2.205 2.924 1.00 0.00 H new ATOM 0 HG LEU A 34 4.576 0.017 1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.640 -0.781 0.480 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.307 -0.777 2.228 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.638 0.506 1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.187 0.870 -0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.247 2.223 0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.984 2.081 0.531 1.00 0.00 H new ATOM 469 N ASN A 35 5.386 -0.376 4.032 1.00 0.00 N ATOM 470 CA ASN A 35 6.229 -1.567 4.042 1.00 0.00 C ATOM 471 C ASN A 35 5.870 -2.478 5.212 1.00 0.00 C ATOM 472 O ASN A 35 5.704 -3.686 5.044 1.00 0.00 O ATOM 473 CB ASN A 35 7.704 -1.173 4.122 1.00 0.00 C ATOM 474 CG ASN A 35 8.588 -2.326 4.558 1.00 0.00 C ATOM 475 OD1 ASN A 35 8.605 -3.383 3.926 1.00 0.00 O ATOM 476 ND2 ASN A 35 9.327 -2.128 5.643 1.00 0.00 N ATOM 0 H ASN A 35 5.895 0.500 3.912 1.00 0.00 H new ATOM 0 HA ASN A 35 6.056 -2.112 3.114 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.035 -0.814 3.147 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.819 -0.346 4.822 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.941 -2.868 5.984 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.281 -1.236 6.135 1.00 0.00 H new ATOM 482 N ASP A 36 5.750 -1.889 6.397 1.00 0.00 N ATOM 483 CA ASP A 36 5.409 -2.646 7.596 1.00 0.00 C ATOM 484 C ASP A 36 4.035 -3.295 7.456 1.00 0.00 C ATOM 485 O ASP A 36 3.815 -4.413 7.924 1.00 0.00 O ATOM 486 CB ASP A 36 5.435 -1.735 8.825 1.00 0.00 C ATOM 487 CG ASP A 36 6.582 -2.058 9.761 1.00 0.00 C ATOM 488 OD1 ASP A 36 7.464 -1.191 9.940 1.00 0.00 O ATOM 489 OD2 ASP A 36 6.600 -3.177 10.315 1.00 0.00 O ATOM 0 H ASP A 36 5.884 -0.890 6.553 1.00 0.00 H new ATOM 0 HA ASP A 36 6.152 -3.434 7.722 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.515 -0.697 8.502 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.492 -1.830 9.364 1.00 0.00 H new ATOM 493 N LEU A 37 3.115 -2.585 6.812 1.00 0.00 N ATOM 494 CA LEU A 37 1.762 -3.092 6.612 1.00 0.00 C ATOM 495 C LEU A 37 1.769 -4.330 5.722 1.00 0.00 C ATOM 496 O LEU A 37 1.062 -5.302 5.986 1.00 0.00 O ATOM 497 CB LEU A 37 0.878 -2.009 5.990 1.00 0.00 C ATOM 498 CG LEU A 37 -0.207 -2.497 5.030 1.00 0.00 C ATOM 499 CD1 LEU A 37 -1.120 -3.499 5.720 1.00 0.00 C ATOM 500 CD2 LEU A 37 -1.012 -1.322 4.493 1.00 0.00 C ATOM 0 H LEU A 37 3.281 -1.658 6.420 1.00 0.00 H new ATOM 0 HA LEU A 37 1.358 -3.370 7.585 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.399 -1.453 6.796 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.519 -1.308 5.456 1.00 0.00 H new ATOM 0 HG LEU A 37 0.276 -2.995 4.190 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.886 -3.835 5.021 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.534 -4.355 6.055 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.595 -3.026 6.579 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.780 -1.688 3.811 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.484 -0.795 5.322 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.349 -0.640 3.960 1.00 0.00 H new ATOM 511 N PHE A 38 2.576 -4.289 4.666 1.00 0.00 N ATOM 512 CA PHE A 38 2.678 -5.408 3.736 1.00 0.00 C ATOM 513 C PHE A 38 3.048 -6.693 4.471 1.00 0.00 C ATOM 514 O PHE A 38 2.351 -7.703 4.371 1.00 0.00 O ATOM 515 CB PHE A 38 3.716 -5.107 2.655 1.00 0.00 C ATOM 516 CG PHE A 38 3.119 -4.887 1.294 1.00 0.00 C ATOM 517 CD1 PHE A 38 2.582 -3.657 0.949 1.00 0.00 C ATOM 518 CD2 PHE A 38 3.094 -5.909 0.360 1.00 0.00 C ATOM 519 CE1 PHE A 38 2.031 -3.451 -0.301 1.00 0.00 C ATOM 520 CE2 PHE A 38 2.546 -5.709 -0.893 1.00 0.00 C ATOM 521 CZ PHE A 38 2.012 -4.478 -1.224 1.00 0.00 C ATOM 0 H PHE A 38 3.169 -3.492 4.433 1.00 0.00 H new ATOM 0 HA PHE A 38 1.705 -5.547 3.265 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.281 -4.220 2.942 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.424 -5.934 2.603 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.594 -2.850 1.666 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.508 -6.874 0.614 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.615 -2.487 -0.556 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.535 -6.514 -1.613 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.581 -4.320 -2.202 1.00 0.00 H new ATOM 530 N LYS A 39 4.152 -6.647 5.209 1.00 0.00 N ATOM 531 CA LYS A 39 4.619 -7.806 5.962 1.00 0.00 C ATOM 532 C LYS A 39 3.685 -8.107 7.130 1.00 0.00 C ATOM 533 O LYS A 39 3.484 -9.266 7.493 1.00 0.00 O ATOM 534 CB LYS A 39 6.038 -7.567 6.479 1.00 0.00 C ATOM 535 CG LYS A 39 6.967 -6.955 5.444 1.00 0.00 C ATOM 536 CD LYS A 39 8.426 -7.202 5.789 1.00 0.00 C ATOM 537 CE LYS A 39 8.840 -8.630 5.468 1.00 0.00 C ATOM 538 NZ LYS A 39 8.987 -8.850 4.003 1.00 0.00 N ATOM 0 H LYS A 39 4.741 -5.819 5.302 1.00 0.00 H new ATOM 0 HA LYS A 39 4.624 -8.665 5.292 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.993 -6.911 7.348 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.457 -8.515 6.816 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.748 -7.376 4.463 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.784 -5.882 5.379 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.055 -6.506 5.234 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.589 -7.004 6.848 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.784 -8.855 5.965 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.097 -9.321 5.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.501 -9.729 3.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.567 -8.050 3.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.996 -8.925 3.763 1.00 0.00 H new ATOM 548 N ALA A 40 3.116 -7.057 7.714 1.00 0.00 N ATOM 549 CA ALA A 40 2.201 -7.209 8.838 1.00 0.00 C ATOM 550 C ALA A 40 0.912 -7.901 8.407 1.00 0.00 C ATOM 551 O ALA A 40 0.266 -8.582 9.203 1.00 0.00 O ATOM 552 CB ALA A 40 1.895 -5.854 9.456 1.00 0.00 C ATOM 0 H ALA A 40 3.273 -6.091 7.426 1.00 0.00 H new ATOM 0 HA ALA A 40 2.685 -7.836 9.587 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.210 -5.983 10.294 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.820 -5.398 9.809 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.435 -5.208 8.708 1.00 0.00 H new ATOM 558 N ALA A 41 0.544 -7.720 7.142 1.00 0.00 N ATOM 559 CA ALA A 41 -0.667 -8.328 6.606 1.00 0.00 C ATOM 560 C ALA A 41 -0.355 -9.641 5.897 1.00 0.00 C ATOM 561 O ALA A 41 -1.153 -10.131 5.096 1.00 0.00 O ATOM 562 CB ALA A 41 -1.364 -7.365 5.655 1.00 0.00 C ATOM 0 H ALA A 41 1.067 -7.158 6.471 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.334 -8.546 7.440 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.267 -7.832 5.262 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.630 -6.454 6.190 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.694 -7.119 4.831 1.00 0.00 H new ATOM 568 N CYS A 42 0.809 -10.207 6.194 1.00 0.00 N ATOM 569 CA CYS A 42 1.228 -11.464 5.584 1.00 0.00 C ATOM 570 C CYS A 42 1.119 -11.393 4.065 1.00 0.00 C ATOM 571 O CYS A 42 0.429 -12.202 3.442 1.00 0.00 O ATOM 572 CB CYS A 42 0.379 -12.619 6.115 1.00 0.00 C ATOM 573 SG CYS A 42 1.184 -14.236 6.010 1.00 0.00 S ATOM 0 H CYS A 42 1.480 -9.815 6.854 1.00 0.00 H new ATOM 0 HA CYS A 42 2.271 -11.638 5.847 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.123 -12.419 7.156 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.557 -12.654 5.558 1.00 0.00 H new ATOM 0 HG CYS A 42 0.389 -15.148 6.485 1.00 0.00 H new ATOM 578 N LEU A 43 1.803 -10.420 3.472 1.00 0.00 N ATOM 579 CA LEU A 43 1.783 -10.242 2.024 1.00 0.00 C ATOM 580 C LEU A 43 2.758 -11.198 1.345 1.00 0.00 C ATOM 581 O LEU A 43 3.765 -11.610 1.921 1.00 0.00 O ATOM 582 CB LEU A 43 2.133 -8.797 1.664 1.00 0.00 C ATOM 583 CG LEU A 43 0.964 -7.811 1.639 1.00 0.00 C ATOM 584 CD1 LEU A 43 0.375 -7.717 0.241 1.00 0.00 C ATOM 585 CD2 LEU A 43 -0.102 -8.221 2.644 1.00 0.00 C ATOM 0 H LEU A 43 2.378 -9.742 3.972 1.00 0.00 H new ATOM 0 HA LEU A 43 0.777 -10.465 1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.873 -8.435 2.378 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.607 -8.793 0.683 1.00 0.00 H new ATOM 0 HG LEU A 43 1.338 -6.826 1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.455 -7.011 0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.141 -7.374 -0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.016 -8.698 -0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.926 -7.508 2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.473 -9.215 2.396 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.328 -8.234 3.646 1.00 0.00 H new ATOM 596 N PRO A 44 2.454 -11.559 0.089 1.00 0.00 N ATOM 597 CA PRO A 44 3.292 -12.468 -0.698 1.00 0.00 C ATOM 598 C PRO A 44 4.620 -11.833 -1.097 1.00 0.00 C ATOM 599 O PRO A 44 5.677 -12.454 -0.980 1.00 0.00 O ATOM 600 CB PRO A 44 2.440 -12.752 -1.938 1.00 0.00 C ATOM 601 CG PRO A 44 1.547 -11.565 -2.064 1.00 0.00 C ATOM 602 CD PRO A 44 1.269 -11.106 -0.659 1.00 0.00 C ATOM 0 HA PRO A 44 3.563 -13.362 -0.136 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.061 -12.876 -2.825 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.864 -13.670 -1.821 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.025 -10.776 -2.645 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.623 -11.825 -2.580 1.00 0.00 H new ATOM 0 HD2 PRO A 44 1.150 -10.024 -0.606 1.00 0.00 H new ATOM 0 HD3 PRO A 44 0.353 -11.547 -0.266 1.00 0.00 H new ATOM 607 N LEU A 45 4.559 -10.594 -1.570 1.00 0.00 N ATOM 608 CA LEU A 45 5.756 -9.873 -1.987 1.00 0.00 C ATOM 609 C LEU A 45 6.732 -9.719 -0.824 1.00 0.00 C ATOM 610 O LEU A 45 6.337 -9.576 0.334 1.00 0.00 O ATOM 611 CB LEU A 45 5.382 -8.497 -2.540 1.00 0.00 C ATOM 612 CG LEU A 45 4.373 -8.486 -3.688 1.00 0.00 C ATOM 613 CD1 LEU A 45 4.653 -7.329 -4.634 1.00 0.00 C ATOM 614 CD2 LEU A 45 4.403 -9.811 -4.437 1.00 0.00 C ATOM 0 H LEU A 45 3.692 -10.067 -1.675 1.00 0.00 H new ATOM 0 HA LEU A 45 6.243 -10.452 -2.772 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.980 -7.897 -1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.293 -8.004 -2.879 1.00 0.00 H new ATOM 0 HG LEU A 45 3.376 -8.351 -3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.925 -7.338 -5.445 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.579 -6.388 -4.089 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.657 -7.431 -5.047 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.678 -9.785 -5.251 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.400 -9.976 -4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.152 -10.621 -3.753 1.00 0.00 H new ATOM 625 N PRO A 46 8.035 -9.746 -1.137 1.00 0.00 N ATOM 626 CA PRO A 46 9.094 -9.608 -0.132 1.00 0.00 C ATOM 627 C PRO A 46 9.162 -8.200 0.448 1.00 0.00 C ATOM 628 O PRO A 46 8.265 -7.385 0.233 1.00 0.00 O ATOM 629 CB PRO A 46 10.370 -9.927 -0.915 1.00 0.00 C ATOM 630 CG PRO A 46 10.038 -9.599 -2.330 1.00 0.00 C ATOM 631 CD PRO A 46 8.577 -9.914 -2.496 1.00 0.00 C ATOM 0 HA PRO A 46 8.930 -10.261 0.726 1.00 0.00 H new ATOM 0 HB2 PRO A 46 11.212 -9.334 -0.558 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.649 -10.975 -0.807 1.00 0.00 H new ATOM 0 HG2 PRO A 46 10.238 -8.549 -2.544 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.645 -10.186 -3.019 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.099 -9.239 -3.206 1.00 0.00 H new ATOM 0 HD3 PRO A 46 8.424 -10.927 -2.867 1.00 0.00 H new ATOM 636 N GLY A 47 10.233 -7.919 1.184 1.00 0.00 N ATOM 637 CA GLY A 47 10.398 -6.608 1.784 1.00 0.00 C ATOM 638 C GLY A 47 10.939 -5.586 0.804 1.00 0.00 C ATOM 639 O GLY A 47 10.501 -4.436 0.791 1.00 0.00 O ATOM 0 H GLY A 47 10.989 -8.576 1.375 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.438 -6.265 2.169 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.074 -6.684 2.635 1.00 0.00 H new ATOM 643 N TYR A 48 11.894 -6.006 -0.019 1.00 0.00 N ATOM 644 CA TYR A 48 12.498 -5.117 -1.005 1.00 0.00 C ATOM 645 C TYR A 48 11.497 -4.756 -2.098 1.00 0.00 C ATOM 646 O TYR A 48 11.483 -3.630 -2.594 1.00 0.00 O ATOM 647 CB TYR A 48 13.733 -5.773 -1.625 1.00 0.00 C ATOM 648 CG TYR A 48 13.416 -7.004 -2.445 1.00 0.00 C ATOM 649 CD1 TYR A 48 13.455 -8.271 -1.875 1.00 0.00 C ATOM 650 CD2 TYR A 48 13.081 -6.900 -3.789 1.00 0.00 C ATOM 651 CE1 TYR A 48 13.168 -9.398 -2.621 1.00 0.00 C ATOM 652 CE2 TYR A 48 12.792 -8.021 -4.542 1.00 0.00 C ATOM 653 CZ TYR A 48 12.836 -9.268 -3.953 1.00 0.00 C ATOM 654 OH TYR A 48 12.549 -10.388 -4.700 1.00 0.00 O ATOM 0 H TYR A 48 12.266 -6.956 -0.023 1.00 0.00 H new ATOM 0 HA TYR A 48 12.798 -4.201 -0.496 1.00 0.00 H new ATOM 0 HB2 TYR A 48 14.242 -5.046 -2.258 1.00 0.00 H new ATOM 0 HB3 TYR A 48 14.428 -6.045 -0.830 1.00 0.00 H new ATOM 0 HD1 TYR A 48 13.714 -8.376 -0.832 1.00 0.00 H new ATOM 0 HD2 TYR A 48 13.046 -5.925 -4.253 1.00 0.00 H new ATOM 0 HE1 TYR A 48 13.204 -10.376 -2.163 1.00 0.00 H new ATOM 0 HE2 TYR A 48 12.533 -7.922 -5.586 1.00 0.00 H new ATOM 0 HH TYR A 48 12.334 -10.122 -5.618 1.00 0.00 H new ATOM 663 N ARG A 49 10.661 -5.720 -2.468 1.00 0.00 N ATOM 664 CA ARG A 49 9.656 -5.505 -3.503 1.00 0.00 C ATOM 665 C ARG A 49 8.751 -4.331 -3.145 1.00 0.00 C ATOM 666 O ARG A 49 8.562 -3.413 -3.944 1.00 0.00 O ATOM 667 CB ARG A 49 8.817 -6.769 -3.699 1.00 0.00 C ATOM 668 CG ARG A 49 9.297 -7.648 -4.843 1.00 0.00 C ATOM 669 CD ARG A 49 8.290 -7.676 -5.983 1.00 0.00 C ATOM 670 NE ARG A 49 7.959 -9.040 -6.386 1.00 0.00 N ATOM 671 CZ ARG A 49 7.384 -9.346 -7.543 1.00 0.00 C ATOM 672 NH1 ARG A 49 7.077 -8.388 -8.408 1.00 0.00 N ATOM 673 NH2 ARG A 49 7.113 -10.610 -7.838 1.00 0.00 N ATOM 0 H ARG A 49 10.659 -6.658 -2.067 1.00 0.00 H new ATOM 0 HA ARG A 49 10.173 -5.272 -4.434 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.829 -7.349 -2.776 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.781 -6.483 -3.882 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.254 -7.279 -5.210 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.465 -8.662 -4.479 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.381 -7.158 -5.677 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.694 -7.133 -6.837 1.00 0.00 H new ATOM 0 HE ARG A 49 8.182 -9.800 -5.743 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.283 -7.414 -8.185 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.635 -8.625 -9.296 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.346 -11.350 -7.175 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.671 -10.843 -8.727 1.00 0.00 H new ATOM 684 N VAL A 50 8.192 -4.366 -1.940 1.00 0.00 N ATOM 685 CA VAL A 50 7.307 -3.304 -1.476 1.00 0.00 C ATOM 686 C VAL A 50 8.042 -1.972 -1.394 1.00 0.00 C ATOM 687 O VAL A 50 7.631 -0.985 -2.004 1.00 0.00 O ATOM 688 CB VAL A 50 6.710 -3.635 -0.095 1.00 0.00 C ATOM 689 CG1 VAL A 50 5.703 -2.573 0.320 1.00 0.00 C ATOM 690 CG2 VAL A 50 6.067 -5.013 -0.109 1.00 0.00 C ATOM 0 H VAL A 50 8.336 -5.119 -1.267 1.00 0.00 H new ATOM 0 HA VAL A 50 6.499 -3.225 -2.204 1.00 0.00 H new ATOM 0 HB VAL A 50 7.517 -3.643 0.638 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.292 -2.824 1.298 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.198 -1.603 0.372 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.897 -2.530 -0.412 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.651 -5.230 0.875 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.271 -5.035 -0.853 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.818 -5.762 -0.359 1.00 0.00 H new ATOM 700 N ARG A 51 9.133 -1.951 -0.635 1.00 0.00 N ATOM 701 CA ARG A 51 9.927 -0.737 -0.472 1.00 0.00 C ATOM 702 C ARG A 51 10.341 -0.174 -1.828 1.00 0.00 C ATOM 703 O ARG A 51 10.344 1.041 -2.030 1.00 0.00 O ATOM 704 CB ARG A 51 11.168 -1.025 0.374 1.00 0.00 C ATOM 705 CG ARG A 51 11.901 0.227 0.825 1.00 0.00 C ATOM 706 CD ARG A 51 13.384 0.154 0.496 1.00 0.00 C ATOM 707 NE ARG A 51 13.870 1.388 -0.116 1.00 0.00 N ATOM 708 CZ ARG A 51 14.200 2.471 0.578 1.00 0.00 C ATOM 709 NH1 ARG A 51 14.097 2.474 1.900 1.00 0.00 N ATOM 710 NH2 ARG A 51 14.636 3.556 -0.050 1.00 0.00 N ATOM 0 H ARG A 51 9.488 -2.759 -0.124 1.00 0.00 H new ATOM 0 HA ARG A 51 9.313 0.005 0.038 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.873 -1.600 1.252 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.852 -1.649 -0.201 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.463 1.100 0.342 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.772 0.358 1.899 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.948 -0.045 1.407 1.00 0.00 H new ATOM 0 HD3 ARG A 51 13.565 -0.682 -0.180 1.00 0.00 H new ATOM 0 HE ARG A 51 13.961 1.420 -1.131 1.00 0.00 H new ATOM 0 HH11 ARG A 51 13.763 1.642 2.387 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.351 3.308 2.429 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.718 3.559 -1.067 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.889 4.387 0.484 1.00 0.00 H new ATOM 721 N GLU A 52 10.691 -1.063 -2.751 1.00 0.00 N ATOM 722 CA GLU A 52 11.108 -0.652 -4.088 1.00 0.00 C ATOM 723 C GLU A 52 9.929 -0.094 -4.879 1.00 0.00 C ATOM 724 O GLU A 52 10.004 1.002 -5.434 1.00 0.00 O ATOM 725 CB GLU A 52 11.728 -1.834 -4.838 1.00 0.00 C ATOM 726 CG GLU A 52 12.277 -1.464 -6.205 1.00 0.00 C ATOM 727 CD GLU A 52 11.215 -1.486 -7.287 1.00 0.00 C ATOM 728 OE1 GLU A 52 10.311 -2.345 -7.213 1.00 0.00 O ATOM 729 OE2 GLU A 52 11.286 -0.645 -8.207 1.00 0.00 O ATOM 0 H GLU A 52 10.695 -2.072 -2.599 1.00 0.00 H new ATOM 0 HA GLU A 52 11.855 0.134 -3.982 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.532 -2.256 -4.234 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.976 -2.614 -4.956 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.721 -0.469 -6.157 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.076 -2.157 -6.471 1.00 0.00 H new ATOM 734 N ILE A 53 8.841 -0.857 -4.925 1.00 0.00 N ATOM 735 CA ILE A 53 7.647 -0.440 -5.649 1.00 0.00 C ATOM 736 C ILE A 53 7.235 0.976 -5.258 1.00 0.00 C ATOM 737 O ILE A 53 6.895 1.794 -6.113 1.00 0.00 O ATOM 738 CB ILE A 53 6.468 -1.395 -5.387 1.00 0.00 C ATOM 739 CG1 ILE A 53 6.731 -2.754 -6.040 1.00 0.00 C ATOM 740 CG2 ILE A 53 5.172 -0.793 -5.907 1.00 0.00 C ATOM 741 CD1 ILE A 53 6.062 -3.907 -5.324 1.00 0.00 C ATOM 0 H ILE A 53 8.763 -1.766 -4.470 1.00 0.00 H new ATOM 0 HA ILE A 53 7.896 -0.465 -6.710 1.00 0.00 H new ATOM 0 HB ILE A 53 6.370 -1.542 -4.311 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.382 -2.726 -7.072 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.806 -2.931 -6.072 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.348 -1.480 -5.714 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.981 0.153 -5.400 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.256 -0.620 -6.980 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.291 -4.839 -5.841 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.429 -3.961 -4.299 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.983 -3.753 -5.315 1.00 0.00 H new ATOM 752 N THR A 54 7.270 1.260 -3.959 1.00 0.00 N ATOM 753 CA THR A 54 6.901 2.576 -3.455 1.00 0.00 C ATOM 754 C THR A 54 7.919 3.631 -3.873 1.00 0.00 C ATOM 755 O THR A 54 7.573 4.616 -4.525 1.00 0.00 O ATOM 756 CB THR A 54 6.780 2.576 -1.919 1.00 0.00 C ATOM 757 OG1 THR A 54 6.519 1.249 -1.448 1.00 0.00 O ATOM 758 CG2 THR A 54 5.669 3.510 -1.463 1.00 0.00 C ATOM 0 H THR A 54 7.550 0.595 -3.238 1.00 0.00 H new ATOM 0 HA THR A 54 5.931 2.819 -3.889 1.00 0.00 H new ATOM 0 HB THR A 54 7.723 2.930 -1.502 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.330 0.706 -1.533 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.603 3.493 -0.375 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.886 4.524 -1.797 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.721 3.183 -1.889 1.00 0.00 H new ATOM 766 N GLU A 55 9.175 3.416 -3.495 1.00 0.00 N ATOM 767 CA GLU A 55 10.244 4.350 -3.831 1.00 0.00 C ATOM 768 C GLU A 55 10.276 4.620 -5.333 1.00 0.00 C ATOM 769 O GLU A 55 10.690 5.692 -5.772 1.00 0.00 O ATOM 770 CB GLU A 55 11.595 3.801 -3.371 1.00 0.00 C ATOM 771 CG GLU A 55 12.292 4.677 -2.344 1.00 0.00 C ATOM 772 CD GLU A 55 13.390 5.527 -2.951 1.00 0.00 C ATOM 773 OE1 GLU A 55 14.131 5.009 -3.813 1.00 0.00 O ATOM 774 OE2 GLU A 55 13.511 6.708 -2.564 1.00 0.00 O ATOM 0 H GLU A 55 9.477 2.604 -2.956 1.00 0.00 H new ATOM 0 HA GLU A 55 10.048 5.289 -3.314 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.448 2.807 -2.948 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.245 3.686 -4.238 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.557 5.326 -1.867 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.716 4.047 -1.562 1.00 0.00 H new ATOM 779 N ASN A 56 9.837 3.640 -6.114 1.00 0.00 N ATOM 780 CA ASN A 56 9.817 3.770 -7.567 1.00 0.00 C ATOM 781 C ASN A 56 8.519 4.420 -8.036 1.00 0.00 C ATOM 782 O ASN A 56 8.474 5.046 -9.096 1.00 0.00 O ATOM 783 CB ASN A 56 9.981 2.399 -8.226 1.00 0.00 C ATOM 784 CG ASN A 56 10.423 2.502 -9.673 1.00 0.00 C ATOM 785 OD1 ASN A 56 11.459 3.092 -9.976 1.00 0.00 O ATOM 786 ND2 ASN A 56 9.635 1.925 -10.574 1.00 0.00 N ATOM 0 H ASN A 56 9.490 2.746 -5.766 1.00 0.00 H new ATOM 0 HA ASN A 56 10.650 4.408 -7.861 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.712 1.815 -7.666 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.035 1.859 -8.175 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.880 1.961 -11.563 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.785 1.446 -10.276 1.00 0.00 H new ATOM 792 N LEU A 57 7.467 4.270 -7.240 1.00 0.00 N ATOM 793 CA LEU A 57 6.167 4.843 -7.573 1.00 0.00 C ATOM 794 C LEU A 57 6.239 6.366 -7.617 1.00 0.00 C ATOM 795 O LEU A 57 5.991 6.979 -8.656 1.00 0.00 O ATOM 796 CB LEU A 57 5.116 4.401 -6.554 1.00 0.00 C ATOM 797 CG LEU A 57 3.740 4.050 -7.119 1.00 0.00 C ATOM 798 CD1 LEU A 57 3.779 2.704 -7.825 1.00 0.00 C ATOM 799 CD2 LEU A 57 2.695 4.042 -6.012 1.00 0.00 C ATOM 0 H LEU A 57 7.488 3.756 -6.359 1.00 0.00 H new ATOM 0 HA LEU A 57 5.881 4.482 -8.561 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.500 3.532 -6.020 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.993 5.197 -5.820 1.00 0.00 H new ATOM 0 HG LEU A 57 3.464 4.812 -7.848 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.790 2.472 -8.220 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.497 2.743 -8.644 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.078 1.931 -7.117 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.721 3.790 -6.433 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.968 3.302 -5.260 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.647 5.028 -5.550 1.00 0.00 H new ATOM 810 N MET A 58 6.583 6.970 -6.485 1.00 0.00 N ATOM 811 CA MET A 58 6.690 8.422 -6.396 1.00 0.00 C ATOM 812 C MET A 58 7.936 8.920 -7.124 1.00 0.00 C ATOM 813 O MET A 58 8.122 10.124 -7.301 1.00 0.00 O ATOM 814 CB MET A 58 6.731 8.863 -4.932 1.00 0.00 C ATOM 815 CG MET A 58 7.772 8.127 -4.104 1.00 0.00 C ATOM 816 SD MET A 58 9.214 9.144 -3.738 1.00 0.00 S ATOM 817 CE MET A 58 9.362 8.900 -1.969 1.00 0.00 C ATOM 0 H MET A 58 6.792 6.477 -5.617 1.00 0.00 H new ATOM 0 HA MET A 58 5.812 8.856 -6.874 1.00 0.00 H new ATOM 0 HB2 MET A 58 6.935 9.933 -4.889 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.748 8.708 -4.487 1.00 0.00 H new ATOM 0 HG2 MET A 58 7.319 7.796 -3.169 1.00 0.00 H new ATOM 0 HG3 MET A 58 8.090 7.232 -4.639 1.00 0.00 H new ATOM 0 HE1 MET A 58 10.068 9.623 -1.560 1.00 0.00 H new ATOM 0 HE2 MET A 58 8.388 9.038 -1.500 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.721 7.890 -1.770 1.00 0.00 H new ATOM 825 N ALA A 59 8.783 7.987 -7.543 1.00 0.00 N ATOM 826 CA ALA A 59 10.009 8.331 -8.252 1.00 0.00 C ATOM 827 C ALA A 59 9.731 9.317 -9.381 1.00 0.00 C ATOM 828 O ALA A 59 10.615 10.066 -9.798 1.00 0.00 O ATOM 829 CB ALA A 59 10.674 7.076 -8.797 1.00 0.00 C ATOM 0 H ALA A 59 8.643 6.986 -7.404 1.00 0.00 H new ATOM 0 HA ALA A 59 10.686 8.809 -7.545 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.588 7.348 -9.324 1.00 0.00 H new ATOM 0 HB2 ALA A 59 10.916 6.405 -7.973 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.994 6.574 -9.485 1.00 0.00 H new ATOM 835 N THR A 60 8.496 9.313 -9.875 1.00 0.00 N ATOM 836 CA THR A 60 8.102 10.206 -10.956 1.00 0.00 C ATOM 837 C THR A 60 7.168 11.300 -10.454 1.00 0.00 C ATOM 838 O THR A 60 6.979 12.321 -11.114 1.00 0.00 O ATOM 839 CB THR A 60 7.405 9.436 -12.095 1.00 0.00 C ATOM 840 OG1 THR A 60 7.163 10.311 -13.201 1.00 0.00 O ATOM 841 CG2 THR A 60 6.092 8.836 -11.618 1.00 0.00 C ATOM 0 H THR A 60 7.752 8.700 -9.542 1.00 0.00 H new ATOM 0 HA THR A 60 9.016 10.660 -11.339 1.00 0.00 H new ATOM 0 HB THR A 60 8.062 8.626 -12.411 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.721 9.814 -13.921 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.618 8.298 -12.439 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.284 8.147 -10.795 1.00 0.00 H new ATOM 0 HG23 THR A 60 5.431 9.632 -11.277 1.00 0.00 H new ATOM 849 N GLY A 61 6.584 11.081 -9.280 1.00 0.00 N ATOM 850 CA GLY A 61 5.676 12.058 -8.707 1.00 0.00 C ATOM 851 C GLY A 61 4.332 11.459 -8.346 1.00 0.00 C ATOM 852 O GLY A 61 3.341 12.177 -8.211 1.00 0.00 O ATOM 0 H GLY A 61 6.724 10.243 -8.715 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.129 12.491 -7.815 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.529 12.872 -9.417 1.00 0.00 H new ATOM 856 N ASP A 62 4.297 10.140 -8.189 1.00 0.00 N ATOM 857 CA ASP A 62 3.063 9.445 -7.841 1.00 0.00 C ATOM 858 C ASP A 62 2.578 9.859 -6.455 1.00 0.00 C ATOM 859 O ASP A 62 1.433 10.282 -6.288 1.00 0.00 O ATOM 860 CB ASP A 62 3.277 7.930 -7.889 1.00 0.00 C ATOM 861 CG ASP A 62 3.150 7.372 -9.292 1.00 0.00 C ATOM 862 OD1 ASP A 62 3.594 8.050 -10.243 1.00 0.00 O ATOM 863 OD2 ASP A 62 2.608 6.257 -9.440 1.00 0.00 O ATOM 0 H ASP A 62 5.108 9.531 -8.297 1.00 0.00 H new ATOM 0 HA ASP A 62 2.301 9.721 -8.570 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.265 7.693 -7.495 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.550 7.442 -7.240 1.00 0.00 H new ATOM 867 N LEU A 63 3.455 9.735 -5.465 1.00 0.00 N ATOM 868 CA LEU A 63 3.116 10.095 -4.093 1.00 0.00 C ATOM 869 C LEU A 63 3.530 11.532 -3.789 1.00 0.00 C ATOM 870 O LEU A 63 3.242 12.058 -2.715 1.00 0.00 O ATOM 871 CB LEU A 63 3.794 9.139 -3.111 1.00 0.00 C ATOM 872 CG LEU A 63 3.507 7.651 -3.318 1.00 0.00 C ATOM 873 CD1 LEU A 63 3.026 7.391 -4.737 1.00 0.00 C ATOM 874 CD2 LEU A 63 4.746 6.822 -3.012 1.00 0.00 C ATOM 0 H LEU A 63 4.406 9.388 -5.587 1.00 0.00 H new ATOM 0 HA LEU A 63 2.035 10.016 -3.980 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.871 9.293 -3.170 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.488 9.411 -2.101 1.00 0.00 H new ATOM 0 HG LEU A 63 2.716 7.354 -2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.827 6.327 -4.865 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.112 7.956 -4.920 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.794 7.704 -5.445 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.524 5.766 -3.164 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.557 7.122 -3.675 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.046 6.984 -1.977 1.00 0.00 H new ATOM 885 N ASP A 64 4.206 12.162 -4.745 1.00 0.00 N ATOM 886 CA ASP A 64 4.657 13.538 -4.581 1.00 0.00 C ATOM 887 C ASP A 64 3.506 14.440 -4.147 1.00 0.00 C ATOM 888 O ASP A 64 3.722 15.506 -3.572 1.00 0.00 O ATOM 889 CB ASP A 64 5.263 14.057 -5.886 1.00 0.00 C ATOM 890 CG ASP A 64 5.382 15.569 -5.908 1.00 0.00 C ATOM 891 OD1 ASP A 64 6.137 16.117 -5.077 1.00 0.00 O ATOM 892 OD2 ASP A 64 4.723 16.204 -6.756 1.00 0.00 O ATOM 0 H ASP A 64 4.453 11.741 -5.641 1.00 0.00 H new ATOM 0 HA ASP A 64 5.420 13.554 -3.803 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.250 13.616 -6.026 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.647 13.732 -6.724 1.00 0.00 H new ATOM 896 N GLN A 65 2.281 14.004 -4.426 1.00 0.00 N ATOM 897 CA GLN A 65 1.096 14.772 -4.066 1.00 0.00 C ATOM 898 C GLN A 65 1.181 15.260 -2.623 1.00 0.00 C ATOM 899 O GLN A 65 1.020 16.449 -2.349 1.00 0.00 O ATOM 900 CB GLN A 65 -0.164 13.927 -4.257 1.00 0.00 C ATOM 901 CG GLN A 65 -1.261 14.233 -3.250 1.00 0.00 C ATOM 902 CD GLN A 65 -1.713 15.679 -3.301 1.00 0.00 C ATOM 903 OE1 GLN A 65 -1.780 16.357 -2.276 1.00 0.00 O ATOM 904 NE2 GLN A 65 -2.025 16.160 -4.499 1.00 0.00 N ATOM 0 H GLN A 65 2.084 13.123 -4.900 1.00 0.00 H new ATOM 0 HA GLN A 65 1.045 15.641 -4.722 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -0.551 14.089 -5.263 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.101 12.872 -4.183 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.115 13.583 -3.440 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.902 14.004 -2.247 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.955 15.562 -5.323 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.335 17.127 -4.595 1.00 0.00 H new ATOM 911 N ASP A 66 1.436 14.334 -1.706 1.00 0.00 N ATOM 912 CA ASP A 66 1.543 14.670 -0.290 1.00 0.00 C ATOM 913 C ASP A 66 2.721 13.943 0.353 1.00 0.00 C ATOM 914 O ASP A 66 3.291 14.413 1.337 1.00 0.00 O ATOM 915 CB ASP A 66 0.248 14.313 0.441 1.00 0.00 C ATOM 916 CG ASP A 66 0.286 12.921 1.040 1.00 0.00 C ATOM 917 OD1 ASP A 66 0.498 11.953 0.280 1.00 0.00 O ATOM 918 OD2 ASP A 66 0.106 12.801 2.270 1.00 0.00 O ATOM 0 H ASP A 66 1.573 13.345 -1.917 1.00 0.00 H new ATOM 0 HA ASP A 66 1.712 15.744 -0.209 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.068 15.041 1.232 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.589 14.384 -0.253 1.00 0.00 H new ATOM 922 N GLY A 67 3.081 12.794 -0.211 1.00 0.00 N ATOM 923 CA GLY A 67 4.188 12.021 0.320 1.00 0.00 C ATOM 924 C GLY A 67 3.742 10.692 0.899 1.00 0.00 C ATOM 925 O GLY A 67 4.436 9.685 0.765 1.00 0.00 O ATOM 0 H GLY A 67 2.625 12.385 -1.027 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.916 11.843 -0.472 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.693 12.600 1.093 1.00 0.00 H new ATOM 929 N ARG A 68 2.581 10.690 1.546 1.00 0.00 N ATOM 930 CA ARG A 68 2.045 9.477 2.150 1.00 0.00 C ATOM 931 C ARG A 68 1.435 8.565 1.088 1.00 0.00 C ATOM 932 O ARG A 68 1.558 8.822 -0.109 1.00 0.00 O ATOM 933 CB ARG A 68 0.992 9.827 3.203 1.00 0.00 C ATOM 934 CG ARG A 68 1.445 10.895 4.184 1.00 0.00 C ATOM 935 CD ARG A 68 1.565 10.340 5.595 1.00 0.00 C ATOM 936 NE ARG A 68 2.741 10.858 6.288 1.00 0.00 N ATOM 937 CZ ARG A 68 2.875 12.125 6.665 1.00 0.00 C ATOM 938 NH1 ARG A 68 1.908 12.998 6.420 1.00 0.00 N ATOM 939 NH2 ARG A 68 3.976 12.519 7.292 1.00 0.00 N ATOM 0 H ARG A 68 1.994 11.515 1.665 1.00 0.00 H new ATOM 0 HA ARG A 68 2.867 8.947 2.631 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.087 10.168 2.700 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.729 8.925 3.756 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.407 11.297 3.867 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.735 11.722 4.176 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.669 10.594 6.162 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.619 9.252 5.553 1.00 0.00 H new ATOM 0 HE ARG A 68 3.502 10.211 6.494 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.059 12.698 5.941 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.013 13.970 6.710 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.720 11.849 7.485 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.078 13.492 7.581 1.00 0.00 H new ATOM 950 N ILE A 69 0.777 7.501 1.537 1.00 0.00 N ATOM 951 CA ILE A 69 0.149 6.553 0.626 1.00 0.00 C ATOM 952 C ILE A 69 -1.216 6.112 1.147 1.00 0.00 C ATOM 953 O ILE A 69 -1.319 5.512 2.217 1.00 0.00 O ATOM 954 CB ILE A 69 1.030 5.307 0.412 1.00 0.00 C ATOM 955 CG1 ILE A 69 2.378 5.709 -0.188 1.00 0.00 C ATOM 956 CG2 ILE A 69 0.321 4.305 -0.484 1.00 0.00 C ATOM 957 CD1 ILE A 69 3.553 4.980 0.424 1.00 0.00 C ATOM 0 H ILE A 69 0.665 7.274 2.525 1.00 0.00 H new ATOM 0 HA ILE A 69 0.024 7.067 -0.327 1.00 0.00 H new ATOM 0 HB ILE A 69 1.210 4.835 1.378 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.361 5.517 -1.261 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.519 6.782 -0.058 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.956 3.431 -0.626 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.617 4.001 -0.019 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.114 4.764 -1.451 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.476 5.315 -0.050 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.596 5.192 1.492 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.435 3.907 0.271 1.00 0.00 H new ATOM 968 N SER A 70 -2.260 6.412 0.382 1.00 0.00 N ATOM 969 CA SER A 70 -3.619 6.050 0.768 1.00 0.00 C ATOM 970 C SER A 70 -3.895 4.580 0.466 1.00 0.00 C ATOM 971 O SER A 70 -3.276 3.989 -0.419 1.00 0.00 O ATOM 972 CB SER A 70 -4.632 6.931 0.035 1.00 0.00 C ATOM 973 OG SER A 70 -5.259 6.220 -1.018 1.00 0.00 O ATOM 0 H SER A 70 -2.191 6.905 -0.509 1.00 0.00 H new ATOM 0 HA SER A 70 -3.720 6.209 1.842 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.386 7.286 0.738 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.130 7.812 -0.365 1.00 0.00 H new ATOM 0 HG SER A 70 -5.190 6.737 -1.848 1.00 0.00 H new ATOM 978 N PHE A 71 -4.829 3.996 1.208 1.00 0.00 N ATOM 979 CA PHE A 71 -5.187 2.594 1.023 1.00 0.00 C ATOM 980 C PHE A 71 -5.343 2.265 -0.459 1.00 0.00 C ATOM 981 O PHE A 71 -4.951 1.189 -0.912 1.00 0.00 O ATOM 982 CB PHE A 71 -6.485 2.274 1.767 1.00 0.00 C ATOM 983 CG PHE A 71 -6.762 0.803 1.886 1.00 0.00 C ATOM 984 CD1 PHE A 71 -8.061 0.324 1.854 1.00 0.00 C ATOM 985 CD2 PHE A 71 -5.722 -0.101 2.030 1.00 0.00 C ATOM 986 CE1 PHE A 71 -8.319 -1.030 1.961 1.00 0.00 C ATOM 987 CE2 PHE A 71 -5.973 -1.456 2.137 1.00 0.00 C ATOM 988 CZ PHE A 71 -7.273 -1.921 2.105 1.00 0.00 C ATOM 0 H PHE A 71 -5.352 4.471 1.943 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.383 1.982 1.431 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.438 2.708 2.766 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.318 2.751 1.250 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.882 1.017 1.744 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.704 0.257 2.059 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -9.337 -1.391 1.932 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.153 -2.151 2.246 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.472 -2.979 2.192 1.00 0.00 H new ATOM 997 N ASP A 72 -5.920 3.198 -1.208 1.00 0.00 N ATOM 998 CA ASP A 72 -6.129 3.009 -2.640 1.00 0.00 C ATOM 999 C ASP A 72 -4.824 2.627 -3.333 1.00 0.00 C ATOM 1000 O ASP A 72 -4.760 1.627 -4.047 1.00 0.00 O ATOM 1001 CB ASP A 72 -6.700 4.281 -3.266 1.00 0.00 C ATOM 1002 CG ASP A 72 -8.208 4.367 -3.127 1.00 0.00 C ATOM 1003 OD1 ASP A 72 -8.735 5.498 -3.080 1.00 0.00 O ATOM 1004 OD2 ASP A 72 -8.859 3.305 -3.066 1.00 0.00 O ATOM 0 H ASP A 72 -6.252 4.093 -0.848 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.843 2.196 -2.774 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -6.244 5.151 -2.794 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.433 4.315 -4.322 1.00 0.00 H new ATOM 1008 N GLU A 73 -3.788 3.431 -3.117 1.00 0.00 N ATOM 1009 CA GLU A 73 -2.486 3.178 -3.723 1.00 0.00 C ATOM 1010 C GLU A 73 -1.967 1.795 -3.340 1.00 0.00 C ATOM 1011 O GLU A 73 -1.439 1.064 -4.177 1.00 0.00 O ATOM 1012 CB GLU A 73 -1.481 4.249 -3.294 1.00 0.00 C ATOM 1013 CG GLU A 73 -1.103 5.211 -4.409 1.00 0.00 C ATOM 1014 CD GLU A 73 -0.668 4.495 -5.673 1.00 0.00 C ATOM 1015 OE1 GLU A 73 -0.255 3.320 -5.578 1.00 0.00 O ATOM 1016 OE2 GLU A 73 -0.740 5.109 -6.758 1.00 0.00 O ATOM 0 H GLU A 73 -3.825 4.262 -2.527 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.605 3.216 -4.806 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.900 4.816 -2.463 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.579 3.762 -2.925 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.954 5.853 -4.634 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.296 5.859 -4.067 1.00 0.00 H new ATOM 1021 N PHE A 74 -2.121 1.444 -2.067 1.00 0.00 N ATOM 1022 CA PHE A 74 -1.666 0.151 -1.571 1.00 0.00 C ATOM 1023 C PHE A 74 -2.293 -0.989 -2.368 1.00 0.00 C ATOM 1024 O PHE A 74 -1.599 -1.902 -2.816 1.00 0.00 O ATOM 1025 CB PHE A 74 -2.011 0.000 -0.087 1.00 0.00 C ATOM 1026 CG PHE A 74 -1.779 -1.385 0.445 1.00 0.00 C ATOM 1027 CD1 PHE A 74 -0.648 -1.673 1.192 1.00 0.00 C ATOM 1028 CD2 PHE A 74 -2.690 -2.399 0.196 1.00 0.00 C ATOM 1029 CE1 PHE A 74 -0.432 -2.947 1.684 1.00 0.00 C ATOM 1030 CE2 PHE A 74 -2.479 -3.674 0.685 1.00 0.00 C ATOM 1031 CZ PHE A 74 -1.348 -3.949 1.428 1.00 0.00 C ATOM 0 H PHE A 74 -2.557 2.037 -1.361 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.584 0.104 -1.693 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.415 0.707 0.490 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -3.057 0.268 0.064 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.073 -0.894 1.392 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.575 -2.190 -0.387 1.00 0.00 H new ATOM 0 HE1 PHE A 74 0.452 -3.159 2.268 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -3.198 -4.455 0.486 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.180 -4.946 1.808 1.00 0.00 H new ATOM 1040 N ILE A 75 -3.609 -0.929 -2.541 1.00 0.00 N ATOM 1041 CA ILE A 75 -4.330 -1.954 -3.285 1.00 0.00 C ATOM 1042 C ILE A 75 -3.822 -2.052 -4.720 1.00 0.00 C ATOM 1043 O ILE A 75 -3.389 -3.115 -5.166 1.00 0.00 O ATOM 1044 CB ILE A 75 -5.844 -1.675 -3.306 1.00 0.00 C ATOM 1045 CG1 ILE A 75 -6.393 -1.608 -1.880 1.00 0.00 C ATOM 1046 CG2 ILE A 75 -6.569 -2.745 -4.109 1.00 0.00 C ATOM 1047 CD1 ILE A 75 -6.147 -2.867 -1.078 1.00 0.00 C ATOM 0 H ILE A 75 -4.198 -0.181 -2.176 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.151 -2.900 -2.773 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.014 -0.711 -3.786 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.938 -0.763 -1.363 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.465 -1.417 -1.921 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.638 -2.534 -4.114 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.194 -2.748 -5.133 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.394 -3.721 -3.656 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.563 -2.748 -0.077 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.626 -3.712 -1.572 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.075 -3.049 -1.006 1.00 0.00 H new ATOM 1058 N LYS A 76 -3.875 -0.934 -5.437 1.00 0.00 N ATOM 1059 CA LYS A 76 -3.417 -0.891 -6.821 1.00 0.00 C ATOM 1060 C LYS A 76 -1.996 -1.433 -6.942 1.00 0.00 C ATOM 1061 O LYS A 76 -1.642 -2.055 -7.944 1.00 0.00 O ATOM 1062 CB LYS A 76 -3.474 0.541 -7.354 1.00 0.00 C ATOM 1063 CG LYS A 76 -3.404 0.630 -8.869 1.00 0.00 C ATOM 1064 CD LYS A 76 -2.604 1.840 -9.320 1.00 0.00 C ATOM 1065 CE LYS A 76 -1.203 1.449 -9.763 1.00 0.00 C ATOM 1066 NZ LYS A 76 -0.246 2.584 -9.646 1.00 0.00 N ATOM 0 H LYS A 76 -4.230 -0.046 -5.083 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.079 -1.521 -7.416 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.397 1.010 -7.013 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.650 1.112 -6.926 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.949 -0.277 -9.267 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.413 0.687 -9.278 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.122 2.334 -10.142 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.541 2.560 -8.504 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.851 0.614 -9.158 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.232 1.104 -10.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.697 2.276 -9.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.568 3.372 -10.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.198 2.897 -8.655 1.00 0.00 H new ATOM 1076 N ILE A 77 -1.187 -1.195 -5.915 1.00 0.00 N ATOM 1077 CA ILE A 77 0.193 -1.661 -5.905 1.00 0.00 C ATOM 1078 C ILE A 77 0.262 -3.168 -5.681 1.00 0.00 C ATOM 1079 O ILE A 77 1.079 -3.861 -6.290 1.00 0.00 O ATOM 1080 CB ILE A 77 1.020 -0.952 -4.816 1.00 0.00 C ATOM 1081 CG1 ILE A 77 1.230 0.518 -5.181 1.00 0.00 C ATOM 1082 CG2 ILE A 77 2.357 -1.654 -4.626 1.00 0.00 C ATOM 1083 CD1 ILE A 77 1.589 1.389 -3.998 1.00 0.00 C ATOM 0 H ILE A 77 -1.464 -0.682 -5.078 1.00 0.00 H new ATOM 0 HA ILE A 77 0.614 -1.421 -6.881 1.00 0.00 H new ATOM 0 HB ILE A 77 0.471 -0.998 -3.875 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.021 0.589 -5.928 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.321 0.903 -5.643 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.930 -1.142 -3.853 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.186 -2.688 -4.325 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.914 -1.636 -5.563 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.723 2.418 -4.331 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.788 1.348 -3.260 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.515 1.029 -3.549 1.00 0.00 H new ATOM 1094 N PHE A 78 -0.600 -3.671 -4.803 1.00 0.00 N ATOM 1095 CA PHE A 78 -0.637 -5.096 -4.499 1.00 0.00 C ATOM 1096 C PHE A 78 -1.050 -5.904 -5.726 1.00 0.00 C ATOM 1097 O PHE A 78 -0.519 -6.986 -5.979 1.00 0.00 O ATOM 1098 CB PHE A 78 -1.606 -5.367 -3.346 1.00 0.00 C ATOM 1099 CG PHE A 78 -1.799 -6.829 -3.056 1.00 0.00 C ATOM 1100 CD1 PHE A 78 -3.047 -7.415 -3.187 1.00 0.00 C ATOM 1101 CD2 PHE A 78 -0.731 -7.615 -2.652 1.00 0.00 C ATOM 1102 CE1 PHE A 78 -3.228 -8.759 -2.921 1.00 0.00 C ATOM 1103 CE2 PHE A 78 -0.906 -8.959 -2.386 1.00 0.00 C ATOM 1104 CZ PHE A 78 -2.156 -9.533 -2.520 1.00 0.00 C ATOM 0 H PHE A 78 -1.282 -3.112 -4.290 1.00 0.00 H new ATOM 0 HA PHE A 78 0.365 -5.405 -4.203 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.237 -4.872 -2.448 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.572 -4.921 -3.581 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.888 -6.815 -3.501 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.248 -7.172 -2.544 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -4.206 -9.204 -3.026 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.066 -9.561 -2.073 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.295 -10.584 -2.312 1.00 0.00 H new ATOM 1113 N HIS A 79 -2.003 -5.371 -6.485 1.00 0.00 N ATOM 1114 CA HIS A 79 -2.488 -6.042 -7.686 1.00 0.00 C ATOM 1115 C HIS A 79 -1.534 -5.819 -8.856 1.00 0.00 C ATOM 1116 O HIS A 79 -1.354 -6.696 -9.699 1.00 0.00 O ATOM 1117 CB HIS A 79 -3.885 -5.537 -8.048 1.00 0.00 C ATOM 1118 CG HIS A 79 -4.983 -6.473 -7.646 1.00 0.00 C ATOM 1119 ND1 HIS A 79 -5.991 -6.863 -8.503 1.00 0.00 N ATOM 1120 CD2 HIS A 79 -5.227 -7.098 -6.471 1.00 0.00 C ATOM 1121 CE1 HIS A 79 -6.808 -7.686 -7.871 1.00 0.00 C ATOM 1122 NE2 HIS A 79 -6.366 -7.846 -6.636 1.00 0.00 N ATOM 0 H HIS A 79 -2.454 -4.477 -6.290 1.00 0.00 H new ATOM 0 HA HIS A 79 -2.538 -7.111 -7.480 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.049 -4.571 -7.570 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -3.935 -5.372 -9.124 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -4.635 -7.022 -5.571 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.688 -8.150 -8.292 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -6.800 -8.430 -5.922 1.00 0.00 H new ATOM 1129 N GLY A 80 -0.926 -4.636 -8.900 1.00 0.00 N ATOM 1130 CA GLY A 80 0.001 -4.319 -9.971 1.00 0.00 C ATOM 1131 C GLY A 80 -0.634 -4.442 -11.343 1.00 0.00 C ATOM 1132 O GLY A 80 0.062 -4.619 -12.343 1.00 0.00 O ATOM 0 H GLY A 80 -1.059 -3.893 -8.214 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.374 -3.304 -9.836 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.862 -4.985 -9.911 1.00 0.00 H new ATOM 1136 N LEU A 81 -1.957 -4.351 -11.390 1.00 0.00 N ATOM 1137 CA LEU A 81 -2.688 -4.455 -12.649 1.00 0.00 C ATOM 1138 C LEU A 81 -3.769 -3.382 -12.742 1.00 0.00 C ATOM 1139 O LEU A 81 -4.559 -3.200 -11.816 1.00 0.00 O ATOM 1140 CB LEU A 81 -3.316 -5.843 -12.784 1.00 0.00 C ATOM 1141 CG LEU A 81 -4.499 -6.136 -11.861 1.00 0.00 C ATOM 1142 CD1 LEU A 81 -5.814 -5.966 -12.606 1.00 0.00 C ATOM 1143 CD2 LEU A 81 -4.389 -7.539 -11.283 1.00 0.00 C ATOM 0 H LEU A 81 -2.547 -4.205 -10.571 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.981 -4.303 -13.465 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.644 -5.973 -13.815 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.543 -6.589 -12.599 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.478 -5.422 -11.038 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.644 -6.179 -11.932 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.896 -4.942 -12.970 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.846 -6.655 -13.450 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.239 -7.731 -10.628 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.384 -8.267 -12.094 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.465 -7.626 -10.712 1.00 0.00 H new ATOM 1154 N LYS A 82 -3.798 -2.676 -13.868 1.00 0.00 N ATOM 1155 CA LYS A 82 -4.785 -1.625 -14.085 1.00 0.00 C ATOM 1156 C LYS A 82 -5.853 -2.076 -15.077 1.00 0.00 C ATOM 1157 O LYS A 82 -7.043 -1.838 -14.872 1.00 0.00 O ATOM 1158 CB LYS A 82 -4.102 -0.355 -14.599 1.00 0.00 C ATOM 1159 CG LYS A 82 -2.839 0.006 -13.837 1.00 0.00 C ATOM 1160 CD LYS A 82 -1.603 -0.590 -14.490 1.00 0.00 C ATOM 1161 CE LYS A 82 -0.918 0.411 -15.406 1.00 0.00 C ATOM 1162 NZ LYS A 82 -0.206 -0.262 -16.528 1.00 0.00 N ATOM 0 H LYS A 82 -3.150 -2.813 -14.644 1.00 0.00 H new ATOM 0 HA LYS A 82 -5.267 -1.412 -13.131 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.856 -0.486 -15.653 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.804 0.476 -14.536 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.739 1.090 -13.790 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.918 -0.352 -12.811 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.905 -0.916 -13.719 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.883 -1.475 -15.061 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.659 1.102 -15.808 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.209 1.005 -14.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.248 0.454 -17.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.518 -0.902 -16.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.887 -0.808 -17.093 1.00 0.00 H new TER 1172 LYS A 82