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+ 140:sc= 0.509 (180deg=0.018) USER MOD Single : A 16 SER OG : rot -26:sc= 0.402 USER MOD Single : A 19 LYS NZ :NH3+ -133:sc= -0.0779 (180deg=-1.55!) USER MOD Single : A 21 THR OG1 : rot 73:sc= 0.237 USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -120:sc= -0.295 USER MOD Single : A 33 CYS SG : rot -119:sc= -1.68 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 150:sc= -1.02 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.0997 X(o=-0.1,f=-0.27) USER MOD Single : A 49 THR OG1 : rot 94:sc= 1.2 USER MOD Single : A 53 LYS NZ :NH3+ 165:sc= 0.136 (180deg=0.0914) USER MOD Single : A 60 ASN : amide:sc= -0.03 K(o=-0.03,f=-0.8) USER MOD Single : A 61 TYR OH : rot 180:sc= -1.21! USER MOD Single : A 64 GLN : amide:sc= -0.0481 X(o=-0.048,f=-0.43) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS : +bothHN:sc= -1.45 K(o=-1.4,f=-4.5!) USER MOD Single : A 83 CYS SG : rot -36:sc= -0.283 USER MOD Single : A 89 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0692) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 16 -14.364 6.904 1.841 1.00 0.00 N ATOM 2 CA SER A 16 -13.979 8.069 2.631 1.00 0.00 C ATOM 3 C SER A 16 -12.527 7.963 3.083 1.00 0.00 C ATOM 4 O SER A 16 -11.864 6.954 2.843 1.00 0.00 O ATOM 5 CB SER A 16 -14.896 8.211 3.848 1.00 0.00 C ATOM 6 OG SER A 16 -15.221 6.944 4.393 1.00 0.00 O ATOM 0 HA SER A 16 -14.081 8.954 2.003 1.00 0.00 H new ATOM 0 HB2 SER A 16 -14.407 8.822 4.607 1.00 0.00 H new ATOM 0 HB3 SER A 16 -15.809 8.732 3.560 1.00 0.00 H new ATOM 0 HG SER A 16 -15.164 6.262 3.692 1.00 0.00 H new ATOM 12 N GLU A 17 -12.038 9.010 3.739 1.00 0.00 N ATOM 13 CA GLU A 17 -10.664 9.034 4.225 1.00 0.00 C ATOM 14 C GLU A 17 -9.676 8.902 3.070 1.00 0.00 C ATOM 15 O GLU A 17 -10.076 8.830 1.907 1.00 0.00 O ATOM 16 CB GLU A 17 -10.441 7.906 5.234 1.00 0.00 C ATOM 17 CG GLU A 17 -10.910 8.246 6.639 1.00 0.00 C ATOM 18 CD GLU A 17 -12.285 7.688 6.946 1.00 0.00 C ATOM 19 OE1 GLU A 17 -12.389 6.469 7.199 1.00 0.00 O ATOM 20 OE2 GLU A 17 -13.260 8.470 6.932 1.00 0.00 O ATOM 0 H GLU A 17 -12.573 9.853 3.946 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.494 9.992 4.716 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.965 7.014 4.891 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.379 7.661 5.264 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.194 7.855 7.362 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.926 9.329 6.760 1.00 0.00 H new ATOM 27 N PHE A 18 -8.388 8.868 3.395 1.00 0.00 N ATOM 28 CA PHE A 18 -7.349 8.743 2.379 1.00 0.00 C ATOM 29 C PHE A 18 -7.267 7.310 1.864 1.00 0.00 C ATOM 30 O PHE A 18 -7.722 6.376 2.526 1.00 0.00 O ATOM 31 CB PHE A 18 -5.992 9.170 2.946 1.00 0.00 C ATOM 32 CG PHE A 18 -5.186 10.016 2.000 1.00 0.00 C ATOM 33 CD1 PHE A 18 -4.484 9.436 0.956 1.00 0.00 C ATOM 34 CD2 PHE A 18 -5.132 11.393 2.156 1.00 0.00 C ATOM 35 CE1 PHE A 18 -3.745 10.212 0.085 1.00 0.00 C ATOM 36 CE2 PHE A 18 -4.394 12.173 1.287 1.00 0.00 C ATOM 37 CZ PHE A 18 -3.700 11.582 0.252 1.00 0.00 C ATOM 0 H PHE A 18 -8.039 8.925 4.352 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.608 9.399 1.548 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.152 9.725 3.871 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.418 8.280 3.203 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.515 8.365 0.822 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.673 11.861 2.966 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.203 9.748 -0.726 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.360 13.245 1.418 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.122 12.190 -0.428 1.00 0.00 H new ATOM 47 N LYS A 19 -6.686 7.142 0.681 1.00 0.00 N ATOM 48 CA LYS A 19 -6.547 5.819 0.083 1.00 0.00 C ATOM 49 C LYS A 19 -5.605 5.856 -1.115 1.00 0.00 C ATOM 50 O LYS A 19 -5.850 6.568 -2.090 1.00 0.00 O ATOM 51 CB LYS A 19 -7.917 5.284 -0.342 1.00 0.00 C ATOM 52 CG LYS A 19 -8.476 4.228 0.598 1.00 0.00 C ATOM 53 CD LYS A 19 -9.106 3.075 -0.168 1.00 0.00 C ATOM 54 CE LYS A 19 -10.494 3.435 -0.676 1.00 0.00 C ATOM 55 NZ LYS A 19 -10.715 2.962 -2.070 1.00 0.00 N ATOM 0 H LYS A 19 -6.305 7.903 0.119 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.120 5.152 0.832 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.620 6.115 -0.401 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.838 4.862 -1.344 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.678 3.849 1.236 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.220 4.680 1.253 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.468 2.804 -1.010 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.170 2.199 0.478 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.246 2.996 -0.020 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.627 4.516 -0.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.131 3.730 -2.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.806 2.677 -2.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.363 2.148 -2.062 1.00 0.00 H new ATOM 69 N VAL A 20 -4.530 5.081 -1.038 1.00 0.00 N ATOM 70 CA VAL A 20 -3.552 5.019 -2.119 1.00 0.00 C ATOM 71 C VAL A 20 -3.200 3.575 -2.453 1.00 0.00 C ATOM 72 O VAL A 20 -3.119 2.724 -1.567 1.00 0.00 O ATOM 73 CB VAL A 20 -2.263 5.782 -1.761 1.00 0.00 C ATOM 74 CG1 VAL A 20 -2.469 7.281 -1.915 1.00 0.00 C ATOM 75 CG2 VAL A 20 -1.810 5.440 -0.350 1.00 0.00 C ATOM 0 H VAL A 20 -4.313 4.486 -0.238 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.010 5.491 -2.988 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.478 5.473 -2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.548 7.803 -1.658 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.738 7.507 -2.947 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.269 7.608 -1.251 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.898 5.990 -0.117 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.590 5.715 0.359 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.617 4.370 -0.279 1.00 0.00 H new ATOM 85 N THR A 21 -2.995 3.303 -3.737 1.00 0.00 N ATOM 86 CA THR A 21 -2.654 1.958 -4.190 1.00 0.00 C ATOM 87 C THR A 21 -1.146 1.797 -4.347 1.00 0.00 C ATOM 88 O THR A 21 -0.528 2.440 -5.194 1.00 0.00 O ATOM 89 CB THR A 21 -3.350 1.654 -5.516 1.00 0.00 C ATOM 90 OG1 THR A 21 -4.622 2.277 -5.572 1.00 0.00 O ATOM 91 CG2 THR A 21 -3.554 0.173 -5.760 1.00 0.00 C ATOM 0 H THR A 21 -3.059 3.996 -4.483 1.00 0.00 H new ATOM 0 HA THR A 21 -2.997 1.252 -3.434 1.00 0.00 H new ATOM 0 HB THR A 21 -2.685 2.045 -6.286 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.508 3.242 -5.700 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.053 0.027 -6.718 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.587 -0.330 -5.774 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.169 -0.246 -4.963 1.00 0.00 H new ATOM 99 N VAL A 22 -0.562 0.931 -3.525 1.00 0.00 N ATOM 100 CA VAL A 22 0.873 0.678 -3.572 1.00 0.00 C ATOM 101 C VAL A 22 1.167 -0.661 -4.241 1.00 0.00 C ATOM 102 O VAL A 22 0.976 -1.720 -3.642 1.00 0.00 O ATOM 103 CB VAL A 22 1.492 0.681 -2.162 1.00 0.00 C ATOM 104 CG1 VAL A 22 3.011 0.633 -2.243 1.00 0.00 C ATOM 105 CG2 VAL A 22 1.032 1.903 -1.381 1.00 0.00 C ATOM 0 H VAL A 22 -1.062 0.392 -2.818 1.00 0.00 H new ATOM 0 HA VAL A 22 1.320 1.483 -4.156 1.00 0.00 H new ATOM 0 HB VAL A 22 1.152 -0.210 -1.635 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.429 0.636 -1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.319 -0.275 -2.761 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.374 1.504 -2.789 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.479 1.889 -0.387 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.341 2.807 -1.905 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.054 1.889 -1.291 1.00 0.00 H new ATOM 115 N CYS A 23 1.628 -0.608 -5.486 1.00 0.00 N ATOM 116 CA CYS A 23 1.942 -1.818 -6.237 1.00 0.00 C ATOM 117 C CYS A 23 3.369 -2.281 -5.960 1.00 0.00 C ATOM 118 O CYS A 23 4.328 -1.730 -6.502 1.00 0.00 O ATOM 119 CB CYS A 23 1.754 -1.577 -7.735 1.00 0.00 C ATOM 120 SG CYS A 23 1.740 -3.086 -8.730 1.00 0.00 S ATOM 0 H CYS A 23 1.792 0.260 -5.996 1.00 0.00 H new ATOM 0 HA CYS A 23 1.258 -2.602 -5.912 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.817 -1.043 -7.891 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.554 -0.928 -8.091 1.00 0.00 H new ATOM 0 HG CYS A 23 1.574 -2.779 -9.982 1.00 0.00 H new ATOM 126 N PHE A 24 3.502 -3.299 -5.116 1.00 0.00 N ATOM 127 CA PHE A 24 4.811 -3.840 -4.771 1.00 0.00 C ATOM 128 C PHE A 24 5.259 -4.869 -5.801 1.00 0.00 C ATOM 129 O PHE A 24 4.847 -6.029 -5.750 1.00 0.00 O ATOM 130 CB PHE A 24 4.775 -4.476 -3.381 1.00 0.00 C ATOM 131 CG PHE A 24 4.721 -3.474 -2.265 1.00 0.00 C ATOM 132 CD1 PHE A 24 5.754 -2.572 -2.076 1.00 0.00 C ATOM 133 CD2 PHE A 24 3.634 -3.434 -1.407 1.00 0.00 C ATOM 134 CE1 PHE A 24 5.707 -1.647 -1.051 1.00 0.00 C ATOM 135 CE2 PHE A 24 3.581 -2.511 -0.380 1.00 0.00 C ATOM 136 CZ PHE A 24 4.619 -1.616 -0.202 1.00 0.00 C ATOM 0 H PHE A 24 2.719 -3.766 -4.658 1.00 0.00 H new ATOM 0 HA PHE A 24 5.527 -3.018 -4.767 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.907 -5.131 -3.312 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.658 -5.102 -3.254 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.607 -2.592 -2.738 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.820 -4.131 -1.542 1.00 0.00 H new ATOM 0 HE1 PHE A 24 6.520 -0.949 -0.914 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.729 -2.489 0.283 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.579 -0.894 0.600 1.00 0.00 H new ATOM 146 N GLY A 25 6.098 -4.440 -6.736 1.00 0.00 N ATOM 147 CA GLY A 25 6.582 -5.338 -7.768 1.00 0.00 C ATOM 148 C GLY A 25 5.464 -5.859 -8.650 1.00 0.00 C ATOM 149 O GLY A 25 5.251 -5.361 -9.755 1.00 0.00 O ATOM 0 H GLY A 25 6.452 -3.486 -6.798 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.315 -4.818 -8.384 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.096 -6.179 -7.303 1.00 0.00 H new ATOM 153 N ARG A 26 4.745 -6.864 -8.158 1.00 0.00 N ATOM 154 CA ARG A 26 3.640 -7.452 -8.905 1.00 0.00 C ATOM 155 C ARG A 26 2.452 -7.727 -7.988 1.00 0.00 C ATOM 156 O ARG A 26 1.693 -8.672 -8.205 1.00 0.00 O ATOM 157 CB ARG A 26 4.088 -8.748 -9.583 1.00 0.00 C ATOM 158 CG ARG A 26 3.456 -8.971 -10.948 1.00 0.00 C ATOM 159 CD ARG A 26 4.397 -9.714 -11.880 1.00 0.00 C ATOM 160 NE ARG A 26 5.250 -8.800 -12.638 1.00 0.00 N ATOM 161 CZ ARG A 26 5.977 -9.166 -13.690 1.00 0.00 C ATOM 162 NH1 ARG A 26 5.957 -10.424 -14.115 1.00 0.00 N ATOM 163 NH2 ARG A 26 6.725 -8.272 -14.323 1.00 0.00 N ATOM 0 H ARG A 26 4.909 -7.288 -7.245 1.00 0.00 H new ATOM 0 HA ARG A 26 3.329 -6.740 -9.670 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.172 -8.735 -9.692 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.842 -9.590 -8.936 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.532 -9.537 -10.834 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.189 -8.010 -11.388 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.020 -10.394 -11.300 1.00 0.00 H new ATOM 0 HD3 ARG A 26 3.816 -10.325 -12.571 1.00 0.00 H new ATOM 0 HE ARG A 26 5.290 -7.824 -12.343 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.382 -11.116 -13.634 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.517 -10.699 -14.922 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.743 -7.304 -14.003 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.282 -8.553 -15.130 1.00 0.00 H new ATOM 177 N THR A 27 2.299 -6.896 -6.963 1.00 0.00 N ATOM 178 CA THR A 27 1.203 -7.048 -6.011 1.00 0.00 C ATOM 179 C THR A 27 0.621 -5.688 -5.632 1.00 0.00 C ATOM 180 O THR A 27 1.281 -4.882 -4.975 1.00 0.00 O ATOM 181 CB THR A 27 1.688 -7.778 -4.758 1.00 0.00 C ATOM 182 OG1 THR A 27 2.202 -9.056 -5.092 1.00 0.00 O ATOM 183 CG2 THR A 27 0.605 -7.977 -3.718 1.00 0.00 C ATOM 0 H THR A 27 2.920 -6.110 -6.769 1.00 0.00 H new ATOM 0 HA THR A 27 0.419 -7.638 -6.485 1.00 0.00 H new ATOM 0 HB THR A 27 2.460 -7.137 -4.333 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.687 -9.748 -4.626 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.019 -8.501 -2.857 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.221 -7.007 -3.402 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.206 -8.567 -4.146 1.00 0.00 H new ATOM 191 N ARG A 28 -0.617 -5.443 -6.049 1.00 0.00 N ATOM 192 CA ARG A 28 -1.287 -4.181 -5.752 1.00 0.00 C ATOM 193 C ARG A 28 -2.025 -4.258 -4.421 1.00 0.00 C ATOM 194 O ARG A 28 -2.880 -5.122 -4.221 1.00 0.00 O ATOM 195 CB ARG A 28 -2.266 -3.824 -6.872 1.00 0.00 C ATOM 196 CG ARG A 28 -3.276 -4.921 -7.169 1.00 0.00 C ATOM 197 CD ARG A 28 -4.687 -4.366 -7.282 1.00 0.00 C ATOM 198 NE ARG A 28 -5.647 -5.386 -7.697 1.00 0.00 N ATOM 199 CZ ARG A 28 -6.926 -5.136 -7.963 1.00 0.00 C ATOM 200 NH1 ARG A 28 -7.404 -3.901 -7.859 1.00 0.00 N ATOM 201 NH2 ARG A 28 -7.730 -6.122 -8.335 1.00 0.00 N ATOM 0 H ARG A 28 -1.176 -6.100 -6.593 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.528 -3.402 -5.681 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.800 -2.914 -6.600 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.703 -3.604 -7.779 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.006 -5.423 -8.098 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.242 -5.672 -6.379 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.991 -3.952 -6.321 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.697 -3.546 -8.000 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.317 -6.347 -7.788 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.789 -3.139 -7.574 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.386 -3.715 -8.064 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.368 -7.072 -8.417 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.711 -5.931 -8.539 1.00 0.00 H new ATOM 215 N VAL A 29 -1.692 -3.348 -3.511 1.00 0.00 N ATOM 216 CA VAL A 29 -2.324 -3.314 -2.197 1.00 0.00 C ATOM 217 C VAL A 29 -2.701 -1.889 -1.807 1.00 0.00 C ATOM 218 O VAL A 29 -1.835 -1.027 -1.652 1.00 0.00 O ATOM 219 CB VAL A 29 -1.403 -3.903 -1.114 1.00 0.00 C ATOM 220 CG1 VAL A 29 -1.346 -5.419 -1.229 1.00 0.00 C ATOM 221 CG2 VAL A 29 -0.009 -3.302 -1.212 1.00 0.00 C ATOM 0 H VAL A 29 -0.988 -2.625 -3.659 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.226 -3.922 -2.264 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.814 -3.650 -0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.690 -5.818 -0.455 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.347 -5.831 -1.104 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.960 -5.695 -2.210 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.627 -3.731 -0.438 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.414 -3.522 -2.192 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.068 -2.222 -1.076 1.00 0.00 H new ATOM 231 N ASP A 30 -3.998 -1.647 -1.647 1.00 0.00 N ATOM 232 CA ASP A 30 -4.490 -0.327 -1.273 1.00 0.00 C ATOM 233 C ASP A 30 -4.224 -0.047 0.202 1.00 0.00 C ATOM 234 O ASP A 30 -4.268 -0.954 1.034 1.00 0.00 O ATOM 235 CB ASP A 30 -5.987 -0.214 -1.564 1.00 0.00 C ATOM 236 CG ASP A 30 -6.791 -1.306 -0.888 1.00 0.00 C ATOM 237 OD1 ASP A 30 -6.620 -2.487 -1.260 1.00 0.00 O ATOM 238 OD2 ASP A 30 -7.590 -0.983 0.015 1.00 0.00 O ATOM 0 H ASP A 30 -4.728 -2.349 -1.771 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.956 0.414 -1.868 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.347 0.759 -1.229 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.150 -0.261 -2.641 1.00 0.00 H new ATOM 243 N VAL A 31 -3.944 1.213 0.522 1.00 0.00 N ATOM 244 CA VAL A 31 -3.670 1.608 1.897 1.00 0.00 C ATOM 245 C VAL A 31 -4.477 2.845 2.289 1.00 0.00 C ATOM 246 O VAL A 31 -4.136 3.965 1.904 1.00 0.00 O ATOM 247 CB VAL A 31 -2.172 1.899 2.109 1.00 0.00 C ATOM 248 CG1 VAL A 31 -1.876 2.125 3.585 1.00 0.00 C ATOM 249 CG2 VAL A 31 -1.323 0.764 1.553 1.00 0.00 C ATOM 0 H VAL A 31 -3.901 1.977 -0.153 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.965 0.771 2.530 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.917 2.810 1.568 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.813 2.329 3.716 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.456 2.974 3.946 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.147 1.234 4.151 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.268 0.987 1.712 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.578 -0.165 2.063 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.514 0.656 0.485 1.00 0.00 H new ATOM 259 N PRO A 32 -5.561 2.661 3.064 1.00 0.00 N ATOM 260 CA PRO A 32 -6.411 3.765 3.506 1.00 0.00 C ATOM 261 C PRO A 32 -5.875 4.440 4.764 1.00 0.00 C ATOM 262 O PRO A 32 -5.555 3.774 5.748 1.00 0.00 O ATOM 263 CB PRO A 32 -7.736 3.066 3.797 1.00 0.00 C ATOM 264 CG PRO A 32 -7.343 1.707 4.270 1.00 0.00 C ATOM 265 CD PRO A 32 -6.049 1.361 3.568 1.00 0.00 C ATOM 0 HA PRO A 32 -6.478 4.563 2.767 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.309 3.600 4.555 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.360 3.011 2.905 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.211 1.697 5.352 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.118 0.977 4.036 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.334 0.903 4.251 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.212 0.653 2.755 1.00 0.00 H new ATOM 273 N CYS A 33 -5.779 5.765 4.728 1.00 0.00 N ATOM 274 CA CYS A 33 -5.280 6.524 5.868 1.00 0.00 C ATOM 275 C CYS A 33 -6.432 7.159 6.643 1.00 0.00 C ATOM 276 O CYS A 33 -7.315 7.786 6.060 1.00 0.00 O ATOM 277 CB CYS A 33 -4.302 7.607 5.407 1.00 0.00 C ATOM 278 SG CYS A 33 -3.188 7.083 4.081 1.00 0.00 S ATOM 0 H CYS A 33 -6.040 6.334 3.923 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.755 5.833 6.528 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.870 8.474 5.068 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.706 7.930 6.261 1.00 0.00 H new ATOM 0 HG CYS A 33 -1.957 7.165 4.491 1.00 0.00 H new ATOM 284 N GLY A 34 -6.413 6.984 7.961 1.00 0.00 N ATOM 285 CA GLY A 34 -7.460 7.540 8.800 1.00 0.00 C ATOM 286 C GLY A 34 -7.670 9.027 8.578 1.00 0.00 C ATOM 287 O GLY A 34 -8.801 9.479 8.402 1.00 0.00 O ATOM 0 H GLY A 34 -5.691 6.467 8.463 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.394 7.013 8.603 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.210 7.366 9.847 1.00 0.00 H new ATOM 291 N ASP A 35 -6.581 9.789 8.587 1.00 0.00 N ATOM 292 CA ASP A 35 -6.659 11.231 8.388 1.00 0.00 C ATOM 293 C ASP A 35 -5.839 11.661 7.177 1.00 0.00 C ATOM 294 O ASP A 35 -6.299 12.445 6.348 1.00 0.00 O ATOM 295 CB ASP A 35 -6.170 11.966 9.637 1.00 0.00 C ATOM 296 CG ASP A 35 -7.148 11.860 10.791 1.00 0.00 C ATOM 297 OD1 ASP A 35 -8.252 12.432 10.689 1.00 0.00 O ATOM 298 OD2 ASP A 35 -6.807 11.202 11.798 1.00 0.00 O ATOM 0 H ASP A 35 -5.636 9.432 8.730 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.702 11.490 8.206 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.207 11.557 9.942 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.008 13.017 9.397 1.00 0.00 H new ATOM 303 N GLY A 36 -4.618 11.145 7.085 1.00 0.00 N ATOM 304 CA GLY A 36 -3.750 11.488 5.975 1.00 0.00 C ATOM 305 C GLY A 36 -2.498 12.226 6.417 1.00 0.00 C ATOM 306 O GLY A 36 -1.767 12.769 5.589 1.00 0.00 O ATOM 0 H GLY A 36 -4.214 10.495 7.760 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.463 10.578 5.448 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.300 12.107 5.266 1.00 0.00 H new ATOM 310 N ARG A 37 -2.248 12.242 7.724 1.00 0.00 N ATOM 311 CA ARG A 37 -1.076 12.913 8.269 1.00 0.00 C ATOM 312 C ARG A 37 0.047 11.913 8.520 1.00 0.00 C ATOM 313 O ARG A 37 0.808 12.042 9.480 1.00 0.00 O ATOM 314 CB ARG A 37 -1.435 13.638 9.568 1.00 0.00 C ATOM 315 CG ARG A 37 -1.777 15.105 9.372 1.00 0.00 C ATOM 316 CD ARG A 37 -0.646 16.010 9.842 1.00 0.00 C ATOM 317 NE ARG A 37 -0.889 17.410 9.502 1.00 0.00 N ATOM 318 CZ ARG A 37 0.044 18.359 9.558 1.00 0.00 C ATOM 319 NH1 ARG A 37 1.281 18.061 9.938 1.00 0.00 N ATOM 320 NH2 ARG A 37 -0.260 19.607 9.232 1.00 0.00 N ATOM 0 H ARG A 37 -2.843 11.797 8.423 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.731 13.646 7.540 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.283 13.135 10.032 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.598 13.558 10.262 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.982 15.294 8.318 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.688 15.344 9.921 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.529 15.914 10.921 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.291 15.684 9.390 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.828 17.676 9.204 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.520 17.102 10.189 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.992 18.791 9.979 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.208 19.841 8.938 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.454 20.334 9.275 1.00 0.00 H new ATOM 334 N MET A 38 0.142 10.913 7.651 1.00 0.00 N ATOM 335 CA MET A 38 1.167 9.884 7.775 1.00 0.00 C ATOM 336 C MET A 38 2.206 10.018 6.667 1.00 0.00 C ATOM 337 O MET A 38 1.882 9.906 5.484 1.00 0.00 O ATOM 338 CB MET A 38 0.530 8.494 7.722 1.00 0.00 C ATOM 339 CG MET A 38 1.143 7.505 8.699 1.00 0.00 C ATOM 340 SD MET A 38 -0.098 6.531 9.575 1.00 0.00 S ATOM 341 CE MET A 38 -0.727 5.511 8.244 1.00 0.00 C ATOM 0 H MET A 38 -0.480 10.793 6.851 1.00 0.00 H new ATOM 0 HA MET A 38 1.665 10.014 8.736 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.536 8.584 7.930 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.625 8.099 6.711 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.811 6.834 8.159 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.752 8.046 9.423 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.505 4.851 8.628 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.143 6.148 7.463 1.00 0.00 H new ATOM 0 HE3 MET A 38 0.084 4.913 7.830 1.00 0.00 H new ATOM 351 N LYS A 39 3.455 10.254 7.054 1.00 0.00 N ATOM 352 CA LYS A 39 4.536 10.395 6.089 1.00 0.00 C ATOM 353 C LYS A 39 4.597 9.179 5.169 1.00 0.00 C ATOM 354 O LYS A 39 4.240 8.069 5.569 1.00 0.00 O ATOM 355 CB LYS A 39 5.874 10.569 6.811 1.00 0.00 C ATOM 356 CG LYS A 39 6.215 12.018 7.124 1.00 0.00 C ATOM 357 CD LYS A 39 7.631 12.154 7.659 1.00 0.00 C ATOM 358 CE LYS A 39 7.814 13.453 8.430 1.00 0.00 C ATOM 359 NZ LYS A 39 8.658 14.426 7.684 1.00 0.00 N ATOM 0 H LYS A 39 3.742 10.351 8.028 1.00 0.00 H new ATOM 0 HA LYS A 39 4.341 11.281 5.485 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.852 10.001 7.741 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.667 10.143 6.196 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.106 12.621 6.223 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.509 12.409 7.857 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.858 11.309 8.309 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.339 12.118 6.831 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.839 13.897 8.630 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.272 13.241 9.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.759 15.298 8.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.597 14.013 7.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.208 14.649 6.773 1.00 0.00 H new ATOM 373 N VAL A 40 5.049 9.390 3.937 1.00 0.00 N ATOM 374 CA VAL A 40 5.150 8.304 2.969 1.00 0.00 C ATOM 375 C VAL A 40 5.836 7.087 3.582 1.00 0.00 C ATOM 376 O VAL A 40 5.389 5.956 3.399 1.00 0.00 O ATOM 377 CB VAL A 40 5.924 8.741 1.707 1.00 0.00 C ATOM 378 CG1 VAL A 40 5.964 7.615 0.682 1.00 0.00 C ATOM 379 CG2 VAL A 40 5.305 9.995 1.103 1.00 0.00 C ATOM 0 H VAL A 40 5.350 10.299 3.586 1.00 0.00 H new ATOM 0 HA VAL A 40 4.132 8.038 2.683 1.00 0.00 H new ATOM 0 HB VAL A 40 6.948 8.972 2.000 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.514 7.945 -0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.459 6.746 1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.947 7.347 0.396 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.866 10.286 0.215 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.269 9.794 0.829 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.336 10.804 1.833 1.00 0.00 H new ATOM 389 N PHE A 41 6.920 7.330 4.317 1.00 0.00 N ATOM 390 CA PHE A 41 7.671 6.258 4.966 1.00 0.00 C ATOM 391 C PHE A 41 6.749 5.343 5.765 1.00 0.00 C ATOM 392 O PHE A 41 6.805 4.120 5.635 1.00 0.00 O ATOM 393 CB PHE A 41 8.747 6.846 5.886 1.00 0.00 C ATOM 394 CG PHE A 41 9.825 5.868 6.271 1.00 0.00 C ATOM 395 CD1 PHE A 41 9.512 4.683 6.923 1.00 0.00 C ATOM 396 CD2 PHE A 41 11.155 6.137 5.985 1.00 0.00 C ATOM 397 CE1 PHE A 41 10.505 3.787 7.276 1.00 0.00 C ATOM 398 CE2 PHE A 41 12.150 5.245 6.338 1.00 0.00 C ATOM 399 CZ PHE A 41 11.825 4.068 6.984 1.00 0.00 C ATOM 0 H PHE A 41 7.298 8.263 4.478 1.00 0.00 H new ATOM 0 HA PHE A 41 8.149 5.665 4.186 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.207 7.701 5.390 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.271 7.221 6.792 1.00 0.00 H new ATOM 0 HD1 PHE A 41 8.482 4.458 7.157 1.00 0.00 H new ATOM 0 HD2 PHE A 41 11.417 7.055 5.480 1.00 0.00 H new ATOM 0 HE1 PHE A 41 10.248 2.867 7.780 1.00 0.00 H new ATOM 0 HE2 PHE A 41 13.182 5.468 6.109 1.00 0.00 H new ATOM 0 HZ PHE A 41 12.601 3.370 7.260 1.00 0.00 H new ATOM 409 N SER A 42 5.900 5.943 6.589 1.00 0.00 N ATOM 410 CA SER A 42 4.965 5.180 7.405 1.00 0.00 C ATOM 411 C SER A 42 4.004 4.398 6.520 1.00 0.00 C ATOM 412 O SER A 42 3.616 3.275 6.845 1.00 0.00 O ATOM 413 CB SER A 42 4.185 6.110 8.335 1.00 0.00 C ATOM 414 OG SER A 42 3.203 5.394 9.063 1.00 0.00 O ATOM 0 H SER A 42 5.840 6.954 6.710 1.00 0.00 H new ATOM 0 HA SER A 42 5.534 4.476 8.012 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.872 6.598 9.027 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.708 6.897 7.751 1.00 0.00 H new ATOM 0 HG SER A 42 3.060 5.826 9.931 1.00 0.00 H new ATOM 420 N LEU A 43 3.628 4.998 5.395 1.00 0.00 N ATOM 421 CA LEU A 43 2.718 4.354 4.459 1.00 0.00 C ATOM 422 C LEU A 43 3.372 3.129 3.834 1.00 0.00 C ATOM 423 O LEU A 43 2.705 2.133 3.551 1.00 0.00 O ATOM 424 CB LEU A 43 2.294 5.338 3.367 1.00 0.00 C ATOM 425 CG LEU A 43 1.169 4.846 2.454 1.00 0.00 C ATOM 426 CD1 LEU A 43 -0.187 5.227 3.027 1.00 0.00 C ATOM 427 CD2 LEU A 43 1.337 5.409 1.052 1.00 0.00 C ATOM 0 H LEU A 43 3.939 5.927 5.111 1.00 0.00 H new ATOM 0 HA LEU A 43 1.832 4.034 5.007 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.977 6.268 3.840 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.163 5.573 2.753 1.00 0.00 H new ATOM 0 HG LEU A 43 1.222 3.759 2.395 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.975 4.869 2.365 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.306 4.774 4.011 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.253 6.311 3.116 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.528 5.049 0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.310 6.498 1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.293 5.084 0.642 1.00 0.00 H new ATOM 439 N ILE A 44 4.683 3.204 3.626 1.00 0.00 N ATOM 440 CA ILE A 44 5.422 2.094 3.042 1.00 0.00 C ATOM 441 C ILE A 44 5.427 0.894 3.980 1.00 0.00 C ATOM 442 O ILE A 44 5.095 -0.219 3.579 1.00 0.00 O ATOM 443 CB ILE A 44 6.877 2.480 2.718 1.00 0.00 C ATOM 444 CG1 ILE A 44 6.915 3.800 1.945 1.00 0.00 C ATOM 445 CG2 ILE A 44 7.547 1.367 1.926 1.00 0.00 C ATOM 446 CD1 ILE A 44 8.245 4.083 1.276 1.00 0.00 C ATOM 0 H ILE A 44 5.252 4.019 3.853 1.00 0.00 H new ATOM 0 HA ILE A 44 4.915 1.834 2.113 1.00 0.00 H new ATOM 0 HB ILE A 44 7.425 2.617 3.650 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.133 3.787 1.186 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.682 4.617 2.629 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.576 1.649 1.701 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.542 0.449 2.513 1.00 0.00 H new ATOM 0 HG23 ILE A 44 7.004 1.205 0.995 1.00 0.00 H new ATOM 0 HD11 ILE A 44 8.192 5.036 0.749 1.00 0.00 H new ATOM 0 HD12 ILE A 44 9.030 4.130 2.031 1.00 0.00 H new ATOM 0 HD13 ILE A 44 8.472 3.288 0.566 1.00 0.00 H new ATOM 458 N GLN A 45 5.805 1.131 5.232 1.00 0.00 N ATOM 459 CA GLN A 45 5.852 0.064 6.226 1.00 0.00 C ATOM 460 C GLN A 45 4.481 -0.583 6.399 1.00 0.00 C ATOM 461 O GLN A 45 4.377 -1.787 6.627 1.00 0.00 O ATOM 462 CB GLN A 45 6.348 0.611 7.568 1.00 0.00 C ATOM 463 CG GLN A 45 7.379 -0.280 8.242 1.00 0.00 C ATOM 464 CD GLN A 45 8.801 0.167 7.970 1.00 0.00 C ATOM 465 OE1 GLN A 45 9.284 0.085 6.840 1.00 0.00 O ATOM 466 NE2 GLN A 45 9.482 0.641 9.007 1.00 0.00 N ATOM 0 H GLN A 45 6.082 2.048 5.582 1.00 0.00 H new ATOM 0 HA GLN A 45 6.547 -0.697 5.873 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.780 1.599 7.411 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.497 0.738 8.237 1.00 0.00 H new ATOM 0 HG2 GLN A 45 7.203 -0.284 9.318 1.00 0.00 H new ATOM 0 HG3 GLN A 45 7.251 -1.305 7.894 1.00 0.00 H new ATOM 0 HE21 GLN A 45 9.042 0.691 9.926 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.445 0.955 8.884 1.00 0.00 H new ATOM 475 N GLN A 46 3.432 0.225 6.289 1.00 0.00 N ATOM 476 CA GLN A 46 2.069 -0.274 6.433 1.00 0.00 C ATOM 477 C GLN A 46 1.695 -1.180 5.263 1.00 0.00 C ATOM 478 O GLN A 46 1.168 -2.277 5.457 1.00 0.00 O ATOM 479 CB GLN A 46 1.084 0.894 6.529 1.00 0.00 C ATOM 480 CG GLN A 46 0.690 1.243 7.956 1.00 0.00 C ATOM 481 CD GLN A 46 -0.156 0.168 8.607 1.00 0.00 C ATOM 482 OE1 GLN A 46 -1.123 -0.319 8.019 1.00 0.00 O ATOM 483 NE2 GLN A 46 0.203 -0.210 9.828 1.00 0.00 N ATOM 0 H GLN A 46 3.499 1.225 6.101 1.00 0.00 H new ATOM 0 HA GLN A 46 2.016 -0.859 7.351 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.527 1.772 6.058 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.186 0.648 5.963 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.591 1.400 8.549 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.139 2.184 7.957 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.011 0.220 10.278 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.329 -0.930 10.316 1.00 0.00 H new ATOM 492 N ALA A 47 1.968 -0.713 4.048 1.00 0.00 N ATOM 493 CA ALA A 47 1.658 -1.478 2.848 1.00 0.00 C ATOM 494 C ALA A 47 2.531 -2.726 2.743 1.00 0.00 C ATOM 495 O ALA A 47 2.035 -3.821 2.477 1.00 0.00 O ATOM 496 CB ALA A 47 1.825 -0.607 1.612 1.00 0.00 C ATOM 0 H ALA A 47 2.403 0.192 3.870 1.00 0.00 H new ATOM 0 HA ALA A 47 0.620 -1.803 2.915 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.590 -1.190 0.722 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.150 0.247 1.675 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.854 -0.253 1.553 1.00 0.00 H new ATOM 502 N VAL A 48 3.833 -2.555 2.954 1.00 0.00 N ATOM 503 CA VAL A 48 4.775 -3.670 2.887 1.00 0.00 C ATOM 504 C VAL A 48 4.327 -4.813 3.789 1.00 0.00 C ATOM 505 O VAL A 48 4.206 -5.957 3.348 1.00 0.00 O ATOM 506 CB VAL A 48 6.198 -3.232 3.292 1.00 0.00 C ATOM 507 CG1 VAL A 48 7.167 -4.402 3.214 1.00 0.00 C ATOM 508 CG2 VAL A 48 6.672 -2.085 2.413 1.00 0.00 C ATOM 0 H VAL A 48 4.261 -1.655 3.173 1.00 0.00 H new ATOM 0 HA VAL A 48 4.794 -4.011 1.852 1.00 0.00 H new ATOM 0 HB VAL A 48 6.167 -2.886 4.325 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.164 -4.069 3.504 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.838 -5.192 3.889 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.195 -4.784 2.194 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.677 -1.789 2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.683 -2.406 1.371 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.996 -1.238 2.525 1.00 0.00 H new ATOM 518 N THR A 49 4.078 -4.494 5.054 1.00 0.00 N ATOM 519 CA THR A 49 3.636 -5.493 6.020 1.00 0.00 C ATOM 520 C THR A 49 2.359 -6.178 5.541 1.00 0.00 C ATOM 521 O THR A 49 2.234 -7.401 5.610 1.00 0.00 O ATOM 522 CB THR A 49 3.402 -4.840 7.384 1.00 0.00 C ATOM 523 OG1 THR A 49 4.588 -4.224 7.853 1.00 0.00 O ATOM 524 CG2 THR A 49 2.943 -5.817 8.445 1.00 0.00 C ATOM 0 H THR A 49 4.175 -3.553 5.434 1.00 0.00 H new ATOM 0 HA THR A 49 4.417 -6.247 6.117 1.00 0.00 H new ATOM 0 HB THR A 49 2.612 -4.107 7.222 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.591 -3.279 7.592 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.796 -5.289 9.387 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.004 -6.275 8.136 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.698 -6.592 8.578 1.00 0.00 H new ATOM 532 N ARG A 50 1.416 -5.379 5.049 1.00 0.00 N ATOM 533 CA ARG A 50 0.152 -5.908 4.552 1.00 0.00 C ATOM 534 C ARG A 50 0.370 -6.754 3.300 1.00 0.00 C ATOM 535 O ARG A 50 -0.381 -7.694 3.037 1.00 0.00 O ATOM 536 CB ARG A 50 -0.820 -4.764 4.251 1.00 0.00 C ATOM 537 CG ARG A 50 -2.154 -4.895 4.969 1.00 0.00 C ATOM 538 CD ARG A 50 -3.200 -5.554 4.085 1.00 0.00 C ATOM 539 NE ARG A 50 -4.531 -4.990 4.297 1.00 0.00 N ATOM 540 CZ ARG A 50 -5.573 -5.227 3.505 1.00 0.00 C ATOM 541 NH1 ARG A 50 -5.443 -6.018 2.445 1.00 0.00 N ATOM 542 NH2 ARG A 50 -6.747 -4.673 3.770 1.00 0.00 N ATOM 0 H ARG A 50 1.504 -4.365 4.984 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.277 -6.545 5.326 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.355 -3.819 4.534 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.998 -4.722 3.176 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.023 -5.481 5.878 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.503 -3.908 5.274 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.918 -5.434 3.039 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.224 -6.625 4.288 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.670 -4.378 5.101 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.541 -6.446 2.236 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.245 -6.197 1.841 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.852 -4.064 4.582 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -7.546 -4.855 3.162 1.00 0.00 H new ATOM 556 N TYR A 51 1.401 -6.415 2.531 1.00 0.00 N ATOM 557 CA TYR A 51 1.714 -7.146 1.309 1.00 0.00 C ATOM 558 C TYR A 51 2.139 -8.577 1.628 1.00 0.00 C ATOM 559 O TYR A 51 1.535 -9.535 1.144 1.00 0.00 O ATOM 560 CB TYR A 51 2.820 -6.423 0.527 1.00 0.00 C ATOM 561 CG TYR A 51 3.534 -7.297 -0.485 1.00 0.00 C ATOM 562 CD1 TYR A 51 2.820 -8.067 -1.392 1.00 0.00 C ATOM 563 CD2 TYR A 51 4.922 -7.352 -0.527 1.00 0.00 C ATOM 564 CE1 TYR A 51 3.467 -8.868 -2.315 1.00 0.00 C ATOM 565 CE2 TYR A 51 5.577 -8.148 -1.446 1.00 0.00 C ATOM 566 CZ TYR A 51 4.845 -8.905 -2.337 1.00 0.00 C ATOM 567 OH TYR A 51 5.493 -9.701 -3.253 1.00 0.00 O ATOM 0 H TYR A 51 2.032 -5.640 2.733 1.00 0.00 H new ATOM 0 HA TYR A 51 0.816 -7.186 0.693 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.385 -5.568 0.010 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.552 -6.030 1.233 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.740 -8.040 -1.377 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.498 -6.762 0.171 1.00 0.00 H new ATOM 0 HE1 TYR A 51 2.896 -9.461 -3.014 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.656 -8.178 -1.467 1.00 0.00 H new ATOM 0 HH TYR A 51 6.462 -9.612 -3.136 1.00 0.00 H new ATOM 577 N ARG A 52 3.180 -8.716 2.444 1.00 0.00 N ATOM 578 CA ARG A 52 3.679 -10.032 2.820 1.00 0.00 C ATOM 579 C ARG A 52 2.589 -10.852 3.505 1.00 0.00 C ATOM 580 O ARG A 52 2.516 -12.069 3.335 1.00 0.00 O ATOM 581 CB ARG A 52 4.897 -9.903 3.741 1.00 0.00 C ATOM 582 CG ARG A 52 4.634 -9.095 5.002 1.00 0.00 C ATOM 583 CD ARG A 52 5.451 -9.614 6.174 1.00 0.00 C ATOM 584 NE ARG A 52 5.604 -8.608 7.224 1.00 0.00 N ATOM 585 CZ ARG A 52 5.931 -8.894 8.483 1.00 0.00 C ATOM 586 NH1 ARG A 52 6.142 -10.151 8.852 1.00 0.00 N ATOM 587 NH2 ARG A 52 6.049 -7.920 9.373 1.00 0.00 N ATOM 0 H ARG A 52 3.692 -7.936 2.856 1.00 0.00 H new ATOM 0 HA ARG A 52 3.980 -10.550 1.909 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.233 -10.900 4.024 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.712 -9.437 3.186 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.877 -8.048 4.822 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.573 -9.138 5.249 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.969 -10.500 6.588 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.435 -9.922 5.821 1.00 0.00 H new ATOM 0 HE ARG A 52 5.451 -7.630 6.978 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.054 -10.904 8.170 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.392 -10.364 9.818 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.889 -6.952 9.094 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.299 -8.138 10.337 1.00 0.00 H new ATOM 601 N LYS A 53 1.743 -10.177 4.276 1.00 0.00 N ATOM 602 CA LYS A 53 0.654 -10.842 4.983 1.00 0.00 C ATOM 603 C LYS A 53 -0.450 -11.268 4.018 1.00 0.00 C ATOM 604 O LYS A 53 -1.148 -12.252 4.257 1.00 0.00 O ATOM 605 CB LYS A 53 0.081 -9.922 6.063 1.00 0.00 C ATOM 606 CG LYS A 53 0.955 -9.817 7.300 1.00 0.00 C ATOM 607 CD LYS A 53 1.143 -11.170 7.972 1.00 0.00 C ATOM 608 CE LYS A 53 2.613 -11.535 8.093 1.00 0.00 C ATOM 609 NZ LYS A 53 2.806 -12.994 8.326 1.00 0.00 N ATOM 0 H LYS A 53 1.790 -9.169 4.427 1.00 0.00 H new ATOM 0 HA LYS A 53 1.058 -11.737 5.456 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.060 -8.926 5.643 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.904 -10.287 6.354 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.928 -9.409 7.025 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.504 -9.119 8.006 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.690 -11.151 8.963 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.623 -11.937 7.398 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.136 -11.240 7.183 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.060 -10.974 8.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.800 -13.245 8.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.558 -13.224 9.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.194 -13.533 7.680 1.00 0.00 H new ATOM 623 N ALA A 54 -0.609 -10.514 2.934 1.00 0.00 N ATOM 624 CA ALA A 54 -1.634 -10.812 1.940 1.00 0.00 C ATOM 625 C ALA A 54 -1.159 -11.870 0.950 1.00 0.00 C ATOM 626 O ALA A 54 -1.949 -12.682 0.467 1.00 0.00 O ATOM 627 CB ALA A 54 -2.038 -9.544 1.204 1.00 0.00 C ATOM 0 H ALA A 54 -0.042 -9.693 2.722 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.502 -11.211 2.464 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.804 -9.780 0.465 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.433 -8.820 1.917 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.167 -9.122 0.702 1.00 0.00 H new ATOM 633 N VAL A 55 0.134 -11.856 0.651 1.00 0.00 N ATOM 634 CA VAL A 55 0.713 -12.814 -0.284 1.00 0.00 C ATOM 635 C VAL A 55 1.076 -14.129 0.408 1.00 0.00 C ATOM 636 O VAL A 55 1.651 -15.025 -0.211 1.00 0.00 O ATOM 637 CB VAL A 55 1.970 -12.238 -0.967 1.00 0.00 C ATOM 638 CG1 VAL A 55 3.061 -11.971 0.058 1.00 0.00 C ATOM 639 CG2 VAL A 55 2.467 -13.176 -2.056 1.00 0.00 C ATOM 0 H VAL A 55 0.802 -11.192 1.042 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.048 -13.012 -1.039 1.00 0.00 H new ATOM 0 HB VAL A 55 1.703 -11.290 -1.434 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.940 -11.565 -0.443 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.700 -11.254 0.795 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.327 -12.903 0.558 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.354 -12.751 -2.525 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.716 -14.143 -1.618 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.688 -13.308 -2.806 1.00 0.00 H new ATOM 649 N ALA A 56 0.736 -14.244 1.691 1.00 0.00 N ATOM 650 CA ALA A 56 1.027 -15.452 2.454 1.00 0.00 C ATOM 651 C ALA A 56 2.531 -15.678 2.580 1.00 0.00 C ATOM 652 O ALA A 56 3.017 -16.797 2.415 1.00 0.00 O ATOM 653 CB ALA A 56 0.359 -16.659 1.810 1.00 0.00 C ATOM 0 H ALA A 56 0.259 -13.515 2.222 1.00 0.00 H new ATOM 0 HA ALA A 56 0.623 -15.321 3.458 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.585 -17.553 2.391 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.720 -16.507 1.784 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.733 -16.782 0.794 1.00 0.00 H new ATOM 659 N LYS A 57 3.263 -14.610 2.880 1.00 0.00 N ATOM 660 CA LYS A 57 4.711 -14.694 3.036 1.00 0.00 C ATOM 661 C LYS A 57 5.115 -14.442 4.484 1.00 0.00 C ATOM 662 O LYS A 57 4.262 -14.299 5.361 1.00 0.00 O ATOM 663 CB LYS A 57 5.409 -13.688 2.120 1.00 0.00 C ATOM 664 CG LYS A 57 5.779 -14.258 0.762 1.00 0.00 C ATOM 665 CD LYS A 57 5.885 -13.163 -0.288 1.00 0.00 C ATOM 666 CE LYS A 57 7.109 -13.352 -1.171 1.00 0.00 C ATOM 667 NZ LYS A 57 7.044 -12.510 -2.398 1.00 0.00 N ATOM 0 H LYS A 57 2.877 -13.676 3.020 1.00 0.00 H new ATOM 0 HA LYS A 57 5.021 -15.701 2.757 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.757 -12.826 1.978 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.312 -13.327 2.612 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.729 -14.788 0.834 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.029 -14.987 0.455 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.987 -13.162 -0.905 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.936 -12.191 0.203 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.007 -13.101 -0.606 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.194 -14.401 -1.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.986 -12.118 -2.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.731 -13.091 -3.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.369 -11.732 -2.250 1.00 0.00 H new ATOM 681 N ASP A 58 6.420 -14.386 4.729 1.00 0.00 N ATOM 682 CA ASP A 58 6.936 -14.149 6.073 1.00 0.00 C ATOM 683 C ASP A 58 8.248 -13.367 6.019 1.00 0.00 C ATOM 684 O ASP A 58 8.765 -13.082 4.939 1.00 0.00 O ATOM 685 CB ASP A 58 7.141 -15.478 6.805 1.00 0.00 C ATOM 686 CG ASP A 58 6.298 -15.580 8.061 1.00 0.00 C ATOM 687 OD1 ASP A 58 5.256 -14.897 8.136 1.00 0.00 O ATOM 688 OD2 ASP A 58 6.681 -16.347 8.971 1.00 0.00 O ATOM 0 H ASP A 58 7.139 -14.501 4.015 1.00 0.00 H new ATOM 0 HA ASP A 58 6.205 -13.555 6.621 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.892 -16.301 6.135 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.193 -15.587 7.067 1.00 0.00 H new ATOM 693 N PRO A 59 8.803 -13.008 7.188 1.00 0.00 N ATOM 694 CA PRO A 59 10.059 -12.253 7.274 1.00 0.00 C ATOM 695 C PRO A 59 11.260 -13.050 6.766 1.00 0.00 C ATOM 696 O PRO A 59 12.354 -12.504 6.615 1.00 0.00 O ATOM 697 CB PRO A 59 10.213 -11.958 8.774 1.00 0.00 C ATOM 698 CG PRO A 59 8.874 -12.237 9.375 1.00 0.00 C ATOM 699 CD PRO A 59 8.253 -13.301 8.520 1.00 0.00 C ATOM 0 HA PRO A 59 10.027 -11.358 6.653 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.983 -12.587 9.221 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.511 -10.923 8.942 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.972 -12.573 10.407 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.257 -11.338 9.389 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.523 -14.301 8.858 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.165 -13.244 8.530 1.00 0.00 H new ATOM 707 N ASN A 60 11.056 -14.339 6.507 1.00 0.00 N ATOM 708 CA ASN A 60 12.126 -15.209 6.021 1.00 0.00 C ATOM 709 C ASN A 60 12.918 -14.545 4.897 1.00 0.00 C ATOM 710 O ASN A 60 14.141 -14.671 4.830 1.00 0.00 O ATOM 711 CB ASN A 60 11.546 -16.537 5.535 1.00 0.00 C ATOM 712 CG ASN A 60 10.823 -17.290 6.635 1.00 0.00 C ATOM 713 OD1 ASN A 60 11.086 -17.084 7.820 1.00 0.00 O ATOM 714 ND2 ASN A 60 9.906 -18.168 6.247 1.00 0.00 N ATOM 0 H ASN A 60 10.157 -14.806 6.626 1.00 0.00 H new ATOM 0 HA ASN A 60 12.808 -15.394 6.851 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.856 -16.349 4.713 1.00 0.00 H new ATOM 0 HB3 ASN A 60 12.350 -17.159 5.141 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.387 -18.704 6.942 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.721 -18.306 5.254 1.00 0.00 H new ATOM 721 N TYR A 61 12.215 -13.841 4.017 1.00 0.00 N ATOM 722 CA TYR A 61 12.861 -13.159 2.900 1.00 0.00 C ATOM 723 C TYR A 61 12.979 -11.662 3.170 1.00 0.00 C ATOM 724 O TYR A 61 12.102 -11.064 3.794 1.00 0.00 O ATOM 725 CB TYR A 61 12.088 -13.409 1.598 1.00 0.00 C ATOM 726 CG TYR A 61 10.857 -12.545 1.425 1.00 0.00 C ATOM 727 CD1 TYR A 61 9.736 -12.726 2.223 1.00 0.00 C ATOM 728 CD2 TYR A 61 10.819 -11.548 0.457 1.00 0.00 C ATOM 729 CE1 TYR A 61 8.611 -11.939 2.064 1.00 0.00 C ATOM 730 CE2 TYR A 61 9.699 -10.758 0.292 1.00 0.00 C ATOM 731 CZ TYR A 61 8.599 -10.956 1.098 1.00 0.00 C ATOM 732 OH TYR A 61 7.481 -10.171 0.935 1.00 0.00 O ATOM 0 H TYR A 61 11.202 -13.727 4.054 1.00 0.00 H new ATOM 0 HA TYR A 61 13.867 -13.565 2.791 1.00 0.00 H new ATOM 0 HB2 TYR A 61 12.757 -13.240 0.754 1.00 0.00 H new ATOM 0 HB3 TYR A 61 11.789 -14.457 1.563 1.00 0.00 H new ATOM 0 HD1 TYR A 61 9.743 -13.495 2.981 1.00 0.00 H new ATOM 0 HD2 TYR A 61 11.679 -11.389 -0.176 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.747 -12.093 2.693 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.685 -9.988 -0.465 1.00 0.00 H new ATOM 0 HH TYR A 61 7.636 -9.526 0.213 1.00 0.00 H new ATOM 742 N TRP A 62 14.068 -11.060 2.698 1.00 0.00 N ATOM 743 CA TRP A 62 14.292 -9.634 2.894 1.00 0.00 C ATOM 744 C TRP A 62 13.423 -8.819 1.944 1.00 0.00 C ATOM 745 O TRP A 62 13.026 -9.303 0.881 1.00 0.00 O ATOM 746 CB TRP A 62 15.773 -9.287 2.685 1.00 0.00 C ATOM 747 CG TRP A 62 16.099 -8.837 1.290 1.00 0.00 C ATOM 748 CD1 TRP A 62 15.842 -9.513 0.133 1.00 0.00 C ATOM 749 CD2 TRP A 62 16.729 -7.611 0.905 1.00 0.00 C ATOM 750 NE1 TRP A 62 16.285 -8.792 -0.946 1.00 0.00 N ATOM 751 CE2 TRP A 62 16.834 -7.618 -0.499 1.00 0.00 C ATOM 752 CE3 TRP A 62 17.220 -6.509 1.609 1.00 0.00 C ATOM 753 CZ2 TRP A 62 17.405 -6.568 -1.212 1.00 0.00 C ATOM 754 CZ3 TRP A 62 17.788 -5.466 0.901 1.00 0.00 C ATOM 755 CH2 TRP A 62 17.875 -5.502 -0.495 1.00 0.00 C ATOM 0 H TRP A 62 14.805 -11.537 2.179 1.00 0.00 H new ATOM 0 HA TRP A 62 14.016 -9.384 3.919 1.00 0.00 H new ATOM 0 HB2 TRP A 62 16.055 -8.501 3.386 1.00 0.00 H new ATOM 0 HB3 TRP A 62 16.379 -10.161 2.926 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.359 -10.477 0.075 1.00 0.00 H new ATOM 0 HE1 TRP A 62 16.217 -9.082 -1.922 1.00 0.00 H new ATOM 0 HE3 TRP A 62 17.157 -6.472 2.687 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.474 -6.594 -2.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 18.171 -4.609 1.435 1.00 0.00 H new ATOM 0 HH2 TRP A 62 18.323 -4.670 -1.018 1.00 0.00 H new ATOM 766 N ILE A 63 13.143 -7.578 2.330 1.00 0.00 N ATOM 767 CA ILE A 63 12.335 -6.685 1.513 1.00 0.00 C ATOM 768 C ILE A 63 12.852 -5.252 1.599 1.00 0.00 C ATOM 769 O ILE A 63 12.740 -4.601 2.639 1.00 0.00 O ATOM 770 CB ILE A 63 10.852 -6.715 1.941 1.00 0.00 C ATOM 771 CG1 ILE A 63 10.294 -8.133 1.828 1.00 0.00 C ATOM 772 CG2 ILE A 63 10.029 -5.751 1.096 1.00 0.00 C ATOM 773 CD1 ILE A 63 8.934 -8.299 2.468 1.00 0.00 C ATOM 0 H ILE A 63 13.466 -7.169 3.207 1.00 0.00 H new ATOM 0 HA ILE A 63 12.411 -7.037 0.484 1.00 0.00 H new ATOM 0 HB ILE A 63 10.789 -6.398 2.982 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.227 -8.406 0.775 1.00 0.00 H new ATOM 0 HG13 ILE A 63 10.993 -8.828 2.293 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.987 -5.787 1.414 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.412 -4.738 1.223 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.099 -6.037 0.046 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.600 -9.330 2.350 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.999 -8.058 3.529 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.221 -7.629 1.987 1.00 0.00 H new ATOM 785 N GLN A 64 13.411 -4.765 0.497 1.00 0.00 N ATOM 786 CA GLN A 64 13.940 -3.408 0.441 1.00 0.00 C ATOM 787 C GLN A 64 13.029 -2.512 -0.391 1.00 0.00 C ATOM 788 O GLN A 64 13.007 -2.603 -1.618 1.00 0.00 O ATOM 789 CB GLN A 64 15.351 -3.413 -0.149 1.00 0.00 C ATOM 790 CG GLN A 64 16.342 -2.571 0.638 1.00 0.00 C ATOM 791 CD GLN A 64 17.459 -2.025 -0.231 1.00 0.00 C ATOM 792 OE1 GLN A 64 17.215 -1.483 -1.307 1.00 0.00 O ATOM 793 NE2 GLN A 64 18.694 -2.168 0.238 1.00 0.00 N ATOM 0 H GLN A 64 13.510 -5.291 -0.371 1.00 0.00 H new ATOM 0 HA GLN A 64 13.983 -3.014 1.456 1.00 0.00 H new ATOM 0 HB2 GLN A 64 15.714 -4.440 -0.193 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.308 -3.046 -1.174 1.00 0.00 H new ATOM 0 HG2 GLN A 64 15.815 -1.742 1.110 1.00 0.00 H new ATOM 0 HG3 GLN A 64 16.771 -3.174 1.439 1.00 0.00 H new ATOM 0 HE21 GLN A 64 18.848 -2.625 1.137 1.00 0.00 H new ATOM 0 HE22 GLN A 64 19.488 -1.821 -0.301 1.00 0.00 H new ATOM 802 N VAL A 65 12.276 -1.652 0.283 1.00 0.00 N ATOM 803 CA VAL A 65 11.359 -0.746 -0.398 1.00 0.00 C ATOM 804 C VAL A 65 12.084 0.502 -0.893 1.00 0.00 C ATOM 805 O VAL A 65 12.296 1.449 -0.135 1.00 0.00 O ATOM 806 CB VAL A 65 10.188 -0.317 0.512 1.00 0.00 C ATOM 807 CG1 VAL A 65 8.959 0.010 -0.323 1.00 0.00 C ATOM 808 CG2 VAL A 65 9.867 -1.396 1.537 1.00 0.00 C ATOM 0 H VAL A 65 12.282 -1.563 1.299 1.00 0.00 H new ATOM 0 HA VAL A 65 10.958 -1.297 -1.248 1.00 0.00 H new ATOM 0 HB VAL A 65 10.490 0.580 1.053 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.143 0.311 0.334 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.191 0.824 -1.009 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.661 -0.870 -0.892 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.039 -1.067 2.164 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.589 -2.316 1.022 1.00 0.00 H new ATOM 0 HG23 VAL A 65 10.743 -1.579 2.159 1.00 0.00 H new ATOM 818 N HIS A 66 12.462 0.495 -2.167 1.00 0.00 N ATOM 819 CA HIS A 66 13.164 1.626 -2.765 1.00 0.00 C ATOM 820 C HIS A 66 12.363 2.915 -2.605 1.00 0.00 C ATOM 821 O HIS A 66 12.697 3.769 -1.784 1.00 0.00 O ATOM 822 CB HIS A 66 13.432 1.361 -4.248 1.00 0.00 C ATOM 823 CG HIS A 66 14.668 0.554 -4.498 1.00 0.00 C ATOM 824 ND1 HIS A 66 15.938 1.092 -4.466 1.00 0.00 N ATOM 825 CD2 HIS A 66 14.827 -0.760 -4.782 1.00 0.00 C ATOM 826 CE1 HIS A 66 16.822 0.144 -4.723 1.00 0.00 C ATOM 827 NE2 HIS A 66 16.174 -0.988 -4.917 1.00 0.00 N ATOM 0 H HIS A 66 12.294 -0.282 -2.806 1.00 0.00 H new ATOM 0 HA HIS A 66 14.115 1.744 -2.245 1.00 0.00 H new ATOM 0 HB2 HIS A 66 12.575 0.841 -4.676 1.00 0.00 H new ATOM 0 HB3 HIS A 66 13.519 2.314 -4.769 1.00 0.00 H new ATOM 0 HD2 HIS A 66 14.040 -1.493 -4.884 1.00 0.00 H new ATOM 0 HE1 HIS A 66 17.893 0.274 -4.767 1.00 0.00 H new ATOM 0 HE2 HIS A 66 16.604 -1.887 -5.132 1.00 0.00 H new ATOM 836 N ARG A 67 11.305 3.047 -3.396 1.00 0.00 N ATOM 837 CA ARG A 67 10.451 4.229 -3.347 1.00 0.00 C ATOM 838 C ARG A 67 9.159 3.996 -4.124 1.00 0.00 C ATOM 839 O ARG A 67 8.964 2.934 -4.715 1.00 0.00 O ATOM 840 CB ARG A 67 11.191 5.443 -3.914 1.00 0.00 C ATOM 841 CG ARG A 67 11.857 5.179 -5.255 1.00 0.00 C ATOM 842 CD ARG A 67 12.269 6.476 -5.934 1.00 0.00 C ATOM 843 NE ARG A 67 12.766 6.250 -7.289 1.00 0.00 N ATOM 844 CZ ARG A 67 13.975 5.766 -7.565 1.00 0.00 C ATOM 845 NH1 ARG A 67 14.813 5.455 -6.584 1.00 0.00 N ATOM 846 NH2 ARG A 67 14.347 5.594 -8.825 1.00 0.00 N ATOM 0 H ARG A 67 11.017 2.348 -4.081 1.00 0.00 H new ATOM 0 HA ARG A 67 10.198 4.423 -2.305 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.487 6.268 -4.024 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.948 5.763 -3.198 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.734 4.548 -5.110 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.172 4.630 -5.901 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.416 7.154 -5.969 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.042 6.966 -5.341 1.00 0.00 H new ATOM 0 HE ARG A 67 12.150 6.476 -8.070 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.532 5.586 -5.612 1.00 0.00 H new ATOM 0 HH12 ARG A 67 15.738 5.085 -6.802 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.707 5.832 -9.583 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.273 5.223 -9.037 1.00 0.00 H new ATOM 860 N LEU A 68 8.279 4.994 -4.119 1.00 0.00 N ATOM 861 CA LEU A 68 7.007 4.888 -4.825 1.00 0.00 C ATOM 862 C LEU A 68 6.888 5.964 -5.899 1.00 0.00 C ATOM 863 O LEU A 68 7.544 7.003 -5.827 1.00 0.00 O ATOM 864 CB LEU A 68 5.836 5.000 -3.844 1.00 0.00 C ATOM 865 CG LEU A 68 6.072 4.366 -2.471 1.00 0.00 C ATOM 866 CD1 LEU A 68 5.222 5.053 -1.413 1.00 0.00 C ATOM 867 CD2 LEU A 68 5.771 2.876 -2.515 1.00 0.00 C ATOM 0 H LEU A 68 8.423 5.881 -3.636 1.00 0.00 H new ATOM 0 HA LEU A 68 6.973 3.911 -5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.600 6.055 -3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.959 4.535 -4.295 1.00 0.00 H new ATOM 0 HG LEU A 68 7.121 4.497 -2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.403 4.589 -0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.485 6.110 -1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.168 4.953 -1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.944 2.441 -1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.731 2.723 -2.802 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.423 2.395 -3.244 1.00 0.00 H new ATOM 879 N GLU A 69 6.048 5.708 -6.898 1.00 0.00 N ATOM 880 CA GLU A 69 5.845 6.655 -7.988 1.00 0.00 C ATOM 881 C GLU A 69 4.370 6.746 -8.364 1.00 0.00 C ATOM 882 O GLU A 69 3.633 5.763 -8.274 1.00 0.00 O ATOM 883 CB GLU A 69 6.671 6.244 -9.209 1.00 0.00 C ATOM 884 CG GLU A 69 7.364 7.408 -9.897 1.00 0.00 C ATOM 885 CD GLU A 69 8.770 7.063 -10.351 1.00 0.00 C ATOM 886 OE1 GLU A 69 9.693 7.116 -9.511 1.00 0.00 O ATOM 887 OE2 GLU A 69 8.946 6.739 -11.544 1.00 0.00 O ATOM 0 H GLU A 69 5.497 4.853 -6.974 1.00 0.00 H new ATOM 0 HA GLU A 69 6.175 7.637 -7.648 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.422 5.516 -8.901 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.019 5.745 -9.926 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.774 7.720 -10.759 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.404 8.257 -9.215 1.00 0.00 H new ATOM 894 N HIS A 70 3.943 7.933 -8.784 1.00 0.00 N ATOM 895 CA HIS A 70 2.554 8.152 -9.174 1.00 0.00 C ATOM 896 C HIS A 70 2.223 7.393 -10.454 1.00 0.00 C ATOM 897 O HIS A 70 1.395 6.482 -10.450 1.00 0.00 O ATOM 898 CB HIS A 70 2.287 9.647 -9.365 1.00 0.00 C ATOM 899 CG HIS A 70 1.595 10.284 -8.200 1.00 0.00 C ATOM 900 ND1 HIS A 70 0.271 10.051 -7.892 1.00 0.00 N ATOM 901 CD2 HIS A 70 2.050 11.153 -7.265 1.00 0.00 C ATOM 902 CE1 HIS A 70 -0.057 10.748 -6.818 1.00 0.00 C ATOM 903 NE2 HIS A 70 1.004 11.425 -6.420 1.00 0.00 N ATOM 0 H HIS A 70 4.538 8.757 -8.863 1.00 0.00 H new ATOM 0 HA HIS A 70 1.913 7.776 -8.377 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.234 10.158 -9.538 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.680 9.788 -10.259 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -0.357 9.437 -8.411 1.00 0.00 H new ATOM 0 HD2 HIS A 70 3.050 11.556 -7.198 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.028 10.761 -6.346 1.00 0.00 H new ATOM 0 HE2 HIS A 70 1.040 12.049 -5.614 1.00 0.00 H new ATOM 912 N GLY A 71 2.873 7.774 -11.549 1.00 0.00 N ATOM 913 CA GLY A 71 2.633 7.118 -12.821 1.00 0.00 C ATOM 914 C GLY A 71 3.559 7.615 -13.913 1.00 0.00 C ATOM 915 O GLY A 71 4.227 6.823 -14.577 1.00 0.00 O ATOM 0 H GLY A 71 3.562 8.526 -11.578 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.762 6.042 -12.702 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.599 7.284 -13.122 1.00 0.00 H new ATOM 919 N ASP A 72 3.598 8.929 -14.101 1.00 0.00 N ATOM 920 CA ASP A 72 4.450 9.532 -15.119 1.00 0.00 C ATOM 921 C ASP A 72 4.920 10.917 -14.684 1.00 0.00 C ATOM 922 O ASP A 72 5.081 11.817 -15.508 1.00 0.00 O ATOM 923 CB ASP A 72 3.698 9.626 -16.450 1.00 0.00 C ATOM 924 CG ASP A 72 4.452 8.964 -17.587 1.00 0.00 C ATOM 925 OD1 ASP A 72 4.818 7.778 -17.445 1.00 0.00 O ATOM 926 OD2 ASP A 72 4.675 9.630 -18.620 1.00 0.00 O ATOM 0 H ASP A 72 3.049 9.598 -13.561 1.00 0.00 H new ATOM 0 HA ASP A 72 5.327 8.897 -15.250 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.719 9.158 -16.345 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.525 10.674 -16.694 1.00 0.00 H new ATOM 931 N GLY A 73 5.137 11.079 -13.383 1.00 0.00 N ATOM 932 CA GLY A 73 5.585 12.355 -12.860 1.00 0.00 C ATOM 933 C GLY A 73 5.031 12.642 -11.478 1.00 0.00 C ATOM 934 O GLY A 73 4.188 13.525 -11.311 1.00 0.00 O ATOM 0 H GLY A 73 5.010 10.349 -12.682 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.674 12.366 -12.821 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.283 13.150 -13.542 1.00 0.00 H new ATOM 938 N GLY A 74 5.504 11.895 -10.486 1.00 0.00 N ATOM 939 CA GLY A 74 5.038 12.089 -9.127 1.00 0.00 C ATOM 940 C GLY A 74 5.653 11.098 -8.157 1.00 0.00 C ATOM 941 O GLY A 74 4.940 10.370 -7.467 1.00 0.00 O ATOM 0 H GLY A 74 6.201 11.159 -10.600 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.276 13.103 -8.806 1.00 0.00 H new ATOM 0 HA3 GLY A 74 3.953 11.993 -9.101 1.00 0.00 H new ATOM 945 N ILE A 75 6.981 11.069 -8.109 1.00 0.00 N ATOM 946 CA ILE A 75 7.693 10.159 -7.219 1.00 0.00 C ATOM 947 C ILE A 75 7.374 10.458 -5.759 1.00 0.00 C ATOM 948 O ILE A 75 7.040 11.589 -5.404 1.00 0.00 O ATOM 949 CB ILE A 75 9.216 10.241 -7.424 1.00 0.00 C ATOM 950 CG1 ILE A 75 9.555 10.215 -8.916 1.00 0.00 C ATOM 951 CG2 ILE A 75 9.907 9.098 -6.691 1.00 0.00 C ATOM 952 CD1 ILE A 75 11.042 10.206 -9.205 1.00 0.00 C ATOM 0 H ILE A 75 7.585 11.664 -8.675 1.00 0.00 H new ATOM 0 HA ILE A 75 7.356 9.152 -7.466 1.00 0.00 H new ATOM 0 HB ILE A 75 9.577 11.183 -7.010 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.101 9.332 -9.367 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.106 11.085 -9.396 1.00 0.00 H new ATOM 0 HG21 ILE A 75 10.984 9.166 -6.843 1.00 0.00 H new ATOM 0 HG22 ILE A 75 9.686 9.163 -5.626 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.546 8.146 -7.079 1.00 0.00 H new ATOM 0 HD11 ILE A 75 11.203 10.187 -10.283 1.00 0.00 H new ATOM 0 HD12 ILE A 75 11.500 11.102 -8.785 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.495 9.322 -8.755 1.00 0.00 H new ATOM 964 N LEU A 76 7.485 9.438 -4.917 1.00 0.00 N ATOM 965 CA LEU A 76 7.215 9.591 -3.492 1.00 0.00 C ATOM 966 C LEU A 76 8.367 9.040 -2.661 1.00 0.00 C ATOM 967 O LEU A 76 8.627 7.835 -2.659 1.00 0.00 O ATOM 968 CB LEU A 76 5.917 8.876 -3.111 1.00 0.00 C ATOM 969 CG LEU A 76 4.734 9.137 -4.046 1.00 0.00 C ATOM 970 CD1 LEU A 76 3.969 7.849 -4.310 1.00 0.00 C ATOM 971 CD2 LEU A 76 3.813 10.197 -3.461 1.00 0.00 C ATOM 0 H LEU A 76 7.760 8.496 -5.196 1.00 0.00 H new ATOM 0 HA LEU A 76 7.109 10.656 -3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.107 7.803 -3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.636 9.178 -2.102 1.00 0.00 H new ATOM 0 HG LEU A 76 5.121 9.507 -4.995 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.131 8.054 -4.977 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.633 7.120 -4.775 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.594 7.449 -3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.978 10.369 -4.140 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.433 9.857 -2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.367 11.126 -3.325 1.00 0.00 H new ATOM 983 N ASP A 77 9.047 9.931 -1.949 1.00 0.00 N ATOM 984 CA ASP A 77 10.165 9.539 -1.103 1.00 0.00 C ATOM 985 C ASP A 77 9.660 9.108 0.269 1.00 0.00 C ATOM 986 O ASP A 77 8.472 8.833 0.439 1.00 0.00 O ATOM 987 CB ASP A 77 11.157 10.700 -0.967 1.00 0.00 C ATOM 988 CG ASP A 77 12.531 10.351 -1.510 1.00 0.00 C ATOM 989 OD1 ASP A 77 12.678 10.277 -2.748 1.00 0.00 O ATOM 990 OD2 ASP A 77 13.458 10.155 -0.697 1.00 0.00 O ATOM 0 H ASP A 77 8.843 10.930 -1.942 1.00 0.00 H new ATOM 0 HA ASP A 77 10.678 8.696 -1.565 1.00 0.00 H new ATOM 0 HB2 ASP A 77 10.770 11.570 -1.497 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.244 10.979 0.083 1.00 0.00 H new ATOM 995 N LEU A 78 10.557 9.050 1.245 1.00 0.00 N ATOM 996 CA LEU A 78 10.182 8.650 2.596 1.00 0.00 C ATOM 997 C LEU A 78 10.336 9.816 3.568 1.00 0.00 C ATOM 998 O LEU A 78 10.727 9.630 4.719 1.00 0.00 O ATOM 999 CB LEU A 78 11.029 7.463 3.060 1.00 0.00 C ATOM 1000 CG LEU A 78 11.498 6.521 1.948 1.00 0.00 C ATOM 1001 CD1 LEU A 78 12.912 6.874 1.512 1.00 0.00 C ATOM 1002 CD2 LEU A 78 11.427 5.074 2.410 1.00 0.00 C ATOM 0 H LEU A 78 11.545 9.274 1.128 1.00 0.00 H new ATOM 0 HA LEU A 78 9.135 8.348 2.580 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.905 7.845 3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.452 6.886 3.783 1.00 0.00 H new ATOM 0 HG LEU A 78 10.834 6.641 1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 78 13.229 6.194 0.721 1.00 0.00 H new ATOM 0 HD12 LEU A 78 12.933 7.898 1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 78 13.588 6.782 2.362 1.00 0.00 H new ATOM 0 HD21 LEU A 78 11.764 4.419 1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.067 4.939 3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.399 4.826 2.673 1.00 0.00 H new ATOM 1014 N ASP A 79 10.025 11.020 3.093 1.00 0.00 N ATOM 1015 CA ASP A 79 10.128 12.216 3.917 1.00 0.00 C ATOM 1016 C ASP A 79 9.073 13.249 3.523 1.00 0.00 C ATOM 1017 O ASP A 79 9.268 14.451 3.713 1.00 0.00 O ATOM 1018 CB ASP A 79 11.525 12.825 3.792 1.00 0.00 C ATOM 1019 CG ASP A 79 11.836 13.274 2.376 1.00 0.00 C ATOM 1020 OD1 ASP A 79 11.433 14.397 2.008 1.00 0.00 O ATOM 1021 OD2 ASP A 79 12.482 12.503 1.636 1.00 0.00 O ATOM 0 H ASP A 79 9.700 11.190 2.141 1.00 0.00 H new ATOM 0 HA ASP A 79 9.953 11.927 4.953 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.609 13.677 4.467 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.267 12.093 4.109 1.00 0.00 H new ATOM 1026 N ASP A 80 7.957 12.777 2.975 1.00 0.00 N ATOM 1027 CA ASP A 80 6.877 13.665 2.557 1.00 0.00 C ATOM 1028 C ASP A 80 5.530 13.168 3.076 1.00 0.00 C ATOM 1029 O ASP A 80 5.217 11.982 2.985 1.00 0.00 O ATOM 1030 CB ASP A 80 6.842 13.774 1.031 1.00 0.00 C ATOM 1031 CG ASP A 80 7.558 15.011 0.525 1.00 0.00 C ATOM 1032 OD1 ASP A 80 8.805 15.040 0.581 1.00 0.00 O ATOM 1033 OD2 ASP A 80 6.872 15.951 0.071 1.00 0.00 O ATOM 0 H ASP A 80 7.777 11.787 2.810 1.00 0.00 H new ATOM 0 HA ASP A 80 7.066 14.651 2.981 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.302 12.887 0.595 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.806 13.794 0.694 1.00 0.00 H new ATOM 1038 N ILE A 81 4.738 14.086 3.623 1.00 0.00 N ATOM 1039 CA ILE A 81 3.428 13.746 4.160 1.00 0.00 C ATOM 1040 C ILE A 81 2.534 13.107 3.103 1.00 0.00 C ATOM 1041 O ILE A 81 2.741 13.286 1.902 1.00 0.00 O ATOM 1042 CB ILE A 81 2.741 14.994 4.745 1.00 0.00 C ATOM 1043 CG1 ILE A 81 3.497 15.447 5.987 1.00 0.00 C ATOM 1044 CG2 ILE A 81 1.280 14.713 5.083 1.00 0.00 C ATOM 1045 CD1 ILE A 81 3.437 14.439 7.113 1.00 0.00 C ATOM 0 H ILE A 81 4.983 15.073 3.705 1.00 0.00 H new ATOM 0 HA ILE A 81 3.583 13.017 4.956 1.00 0.00 H new ATOM 0 HB ILE A 81 2.758 15.787 3.997 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.539 15.630 5.725 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.084 16.395 6.332 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.822 15.613 5.494 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.748 14.415 4.179 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.225 13.910 5.818 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.994 14.818 7.970 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.398 14.274 7.399 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.876 13.498 6.782 1.00 0.00 H new ATOM 1057 N LEU A 82 1.544 12.352 3.566 1.00 0.00 N ATOM 1058 CA LEU A 82 0.616 11.670 2.676 1.00 0.00 C ATOM 1059 C LEU A 82 -0.173 12.658 1.822 1.00 0.00 C ATOM 1060 O LEU A 82 -0.167 12.577 0.595 1.00 0.00 O ATOM 1061 CB LEU A 82 -0.345 10.794 3.483 1.00 0.00 C ATOM 1062 CG LEU A 82 -0.564 9.386 2.926 1.00 0.00 C ATOM 1063 CD1 LEU A 82 -0.950 9.443 1.456 1.00 0.00 C ATOM 1064 CD2 LEU A 82 0.685 8.538 3.120 1.00 0.00 C ATOM 0 H LEU A 82 1.364 12.197 4.558 1.00 0.00 H new ATOM 0 HA LEU A 82 1.203 11.041 2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.033 10.710 4.502 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.309 11.299 3.542 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.384 8.923 3.475 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.101 8.431 1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.872 10.013 1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.154 9.926 0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.513 7.539 2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.523 9.000 2.598 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.915 8.467 4.183 1.00 0.00 H new ATOM 1076 N CYS A 83 -0.859 13.588 2.478 1.00 0.00 N ATOM 1077 CA CYS A 83 -1.660 14.587 1.776 1.00 0.00 C ATOM 1078 C CYS A 83 -0.785 15.612 1.053 1.00 0.00 C ATOM 1079 O CYS A 83 -1.291 16.448 0.307 1.00 0.00 O ATOM 1080 CB CYS A 83 -2.588 15.305 2.758 1.00 0.00 C ATOM 1081 SG CYS A 83 -3.572 14.195 3.791 1.00 0.00 S ATOM 0 H CYS A 83 -0.877 13.672 3.494 1.00 0.00 H new ATOM 0 HA CYS A 83 -2.253 14.062 1.027 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -1.989 15.948 3.403 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -3.261 15.954 2.197 1.00 0.00 H new ATOM 0 HG CYS A 83 -3.921 13.152 3.098 1.00 0.00 H new ATOM 1087 N ASP A 84 0.525 15.551 1.281 1.00 0.00 N ATOM 1088 CA ASP A 84 1.450 16.486 0.650 1.00 0.00 C ATOM 1089 C ASP A 84 1.929 15.970 -0.705 1.00 0.00 C ATOM 1090 O ASP A 84 2.107 16.747 -1.644 1.00 0.00 O ATOM 1091 CB ASP A 84 2.650 16.740 1.563 1.00 0.00 C ATOM 1092 CG ASP A 84 3.541 17.853 1.047 1.00 0.00 C ATOM 1093 OD1 ASP A 84 4.398 17.574 0.182 1.00 0.00 O ATOM 1094 OD2 ASP A 84 3.382 19.003 1.508 1.00 0.00 O ATOM 0 H ASP A 84 0.967 14.867 1.895 1.00 0.00 H new ATOM 0 HA ASP A 84 0.915 17.422 0.486 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.296 16.995 2.562 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.233 15.824 1.656 1.00 0.00 H new ATOM 1099 N VAL A 85 2.145 14.661 -0.802 1.00 0.00 N ATOM 1100 CA VAL A 85 2.614 14.061 -2.048 1.00 0.00 C ATOM 1101 C VAL A 85 1.578 13.117 -2.650 1.00 0.00 C ATOM 1102 O VAL A 85 1.498 12.970 -3.869 1.00 0.00 O ATOM 1103 CB VAL A 85 3.930 13.289 -1.837 1.00 0.00 C ATOM 1104 CG1 VAL A 85 5.089 14.252 -1.640 1.00 0.00 C ATOM 1105 CG2 VAL A 85 3.810 12.340 -0.654 1.00 0.00 C ATOM 0 H VAL A 85 2.004 13.999 -0.039 1.00 0.00 H new ATOM 0 HA VAL A 85 2.784 14.886 -2.740 1.00 0.00 H new ATOM 0 HB VAL A 85 4.128 12.696 -2.730 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.010 13.688 -1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.189 14.886 -2.521 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.901 14.874 -0.765 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.750 11.804 -0.521 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.586 12.910 0.248 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.008 11.626 -0.840 1.00 0.00 H new ATOM 1115 N ALA A 86 0.790 12.476 -1.796 1.00 0.00 N ATOM 1116 CA ALA A 86 -0.233 11.545 -2.256 1.00 0.00 C ATOM 1117 C ALA A 86 -1.597 12.221 -2.340 1.00 0.00 C ATOM 1118 O ALA A 86 -1.756 13.373 -1.938 1.00 0.00 O ATOM 1119 CB ALA A 86 -0.293 10.334 -1.337 1.00 0.00 C ATOM 0 H ALA A 86 0.839 12.583 -0.783 1.00 0.00 H new ATOM 0 HA ALA A 86 0.036 11.213 -3.259 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.061 9.646 -1.691 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.673 9.830 -1.336 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.535 10.657 -0.324 1.00 0.00 H new ATOM 1125 N ASP A 87 -2.580 11.495 -2.865 1.00 0.00 N ATOM 1126 CA ASP A 87 -3.932 12.023 -2.999 1.00 0.00 C ATOM 1127 C ASP A 87 -4.968 10.947 -2.688 1.00 0.00 C ATOM 1128 O ASP A 87 -4.703 9.754 -2.842 1.00 0.00 O ATOM 1129 CB ASP A 87 -4.149 12.570 -4.413 1.00 0.00 C ATOM 1130 CG ASP A 87 -4.245 14.082 -4.437 1.00 0.00 C ATOM 1131 OD1 ASP A 87 -3.269 14.746 -4.029 1.00 0.00 O ATOM 1132 OD2 ASP A 87 -5.297 14.604 -4.865 1.00 0.00 O ATOM 0 H ASP A 87 -2.465 10.540 -3.204 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.054 12.835 -2.282 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.327 12.250 -5.054 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.062 12.144 -4.829 1.00 0.00 H new ATOM 1137 N ASP A 88 -6.147 11.376 -2.253 1.00 0.00 N ATOM 1138 CA ASP A 88 -7.223 10.448 -1.919 1.00 0.00 C ATOM 1139 C ASP A 88 -7.609 9.603 -3.129 1.00 0.00 C ATOM 1140 O ASP A 88 -7.916 10.132 -4.196 1.00 0.00 O ATOM 1141 CB ASP A 88 -8.444 11.215 -1.407 1.00 0.00 C ATOM 1142 CG ASP A 88 -8.115 12.092 -0.214 1.00 0.00 C ATOM 1143 OD1 ASP A 88 -8.091 11.568 0.920 1.00 0.00 O ATOM 1144 OD2 ASP A 88 -7.882 13.303 -0.414 1.00 0.00 O ATOM 0 H ASP A 88 -6.383 12.360 -2.123 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.865 9.782 -1.134 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.845 11.834 -2.210 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.225 10.507 -1.130 1.00 0.00 H new ATOM 1149 N LYS A 89 -7.590 8.286 -2.953 1.00 0.00 N ATOM 1150 CA LYS A 89 -7.937 7.364 -4.030 1.00 0.00 C ATOM 1151 C LYS A 89 -7.031 7.577 -5.241 1.00 0.00 C ATOM 1152 O LYS A 89 -7.465 8.085 -6.274 1.00 0.00 O ATOM 1153 CB LYS A 89 -9.407 7.543 -4.427 1.00 0.00 C ATOM 1154 CG LYS A 89 -10.247 6.293 -4.224 1.00 0.00 C ATOM 1155 CD LYS A 89 -10.287 5.436 -5.480 1.00 0.00 C ATOM 1156 CE LYS A 89 -9.498 4.147 -5.303 1.00 0.00 C ATOM 1157 NZ LYS A 89 -8.115 4.265 -5.836 1.00 0.00 N ATOM 0 H LYS A 89 -7.338 7.832 -2.075 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.790 6.346 -3.670 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.836 8.358 -3.844 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.459 7.839 -5.475 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.840 5.710 -3.398 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -11.261 6.577 -3.944 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.322 5.199 -5.727 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.880 6.000 -6.319 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.458 3.888 -4.245 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -10.015 3.333 -5.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.710 3.316 -5.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.137 4.758 -6.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.530 4.804 -5.166 1.00 0.00 H new ATOM 1171 N ASP A 90 -5.768 7.186 -5.105 1.00 0.00 N ATOM 1172 CA ASP A 90 -4.804 7.336 -6.188 1.00 0.00 C ATOM 1173 C ASP A 90 -3.984 6.064 -6.373 1.00 0.00 C ATOM 1174 O ASP A 90 -3.856 5.254 -5.454 1.00 0.00 O ATOM 1175 CB ASP A 90 -3.873 8.519 -5.912 1.00 0.00 C ATOM 1176 CG ASP A 90 -3.156 8.994 -7.160 1.00 0.00 C ATOM 1177 OD1 ASP A 90 -3.720 9.847 -7.879 1.00 0.00 O ATOM 1178 OD2 ASP A 90 -2.033 8.513 -7.421 1.00 0.00 O ATOM 0 H ASP A 90 -5.389 6.764 -4.257 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.359 7.524 -7.107 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.451 9.343 -5.493 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.137 8.231 -5.161 1.00 0.00 H new ATOM 1183 N ARG A 91 -3.426 5.896 -7.569 1.00 0.00 N ATOM 1184 CA ARG A 91 -2.614 4.726 -7.880 1.00 0.00 C ATOM 1185 C ARG A 91 -1.131 5.083 -7.859 1.00 0.00 C ATOM 1186 O ARG A 91 -0.713 6.071 -8.462 1.00 0.00 O ATOM 1187 CB ARG A 91 -3.000 4.161 -9.250 1.00 0.00 C ATOM 1188 CG ARG A 91 -3.535 2.738 -9.194 1.00 0.00 C ATOM 1189 CD ARG A 91 -5.038 2.698 -9.421 1.00 0.00 C ATOM 1190 NE ARG A 91 -5.642 1.486 -8.874 1.00 0.00 N ATOM 1191 CZ ARG A 91 -5.470 0.272 -9.391 1.00 0.00 C ATOM 1192 NH1 ARG A 91 -4.715 0.102 -10.469 1.00 0.00 N ATOM 1193 NH2 ARG A 91 -6.056 -0.777 -8.829 1.00 0.00 N ATOM 0 H ARG A 91 -3.522 6.558 -8.339 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.799 3.966 -7.121 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.754 4.806 -9.700 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.128 4.187 -9.903 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -3.036 2.131 -9.949 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.301 2.298 -8.225 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.498 3.572 -8.960 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.245 2.756 -10.490 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.231 1.575 -8.046 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -4.262 0.905 -10.906 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -4.587 -0.831 -10.860 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.638 -0.653 -8.001 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -5.924 -1.708 -9.225 1.00 0.00 H new ATOM 1207 N LEU A 92 -0.341 4.279 -7.157 1.00 0.00 N ATOM 1208 CA LEU A 92 1.092 4.520 -7.057 1.00 0.00 C ATOM 1209 C LEU A 92 1.883 3.220 -7.167 1.00 0.00 C ATOM 1210 O LEU A 92 1.564 2.230 -6.507 1.00 0.00 O ATOM 1211 CB LEU A 92 1.421 5.215 -5.734 1.00 0.00 C ATOM 1212 CG LEU A 92 0.520 6.400 -5.383 1.00 0.00 C ATOM 1213 CD1 LEU A 92 0.453 6.592 -3.877 1.00 0.00 C ATOM 1214 CD2 LEU A 92 1.018 7.666 -6.064 1.00 0.00 C ATOM 0 H LEU A 92 -0.668 3.457 -6.650 1.00 0.00 H new ATOM 0 HA LEU A 92 1.379 5.166 -7.887 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.359 4.481 -4.931 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.454 5.562 -5.770 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.486 6.188 -5.745 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.193 7.440 -3.647 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.050 5.692 -3.413 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.454 6.782 -3.490 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.366 8.500 -5.804 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.033 7.882 -5.732 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.012 7.524 -7.145 1.00 0.00 H new ATOM 1226 N VAL A 93 2.920 3.235 -7.996 1.00 0.00 N ATOM 1227 CA VAL A 93 3.762 2.066 -8.187 1.00 0.00 C ATOM 1228 C VAL A 93 4.812 1.980 -7.084 1.00 0.00 C ATOM 1229 O VAL A 93 5.445 2.977 -6.739 1.00 0.00 O ATOM 1230 CB VAL A 93 4.468 2.100 -9.553 1.00 0.00 C ATOM 1231 CG1 VAL A 93 3.494 1.753 -10.668 1.00 0.00 C ATOM 1232 CG2 VAL A 93 5.106 3.460 -9.797 1.00 0.00 C ATOM 0 H VAL A 93 3.196 4.048 -8.547 1.00 0.00 H new ATOM 0 HA VAL A 93 3.115 1.189 -8.149 1.00 0.00 H new ATOM 0 HB VAL A 93 5.260 1.351 -9.547 1.00 0.00 H new ATOM 0 HG11 VAL A 93 4.013 1.782 -11.626 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.093 0.753 -10.503 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.677 2.475 -10.675 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.600 3.461 -10.769 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.336 4.231 -9.780 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.840 3.663 -9.017 1.00 0.00 H new ATOM 1242 N ALA A 94 4.985 0.787 -6.526 1.00 0.00 N ATOM 1243 CA ALA A 94 5.950 0.583 -5.453 1.00 0.00 C ATOM 1244 C ALA A 94 7.144 -0.246 -5.916 1.00 0.00 C ATOM 1245 O ALA A 94 7.001 -1.414 -6.281 1.00 0.00 O ATOM 1246 CB ALA A 94 5.276 -0.078 -4.260 1.00 0.00 C ATOM 0 H ALA A 94 4.471 -0.051 -6.798 1.00 0.00 H new ATOM 0 HA ALA A 94 6.327 1.561 -5.155 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.007 -0.225 -3.465 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.470 0.560 -3.898 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.868 -1.043 -4.561 1.00 0.00 H new ATOM 1252 N VAL A 95 8.324 0.366 -5.883 1.00 0.00 N ATOM 1253 CA VAL A 95 9.553 -0.311 -6.279 1.00 0.00 C ATOM 1254 C VAL A 95 10.280 -0.849 -5.053 1.00 0.00 C ATOM 1255 O VAL A 95 10.531 -0.113 -4.097 1.00 0.00 O ATOM 1256 CB VAL A 95 10.495 0.633 -7.052 1.00 0.00 C ATOM 1257 CG1 VAL A 95 11.687 -0.135 -7.603 1.00 0.00 C ATOM 1258 CG2 VAL A 95 9.743 1.340 -8.170 1.00 0.00 C ATOM 0 H VAL A 95 8.454 1.333 -5.585 1.00 0.00 H new ATOM 0 HA VAL A 95 9.273 -1.136 -6.934 1.00 0.00 H new ATOM 0 HB VAL A 95 10.868 1.390 -6.362 1.00 0.00 H new ATOM 0 HG11 VAL A 95 12.341 0.548 -8.146 1.00 0.00 H new ATOM 0 HG12 VAL A 95 12.239 -0.589 -6.780 1.00 0.00 H new ATOM 0 HG13 VAL A 95 11.336 -0.915 -8.279 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.424 2.002 -8.705 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.339 0.600 -8.861 1.00 0.00 H new ATOM 0 HG23 VAL A 95 8.927 1.925 -7.746 1.00 0.00 H new ATOM 1268 N PHE A 96 10.606 -2.134 -5.074 1.00 0.00 N ATOM 1269 CA PHE A 96 11.292 -2.756 -3.949 1.00 0.00 C ATOM 1270 C PHE A 96 11.973 -4.058 -4.354 1.00 0.00 C ATOM 1271 O PHE A 96 11.828 -4.528 -5.484 1.00 0.00 O ATOM 1272 CB PHE A 96 10.300 -3.012 -2.806 1.00 0.00 C ATOM 1273 CG PHE A 96 9.403 -4.208 -3.007 1.00 0.00 C ATOM 1274 CD1 PHE A 96 9.050 -4.636 -4.279 1.00 0.00 C ATOM 1275 CD2 PHE A 96 8.911 -4.904 -1.913 1.00 0.00 C ATOM 1276 CE1 PHE A 96 8.226 -5.732 -4.453 1.00 0.00 C ATOM 1277 CE2 PHE A 96 8.089 -5.999 -2.082 1.00 0.00 C ATOM 1278 CZ PHE A 96 7.746 -6.414 -3.355 1.00 0.00 C ATOM 0 H PHE A 96 10.408 -2.763 -5.852 1.00 0.00 H new ATOM 0 HA PHE A 96 12.067 -2.069 -3.610 1.00 0.00 H new ATOM 0 HB2 PHE A 96 10.860 -3.146 -1.880 1.00 0.00 H new ATOM 0 HB3 PHE A 96 9.678 -2.126 -2.677 1.00 0.00 H new ATOM 0 HD1 PHE A 96 9.423 -4.107 -5.143 1.00 0.00 H new ATOM 0 HD2 PHE A 96 9.175 -4.585 -0.916 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.958 -6.054 -5.449 1.00 0.00 H new ATOM 0 HE2 PHE A 96 7.714 -6.531 -1.220 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.103 -7.271 -3.489 1.00 0.00 H new ATOM 1288 N ASP A 97 12.713 -4.636 -3.414 1.00 0.00 N ATOM 1289 CA ASP A 97 13.417 -5.888 -3.651 1.00 0.00 C ATOM 1290 C ASP A 97 12.903 -6.969 -2.707 1.00 0.00 C ATOM 1291 O ASP A 97 12.337 -6.667 -1.656 1.00 0.00 O ATOM 1292 CB ASP A 97 14.923 -5.694 -3.452 1.00 0.00 C ATOM 1293 CG ASP A 97 15.697 -5.807 -4.752 1.00 0.00 C ATOM 1294 OD1 ASP A 97 15.865 -4.774 -5.435 1.00 0.00 O ATOM 1295 OD2 ASP A 97 16.133 -6.928 -5.087 1.00 0.00 O ATOM 0 H ASP A 97 12.840 -4.254 -2.477 1.00 0.00 H new ATOM 0 HA ASP A 97 13.234 -6.201 -4.679 1.00 0.00 H new ATOM 0 HB2 ASP A 97 15.105 -4.715 -3.008 1.00 0.00 H new ATOM 0 HB3 ASP A 97 15.292 -6.438 -2.746 1.00 0.00 H new ATOM 1300 N GLU A 98 13.100 -8.227 -3.084 1.00 0.00 N ATOM 1301 CA GLU A 98 12.652 -9.346 -2.263 1.00 0.00 C ATOM 1302 C GLU A 98 13.475 -10.596 -2.546 1.00 0.00 C ATOM 1303 O GLU A 98 13.731 -10.932 -3.701 1.00 0.00 O ATOM 1304 CB GLU A 98 11.170 -9.630 -2.516 1.00 0.00 C ATOM 1305 CG GLU A 98 10.833 -9.858 -3.981 1.00 0.00 C ATOM 1306 CD GLU A 98 9.341 -9.873 -4.241 1.00 0.00 C ATOM 1307 OE1 GLU A 98 8.712 -10.931 -4.028 1.00 0.00 O ATOM 1308 OE2 GLU A 98 8.799 -8.827 -4.657 1.00 0.00 O ATOM 0 H GLU A 98 13.566 -8.497 -3.950 1.00 0.00 H new ATOM 0 HA GLU A 98 12.791 -9.073 -1.217 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.875 -10.509 -1.943 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.580 -8.793 -2.142 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.295 -9.075 -4.582 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.264 -10.805 -4.306 1.00 0.00 H new ATOM 1315 N GLN A 99 13.888 -11.285 -1.485 1.00 0.00 N ATOM 1316 CA GLN A 99 14.681 -12.502 -1.638 1.00 0.00 C ATOM 1317 C GLN A 99 13.816 -13.746 -1.451 1.00 0.00 C ATOM 1318 O GLN A 99 13.997 -14.505 -0.497 1.00 0.00 O ATOM 1319 CB GLN A 99 15.852 -12.522 -0.650 1.00 0.00 C ATOM 1320 CG GLN A 99 16.698 -13.785 -0.724 1.00 0.00 C ATOM 1321 CD GLN A 99 17.172 -14.248 0.640 1.00 0.00 C ATOM 1322 OE1 GLN A 99 16.901 -15.375 1.055 1.00 0.00 O ATOM 1323 NE2 GLN A 99 17.887 -13.379 1.344 1.00 0.00 N ATOM 0 H GLN A 99 13.689 -11.025 -0.519 1.00 0.00 H new ATOM 0 HA GLN A 99 15.082 -12.508 -2.651 1.00 0.00 H new ATOM 0 HB2 GLN A 99 16.489 -11.658 -0.839 1.00 0.00 H new ATOM 0 HB3 GLN A 99 15.463 -12.416 0.362 1.00 0.00 H new ATOM 0 HG2 GLN A 99 16.118 -14.580 -1.192 1.00 0.00 H new ATOM 0 HG3 GLN A 99 17.562 -13.602 -1.363 1.00 0.00 H new ATOM 0 HE21 GLN A 99 18.088 -12.455 0.961 1.00 0.00 H new ATOM 0 HE22 GLN A 99 18.235 -13.635 2.268 1.00 0.00 H new ATOM 1332 N ASP A 100 12.877 -13.950 -2.368 1.00 0.00 N ATOM 1333 CA ASP A 100 11.986 -15.103 -2.305 1.00 0.00 C ATOM 1334 C ASP A 100 11.571 -15.548 -3.702 1.00 0.00 C ATOM 1335 O ASP A 100 11.281 -16.750 -3.878 1.00 0.00 O ATOM 1336 CB ASP A 100 10.746 -14.770 -1.473 1.00 0.00 C ATOM 1337 CG ASP A 100 10.292 -15.939 -0.622 1.00 0.00 C ATOM 1338 OD1 ASP A 100 11.144 -16.542 0.062 1.00 0.00 O ATOM 1339 OD2 ASP A 100 9.082 -16.253 -0.643 1.00 0.00 O ATOM 1340 OXT ASP A 100 11.539 -14.692 -4.612 1.00 0.00 O ATOM 0 H ASP A 100 12.713 -13.333 -3.163 1.00 0.00 H new ATOM 0 HA ASP A 100 12.526 -15.922 -1.829 1.00 0.00 H new ATOM 0 HB2 ASP A 100 10.962 -13.917 -0.829 1.00 0.00 H new ATOM 0 HB3 ASP A 100 9.935 -14.471 -2.137 1.00 0.00 H new TER 1345 ASP A 100