USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 665 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 57 LYS NZ :NH3+ -177:sc= 1.24! (180deg=1.12!) USER MOD Set 2.1: A 33 CYS SG : rot 180:sc= -0.534 USER MOD Set 2.2: A 38 MET CE :methyl 141:sc= -2.14 (180deg=0) USER MOD Set 2.3: A 46 GLN : amide:sc= -2.04 K(o=-4.7,f=-10!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 CYS SG : rot 180:sc= -0.0549 USER MOD Single : A 27 THR OG1 : rot -170:sc=-0.00627 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.323 K(o=-0.32,f=-3.1!) USER MOD Single : A 49 THR OG1 : rot 80:sc= 0.181 USER MOD Single : A 53 LYS NZ :NH3+ -174:sc= 0.082 (180deg=0.0678) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot -162:sc= -1! USER MOD Single : A 64 GLN : amide:sc= -0.0202 X(o=-0.02,f=-0.33) USER MOD Single : A 66 HIS :FLIP no HD1:sc= -1.6 F(o=-3.4!,f=-1.6) USER MOD Single : A 70 HIS : +bothHN:sc= -3.77! C(o=-3.8!,f=-6.5!) USER MOD Single : A 83 CYS SG : rot 180:sc= -0.124 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 16 -13.466 5.618 2.325 1.00 0.00 N ATOM 2 CA SER A 16 -13.461 6.334 3.595 1.00 0.00 C ATOM 3 C SER A 16 -12.080 6.917 3.884 1.00 0.00 C ATOM 4 O SER A 16 -11.092 6.188 3.960 1.00 0.00 O ATOM 5 CB SER A 16 -13.883 5.401 4.732 1.00 0.00 C ATOM 6 OG SER A 16 -15.239 5.610 5.087 1.00 0.00 O ATOM 0 HA SER A 16 -14.175 7.155 3.525 1.00 0.00 H new ATOM 0 HB2 SER A 16 -13.739 4.364 4.428 1.00 0.00 H new ATOM 0 HB3 SER A 16 -13.246 5.570 5.600 1.00 0.00 H new ATOM 0 HG SER A 16 -15.484 5.001 5.814 1.00 0.00 H new ATOM 12 N GLU A 17 -12.021 8.236 4.043 1.00 0.00 N ATOM 13 CA GLU A 17 -10.760 8.914 4.322 1.00 0.00 C ATOM 14 C GLU A 17 -9.760 8.685 3.190 1.00 0.00 C ATOM 15 O GLU A 17 -10.135 8.259 2.099 1.00 0.00 O ATOM 16 CB GLU A 17 -10.176 8.421 5.648 1.00 0.00 C ATOM 17 CG GLU A 17 -11.202 8.329 6.766 1.00 0.00 C ATOM 18 CD GLU A 17 -11.763 9.683 7.156 1.00 0.00 C ATOM 19 OE1 GLU A 17 -11.008 10.676 7.099 1.00 0.00 O ATOM 20 OE2 GLU A 17 -12.956 9.750 7.516 1.00 0.00 O ATOM 0 H GLU A 17 -12.830 8.855 3.984 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.956 9.984 4.397 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.727 7.439 5.496 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.375 9.093 5.955 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.018 7.678 6.452 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.742 7.865 7.639 1.00 0.00 H new ATOM 27 N PHE A 18 -8.489 8.965 3.459 1.00 0.00 N ATOM 28 CA PHE A 18 -7.442 8.783 2.459 1.00 0.00 C ATOM 29 C PHE A 18 -7.375 7.331 2.004 1.00 0.00 C ATOM 30 O PHE A 18 -7.702 6.418 2.763 1.00 0.00 O ATOM 31 CB PHE A 18 -6.086 9.211 3.025 1.00 0.00 C ATOM 32 CG PHE A 18 -5.262 10.026 2.069 1.00 0.00 C ATOM 33 CD1 PHE A 18 -4.701 9.441 0.944 1.00 0.00 C ATOM 34 CD2 PHE A 18 -5.046 11.375 2.297 1.00 0.00 C ATOM 35 CE1 PHE A 18 -3.941 10.188 0.065 1.00 0.00 C ATOM 36 CE2 PHE A 18 -4.287 12.126 1.421 1.00 0.00 C ATOM 37 CZ PHE A 18 -3.735 11.533 0.304 1.00 0.00 C ATOM 0 H PHE A 18 -8.159 9.318 4.358 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.684 9.407 1.599 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.248 9.789 3.935 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.524 8.321 3.308 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.860 8.390 0.753 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.476 11.845 3.169 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.509 9.721 -0.808 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.126 13.177 1.610 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.143 12.120 -0.383 1.00 0.00 H new ATOM 47 N LYS A 19 -6.944 7.122 0.767 1.00 0.00 N ATOM 48 CA LYS A 19 -6.828 5.777 0.220 1.00 0.00 C ATOM 49 C LYS A 19 -5.951 5.770 -1.026 1.00 0.00 C ATOM 50 O LYS A 19 -6.254 6.436 -2.018 1.00 0.00 O ATOM 51 CB LYS A 19 -8.212 5.217 -0.111 1.00 0.00 C ATOM 52 CG LYS A 19 -8.366 3.742 0.226 1.00 0.00 C ATOM 53 CD LYS A 19 -9.262 3.030 -0.774 1.00 0.00 C ATOM 54 CE LYS A 19 -9.802 1.725 -0.211 1.00 0.00 C ATOM 55 NZ LYS A 19 -11.261 1.572 -0.466 1.00 0.00 N ATOM 0 H LYS A 19 -6.669 7.865 0.125 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.360 5.144 0.974 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.965 5.786 0.433 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.409 5.361 -1.173 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.385 3.267 0.239 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.784 3.639 1.228 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.093 3.681 -1.047 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.702 2.829 -1.687 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.266 0.888 -0.657 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.615 1.688 0.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.590 0.670 -0.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.776 2.357 -0.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.437 1.582 -1.491 1.00 0.00 H new ATOM 69 N VAL A 20 -4.863 5.011 -0.969 1.00 0.00 N ATOM 70 CA VAL A 20 -3.942 4.913 -2.093 1.00 0.00 C ATOM 71 C VAL A 20 -3.589 3.461 -2.391 1.00 0.00 C ATOM 72 O VAL A 20 -3.427 2.650 -1.479 1.00 0.00 O ATOM 73 CB VAL A 20 -2.644 5.699 -1.829 1.00 0.00 C ATOM 74 CG1 VAL A 20 -2.911 7.195 -1.846 1.00 0.00 C ATOM 75 CG2 VAL A 20 -2.023 5.274 -0.507 1.00 0.00 C ATOM 0 H VAL A 20 -4.598 4.455 -0.156 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.451 5.345 -2.954 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.936 5.473 -2.626 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.982 7.733 -1.658 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.306 7.483 -2.820 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.637 7.444 -1.072 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.107 5.840 -0.337 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.725 5.468 0.304 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.791 4.209 -0.539 1.00 0.00 H new ATOM 85 N THR A 21 -3.468 3.139 -3.674 1.00 0.00 N ATOM 86 CA THR A 21 -3.131 1.784 -4.095 1.00 0.00 C ATOM 87 C THR A 21 -1.666 1.696 -4.504 1.00 0.00 C ATOM 88 O THR A 21 -1.274 2.198 -5.556 1.00 0.00 O ATOM 89 CB THR A 21 -4.025 1.351 -5.258 1.00 0.00 C ATOM 90 OG1 THR A 21 -5.389 1.589 -4.960 1.00 0.00 O ATOM 91 CG2 THR A 21 -3.881 -0.115 -5.608 1.00 0.00 C ATOM 0 H THR A 21 -3.598 3.798 -4.441 1.00 0.00 H new ATOM 0 HA THR A 21 -3.297 1.114 -3.252 1.00 0.00 H new ATOM 0 HB THR A 21 -3.698 1.947 -6.110 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.943 1.307 -5.717 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.542 -0.357 -6.440 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.849 -0.322 -5.892 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.148 -0.723 -4.744 1.00 0.00 H new ATOM 99 N VAL A 22 -0.859 1.059 -3.663 1.00 0.00 N ATOM 100 CA VAL A 22 0.562 0.907 -3.933 1.00 0.00 C ATOM 101 C VAL A 22 0.865 -0.459 -4.533 1.00 0.00 C ATOM 102 O VAL A 22 0.841 -1.472 -3.835 1.00 0.00 O ATOM 103 CB VAL A 22 1.400 1.090 -2.654 1.00 0.00 C ATOM 104 CG1 VAL A 22 1.583 2.565 -2.339 1.00 0.00 C ATOM 105 CG2 VAL A 22 0.764 0.359 -1.480 1.00 0.00 C ATOM 0 H VAL A 22 -1.168 0.639 -2.786 1.00 0.00 H new ATOM 0 HA VAL A 22 0.831 1.683 -4.649 1.00 0.00 H new ATOM 0 HB VAL A 22 2.384 0.655 -2.827 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.178 2.672 -1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.095 3.053 -3.168 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.608 3.029 -2.191 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.374 0.503 -0.588 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.236 0.755 -1.303 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.698 -0.705 -1.707 1.00 0.00 H new ATOM 115 N CYS A 23 1.153 -0.482 -5.829 1.00 0.00 N ATOM 116 CA CYS A 23 1.463 -1.727 -6.517 1.00 0.00 C ATOM 117 C CYS A 23 2.858 -2.214 -6.137 1.00 0.00 C ATOM 118 O CYS A 23 3.860 -1.719 -6.650 1.00 0.00 O ATOM 119 CB CYS A 23 1.371 -1.536 -8.031 1.00 0.00 C ATOM 120 SG CYS A 23 0.746 -2.980 -8.920 1.00 0.00 S ATOM 0 H CYS A 23 1.178 0.347 -6.423 1.00 0.00 H new ATOM 0 HA CYS A 23 0.734 -2.478 -6.212 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.723 -0.685 -8.240 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.360 -1.286 -8.416 1.00 0.00 H new ATOM 0 HG CYS A 23 0.703 -2.721 -10.193 1.00 0.00 H new ATOM 126 N PHE A 24 2.910 -3.189 -5.238 1.00 0.00 N ATOM 127 CA PHE A 24 4.176 -3.749 -4.789 1.00 0.00 C ATOM 128 C PHE A 24 4.687 -4.787 -5.780 1.00 0.00 C ATOM 129 O PHE A 24 4.279 -5.948 -5.740 1.00 0.00 O ATOM 130 CB PHE A 24 4.017 -4.381 -3.405 1.00 0.00 C ATOM 131 CG PHE A 24 4.282 -3.427 -2.275 1.00 0.00 C ATOM 132 CD1 PHE A 24 3.564 -2.247 -2.165 1.00 0.00 C ATOM 133 CD2 PHE A 24 5.247 -3.712 -1.321 1.00 0.00 C ATOM 134 CE1 PHE A 24 3.805 -1.369 -1.126 1.00 0.00 C ATOM 135 CE2 PHE A 24 5.492 -2.837 -0.282 1.00 0.00 C ATOM 136 CZ PHE A 24 4.770 -1.663 -0.184 1.00 0.00 C ATOM 0 H PHE A 24 2.087 -3.608 -4.805 1.00 0.00 H new ATOM 0 HA PHE A 24 4.904 -2.940 -4.727 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.005 -4.774 -3.308 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.697 -5.229 -3.321 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.808 -2.011 -2.899 1.00 0.00 H new ATOM 0 HD2 PHE A 24 5.813 -4.629 -1.392 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.238 -0.453 -1.051 1.00 0.00 H new ATOM 0 HE2 PHE A 24 6.247 -3.070 0.454 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.960 -0.977 0.628 1.00 0.00 H new ATOM 146 N GLY A 25 5.581 -4.362 -6.668 1.00 0.00 N ATOM 147 CA GLY A 25 6.128 -5.272 -7.659 1.00 0.00 C ATOM 148 C GLY A 25 5.057 -5.870 -8.551 1.00 0.00 C ATOM 149 O GLY A 25 4.798 -5.366 -9.645 1.00 0.00 O ATOM 0 H GLY A 25 5.936 -3.407 -6.719 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.854 -4.741 -8.274 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.665 -6.074 -7.154 1.00 0.00 H new ATOM 153 N ARG A 26 4.430 -6.945 -8.083 1.00 0.00 N ATOM 154 CA ARG A 26 3.379 -7.613 -8.844 1.00 0.00 C ATOM 155 C ARG A 26 2.146 -7.850 -7.977 1.00 0.00 C ATOM 156 O ARG A 26 1.451 -8.854 -8.131 1.00 0.00 O ATOM 157 CB ARG A 26 3.890 -8.943 -9.399 1.00 0.00 C ATOM 158 CG ARG A 26 4.454 -9.871 -8.335 1.00 0.00 C ATOM 159 CD ARG A 26 5.323 -10.958 -8.944 1.00 0.00 C ATOM 160 NE ARG A 26 4.630 -12.244 -9.003 1.00 0.00 N ATOM 161 CZ ARG A 26 3.790 -12.592 -9.976 1.00 0.00 C ATOM 162 NH1 ARG A 26 3.532 -11.755 -10.973 1.00 0.00 N ATOM 163 NH2 ARG A 26 3.204 -13.781 -9.950 1.00 0.00 N ATOM 0 H ARG A 26 4.632 -7.373 -7.179 1.00 0.00 H new ATOM 0 HA ARG A 26 3.098 -6.965 -9.674 1.00 0.00 H new ATOM 0 HB2 ARG A 26 3.074 -9.449 -9.915 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.662 -8.744 -10.142 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.041 -9.293 -7.621 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.635 -10.328 -7.779 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.623 -10.662 -9.949 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.235 -11.064 -8.357 1.00 0.00 H new ATOM 0 HE ARG A 26 4.800 -12.915 -8.254 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.978 -10.838 -10.998 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.887 -12.029 -11.715 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.397 -14.428 -9.185 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.560 -14.049 -10.695 1.00 0.00 H new ATOM 177 N THR A 27 1.882 -6.920 -7.062 1.00 0.00 N ATOM 178 CA THR A 27 0.733 -7.029 -6.168 1.00 0.00 C ATOM 179 C THR A 27 0.163 -5.651 -5.848 1.00 0.00 C ATOM 180 O THR A 27 0.901 -4.674 -5.738 1.00 0.00 O ATOM 181 CB THR A 27 1.134 -7.744 -4.877 1.00 0.00 C ATOM 182 OG1 THR A 27 1.629 -9.042 -5.155 1.00 0.00 O ATOM 183 CG2 THR A 27 -0.006 -7.890 -3.890 1.00 0.00 C ATOM 0 H THR A 27 2.448 -6.083 -6.921 1.00 0.00 H new ATOM 0 HA THR A 27 -0.038 -7.612 -6.672 1.00 0.00 H new ATOM 0 HB THR A 27 1.902 -7.115 -4.428 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.731 -9.540 -4.317 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.349 -8.406 -2.998 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.378 -6.903 -3.615 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.811 -8.467 -4.346 1.00 0.00 H new ATOM 191 N ARG A 28 -1.155 -5.579 -5.702 1.00 0.00 N ATOM 192 CA ARG A 28 -1.822 -4.318 -5.394 1.00 0.00 C ATOM 193 C ARG A 28 -2.232 -4.261 -3.926 1.00 0.00 C ATOM 194 O ARG A 28 -3.137 -4.976 -3.496 1.00 0.00 O ATOM 195 CB ARG A 28 -3.052 -4.136 -6.285 1.00 0.00 C ATOM 196 CG ARG A 28 -2.715 -3.940 -7.756 1.00 0.00 C ATOM 197 CD ARG A 28 -2.836 -2.480 -8.166 1.00 0.00 C ATOM 198 NE ARG A 28 -3.350 -2.336 -9.525 1.00 0.00 N ATOM 199 CZ ARG A 28 -3.482 -1.166 -10.146 1.00 0.00 C ATOM 200 NH1 ARG A 28 -3.141 -0.039 -9.534 1.00 0.00 N ATOM 201 NH2 ARG A 28 -3.957 -1.122 -11.383 1.00 0.00 N ATOM 0 H ARG A 28 -1.783 -6.378 -5.792 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.118 -3.509 -5.587 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.697 -5.008 -6.182 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.621 -3.275 -5.933 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.701 -4.290 -7.948 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.383 -4.547 -8.367 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.497 -1.962 -7.471 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.860 -2.001 -8.095 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.624 -3.180 -10.027 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.775 -0.066 -8.582 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.245 0.854 -10.015 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.221 -1.985 -11.859 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.058 -0.225 -11.859 1.00 0.00 H new ATOM 215 N VAL A 29 -1.561 -3.405 -3.163 1.00 0.00 N ATOM 216 CA VAL A 29 -1.855 -3.253 -1.743 1.00 0.00 C ATOM 217 C VAL A 29 -2.407 -1.862 -1.447 1.00 0.00 C ATOM 218 O VAL A 29 -1.689 -0.866 -1.539 1.00 0.00 O ATOM 219 CB VAL A 29 -0.601 -3.492 -0.881 1.00 0.00 C ATOM 220 CG1 VAL A 29 -0.960 -3.485 0.598 1.00 0.00 C ATOM 221 CG2 VAL A 29 0.074 -4.800 -1.267 1.00 0.00 C ATOM 0 H VAL A 29 -0.810 -2.806 -3.504 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.606 -4.002 -1.490 1.00 0.00 H new ATOM 0 HB VAL A 29 0.103 -2.680 -1.065 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.062 -3.655 1.191 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.392 -2.520 0.863 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.684 -4.275 0.800 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.958 -4.950 -0.647 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.621 -5.626 -1.116 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.369 -4.762 -2.316 1.00 0.00 H new ATOM 231 N ASP A 30 -3.685 -1.801 -1.088 1.00 0.00 N ATOM 232 CA ASP A 30 -4.332 -0.532 -0.778 1.00 0.00 C ATOM 233 C ASP A 30 -3.971 -0.067 0.629 1.00 0.00 C ATOM 234 O ASP A 30 -3.815 -0.880 1.541 1.00 0.00 O ATOM 235 CB ASP A 30 -5.849 -0.662 -0.912 1.00 0.00 C ATOM 236 CG ASP A 30 -6.321 -0.496 -2.342 1.00 0.00 C ATOM 237 OD1 ASP A 30 -5.892 -1.289 -3.205 1.00 0.00 O ATOM 238 OD2 ASP A 30 -7.120 0.431 -2.600 1.00 0.00 O ATOM 0 H ASP A 30 -4.293 -2.616 -1.005 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.975 0.212 -1.490 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.161 -1.638 -0.541 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.332 0.087 -0.284 1.00 0.00 H new ATOM 243 N VAL A 31 -3.839 1.245 0.798 1.00 0.00 N ATOM 244 CA VAL A 31 -3.495 1.817 2.094 1.00 0.00 C ATOM 245 C VAL A 31 -4.404 2.998 2.431 1.00 0.00 C ATOM 246 O VAL A 31 -4.164 4.122 1.986 1.00 0.00 O ATOM 247 CB VAL A 31 -2.029 2.286 2.132 1.00 0.00 C ATOM 248 CG1 VAL A 31 -1.637 2.705 3.540 1.00 0.00 C ATOM 249 CG2 VAL A 31 -1.107 1.191 1.617 1.00 0.00 C ATOM 0 H VAL A 31 -3.965 1.931 0.054 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.634 1.029 2.834 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.927 3.153 1.480 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.598 3.033 3.546 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.278 3.524 3.868 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.754 1.859 4.217 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.075 1.539 1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.211 0.304 2.242 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.373 0.945 0.589 1.00 0.00 H new ATOM 259 N PRO A 32 -5.467 2.759 3.220 1.00 0.00 N ATOM 260 CA PRO A 32 -6.412 3.800 3.609 1.00 0.00 C ATOM 261 C PRO A 32 -5.964 4.560 4.855 1.00 0.00 C ATOM 262 O PRO A 32 -5.846 3.983 5.936 1.00 0.00 O ATOM 263 CB PRO A 32 -7.677 3.001 3.900 1.00 0.00 C ATOM 264 CG PRO A 32 -7.183 1.698 4.432 1.00 0.00 C ATOM 265 CD PRO A 32 -5.839 1.447 3.788 1.00 0.00 C ATOM 0 HA PRO A 32 -6.527 4.566 2.842 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.310 3.511 4.626 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.274 2.861 2.999 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.091 1.733 5.518 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.881 0.894 4.197 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.104 1.104 4.517 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.903 0.681 3.015 1.00 0.00 H new ATOM 273 N CYS A 33 -5.722 5.858 4.699 1.00 0.00 N ATOM 274 CA CYS A 33 -5.294 6.693 5.815 1.00 0.00 C ATOM 275 C CYS A 33 -6.494 7.344 6.494 1.00 0.00 C ATOM 276 O CYS A 33 -7.365 7.911 5.831 1.00 0.00 O ATOM 277 CB CYS A 33 -4.314 7.767 5.335 1.00 0.00 C ATOM 278 SG CYS A 33 -2.899 8.020 6.431 1.00 0.00 S ATOM 0 H CYS A 33 -5.815 6.353 3.812 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.789 6.056 6.541 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.949 7.494 4.345 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.850 8.710 5.228 1.00 0.00 H new ATOM 0 HG CYS A 33 -2.129 8.944 5.939 1.00 0.00 H new ATOM 284 N GLY A 34 -6.537 7.253 7.818 1.00 0.00 N ATOM 285 CA GLY A 34 -7.637 7.829 8.571 1.00 0.00 C ATOM 286 C GLY A 34 -7.837 9.306 8.290 1.00 0.00 C ATOM 287 O GLY A 34 -8.971 9.785 8.238 1.00 0.00 O ATOM 0 H GLY A 34 -5.828 6.789 8.386 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.555 7.292 8.332 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.454 7.689 9.636 1.00 0.00 H new ATOM 291 N ASP A 35 -6.739 10.034 8.113 1.00 0.00 N ATOM 292 CA ASP A 35 -6.812 11.466 7.845 1.00 0.00 C ATOM 293 C ASP A 35 -5.854 11.866 6.727 1.00 0.00 C ATOM 294 O ASP A 35 -6.223 12.603 5.813 1.00 0.00 O ATOM 295 CB ASP A 35 -6.490 12.259 9.111 1.00 0.00 C ATOM 296 CG ASP A 35 -7.730 12.591 9.917 1.00 0.00 C ATOM 297 OD1 ASP A 35 -8.592 13.333 9.401 1.00 0.00 O ATOM 298 OD2 ASP A 35 -7.839 12.110 11.065 1.00 0.00 O ATOM 0 H ASP A 35 -5.792 9.658 8.150 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.829 11.695 7.525 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.801 11.685 9.730 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.980 13.183 8.838 1.00 0.00 H new ATOM 303 N GLY A 36 -4.622 11.378 6.810 1.00 0.00 N ATOM 304 CA GLY A 36 -3.627 11.698 5.804 1.00 0.00 C ATOM 305 C GLY A 36 -2.417 12.407 6.385 1.00 0.00 C ATOM 306 O GLY A 36 -1.633 13.007 5.651 1.00 0.00 O ATOM 0 H GLY A 36 -4.294 10.766 7.557 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.304 10.780 5.312 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.080 12.328 5.038 1.00 0.00 H new ATOM 310 N ARG A 37 -2.261 12.335 7.705 1.00 0.00 N ATOM 311 CA ARG A 37 -1.135 12.970 8.377 1.00 0.00 C ATOM 312 C ARG A 37 -0.017 11.961 8.625 1.00 0.00 C ATOM 313 O ARG A 37 0.739 12.079 9.590 1.00 0.00 O ATOM 314 CB ARG A 37 -1.588 13.589 9.703 1.00 0.00 C ATOM 315 CG ARG A 37 -1.659 15.107 9.672 1.00 0.00 C ATOM 316 CD ARG A 37 -1.522 15.698 11.066 1.00 0.00 C ATOM 317 NE ARG A 37 -0.131 15.733 11.513 1.00 0.00 N ATOM 318 CZ ARG A 37 0.235 15.847 12.787 1.00 0.00 C ATOM 319 NH1 ARG A 37 -0.680 15.938 13.745 1.00 0.00 N ATOM 320 NH2 ARG A 37 1.523 15.871 13.107 1.00 0.00 N ATOM 0 H ARG A 37 -2.901 11.843 8.328 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.752 13.760 7.731 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.570 13.193 9.963 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.901 13.282 10.492 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.868 15.497 9.031 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.607 15.419 9.234 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.930 16.709 11.073 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.114 15.111 11.768 1.00 0.00 H new ATOM 0 HE ARG A 37 0.602 15.666 10.807 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.672 15.921 13.506 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.391 16.025 14.719 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.231 15.802 12.376 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.804 15.958 14.084 1.00 0.00 H new ATOM 334 N MET A 38 0.078 10.971 7.745 1.00 0.00 N ATOM 335 CA MET A 38 1.099 9.938 7.862 1.00 0.00 C ATOM 336 C MET A 38 2.146 10.089 6.764 1.00 0.00 C ATOM 337 O MET A 38 1.821 10.063 5.576 1.00 0.00 O ATOM 338 CB MET A 38 0.457 8.552 7.783 1.00 0.00 C ATOM 339 CG MET A 38 1.061 7.542 8.746 1.00 0.00 C ATOM 340 SD MET A 38 -0.189 6.593 9.635 1.00 0.00 S ATOM 341 CE MET A 38 -0.819 5.554 8.319 1.00 0.00 C ATOM 0 H MET A 38 -0.541 10.862 6.942 1.00 0.00 H new ATOM 0 HA MET A 38 1.591 10.049 8.828 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.610 8.643 7.988 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.555 8.174 6.765 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.705 6.858 8.192 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.693 8.064 9.464 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.014 4.554 8.707 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.744 5.980 7.931 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.082 5.495 7.518 1.00 0.00 H new ATOM 351 N LYS A 39 3.403 10.243 7.164 1.00 0.00 N ATOM 352 CA LYS A 39 4.493 10.396 6.209 1.00 0.00 C ATOM 353 C LYS A 39 4.569 9.188 5.280 1.00 0.00 C ATOM 354 O LYS A 39 4.085 8.104 5.613 1.00 0.00 O ATOM 355 CB LYS A 39 5.823 10.576 6.944 1.00 0.00 C ATOM 356 CG LYS A 39 5.889 11.839 7.784 1.00 0.00 C ATOM 357 CD LYS A 39 7.324 12.213 8.120 1.00 0.00 C ATOM 358 CE LYS A 39 7.687 11.814 9.541 1.00 0.00 C ATOM 359 NZ LYS A 39 8.348 10.481 9.593 1.00 0.00 N ATOM 0 H LYS A 39 3.692 10.265 8.142 1.00 0.00 H new ATOM 0 HA LYS A 39 4.298 11.284 5.608 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.992 9.713 7.588 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.632 10.593 6.214 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.415 12.660 7.246 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.325 11.694 8.705 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.002 11.725 7.420 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.459 13.288 7.997 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.350 12.565 9.970 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.786 11.796 10.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.579 10.246 10.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.706 9.760 9.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.221 10.504 9.029 1.00 0.00 H new ATOM 373 N VAL A 40 5.175 9.378 4.112 1.00 0.00 N ATOM 374 CA VAL A 40 5.308 8.298 3.139 1.00 0.00 C ATOM 375 C VAL A 40 5.920 7.055 3.774 1.00 0.00 C ATOM 376 O VAL A 40 5.359 5.963 3.687 1.00 0.00 O ATOM 377 CB VAL A 40 6.178 8.721 1.937 1.00 0.00 C ATOM 378 CG1 VAL A 40 6.198 7.626 0.878 1.00 0.00 C ATOM 379 CG2 VAL A 40 5.681 10.032 1.348 1.00 0.00 C ATOM 0 H VAL A 40 5.581 10.266 3.817 1.00 0.00 H new ATOM 0 HA VAL A 40 4.301 8.070 2.789 1.00 0.00 H new ATOM 0 HB VAL A 40 7.198 8.873 2.290 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.817 7.943 0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.609 6.712 1.307 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.182 7.438 0.530 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.309 10.312 0.502 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.651 9.913 1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.727 10.813 2.107 1.00 0.00 H new ATOM 389 N PHE A 41 7.074 7.227 4.414 1.00 0.00 N ATOM 390 CA PHE A 41 7.769 6.117 5.059 1.00 0.00 C ATOM 391 C PHE A 41 6.824 5.320 5.954 1.00 0.00 C ATOM 392 O PHE A 41 6.985 4.111 6.122 1.00 0.00 O ATOM 393 CB PHE A 41 8.950 6.637 5.879 1.00 0.00 C ATOM 394 CG PHE A 41 9.764 5.547 6.517 1.00 0.00 C ATOM 395 CD1 PHE A 41 9.320 4.917 7.669 1.00 0.00 C ATOM 396 CD2 PHE A 41 10.973 5.154 5.967 1.00 0.00 C ATOM 397 CE1 PHE A 41 10.067 3.914 8.258 1.00 0.00 C ATOM 398 CE2 PHE A 41 11.724 4.153 6.552 1.00 0.00 C ATOM 399 CZ PHE A 41 11.270 3.532 7.699 1.00 0.00 C ATOM 0 H PHE A 41 7.548 8.126 4.500 1.00 0.00 H new ATOM 0 HA PHE A 41 8.139 5.453 4.278 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.596 7.232 5.233 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.577 7.303 6.657 1.00 0.00 H new ATOM 0 HD1 PHE A 41 8.380 5.213 8.111 1.00 0.00 H new ATOM 0 HD2 PHE A 41 11.333 5.636 5.070 1.00 0.00 H new ATOM 0 HE1 PHE A 41 9.710 3.430 9.155 1.00 0.00 H new ATOM 0 HE2 PHE A 41 12.665 3.856 6.113 1.00 0.00 H new ATOM 0 HZ PHE A 41 11.855 2.749 8.158 1.00 0.00 H new ATOM 409 N SER A 42 5.833 6.001 6.517 1.00 0.00 N ATOM 410 CA SER A 42 4.862 5.346 7.382 1.00 0.00 C ATOM 411 C SER A 42 3.898 4.506 6.554 1.00 0.00 C ATOM 412 O SER A 42 3.545 3.385 6.931 1.00 0.00 O ATOM 413 CB SER A 42 4.090 6.383 8.197 1.00 0.00 C ATOM 414 OG SER A 42 4.963 7.152 9.006 1.00 0.00 O ATOM 0 H SER A 42 5.682 7.002 6.390 1.00 0.00 H new ATOM 0 HA SER A 42 5.397 4.690 8.069 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.539 7.041 7.525 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.355 5.881 8.826 1.00 0.00 H new ATOM 0 HG SER A 42 4.444 7.809 9.515 1.00 0.00 H new ATOM 420 N LEU A 43 3.482 5.049 5.414 1.00 0.00 N ATOM 421 CA LEU A 43 2.566 4.348 4.526 1.00 0.00 C ATOM 422 C LEU A 43 3.262 3.165 3.866 1.00 0.00 C ATOM 423 O LEU A 43 2.660 2.107 3.675 1.00 0.00 O ATOM 424 CB LEU A 43 2.020 5.298 3.458 1.00 0.00 C ATOM 425 CG LEU A 43 1.008 4.672 2.493 1.00 0.00 C ATOM 426 CD1 LEU A 43 -0.188 5.591 2.300 1.00 0.00 C ATOM 427 CD2 LEU A 43 1.665 4.362 1.157 1.00 0.00 C ATOM 0 H LEU A 43 3.766 5.972 5.085 1.00 0.00 H new ATOM 0 HA LEU A 43 1.732 3.976 5.122 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.550 6.147 3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.857 5.690 2.880 1.00 0.00 H new ATOM 0 HG LEU A 43 0.654 3.737 2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.895 5.128 1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.675 5.761 3.260 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.148 6.544 1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.931 3.918 0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.049 5.283 0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.487 3.663 1.309 1.00 0.00 H new ATOM 439 N ILE A 44 4.534 3.346 3.525 1.00 0.00 N ATOM 440 CA ILE A 44 5.306 2.286 2.895 1.00 0.00 C ATOM 441 C ILE A 44 5.455 1.097 3.834 1.00 0.00 C ATOM 442 O ILE A 44 5.251 -0.047 3.435 1.00 0.00 O ATOM 443 CB ILE A 44 6.704 2.772 2.472 1.00 0.00 C ATOM 444 CG1 ILE A 44 6.586 4.050 1.637 1.00 0.00 C ATOM 445 CG2 ILE A 44 7.427 1.679 1.698 1.00 0.00 C ATOM 446 CD1 ILE A 44 7.822 4.369 0.821 1.00 0.00 C ATOM 0 H ILE A 44 5.048 4.214 3.674 1.00 0.00 H new ATOM 0 HA ILE A 44 4.759 1.983 2.003 1.00 0.00 H new ATOM 0 HB ILE A 44 7.288 3.000 3.364 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.734 3.955 0.964 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.376 4.888 2.302 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.415 2.034 1.404 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.532 0.796 2.328 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.853 1.424 0.807 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.659 5.288 0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.675 4.498 1.488 1.00 0.00 H new ATOM 0 HD13 ILE A 44 8.023 3.551 0.130 1.00 0.00 H new ATOM 458 N GLN A 45 5.810 1.374 5.085 1.00 0.00 N ATOM 459 CA GLN A 45 5.980 0.321 6.077 1.00 0.00 C ATOM 460 C GLN A 45 4.683 -0.456 6.262 1.00 0.00 C ATOM 461 O GLN A 45 4.690 -1.685 6.344 1.00 0.00 O ATOM 462 CB GLN A 45 6.432 0.915 7.415 1.00 0.00 C ATOM 463 CG GLN A 45 7.202 -0.064 8.286 1.00 0.00 C ATOM 464 CD GLN A 45 8.639 -0.242 7.834 1.00 0.00 C ATOM 465 OE1 GLN A 45 8.902 -0.637 6.697 1.00 0.00 O ATOM 466 NE2 GLN A 45 9.581 0.053 8.724 1.00 0.00 N ATOM 0 H GLN A 45 5.985 2.316 5.434 1.00 0.00 H new ATOM 0 HA GLN A 45 6.748 -0.364 5.719 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.057 1.787 7.223 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.556 1.264 7.962 1.00 0.00 H new ATOM 0 HG2 GLN A 45 7.190 0.287 9.318 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.698 -1.031 8.272 1.00 0.00 H new ATOM 0 HE21 GLN A 45 9.319 0.377 9.655 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.566 -0.045 8.476 1.00 0.00 H new ATOM 475 N GLN A 46 3.572 0.268 6.318 1.00 0.00 N ATOM 476 CA GLN A 46 2.265 -0.357 6.485 1.00 0.00 C ATOM 477 C GLN A 46 1.927 -1.228 5.278 1.00 0.00 C ATOM 478 O GLN A 46 1.370 -2.318 5.420 1.00 0.00 O ATOM 479 CB GLN A 46 1.187 0.711 6.680 1.00 0.00 C ATOM 480 CG GLN A 46 0.838 0.963 8.139 1.00 0.00 C ATOM 481 CD GLN A 46 1.317 2.317 8.626 1.00 0.00 C ATOM 482 OE1 GLN A 46 0.824 3.358 8.191 1.00 0.00 O ATOM 483 NE2 GLN A 46 2.282 2.310 9.539 1.00 0.00 N ATOM 0 H GLN A 46 3.549 1.286 6.251 1.00 0.00 H new ATOM 0 HA GLN A 46 2.299 -0.991 7.371 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.526 1.644 6.230 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.286 0.408 6.146 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -0.242 0.896 8.267 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.282 0.181 8.755 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.662 1.424 9.872 1.00 0.00 H new ATOM 0 HE22 GLN A 46 2.642 3.190 9.907 1.00 0.00 H new ATOM 492 N ALA A 47 2.269 -0.740 4.088 1.00 0.00 N ATOM 493 CA ALA A 47 2.004 -1.472 2.855 1.00 0.00 C ATOM 494 C ALA A 47 2.914 -2.688 2.733 1.00 0.00 C ATOM 495 O ALA A 47 2.473 -3.772 2.346 1.00 0.00 O ATOM 496 CB ALA A 47 2.177 -0.558 1.650 1.00 0.00 C ATOM 0 H ALA A 47 2.730 0.160 3.953 1.00 0.00 H new ATOM 0 HA ALA A 47 0.973 -1.824 2.885 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.976 -1.118 0.737 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.481 0.277 1.724 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.198 -0.178 1.625 1.00 0.00 H new ATOM 502 N VAL A 48 4.187 -2.504 3.069 1.00 0.00 N ATOM 503 CA VAL A 48 5.163 -3.586 3.002 1.00 0.00 C ATOM 504 C VAL A 48 4.712 -4.772 3.846 1.00 0.00 C ATOM 505 O VAL A 48 4.621 -5.898 3.358 1.00 0.00 O ATOM 506 CB VAL A 48 6.554 -3.115 3.478 1.00 0.00 C ATOM 507 CG1 VAL A 48 7.556 -4.261 3.442 1.00 0.00 C ATOM 508 CG2 VAL A 48 7.039 -1.950 2.630 1.00 0.00 C ATOM 0 H VAL A 48 4.567 -1.614 3.391 1.00 0.00 H new ATOM 0 HA VAL A 48 5.237 -3.894 1.959 1.00 0.00 H new ATOM 0 HB VAL A 48 6.466 -2.777 4.510 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.529 -3.905 3.782 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.215 -5.063 4.096 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.643 -4.636 2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.021 -1.630 2.979 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.108 -2.262 1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.336 -1.121 2.714 1.00 0.00 H new ATOM 518 N THR A 49 4.424 -4.508 5.116 1.00 0.00 N ATOM 519 CA THR A 49 3.971 -5.553 6.027 1.00 0.00 C ATOM 520 C THR A 49 2.693 -6.203 5.506 1.00 0.00 C ATOM 521 O THR A 49 2.542 -7.425 5.542 1.00 0.00 O ATOM 522 CB THR A 49 3.733 -4.975 7.424 1.00 0.00 C ATOM 523 OG1 THR A 49 4.909 -4.365 7.922 1.00 0.00 O ATOM 524 CG2 THR A 49 3.289 -6.012 8.434 1.00 0.00 C ATOM 0 H THR A 49 4.496 -3.582 5.537 1.00 0.00 H new ATOM 0 HA THR A 49 4.749 -6.314 6.088 1.00 0.00 H new ATOM 0 HB THR A 49 2.932 -4.246 7.301 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.004 -3.471 7.532 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.138 -5.535 9.403 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.355 -6.465 8.103 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.054 -6.783 8.524 1.00 0.00 H new ATOM 532 N ARG A 50 1.776 -5.376 5.013 1.00 0.00 N ATOM 533 CA ARG A 50 0.514 -5.869 4.478 1.00 0.00 C ATOM 534 C ARG A 50 0.740 -6.638 3.178 1.00 0.00 C ATOM 535 O ARG A 50 -0.036 -7.527 2.830 1.00 0.00 O ATOM 536 CB ARG A 50 -0.453 -4.707 4.241 1.00 0.00 C ATOM 537 CG ARG A 50 -1.515 -4.572 5.319 1.00 0.00 C ATOM 538 CD ARG A 50 -2.873 -4.231 4.725 1.00 0.00 C ATOM 539 NE ARG A 50 -3.104 -2.789 4.681 1.00 0.00 N ATOM 540 CZ ARG A 50 -3.268 -2.030 5.762 1.00 0.00 C ATOM 541 NH1 ARG A 50 -3.225 -2.570 6.973 1.00 0.00 N ATOM 542 NH2 ARG A 50 -3.474 -0.726 5.631 1.00 0.00 N ATOM 0 H ARG A 50 1.884 -4.363 4.973 1.00 0.00 H new ATOM 0 HA ARG A 50 0.076 -6.549 5.209 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.115 -3.778 4.183 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.941 -4.842 3.276 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.586 -5.504 5.880 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.221 -3.796 6.026 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.941 -4.640 3.717 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.657 -4.706 5.315 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.142 -2.337 3.767 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.066 -3.572 7.079 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.351 -1.983 7.798 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.507 -0.306 4.702 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.600 -0.144 6.459 1.00 0.00 H new ATOM 556 N TYR A 51 1.808 -6.290 2.465 1.00 0.00 N ATOM 557 CA TYR A 51 2.133 -6.950 1.207 1.00 0.00 C ATOM 558 C TYR A 51 2.537 -8.403 1.445 1.00 0.00 C ATOM 559 O TYR A 51 1.931 -9.322 0.893 1.00 0.00 O ATOM 560 CB TYR A 51 3.260 -6.199 0.487 1.00 0.00 C ATOM 561 CG TYR A 51 3.939 -7.008 -0.598 1.00 0.00 C ATOM 562 CD1 TYR A 51 3.259 -7.357 -1.758 1.00 0.00 C ATOM 563 CD2 TYR A 51 5.256 -7.426 -0.458 1.00 0.00 C ATOM 564 CE1 TYR A 51 3.874 -8.100 -2.748 1.00 0.00 C ATOM 565 CE2 TYR A 51 5.878 -8.170 -1.443 1.00 0.00 C ATOM 566 CZ TYR A 51 5.181 -8.504 -2.585 1.00 0.00 C ATOM 567 OH TYR A 51 5.797 -9.245 -3.568 1.00 0.00 O ATOM 0 H TYR A 51 2.461 -5.556 2.738 1.00 0.00 H new ATOM 0 HA TYR A 51 1.243 -6.940 0.577 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.854 -5.288 0.047 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.006 -5.894 1.220 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.234 -7.043 -1.888 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.803 -7.165 0.436 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.333 -8.363 -3.645 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.903 -8.488 -1.319 1.00 0.00 H new ATOM 0 HH TYR A 51 6.717 -9.447 -3.297 1.00 0.00 H new ATOM 577 N ARG A 52 3.563 -8.604 2.265 1.00 0.00 N ATOM 578 CA ARG A 52 4.041 -9.949 2.567 1.00 0.00 C ATOM 579 C ARG A 52 2.930 -10.790 3.188 1.00 0.00 C ATOM 580 O ARG A 52 2.807 -11.981 2.902 1.00 0.00 O ATOM 581 CB ARG A 52 5.255 -9.891 3.502 1.00 0.00 C ATOM 582 CG ARG A 52 4.914 -9.527 4.939 1.00 0.00 C ATOM 583 CD ARG A 52 6.080 -8.847 5.640 1.00 0.00 C ATOM 584 NE ARG A 52 7.364 -9.453 5.291 1.00 0.00 N ATOM 585 CZ ARG A 52 8.541 -8.864 5.494 1.00 0.00 C ATOM 586 NH1 ARG A 52 8.602 -7.660 6.048 1.00 0.00 N ATOM 587 NH2 ARG A 52 9.660 -9.483 5.144 1.00 0.00 N ATOM 0 H ARG A 52 4.078 -7.857 2.731 1.00 0.00 H new ATOM 0 HA ARG A 52 4.346 -10.420 1.633 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.754 -10.860 3.492 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.966 -9.162 3.113 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.047 -8.866 4.951 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.636 -10.428 5.486 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.095 -7.790 5.374 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.935 -8.902 6.719 1.00 0.00 H new ATOM 0 HE ARG A 52 7.358 -10.381 4.867 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.744 -7.180 6.321 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.507 -7.214 6.201 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.619 -10.410 4.720 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.562 -9.033 5.299 1.00 0.00 H new ATOM 601 N LYS A 53 2.121 -10.160 4.033 1.00 0.00 N ATOM 602 CA LYS A 53 1.016 -10.849 4.692 1.00 0.00 C ATOM 603 C LYS A 53 -0.113 -11.141 3.705 1.00 0.00 C ATOM 604 O LYS A 53 -0.845 -12.120 3.858 1.00 0.00 O ATOM 605 CB LYS A 53 0.489 -10.009 5.859 1.00 0.00 C ATOM 606 CG LYS A 53 0.624 -10.695 7.209 1.00 0.00 C ATOM 607 CD LYS A 53 1.969 -10.400 7.853 1.00 0.00 C ATOM 608 CE LYS A 53 3.046 -11.349 7.355 1.00 0.00 C ATOM 609 NZ LYS A 53 2.906 -12.709 7.945 1.00 0.00 N ATOM 0 H LYS A 53 2.209 -9.174 4.278 1.00 0.00 H new ATOM 0 HA LYS A 53 1.389 -11.798 5.076 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.027 -9.061 5.886 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.561 -9.775 5.683 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.177 -10.362 7.869 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.508 -11.772 7.084 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.260 -9.372 7.636 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.881 -10.484 8.936 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.995 -11.418 6.268 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.028 -10.945 7.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.716 -13.296 7.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.879 -12.636 8.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.026 -13.146 7.605 1.00 0.00 H new ATOM 623 N ALA A 54 -0.254 -10.285 2.698 1.00 0.00 N ATOM 624 CA ALA A 54 -1.299 -10.449 1.692 1.00 0.00 C ATOM 625 C ALA A 54 -0.868 -11.410 0.589 1.00 0.00 C ATOM 626 O ALA A 54 -1.699 -12.096 -0.007 1.00 0.00 O ATOM 627 CB ALA A 54 -1.672 -9.099 1.099 1.00 0.00 C ATOM 0 H ALA A 54 0.343 -9.470 2.556 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.172 -10.878 2.184 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.452 -9.234 0.350 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.037 -8.443 1.889 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.794 -8.652 0.632 1.00 0.00 H new ATOM 633 N VAL A 55 0.432 -11.455 0.319 1.00 0.00 N ATOM 634 CA VAL A 55 0.966 -12.333 -0.718 1.00 0.00 C ATOM 635 C VAL A 55 1.268 -13.731 -0.175 1.00 0.00 C ATOM 636 O VAL A 55 1.861 -14.557 -0.867 1.00 0.00 O ATOM 637 CB VAL A 55 2.248 -11.746 -1.342 1.00 0.00 C ATOM 638 CG1 VAL A 55 3.362 -11.666 -0.309 1.00 0.00 C ATOM 639 CG2 VAL A 55 2.683 -12.569 -2.545 1.00 0.00 C ATOM 0 H VAL A 55 1.135 -10.895 0.802 1.00 0.00 H new ATOM 0 HA VAL A 55 0.196 -12.412 -1.485 1.00 0.00 H new ATOM 0 HB VAL A 55 2.030 -10.734 -1.683 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.257 -11.249 -0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.048 -11.027 0.516 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.580 -12.665 0.069 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.589 -12.139 -2.972 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.880 -13.594 -2.232 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.892 -12.564 -3.295 1.00 0.00 H new ATOM 649 N ALA A 56 0.850 -13.994 1.063 1.00 0.00 N ATOM 650 CA ALA A 56 1.075 -15.294 1.686 1.00 0.00 C ATOM 651 C ALA A 56 2.552 -15.515 2.004 1.00 0.00 C ATOM 652 O ALA A 56 3.007 -16.656 2.101 1.00 0.00 O ATOM 653 CB ALA A 56 0.552 -16.410 0.793 1.00 0.00 C ATOM 0 H ALA A 56 0.355 -13.324 1.652 1.00 0.00 H new ATOM 0 HA ALA A 56 0.526 -15.309 2.628 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.728 -17.373 1.273 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.517 -16.275 0.631 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.070 -16.382 -0.165 1.00 0.00 H new ATOM 659 N LYS A 57 3.296 -14.426 2.169 1.00 0.00 N ATOM 660 CA LYS A 57 4.717 -14.515 2.484 1.00 0.00 C ATOM 661 C LYS A 57 4.958 -14.278 3.970 1.00 0.00 C ATOM 662 O LYS A 57 4.015 -14.113 4.742 1.00 0.00 O ATOM 663 CB LYS A 57 5.519 -13.508 1.660 1.00 0.00 C ATOM 664 CG LYS A 57 5.995 -14.059 0.327 1.00 0.00 C ATOM 665 CD LYS A 57 6.266 -12.946 -0.668 1.00 0.00 C ATOM 666 CE LYS A 57 7.442 -13.278 -1.572 1.00 0.00 C ATOM 667 NZ LYS A 57 7.922 -12.085 -2.325 1.00 0.00 N ATOM 0 H LYS A 57 2.939 -13.474 2.090 1.00 0.00 H new ATOM 0 HA LYS A 57 5.052 -15.521 2.231 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.905 -12.626 1.481 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.383 -13.183 2.239 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.902 -14.644 0.477 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.243 -14.736 -0.078 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.377 -12.775 -1.275 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.469 -12.019 -0.132 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.258 -13.680 -0.972 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.150 -14.057 -2.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.691 -12.366 -2.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.138 -11.685 -2.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.273 -11.370 -1.656 1.00 0.00 H new ATOM 681 N ASP A 58 6.226 -14.261 4.364 1.00 0.00 N ATOM 682 CA ASP A 58 6.588 -14.041 5.758 1.00 0.00 C ATOM 683 C ASP A 58 7.856 -13.196 5.860 1.00 0.00 C ATOM 684 O ASP A 58 8.455 -12.836 4.847 1.00 0.00 O ATOM 685 CB ASP A 58 6.786 -15.381 6.471 1.00 0.00 C ATOM 686 CG ASP A 58 5.730 -15.633 7.531 1.00 0.00 C ATOM 687 OD1 ASP A 58 4.548 -15.321 7.276 1.00 0.00 O ATOM 688 OD2 ASP A 58 6.086 -16.140 8.615 1.00 0.00 O ATOM 0 H ASP A 58 7.020 -14.397 3.738 1.00 0.00 H new ATOM 0 HA ASP A 58 5.775 -13.500 6.243 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.761 -16.187 5.738 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.773 -15.401 6.933 1.00 0.00 H new ATOM 693 N PRO A 59 8.282 -12.866 7.092 1.00 0.00 N ATOM 694 CA PRO A 59 9.483 -12.056 7.326 1.00 0.00 C ATOM 695 C PRO A 59 10.769 -12.765 6.901 1.00 0.00 C ATOM 696 O PRO A 59 11.849 -12.173 6.933 1.00 0.00 O ATOM 697 CB PRO A 59 9.482 -11.825 8.846 1.00 0.00 C ATOM 698 CG PRO A 59 8.110 -12.190 9.303 1.00 0.00 C ATOM 699 CD PRO A 59 7.627 -13.244 8.352 1.00 0.00 C ATOM 0 HA PRO A 59 9.460 -11.137 6.741 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.236 -12.440 9.337 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.712 -10.787 9.085 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.126 -12.565 10.326 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.451 -11.322 9.292 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.916 -14.244 8.675 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.541 -13.240 8.261 1.00 0.00 H new ATOM 707 N ASN A 60 10.657 -14.032 6.504 1.00 0.00 N ATOM 708 CA ASN A 60 11.819 -14.806 6.079 1.00 0.00 C ATOM 709 C ASN A 60 12.620 -14.055 5.022 1.00 0.00 C ATOM 710 O ASN A 60 13.705 -13.545 5.298 1.00 0.00 O ATOM 711 CB ASN A 60 11.379 -16.167 5.531 1.00 0.00 C ATOM 712 CG ASN A 60 11.217 -17.201 6.626 1.00 0.00 C ATOM 713 OD1 ASN A 60 12.198 -17.701 7.178 1.00 0.00 O ATOM 714 ND2 ASN A 60 9.971 -17.533 6.947 1.00 0.00 N ATOM 0 H ASN A 60 9.774 -14.542 6.468 1.00 0.00 H new ATOM 0 HA ASN A 60 12.457 -14.960 6.949 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.435 -16.054 4.998 1.00 0.00 H new ATOM 0 HB3 ASN A 60 12.113 -16.520 4.807 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.799 -18.226 7.675 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.186 -17.095 6.465 1.00 0.00 H new ATOM 721 N TYR A 61 12.079 -13.994 3.812 1.00 0.00 N ATOM 722 CA TYR A 61 12.746 -13.304 2.715 1.00 0.00 C ATOM 723 C TYR A 61 12.925 -11.821 3.036 1.00 0.00 C ATOM 724 O TYR A 61 12.072 -11.209 3.678 1.00 0.00 O ATOM 725 CB TYR A 61 11.953 -13.482 1.414 1.00 0.00 C ATOM 726 CG TYR A 61 10.737 -12.585 1.293 1.00 0.00 C ATOM 727 CD1 TYR A 61 9.842 -12.442 2.347 1.00 0.00 C ATOM 728 CD2 TYR A 61 10.485 -11.885 0.120 1.00 0.00 C ATOM 729 CE1 TYR A 61 8.731 -11.629 2.233 1.00 0.00 C ATOM 730 CE2 TYR A 61 9.377 -11.069 -0.001 1.00 0.00 C ATOM 731 CZ TYR A 61 8.503 -10.944 1.058 1.00 0.00 C ATOM 732 OH TYR A 61 7.395 -10.134 0.944 1.00 0.00 O ATOM 0 H TYR A 61 11.182 -14.413 3.565 1.00 0.00 H new ATOM 0 HA TYR A 61 13.735 -13.744 2.583 1.00 0.00 H new ATOM 0 HB2 TYR A 61 12.616 -13.291 0.570 1.00 0.00 H new ATOM 0 HB3 TYR A 61 11.632 -14.521 1.338 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.018 -12.975 3.270 1.00 0.00 H new ATOM 0 HD2 TYR A 61 11.167 -11.980 -0.712 1.00 0.00 H new ATOM 0 HE1 TYR A 61 8.044 -11.530 3.060 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.196 -10.532 -0.920 1.00 0.00 H new ATOM 0 HH TYR A 61 7.216 -9.956 -0.003 1.00 0.00 H new ATOM 742 N TRP A 62 14.040 -11.250 2.589 1.00 0.00 N ATOM 743 CA TRP A 62 14.321 -9.841 2.835 1.00 0.00 C ATOM 744 C TRP A 62 13.498 -8.958 1.905 1.00 0.00 C ATOM 745 O TRP A 62 13.096 -9.392 0.821 1.00 0.00 O ATOM 746 CB TRP A 62 15.817 -9.550 2.650 1.00 0.00 C ATOM 747 CG TRP A 62 16.165 -9.045 1.280 1.00 0.00 C ATOM 748 CD1 TRP A 62 15.876 -9.647 0.092 1.00 0.00 C ATOM 749 CD2 TRP A 62 16.850 -7.830 0.957 1.00 0.00 C ATOM 750 NE1 TRP A 62 16.352 -8.892 -0.949 1.00 0.00 N ATOM 751 CE2 TRP A 62 16.951 -7.770 -0.445 1.00 0.00 C ATOM 752 CE3 TRP A 62 17.389 -6.789 1.717 1.00 0.00 C ATOM 753 CZ2 TRP A 62 17.570 -6.710 -1.102 1.00 0.00 C ATOM 754 CZ3 TRP A 62 18.000 -5.738 1.062 1.00 0.00 C ATOM 755 CH2 TRP A 62 18.086 -5.705 -0.334 1.00 0.00 C ATOM 0 H TRP A 62 14.760 -11.739 2.057 1.00 0.00 H new ATOM 0 HA TRP A 62 14.044 -9.615 3.865 1.00 0.00 H new ATOM 0 HB2 TRP A 62 16.130 -8.813 3.390 1.00 0.00 H new ATOM 0 HB3 TRP A 62 16.383 -10.460 2.847 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.348 -10.583 -0.014 1.00 0.00 H new ATOM 0 HE1 TRP A 62 16.272 -9.128 -1.938 1.00 0.00 H new ATOM 0 HE3 TRP A 62 17.329 -6.806 2.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.640 -6.683 -2.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 18.419 -4.926 1.638 1.00 0.00 H new ATOM 0 HH2 TRP A 62 18.570 -4.868 -0.814 1.00 0.00 H new ATOM 766 N ILE A 63 13.265 -7.720 2.327 1.00 0.00 N ATOM 767 CA ILE A 63 12.502 -6.774 1.526 1.00 0.00 C ATOM 768 C ILE A 63 13.056 -5.358 1.665 1.00 0.00 C ATOM 769 O ILE A 63 12.931 -4.731 2.716 1.00 0.00 O ATOM 770 CB ILE A 63 11.012 -6.767 1.922 1.00 0.00 C ATOM 771 CG1 ILE A 63 10.427 -8.174 1.817 1.00 0.00 C ATOM 772 CG2 ILE A 63 10.228 -5.796 1.047 1.00 0.00 C ATOM 773 CD1 ILE A 63 9.049 -8.300 2.428 1.00 0.00 C ATOM 0 H ILE A 63 13.594 -7.350 3.219 1.00 0.00 H new ATOM 0 HA ILE A 63 12.594 -7.099 0.490 1.00 0.00 H new ATOM 0 HB ILE A 63 10.933 -6.435 2.957 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.378 -8.461 0.767 1.00 0.00 H new ATOM 0 HG13 ILE A 63 11.100 -8.877 2.309 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.179 -5.806 1.342 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.630 -4.790 1.169 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.314 -6.097 0.003 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.695 -9.325 2.318 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.095 -8.044 3.486 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.363 -7.622 1.920 1.00 0.00 H new ATOM 785 N GLN A 64 13.655 -4.857 0.589 1.00 0.00 N ATOM 786 CA GLN A 64 14.214 -3.511 0.580 1.00 0.00 C ATOM 787 C GLN A 64 13.314 -2.570 -0.214 1.00 0.00 C ATOM 788 O GLN A 64 13.253 -2.644 -1.441 1.00 0.00 O ATOM 789 CB GLN A 64 15.619 -3.516 -0.021 1.00 0.00 C ATOM 790 CG GLN A 64 16.316 -2.167 0.047 1.00 0.00 C ATOM 791 CD GLN A 64 17.826 -2.294 0.096 1.00 0.00 C ATOM 792 OE1 GLN A 64 18.476 -2.521 -0.925 1.00 0.00 O ATOM 793 NE2 GLN A 64 18.394 -2.146 1.288 1.00 0.00 N ATOM 0 H GLN A 64 13.765 -5.364 -0.289 1.00 0.00 H new ATOM 0 HA GLN A 64 14.276 -3.160 1.610 1.00 0.00 H new ATOM 0 HB2 GLN A 64 16.226 -4.256 0.502 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.558 -3.832 -1.062 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.033 -1.572 -0.821 1.00 0.00 H new ATOM 0 HG3 GLN A 64 15.971 -1.628 0.929 1.00 0.00 H new ATOM 0 HE21 GLN A 64 17.817 -1.959 2.108 1.00 0.00 H new ATOM 0 HE22 GLN A 64 19.407 -2.220 1.383 1.00 0.00 H new ATOM 802 N VAL A 65 12.610 -1.693 0.492 1.00 0.00 N ATOM 803 CA VAL A 65 11.706 -0.748 -0.151 1.00 0.00 C ATOM 804 C VAL A 65 12.456 0.473 -0.672 1.00 0.00 C ATOM 805 O VAL A 65 12.793 1.378 0.090 1.00 0.00 O ATOM 806 CB VAL A 65 10.589 -0.283 0.805 1.00 0.00 C ATOM 807 CG1 VAL A 65 9.423 0.296 0.017 1.00 0.00 C ATOM 808 CG2 VAL A 65 10.120 -1.430 1.694 1.00 0.00 C ATOM 0 H VAL A 65 12.648 -1.617 1.508 1.00 0.00 H new ATOM 0 HA VAL A 65 11.254 -1.277 -0.990 1.00 0.00 H new ATOM 0 HB VAL A 65 10.994 0.498 1.449 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.643 0.620 0.706 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.767 1.149 -0.568 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.023 -0.465 -0.653 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.332 -1.076 2.359 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.734 -2.238 1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 65 10.958 -1.797 2.287 1.00 0.00 H new ATOM 818 N HIS A 66 12.709 0.492 -1.978 1.00 0.00 N ATOM 819 CA HIS A 66 13.415 1.603 -2.603 1.00 0.00 C ATOM 820 C HIS A 66 12.606 2.892 -2.503 1.00 0.00 C ATOM 821 O HIS A 66 13.025 3.853 -1.856 1.00 0.00 O ATOM 822 CB HIS A 66 13.709 1.287 -4.071 1.00 0.00 C ATOM 823 CG HIS A 66 14.288 -0.076 -4.284 1.00 0.00 C ATOM 824 ND1 HIS A 66 13.844 -1.124 -5.019 1.00 0.00 N flip ATOM 825 CD2 HIS A 66 15.469 -0.492 -3.704 1.00 0.00 C flip ATOM 826 CE1 HIS A 66 14.756 -2.140 -4.870 1.00 0.00 C flip ATOM 827 NE2 HIS A 66 15.726 -1.734 -4.073 1.00 0.00 N flip ATOM 0 H HIS A 66 12.435 -0.250 -2.622 1.00 0.00 H new ATOM 0 HA HIS A 66 14.356 1.745 -2.071 1.00 0.00 H new ATOM 0 HB2 HIS A 66 12.787 1.375 -4.645 1.00 0.00 H new ATOM 0 HB3 HIS A 66 14.401 2.032 -4.463 1.00 0.00 H new ATOM 0 HD2 HIS A 66 16.087 0.105 -3.050 1.00 0.00 H new ATOM 0 HE1 HIS A 66 14.690 -3.114 -5.331 1.00 0.00 H new ATOM 0 HE2 HIS A 66 16.536 -2.285 -3.790 1.00 0.00 H new ATOM 836 N ARG A 67 11.444 2.902 -3.146 1.00 0.00 N ATOM 837 CA ARG A 67 10.568 4.070 -3.135 1.00 0.00 C ATOM 838 C ARG A 67 9.300 3.799 -3.937 1.00 0.00 C ATOM 839 O ARG A 67 9.099 2.692 -4.439 1.00 0.00 O ATOM 840 CB ARG A 67 11.297 5.288 -3.707 1.00 0.00 C ATOM 841 CG ARG A 67 11.948 5.029 -5.058 1.00 0.00 C ATOM 842 CD ARG A 67 11.428 5.985 -6.121 1.00 0.00 C ATOM 843 NE ARG A 67 12.348 7.095 -6.356 1.00 0.00 N ATOM 844 CZ ARG A 67 13.457 6.998 -7.085 1.00 0.00 C ATOM 845 NH1 ARG A 67 13.787 5.845 -7.654 1.00 0.00 N ATOM 846 NH2 ARG A 67 14.239 8.057 -7.247 1.00 0.00 N ATOM 0 H ARG A 67 11.085 2.113 -3.683 1.00 0.00 H new ATOM 0 HA ARG A 67 10.289 4.277 -2.102 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.589 6.111 -3.806 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.062 5.608 -3.000 1.00 0.00 H new ATOM 0 HG2 ARG A 67 13.029 5.136 -4.968 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.754 4.001 -5.365 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.271 5.441 -7.052 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.458 6.377 -5.813 1.00 0.00 H new ATOM 0 HE ARG A 67 12.127 7.998 -5.936 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.189 5.027 -7.534 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.638 5.777 -8.212 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.990 8.946 -6.813 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.089 7.983 -7.806 1.00 0.00 H new ATOM 860 N LEU A 68 8.445 4.810 -4.056 1.00 0.00 N ATOM 861 CA LEU A 68 7.197 4.665 -4.802 1.00 0.00 C ATOM 862 C LEU A 68 7.054 5.768 -5.847 1.00 0.00 C ATOM 863 O LEU A 68 7.621 6.850 -5.704 1.00 0.00 O ATOM 864 CB LEU A 68 5.992 4.680 -3.854 1.00 0.00 C ATOM 865 CG LEU A 68 6.303 4.355 -2.390 1.00 0.00 C ATOM 866 CD1 LEU A 68 5.153 4.783 -1.492 1.00 0.00 C ATOM 867 CD2 LEU A 68 6.586 2.870 -2.226 1.00 0.00 C ATOM 0 H LEU A 68 8.591 5.734 -3.649 1.00 0.00 H new ATOM 0 HA LEU A 68 7.226 3.704 -5.315 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.528 5.665 -3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.255 3.964 -4.219 1.00 0.00 H new ATOM 0 HG LEU A 68 7.193 4.911 -2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.392 4.544 -0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.995 5.857 -1.590 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.246 4.255 -1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.805 2.655 -1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.714 2.297 -2.539 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.442 2.593 -2.841 1.00 0.00 H new ATOM 879 N GLU A 69 6.294 5.481 -6.900 1.00 0.00 N ATOM 880 CA GLU A 69 6.075 6.443 -7.974 1.00 0.00 C ATOM 881 C GLU A 69 4.604 6.471 -8.384 1.00 0.00 C ATOM 882 O GLU A 69 3.917 5.452 -8.336 1.00 0.00 O ATOM 883 CB GLU A 69 6.950 6.097 -9.181 1.00 0.00 C ATOM 884 CG GLU A 69 6.689 6.971 -10.399 1.00 0.00 C ATOM 885 CD GLU A 69 7.729 6.783 -11.487 1.00 0.00 C ATOM 886 OE1 GLU A 69 8.920 7.044 -11.219 1.00 0.00 O ATOM 887 OE2 GLU A 69 7.350 6.374 -12.604 1.00 0.00 O ATOM 0 H GLU A 69 5.819 4.588 -7.032 1.00 0.00 H new ATOM 0 HA GLU A 69 6.350 7.432 -7.608 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.998 6.190 -8.897 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.784 5.054 -9.451 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.702 6.741 -10.801 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.673 8.017 -10.094 1.00 0.00 H new ATOM 894 N HIS A 70 4.130 7.645 -8.787 1.00 0.00 N ATOM 895 CA HIS A 70 2.741 7.805 -9.206 1.00 0.00 C ATOM 896 C HIS A 70 2.500 7.132 -10.555 1.00 0.00 C ATOM 897 O HIS A 70 1.505 6.435 -10.744 1.00 0.00 O ATOM 898 CB HIS A 70 2.379 9.288 -9.290 1.00 0.00 C ATOM 899 CG HIS A 70 1.730 9.816 -8.049 1.00 0.00 C ATOM 900 ND1 HIS A 70 0.409 9.578 -7.731 1.00 0.00 N ATOM 901 CD2 HIS A 70 2.226 10.573 -7.043 1.00 0.00 C ATOM 902 CE1 HIS A 70 0.121 10.168 -6.585 1.00 0.00 C ATOM 903 NE2 HIS A 70 1.207 10.777 -6.146 1.00 0.00 N ATOM 0 H HIS A 70 4.686 8.499 -8.833 1.00 0.00 H new ATOM 0 HA HIS A 70 2.105 7.326 -8.462 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.283 9.863 -9.491 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.708 9.443 -10.135 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -0.244 9.032 -8.293 1.00 0.00 H new ATOM 0 HD2 HIS A 70 3.236 10.947 -6.961 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.839 10.155 -6.091 1.00 0.00 H new ATOM 0 HE2 HIS A 70 1.277 11.312 -5.281 1.00 0.00 H new ATOM 912 N GLY A 71 3.421 7.349 -11.490 1.00 0.00 N ATOM 913 CA GLY A 71 3.292 6.759 -12.808 1.00 0.00 C ATOM 914 C GLY A 71 3.868 7.643 -13.897 1.00 0.00 C ATOM 915 O GLY A 71 4.992 7.428 -14.351 1.00 0.00 O ATOM 0 H GLY A 71 4.254 7.923 -11.357 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.798 5.794 -12.822 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.239 6.570 -13.017 1.00 0.00 H new ATOM 919 N ASP A 72 3.096 8.639 -14.317 1.00 0.00 N ATOM 920 CA ASP A 72 3.533 9.559 -15.358 1.00 0.00 C ATOM 921 C ASP A 72 3.951 10.899 -14.759 1.00 0.00 C ATOM 922 O ASP A 72 3.802 11.945 -15.390 1.00 0.00 O ATOM 923 CB ASP A 72 2.419 9.771 -16.384 1.00 0.00 C ATOM 924 CG ASP A 72 2.265 8.589 -17.322 1.00 0.00 C ATOM 925 OD1 ASP A 72 1.613 7.600 -16.928 1.00 0.00 O ATOM 926 OD2 ASP A 72 2.798 8.653 -18.451 1.00 0.00 O ATOM 0 H ASP A 72 2.163 8.829 -13.951 1.00 0.00 H new ATOM 0 HA ASP A 72 4.396 9.119 -15.857 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.477 9.943 -15.863 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.630 10.668 -16.966 1.00 0.00 H new ATOM 931 N GLY A 73 4.473 10.857 -13.539 1.00 0.00 N ATOM 932 CA GLY A 73 4.905 12.073 -12.874 1.00 0.00 C ATOM 933 C GLY A 73 4.433 12.149 -11.436 1.00 0.00 C ATOM 934 O GLY A 73 3.236 12.275 -11.174 1.00 0.00 O ATOM 0 H GLY A 73 4.605 10.003 -12.998 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.993 12.130 -12.899 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.528 12.936 -13.422 1.00 0.00 H new ATOM 938 N GLY A 74 5.375 12.071 -10.502 1.00 0.00 N ATOM 939 CA GLY A 74 5.029 12.134 -9.093 1.00 0.00 C ATOM 940 C GLY A 74 5.700 11.040 -8.282 1.00 0.00 C ATOM 941 O GLY A 74 5.100 9.999 -8.018 1.00 0.00 O ATOM 0 H GLY A 74 6.371 11.965 -10.695 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.317 13.107 -8.694 1.00 0.00 H new ATOM 0 HA3 GLY A 74 3.948 12.052 -8.983 1.00 0.00 H new ATOM 945 N ILE A 75 6.947 11.279 -7.889 1.00 0.00 N ATOM 946 CA ILE A 75 7.700 10.309 -7.106 1.00 0.00 C ATOM 947 C ILE A 75 7.346 10.400 -5.624 1.00 0.00 C ATOM 948 O ILE A 75 6.866 11.431 -5.153 1.00 0.00 O ATOM 949 CB ILE A 75 9.215 10.500 -7.285 1.00 0.00 C ATOM 950 CG1 ILE A 75 9.610 10.279 -8.746 1.00 0.00 C ATOM 951 CG2 ILE A 75 9.991 9.551 -6.378 1.00 0.00 C ATOM 952 CD1 ILE A 75 8.751 9.273 -9.486 1.00 0.00 C ATOM 0 H ILE A 75 7.457 12.137 -8.101 1.00 0.00 H new ATOM 0 HA ILE A 75 7.425 9.321 -7.474 1.00 0.00 H new ATOM 0 HB ILE A 75 9.466 11.523 -7.005 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.562 11.233 -9.270 1.00 0.00 H new ATOM 0 HG13 ILE A 75 10.648 9.947 -8.782 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.061 9.704 -6.522 1.00 0.00 H new ATOM 0 HG22 ILE A 75 9.733 9.749 -5.338 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.735 8.521 -6.625 1.00 0.00 H new ATOM 0 HD11 ILE A 75 9.103 9.180 -10.513 1.00 0.00 H new ATOM 0 HD12 ILE A 75 8.817 8.304 -8.991 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.714 9.610 -9.487 1.00 0.00 H new ATOM 964 N LEU A 76 7.588 9.315 -4.897 1.00 0.00 N ATOM 965 CA LEU A 76 7.299 9.271 -3.469 1.00 0.00 C ATOM 966 C LEU A 76 8.536 8.857 -2.680 1.00 0.00 C ATOM 967 O LEU A 76 9.016 7.728 -2.804 1.00 0.00 O ATOM 968 CB LEU A 76 6.153 8.299 -3.188 1.00 0.00 C ATOM 969 CG LEU A 76 4.789 8.727 -3.740 1.00 0.00 C ATOM 970 CD1 LEU A 76 4.321 7.766 -4.821 1.00 0.00 C ATOM 971 CD2 LEU A 76 3.761 8.815 -2.621 1.00 0.00 C ATOM 0 H LEU A 76 7.984 8.454 -5.274 1.00 0.00 H new ATOM 0 HA LEU A 76 7.003 10.271 -3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.410 7.327 -3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.066 8.166 -2.110 1.00 0.00 H new ATOM 0 HG LEU A 76 4.897 9.716 -4.185 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.351 8.088 -5.199 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.044 7.756 -5.637 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.233 6.763 -4.403 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.799 9.120 -3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.658 7.840 -2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.088 9.547 -1.883 1.00 0.00 H new ATOM 983 N ASP A 77 9.047 9.780 -1.868 1.00 0.00 N ATOM 984 CA ASP A 77 10.230 9.517 -1.056 1.00 0.00 C ATOM 985 C ASP A 77 9.837 9.143 0.370 1.00 0.00 C ATOM 986 O ASP A 77 8.682 8.812 0.638 1.00 0.00 O ATOM 987 CB ASP A 77 11.145 10.743 -1.047 1.00 0.00 C ATOM 988 CG ASP A 77 12.612 10.371 -1.140 1.00 0.00 C ATOM 989 OD1 ASP A 77 12.936 9.407 -1.867 1.00 0.00 O ATOM 990 OD2 ASP A 77 13.438 11.042 -0.488 1.00 0.00 O ATOM 0 H ASP A 77 8.659 10.717 -1.756 1.00 0.00 H new ATOM 0 HA ASP A 77 10.767 8.676 -1.494 1.00 0.00 H new ATOM 0 HB2 ASP A 77 10.884 11.393 -1.882 1.00 0.00 H new ATOM 0 HB3 ASP A 77 10.975 11.313 -0.134 1.00 0.00 H new ATOM 995 N LEU A 78 10.804 9.194 1.281 1.00 0.00 N ATOM 996 CA LEU A 78 10.557 8.857 2.678 1.00 0.00 C ATOM 997 C LEU A 78 10.690 10.090 3.569 1.00 0.00 C ATOM 998 O LEU A 78 11.354 10.051 4.605 1.00 0.00 O ATOM 999 CB LEU A 78 11.533 7.773 3.139 1.00 0.00 C ATOM 1000 CG LEU A 78 11.755 6.633 2.142 1.00 0.00 C ATOM 1001 CD1 LEU A 78 13.166 6.078 2.271 1.00 0.00 C ATOM 1002 CD2 LEU A 78 10.725 5.535 2.353 1.00 0.00 C ATOM 0 H LEU A 78 11.766 9.465 1.076 1.00 0.00 H new ATOM 0 HA LEU A 78 9.537 8.481 2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.494 8.239 3.354 1.00 0.00 H new ATOM 0 HB3 LEU A 78 11.167 7.351 4.075 1.00 0.00 H new ATOM 0 HG LEU A 78 11.634 7.028 1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 78 13.305 5.268 1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 78 13.888 6.869 2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 78 13.317 5.698 3.281 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.897 4.732 1.636 1.00 0.00 H new ATOM 0 HD22 LEU A 78 10.814 5.142 3.366 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.724 5.942 2.209 1.00 0.00 H new ATOM 1014 N ASP A 79 10.052 11.185 3.162 1.00 0.00 N ATOM 1015 CA ASP A 79 10.103 12.424 3.929 1.00 0.00 C ATOM 1016 C ASP A 79 9.017 13.397 3.480 1.00 0.00 C ATOM 1017 O ASP A 79 9.193 14.614 3.553 1.00 0.00 O ATOM 1018 CB ASP A 79 11.481 13.076 3.790 1.00 0.00 C ATOM 1019 CG ASP A 79 12.423 12.678 4.909 1.00 0.00 C ATOM 1020 OD1 ASP A 79 12.053 12.853 6.089 1.00 0.00 O ATOM 1021 OD2 ASP A 79 13.532 12.189 4.606 1.00 0.00 O ATOM 0 H ASP A 79 9.496 11.238 2.308 1.00 0.00 H new ATOM 0 HA ASP A 79 9.927 12.178 4.976 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.919 12.794 2.832 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.368 14.160 3.782 1.00 0.00 H new ATOM 1026 N ASP A 80 7.893 12.857 3.018 1.00 0.00 N ATOM 1027 CA ASP A 80 6.780 13.684 2.562 1.00 0.00 C ATOM 1028 C ASP A 80 5.457 13.178 3.131 1.00 0.00 C ATOM 1029 O ASP A 80 5.197 11.978 3.149 1.00 0.00 O ATOM 1030 CB ASP A 80 6.721 13.698 1.033 1.00 0.00 C ATOM 1031 CG ASP A 80 5.729 14.715 0.503 1.00 0.00 C ATOM 1032 OD1 ASP A 80 4.511 14.446 0.566 1.00 0.00 O ATOM 1033 OD2 ASP A 80 6.171 15.781 0.024 1.00 0.00 O ATOM 0 H ASP A 80 7.729 11.853 2.949 1.00 0.00 H new ATOM 0 HA ASP A 80 6.943 14.700 2.921 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.712 13.919 0.636 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.448 12.706 0.673 1.00 0.00 H new ATOM 1038 N ILE A 81 4.624 14.104 3.598 1.00 0.00 N ATOM 1039 CA ILE A 81 3.332 13.749 4.167 1.00 0.00 C ATOM 1040 C ILE A 81 2.437 13.070 3.138 1.00 0.00 C ATOM 1041 O ILE A 81 2.635 13.211 1.931 1.00 0.00 O ATOM 1042 CB ILE A 81 2.627 14.994 4.736 1.00 0.00 C ATOM 1043 CG1 ILE A 81 3.402 15.499 5.946 1.00 0.00 C ATOM 1044 CG2 ILE A 81 1.183 14.685 5.117 1.00 0.00 C ATOM 1045 CD1 ILE A 81 3.373 14.534 7.110 1.00 0.00 C ATOM 0 H ILE A 81 4.822 15.104 3.593 1.00 0.00 H new ATOM 0 HA ILE A 81 3.516 13.043 4.977 1.00 0.00 H new ATOM 0 HB ILE A 81 2.604 15.767 3.968 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.437 15.681 5.658 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.987 16.455 6.263 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.712 15.583 5.516 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.638 14.350 4.235 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.166 13.900 5.873 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.942 14.950 7.941 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.341 14.371 7.422 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.815 13.585 6.807 1.00 0.00 H new ATOM 1057 N LEU A 82 1.452 12.326 3.630 1.00 0.00 N ATOM 1058 CA LEU A 82 0.524 11.613 2.766 1.00 0.00 C ATOM 1059 C LEU A 82 -0.177 12.564 1.799 1.00 0.00 C ATOM 1060 O LEU A 82 -0.050 12.431 0.582 1.00 0.00 O ATOM 1061 CB LEU A 82 -0.514 10.864 3.606 1.00 0.00 C ATOM 1062 CG LEU A 82 -0.844 9.451 3.120 1.00 0.00 C ATOM 1063 CD1 LEU A 82 -1.420 9.487 1.712 1.00 0.00 C ATOM 1064 CD2 LEU A 82 0.395 8.566 3.173 1.00 0.00 C ATOM 0 H LEU A 82 1.277 12.202 4.627 1.00 0.00 H new ATOM 0 HA LEU A 82 1.098 10.895 2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.153 10.803 4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.434 11.449 3.626 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.597 9.027 3.784 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.648 8.472 1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.333 10.083 1.707 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.693 9.932 1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.142 7.565 2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.171 8.988 2.534 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.759 8.511 4.199 1.00 0.00 H new ATOM 1076 N CYS A 83 -0.919 13.520 2.348 1.00 0.00 N ATOM 1077 CA CYS A 83 -1.645 14.490 1.533 1.00 0.00 C ATOM 1078 C CYS A 83 -0.689 15.405 0.767 1.00 0.00 C ATOM 1079 O CYS A 83 -1.100 16.103 -0.159 1.00 0.00 O ATOM 1080 CB CYS A 83 -2.572 15.329 2.415 1.00 0.00 C ATOM 1081 SG CYS A 83 -4.091 15.861 1.591 1.00 0.00 S ATOM 0 H CYS A 83 -1.034 13.645 3.354 1.00 0.00 H new ATOM 0 HA CYS A 83 -2.238 13.936 0.805 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -2.835 14.751 3.301 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -2.030 16.210 2.759 1.00 0.00 H new ATOM 0 HG CYS A 83 -4.810 16.562 2.417 1.00 0.00 H new ATOM 1087 N ASP A 84 0.581 15.403 1.157 1.00 0.00 N ATOM 1088 CA ASP A 84 1.581 16.240 0.505 1.00 0.00 C ATOM 1089 C ASP A 84 2.031 15.636 -0.823 1.00 0.00 C ATOM 1090 O ASP A 84 2.300 16.358 -1.782 1.00 0.00 O ATOM 1091 CB ASP A 84 2.789 16.436 1.421 1.00 0.00 C ATOM 1092 CG ASP A 84 2.633 17.635 2.336 1.00 0.00 C ATOM 1093 OD1 ASP A 84 1.680 17.645 3.144 1.00 0.00 O ATOM 1094 OD2 ASP A 84 3.463 18.565 2.243 1.00 0.00 O ATOM 0 H ASP A 84 0.942 14.831 1.921 1.00 0.00 H new ATOM 0 HA ASP A 84 1.122 17.208 0.302 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.934 15.539 2.023 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.686 16.560 0.814 1.00 0.00 H new ATOM 1099 N VAL A 85 2.118 14.309 -0.871 1.00 0.00 N ATOM 1100 CA VAL A 85 2.546 13.619 -2.084 1.00 0.00 C ATOM 1101 C VAL A 85 1.427 12.764 -2.669 1.00 0.00 C ATOM 1102 O VAL A 85 1.195 12.770 -3.878 1.00 0.00 O ATOM 1103 CB VAL A 85 3.776 12.728 -1.818 1.00 0.00 C ATOM 1104 CG1 VAL A 85 3.442 11.635 -0.815 1.00 0.00 C ATOM 1105 CG2 VAL A 85 4.298 12.129 -3.117 1.00 0.00 C ATOM 0 H VAL A 85 1.899 13.693 -0.088 1.00 0.00 H new ATOM 0 HA VAL A 85 2.812 14.393 -2.804 1.00 0.00 H new ATOM 0 HB VAL A 85 4.562 13.351 -1.391 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.324 11.018 -0.642 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.126 12.088 0.125 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.637 11.014 -1.208 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.166 11.504 -2.907 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.518 11.523 -3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.585 12.930 -3.798 1.00 0.00 H new ATOM 1115 N ALA A 86 0.738 12.026 -1.807 1.00 0.00 N ATOM 1116 CA ALA A 86 -0.351 11.161 -2.240 1.00 0.00 C ATOM 1117 C ALA A 86 -1.661 11.935 -2.346 1.00 0.00 C ATOM 1118 O ALA A 86 -1.734 13.107 -1.978 1.00 0.00 O ATOM 1119 CB ALA A 86 -0.505 9.990 -1.282 1.00 0.00 C ATOM 0 H ALA A 86 0.915 12.010 -0.803 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.106 10.778 -3.231 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.322 9.351 -1.617 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.420 9.414 -1.260 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.724 10.364 -0.282 1.00 0.00 H new ATOM 1125 N ASP A 87 -2.694 11.267 -2.851 1.00 0.00 N ATOM 1126 CA ASP A 87 -4.004 11.888 -3.006 1.00 0.00 C ATOM 1127 C ASP A 87 -5.117 10.875 -2.747 1.00 0.00 C ATOM 1128 O ASP A 87 -4.923 9.672 -2.911 1.00 0.00 O ATOM 1129 CB ASP A 87 -4.151 12.477 -4.409 1.00 0.00 C ATOM 1130 CG ASP A 87 -4.860 13.817 -4.404 1.00 0.00 C ATOM 1131 OD1 ASP A 87 -5.908 13.930 -3.734 1.00 0.00 O ATOM 1132 OD2 ASP A 87 -4.369 14.751 -5.071 1.00 0.00 O ATOM 0 H ASP A 87 -2.649 10.296 -3.160 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.088 12.691 -2.274 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.164 12.593 -4.856 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.705 11.779 -5.037 1.00 0.00 H new ATOM 1137 N ASP A 88 -6.279 11.373 -2.340 1.00 0.00 N ATOM 1138 CA ASP A 88 -7.423 10.510 -2.057 1.00 0.00 C ATOM 1139 C ASP A 88 -7.751 9.627 -3.257 1.00 0.00 C ATOM 1140 O ASP A 88 -7.999 10.123 -4.357 1.00 0.00 O ATOM 1141 CB ASP A 88 -8.644 11.355 -1.682 1.00 0.00 C ATOM 1142 CG ASP A 88 -8.559 11.894 -0.267 1.00 0.00 C ATOM 1143 OD1 ASP A 88 -8.800 11.117 0.679 1.00 0.00 O ATOM 1144 OD2 ASP A 88 -8.251 13.094 -0.108 1.00 0.00 O ATOM 0 H ASP A 88 -6.455 12.368 -2.198 1.00 0.00 H new ATOM 0 HA ASP A 88 -7.161 9.866 -1.217 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.736 12.187 -2.380 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.546 10.752 -1.785 1.00 0.00 H new ATOM 1149 N LYS A 89 -7.751 8.316 -3.037 1.00 0.00 N ATOM 1150 CA LYS A 89 -8.049 7.364 -4.101 1.00 0.00 C ATOM 1151 C LYS A 89 -7.046 7.495 -5.242 1.00 0.00 C ATOM 1152 O LYS A 89 -7.377 7.983 -6.322 1.00 0.00 O ATOM 1153 CB LYS A 89 -9.470 7.580 -4.625 1.00 0.00 C ATOM 1154 CG LYS A 89 -10.551 7.130 -3.654 1.00 0.00 C ATOM 1155 CD LYS A 89 -11.260 5.879 -4.148 1.00 0.00 C ATOM 1156 CE LYS A 89 -12.556 6.218 -4.866 1.00 0.00 C ATOM 1157 NZ LYS A 89 -12.710 5.445 -6.130 1.00 0.00 N ATOM 0 H LYS A 89 -7.548 7.889 -2.133 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.973 6.358 -3.688 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.610 8.638 -4.847 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.588 7.039 -5.564 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.106 6.936 -2.678 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -11.277 7.932 -3.520 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.603 5.330 -4.822 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.472 5.223 -3.304 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.400 6.010 -4.208 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.580 7.285 -5.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.606 5.705 -6.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -11.918 5.662 -6.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.713 4.427 -5.916 1.00 0.00 H new ATOM 1171 N ASP A 90 -5.814 7.055 -4.996 1.00 0.00 N ATOM 1172 CA ASP A 90 -4.762 7.124 -6.003 1.00 0.00 C ATOM 1173 C ASP A 90 -4.175 5.742 -6.275 1.00 0.00 C ATOM 1174 O ASP A 90 -4.509 4.771 -5.596 1.00 0.00 O ATOM 1175 CB ASP A 90 -3.656 8.080 -5.549 1.00 0.00 C ATOM 1176 CG ASP A 90 -2.976 8.772 -6.714 1.00 0.00 C ATOM 1177 OD1 ASP A 90 -3.444 9.860 -7.114 1.00 0.00 O ATOM 1178 OD2 ASP A 90 -1.976 8.227 -7.228 1.00 0.00 O ATOM 0 H ASP A 90 -5.521 6.647 -4.108 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.202 7.499 -6.927 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.079 8.830 -4.881 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -2.913 7.526 -4.975 1.00 0.00 H new ATOM 1183 N ARG A 91 -3.298 5.663 -7.271 1.00 0.00 N ATOM 1184 CA ARG A 91 -2.662 4.401 -7.633 1.00 0.00 C ATOM 1185 C ARG A 91 -1.163 4.588 -7.844 1.00 0.00 C ATOM 1186 O ARG A 91 -0.724 5.021 -8.909 1.00 0.00 O ATOM 1187 CB ARG A 91 -3.300 3.830 -8.901 1.00 0.00 C ATOM 1188 CG ARG A 91 -4.462 2.887 -8.628 1.00 0.00 C ATOM 1189 CD ARG A 91 -5.479 2.912 -9.757 1.00 0.00 C ATOM 1190 NE ARG A 91 -6.722 3.571 -9.359 1.00 0.00 N ATOM 1191 CZ ARG A 91 -7.758 3.752 -10.174 1.00 0.00 C ATOM 1192 NH1 ARG A 91 -7.706 3.330 -11.430 1.00 0.00 N ATOM 1193 NH2 ARG A 91 -8.851 4.359 -9.731 1.00 0.00 N ATOM 0 H ARG A 91 -3.012 6.458 -7.842 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.810 3.699 -6.812 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.650 4.653 -9.524 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.539 3.299 -9.473 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.085 1.872 -8.499 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.948 3.168 -7.694 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.054 3.429 -10.617 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.695 1.892 -10.073 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.799 3.912 -8.401 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.868 2.863 -11.777 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.504 3.472 -12.049 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -8.897 4.687 -8.766 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -9.646 4.498 -10.355 1.00 0.00 H new ATOM 1207 N LEU A 92 -0.382 4.260 -6.818 1.00 0.00 N ATOM 1208 CA LEU A 92 1.069 4.394 -6.890 1.00 0.00 C ATOM 1209 C LEU A 92 1.731 3.042 -7.138 1.00 0.00 C ATOM 1210 O LEU A 92 1.085 1.998 -7.052 1.00 0.00 O ATOM 1211 CB LEU A 92 1.612 5.008 -5.597 1.00 0.00 C ATOM 1212 CG LEU A 92 0.733 6.092 -4.973 1.00 0.00 C ATOM 1213 CD1 LEU A 92 1.071 6.271 -3.501 1.00 0.00 C ATOM 1214 CD2 LEU A 92 0.897 7.407 -5.721 1.00 0.00 C ATOM 0 H LEU A 92 -0.729 3.900 -5.929 1.00 0.00 H new ATOM 0 HA LEU A 92 1.304 5.053 -7.726 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.753 4.211 -4.866 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.595 5.432 -5.800 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.308 5.778 -5.051 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.436 7.047 -3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.904 5.332 -2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.116 6.562 -3.401 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.264 8.167 -5.263 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.938 7.725 -5.674 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.606 7.272 -6.763 1.00 0.00 H new ATOM 1226 N VAL A 93 3.024 3.070 -7.444 1.00 0.00 N ATOM 1227 CA VAL A 93 3.780 1.850 -7.702 1.00 0.00 C ATOM 1228 C VAL A 93 4.926 1.701 -6.707 1.00 0.00 C ATOM 1229 O VAL A 93 5.792 2.570 -6.611 1.00 0.00 O ATOM 1230 CB VAL A 93 4.349 1.830 -9.133 1.00 0.00 C ATOM 1231 CG1 VAL A 93 4.998 0.487 -9.433 1.00 0.00 C ATOM 1232 CG2 VAL A 93 3.259 2.141 -10.148 1.00 0.00 C ATOM 0 H VAL A 93 3.572 3.927 -7.519 1.00 0.00 H new ATOM 0 HA VAL A 93 3.088 1.016 -7.587 1.00 0.00 H new ATOM 0 HB VAL A 93 5.114 2.602 -9.208 1.00 0.00 H new ATOM 0 HG11 VAL A 93 5.394 0.493 -10.449 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.810 0.310 -8.728 1.00 0.00 H new ATOM 0 HG13 VAL A 93 4.256 -0.305 -9.338 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.681 2.122 -11.153 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.468 1.395 -10.073 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.846 3.129 -9.947 1.00 0.00 H new ATOM 1242 N ALA A 94 4.921 0.600 -5.964 1.00 0.00 N ATOM 1243 CA ALA A 94 5.960 0.344 -4.972 1.00 0.00 C ATOM 1244 C ALA A 94 7.126 -0.436 -5.570 1.00 0.00 C ATOM 1245 O ALA A 94 6.963 -1.573 -6.019 1.00 0.00 O ATOM 1246 CB ALA A 94 5.378 -0.405 -3.783 1.00 0.00 C ATOM 0 H ALA A 94 4.210 -0.129 -6.029 1.00 0.00 H new ATOM 0 HA ALA A 94 6.344 1.307 -4.635 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.163 -0.590 -3.050 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.589 0.193 -3.327 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.964 -1.356 -4.119 1.00 0.00 H new ATOM 1252 N VAL A 95 8.303 0.183 -5.562 1.00 0.00 N ATOM 1253 CA VAL A 95 9.507 -0.447 -6.091 1.00 0.00 C ATOM 1254 C VAL A 95 10.422 -0.891 -4.956 1.00 0.00 C ATOM 1255 O VAL A 95 11.009 -0.064 -4.255 1.00 0.00 O ATOM 1256 CB VAL A 95 10.281 0.507 -7.020 1.00 0.00 C ATOM 1257 CG1 VAL A 95 11.426 -0.224 -7.704 1.00 0.00 C ATOM 1258 CG2 VAL A 95 9.346 1.129 -8.046 1.00 0.00 C ATOM 0 H VAL A 95 8.448 1.123 -5.194 1.00 0.00 H new ATOM 0 HA VAL A 95 9.190 -1.316 -6.668 1.00 0.00 H new ATOM 0 HB VAL A 95 10.704 1.309 -6.415 1.00 0.00 H new ATOM 0 HG11 VAL A 95 11.961 0.467 -8.356 1.00 0.00 H new ATOM 0 HG12 VAL A 95 12.110 -0.615 -6.951 1.00 0.00 H new ATOM 0 HG13 VAL A 95 11.029 -1.048 -8.296 1.00 0.00 H new ATOM 0 HG21 VAL A 95 9.911 1.800 -8.693 1.00 0.00 H new ATOM 0 HG22 VAL A 95 8.891 0.342 -8.648 1.00 0.00 H new ATOM 0 HG23 VAL A 95 8.566 1.691 -7.533 1.00 0.00 H new ATOM 1268 N PHE A 96 10.532 -2.200 -4.768 1.00 0.00 N ATOM 1269 CA PHE A 96 11.367 -2.748 -3.707 1.00 0.00 C ATOM 1270 C PHE A 96 12.068 -4.025 -4.155 1.00 0.00 C ATOM 1271 O PHE A 96 11.902 -4.476 -5.288 1.00 0.00 O ATOM 1272 CB PHE A 96 10.512 -3.040 -2.473 1.00 0.00 C ATOM 1273 CG PHE A 96 9.477 -4.102 -2.703 1.00 0.00 C ATOM 1274 CD1 PHE A 96 8.288 -3.799 -3.342 1.00 0.00 C ATOM 1275 CD2 PHE A 96 9.698 -5.406 -2.287 1.00 0.00 C ATOM 1276 CE1 PHE A 96 7.338 -4.775 -3.563 1.00 0.00 C ATOM 1277 CE2 PHE A 96 8.750 -6.386 -2.505 1.00 0.00 C ATOM 1278 CZ PHE A 96 7.568 -6.070 -3.143 1.00 0.00 C ATOM 0 H PHE A 96 10.055 -2.901 -5.335 1.00 0.00 H new ATOM 0 HA PHE A 96 12.129 -2.008 -3.463 1.00 0.00 H new ATOM 0 HB2 PHE A 96 11.162 -3.348 -1.654 1.00 0.00 H new ATOM 0 HB3 PHE A 96 10.016 -2.122 -2.158 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.101 -2.788 -3.671 1.00 0.00 H new ATOM 0 HD2 PHE A 96 10.622 -5.658 -1.787 1.00 0.00 H new ATOM 0 HE1 PHE A 96 6.414 -4.526 -4.065 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.933 -7.398 -2.177 1.00 0.00 H new ATOM 0 HZ PHE A 96 6.824 -6.834 -3.314 1.00 0.00 H new ATOM 1288 N ASP A 97 12.842 -4.607 -3.247 1.00 0.00 N ATOM 1289 CA ASP A 97 13.564 -5.842 -3.527 1.00 0.00 C ATOM 1290 C ASP A 97 13.037 -6.964 -2.641 1.00 0.00 C ATOM 1291 O ASP A 97 12.530 -6.713 -1.551 1.00 0.00 O ATOM 1292 CB ASP A 97 15.063 -5.646 -3.288 1.00 0.00 C ATOM 1293 CG ASP A 97 15.865 -5.690 -4.574 1.00 0.00 C ATOM 1294 OD1 ASP A 97 16.143 -6.805 -5.062 1.00 0.00 O ATOM 1295 OD2 ASP A 97 16.212 -4.610 -5.095 1.00 0.00 O ATOM 0 H ASP A 97 12.986 -4.241 -2.306 1.00 0.00 H new ATOM 0 HA ASP A 97 13.409 -6.111 -4.572 1.00 0.00 H new ATOM 0 HB2 ASP A 97 15.227 -4.689 -2.794 1.00 0.00 H new ATOM 0 HB3 ASP A 97 15.424 -6.420 -2.611 1.00 0.00 H new ATOM 1300 N GLU A 98 13.152 -8.201 -3.112 1.00 0.00 N ATOM 1301 CA GLU A 98 12.676 -9.347 -2.346 1.00 0.00 C ATOM 1302 C GLU A 98 13.492 -10.595 -2.659 1.00 0.00 C ATOM 1303 O GLU A 98 13.751 -10.902 -3.822 1.00 0.00 O ATOM 1304 CB GLU A 98 11.197 -9.602 -2.642 1.00 0.00 C ATOM 1305 CG GLU A 98 10.905 -9.842 -4.115 1.00 0.00 C ATOM 1306 CD GLU A 98 10.775 -11.314 -4.451 1.00 0.00 C ATOM 1307 OE1 GLU A 98 10.339 -12.088 -3.574 1.00 0.00 O ATOM 1308 OE2 GLU A 98 11.109 -11.694 -5.594 1.00 0.00 O ATOM 0 H GLU A 98 13.567 -8.435 -4.014 1.00 0.00 H new ATOM 0 HA GLU A 98 12.796 -9.118 -1.287 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.864 -10.467 -2.068 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.614 -8.748 -2.299 1.00 0.00 H new ATOM 0 HG2 GLU A 98 9.983 -9.328 -4.387 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.703 -9.405 -4.716 1.00 0.00 H new ATOM 1315 N GLN A 99 13.887 -11.320 -1.614 1.00 0.00 N ATOM 1316 CA GLN A 99 14.666 -12.541 -1.792 1.00 0.00 C ATOM 1317 C GLN A 99 13.769 -13.772 -1.695 1.00 0.00 C ATOM 1318 O GLN A 99 13.857 -14.546 -0.741 1.00 0.00 O ATOM 1319 CB GLN A 99 15.795 -12.628 -0.760 1.00 0.00 C ATOM 1320 CG GLN A 99 16.577 -13.932 -0.808 1.00 0.00 C ATOM 1321 CD GLN A 99 16.796 -14.533 0.567 1.00 0.00 C ATOM 1322 OE1 GLN A 99 17.183 -13.836 1.506 1.00 0.00 O ATOM 1323 NE2 GLN A 99 16.550 -15.831 0.692 1.00 0.00 N ATOM 0 H GLN A 99 13.682 -11.085 -0.643 1.00 0.00 H new ATOM 0 HA GLN A 99 15.111 -12.510 -2.786 1.00 0.00 H new ATOM 0 HB2 GLN A 99 16.483 -11.797 -0.918 1.00 0.00 H new ATOM 0 HB3 GLN A 99 15.372 -12.506 0.237 1.00 0.00 H new ATOM 0 HG2 GLN A 99 16.043 -14.648 -1.433 1.00 0.00 H new ATOM 0 HG3 GLN A 99 17.543 -13.755 -1.281 1.00 0.00 H new ATOM 0 HE21 GLN A 99 16.231 -16.369 -0.113 1.00 0.00 H new ATOM 0 HE22 GLN A 99 16.680 -16.290 1.593 1.00 0.00 H new ATOM 1332 N ASP A 100 12.906 -13.946 -2.689 1.00 0.00 N ATOM 1333 CA ASP A 100 11.993 -15.081 -2.720 1.00 0.00 C ATOM 1334 C ASP A 100 11.584 -15.414 -4.150 1.00 0.00 C ATOM 1335 O ASP A 100 10.638 -14.775 -4.660 1.00 0.00 O ATOM 1336 CB ASP A 100 10.750 -14.782 -1.879 1.00 0.00 C ATOM 1337 CG ASP A 100 10.112 -16.040 -1.322 1.00 0.00 C ATOM 1338 OD1 ASP A 100 10.138 -17.077 -2.018 1.00 0.00 O ATOM 1339 OD2 ASP A 100 9.587 -15.987 -0.190 1.00 0.00 O ATOM 1340 OXT ASP A 100 12.212 -16.310 -4.751 1.00 0.00 O ATOM 0 H ASP A 100 12.820 -13.314 -3.485 1.00 0.00 H new ATOM 0 HA ASP A 100 12.511 -15.944 -2.301 1.00 0.00 H new ATOM 0 HB2 ASP A 100 11.022 -14.121 -1.056 1.00 0.00 H new ATOM 0 HB3 ASP A 100 10.022 -14.248 -2.489 1.00 0.00 H new TER 1345 ASP A 100