USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 432 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 23 LYS NZ :NH3+ -136:sc= -0.238 (180deg=-0.276) USER MOD Set 1.2: A 32 ASN : amide:sc= -4.93! C(o=-5.2!,f=-4.7!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 17 LYS NZ :NH3+ -112:sc= 0.413 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0.158 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc=-0.000806 USER MOD Single : A 33 THR OG1 : rot 114:sc= 0.99 USER MOD Single : A 39 ASN : amide:sc= -0.196 K(o=-0.2,f=-3.5!) USER MOD Single : A 42 CYS SG : rot 43:sc= -0.972 USER MOD Single : A 51 ASN : amide:sc= -1.17 X(o=-1.2,f=-0.87) USER MOD Single : A 52 SER OG : rot 66:sc= 1.16 USER MOD Single : B 5 GLN : amide:sc= -3.55! C(o=-3.5!,f=-9.2!) USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N PHE A 3 6.400 3.157 -2.330 1.00 0.00 N ATOM 26 CA PHE A 3 6.900 4.538 -2.424 1.00 0.00 C ATOM 27 C PHE A 3 8.222 4.547 -3.206 1.00 0.00 C ATOM 28 O PHE A 3 9.228 4.017 -2.736 1.00 0.00 O ATOM 29 CB PHE A 3 7.099 5.117 -0.994 1.00 0.00 C ATOM 30 CG PHE A 3 5.907 4.937 -0.063 1.00 0.00 C ATOM 31 CD1 PHE A 3 4.861 5.854 -0.052 1.00 0.00 C ATOM 32 CD2 PHE A 3 5.836 3.849 0.809 1.00 0.00 C ATOM 33 CE1 PHE A 3 3.786 5.693 0.802 1.00 0.00 C ATOM 34 CE2 PHE A 3 4.763 3.688 1.662 1.00 0.00 C ATOM 35 CZ PHE A 3 3.735 4.611 1.657 1.00 0.00 C ATOM 0 HA PHE A 3 6.178 5.161 -2.951 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.970 4.642 -0.543 1.00 0.00 H new ATOM 0 HB3 PHE A 3 7.322 6.181 -1.075 1.00 0.00 H new ATOM 0 HD1 PHE A 3 4.889 6.703 -0.719 1.00 0.00 H new ATOM 0 HD2 PHE A 3 6.634 3.121 0.816 1.00 0.00 H new ATOM 0 HE1 PHE A 3 2.984 6.416 0.800 1.00 0.00 H new ATOM 0 HE2 PHE A 3 4.727 2.842 2.332 1.00 0.00 H new ATOM 0 HZ PHE A 3 2.893 4.486 2.321 1.00 0.00 H new ATOM 45 N VAL A 4 8.209 5.160 -4.395 1.00 0.00 N ATOM 46 CA VAL A 4 9.390 5.223 -5.271 1.00 0.00 C ATOM 47 C VAL A 4 10.300 6.378 -4.845 1.00 0.00 C ATOM 48 O VAL A 4 9.821 7.469 -4.520 1.00 0.00 O ATOM 49 CB VAL A 4 8.986 5.347 -6.790 1.00 0.00 C ATOM 50 CG1 VAL A 4 8.338 4.037 -7.290 1.00 0.00 C ATOM 51 CG2 VAL A 4 8.047 6.555 -7.040 1.00 0.00 C ATOM 0 H VAL A 4 7.386 5.625 -4.778 1.00 0.00 H new ATOM 0 HA VAL A 4 9.939 4.288 -5.165 1.00 0.00 H new ATOM 0 HB VAL A 4 9.899 5.522 -7.358 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.066 4.143 -8.340 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.046 3.216 -7.179 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.444 3.827 -6.704 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.792 6.605 -8.099 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.136 6.436 -6.453 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.551 7.475 -6.744 1.00 0.00 H new ATOM 61 N VAL A 5 11.613 6.111 -4.810 1.00 0.00 N ATOM 62 CA VAL A 5 12.644 7.095 -4.426 1.00 0.00 C ATOM 63 C VAL A 5 13.593 7.360 -5.610 1.00 0.00 C ATOM 64 O VAL A 5 14.093 6.429 -6.249 1.00 0.00 O ATOM 65 CB VAL A 5 13.426 6.650 -3.124 1.00 0.00 C ATOM 66 CG1 VAL A 5 13.839 5.162 -3.175 1.00 0.00 C ATOM 67 CG2 VAL A 5 14.643 7.576 -2.832 1.00 0.00 C ATOM 0 H VAL A 5 11.997 5.197 -5.049 1.00 0.00 H new ATOM 0 HA VAL A 5 12.147 8.032 -4.177 1.00 0.00 H new ATOM 0 HB VAL A 5 12.733 6.759 -2.290 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.373 4.901 -2.261 1.00 0.00 H new ATOM 0 HG12 VAL A 5 12.948 4.540 -3.265 1.00 0.00 H new ATOM 0 HG13 VAL A 5 14.488 4.994 -4.035 1.00 0.00 H new ATOM 0 HG21 VAL A 5 15.151 7.235 -1.930 1.00 0.00 H new ATOM 0 HG22 VAL A 5 15.335 7.543 -3.673 1.00 0.00 H new ATOM 0 HG23 VAL A 5 14.295 8.599 -2.688 1.00 0.00 H new ATOM 77 N GLU A 6 13.788 8.657 -5.900 1.00 0.00 N ATOM 78 CA GLU A 6 14.650 9.145 -6.981 1.00 0.00 C ATOM 79 C GLU A 6 16.132 8.902 -6.644 1.00 0.00 C ATOM 80 O GLU A 6 16.855 8.252 -7.416 1.00 0.00 O ATOM 81 CB GLU A 6 14.399 10.660 -7.208 1.00 0.00 C ATOM 82 CG GLU A 6 15.166 11.270 -8.396 1.00 0.00 C ATOM 83 CD GLU A 6 15.167 12.808 -8.382 1.00 0.00 C ATOM 84 OE1 GLU A 6 15.982 13.396 -7.634 1.00 0.00 O ATOM 85 OE2 GLU A 6 14.366 13.429 -9.115 1.00 0.00 O ATOM 0 H GLU A 6 13.340 9.409 -5.376 1.00 0.00 H new ATOM 0 HA GLU A 6 14.410 8.599 -7.893 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.332 10.818 -7.363 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.673 11.199 -6.301 1.00 0.00 H new ATOM 0 HG2 GLU A 6 16.195 10.911 -8.380 1.00 0.00 H new ATOM 0 HG3 GLU A 6 14.721 10.921 -9.327 1.00 0.00 H new ATOM 92 N LYS A 7 16.575 9.443 -5.481 1.00 0.00 N ATOM 93 CA LYS A 7 17.975 9.325 -5.020 1.00 0.00 C ATOM 94 C LYS A 7 18.084 9.453 -3.490 1.00 0.00 C ATOM 95 O LYS A 7 17.175 9.961 -2.826 1.00 0.00 O ATOM 96 CB LYS A 7 18.892 10.386 -5.699 1.00 0.00 C ATOM 97 CG LYS A 7 18.555 11.863 -5.365 1.00 0.00 C ATOM 98 CD LYS A 7 19.664 12.854 -5.814 1.00 0.00 C ATOM 99 CE LYS A 7 21.014 12.602 -5.106 1.00 0.00 C ATOM 100 NZ LYS A 7 22.052 13.593 -5.484 1.00 0.00 N ATOM 0 H LYS A 7 15.975 9.968 -4.844 1.00 0.00 H new ATOM 0 HA LYS A 7 18.314 8.331 -5.310 1.00 0.00 H new ATOM 0 HB2 LYS A 7 19.924 10.191 -5.407 1.00 0.00 H new ATOM 0 HB3 LYS A 7 18.836 10.253 -6.779 1.00 0.00 H new ATOM 0 HG2 LYS A 7 17.616 12.134 -5.848 1.00 0.00 H new ATOM 0 HG3 LYS A 7 18.401 11.961 -4.290 1.00 0.00 H new ATOM 0 HD2 LYS A 7 19.803 12.772 -6.892 1.00 0.00 H new ATOM 0 HD3 LYS A 7 19.337 13.874 -5.611 1.00 0.00 H new ATOM 0 HE2 LYS A 7 20.865 12.632 -4.027 1.00 0.00 H new ATOM 0 HE3 LYS A 7 21.367 11.600 -5.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 22.937 13.378 -4.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 22.217 13.549 -6.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 21.731 14.548 -5.226 1.00 0.00 H new ATOM 114 N VAL A 8 19.219 8.976 -2.953 1.00 0.00 N ATOM 115 CA VAL A 8 19.624 9.211 -1.557 1.00 0.00 C ATOM 116 C VAL A 8 20.427 10.526 -1.487 1.00 0.00 C ATOM 117 O VAL A 8 21.297 10.782 -2.329 1.00 0.00 O ATOM 118 CB VAL A 8 20.473 8.011 -0.993 1.00 0.00 C ATOM 119 CG1 VAL A 8 21.085 8.348 0.392 1.00 0.00 C ATOM 120 CG2 VAL A 8 19.621 6.710 -0.933 1.00 0.00 C ATOM 0 H VAL A 8 19.886 8.412 -3.479 1.00 0.00 H new ATOM 0 HA VAL A 8 18.731 9.290 -0.937 1.00 0.00 H new ATOM 0 HB VAL A 8 21.302 7.839 -1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 8 21.664 7.497 0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 8 21.736 9.217 0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 8 20.285 8.567 1.100 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.229 5.895 -0.540 1.00 0.00 H new ATOM 0 HG22 VAL A 8 18.761 6.868 -0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.275 6.455 -1.935 1.00 0.00 H new ATOM 130 N LEU A 9 20.113 11.334 -0.465 1.00 0.00 N ATOM 131 CA LEU A 9 20.668 12.682 -0.269 1.00 0.00 C ATOM 132 C LEU A 9 21.756 12.670 0.825 1.00 0.00 C ATOM 133 O LEU A 9 22.881 13.141 0.600 1.00 0.00 O ATOM 134 CB LEU A 9 19.517 13.653 0.114 1.00 0.00 C ATOM 135 CG LEU A 9 18.371 13.781 -0.942 1.00 0.00 C ATOM 136 CD1 LEU A 9 17.182 14.607 -0.409 1.00 0.00 C ATOM 137 CD2 LEU A 9 18.906 14.358 -2.273 1.00 0.00 C ATOM 0 H LEU A 9 19.453 11.064 0.264 1.00 0.00 H new ATOM 0 HA LEU A 9 21.133 13.019 -1.195 1.00 0.00 H new ATOM 0 HB2 LEU A 9 19.084 13.322 1.058 1.00 0.00 H new ATOM 0 HB3 LEU A 9 19.941 14.642 0.287 1.00 0.00 H new ATOM 0 HG LEU A 9 17.996 12.776 -1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.410 14.670 -1.176 1.00 0.00 H new ATOM 0 HD12 LEU A 9 16.773 14.125 0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 9 17.522 15.611 -0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 9 18.089 14.437 -2.990 1.00 0.00 H new ATOM 0 HD22 LEU A 9 19.330 15.346 -2.097 1.00 0.00 H new ATOM 0 HD23 LEU A 9 19.676 13.698 -2.672 1.00 0.00 H new ATOM 149 N ASP A 10 21.419 12.085 1.995 1.00 0.00 N ATOM 150 CA ASP A 10 22.248 12.174 3.214 1.00 0.00 C ATOM 151 C ASP A 10 22.053 10.916 4.088 1.00 0.00 C ATOM 152 O ASP A 10 21.172 10.111 3.811 1.00 0.00 O ATOM 153 CB ASP A 10 21.918 13.474 4.000 1.00 0.00 C ATOM 154 CG ASP A 10 22.947 13.788 5.097 1.00 0.00 C ATOM 155 OD1 ASP A 10 24.039 14.297 4.774 1.00 0.00 O ATOM 156 OD2 ASP A 10 22.691 13.500 6.282 1.00 0.00 O ATOM 0 H ASP A 10 20.566 11.539 2.120 1.00 0.00 H new ATOM 0 HA ASP A 10 23.298 12.219 2.927 1.00 0.00 H new ATOM 0 HB2 ASP A 10 21.870 14.311 3.304 1.00 0.00 H new ATOM 0 HB3 ASP A 10 20.931 13.378 4.452 1.00 0.00 H new ATOM 161 N ARG A 11 22.918 10.732 5.104 1.00 0.00 N ATOM 162 CA ARG A 11 22.912 9.565 6.007 1.00 0.00 C ATOM 163 C ARG A 11 23.053 9.998 7.492 1.00 0.00 C ATOM 164 O ARG A 11 23.797 10.929 7.803 1.00 0.00 O ATOM 165 CB ARG A 11 24.075 8.634 5.584 1.00 0.00 C ATOM 166 CG ARG A 11 24.392 7.464 6.534 1.00 0.00 C ATOM 167 CD ARG A 11 25.533 6.587 5.996 1.00 0.00 C ATOM 168 NE ARG A 11 26.030 5.632 7.006 1.00 0.00 N ATOM 169 CZ ARG A 11 26.355 4.362 6.770 1.00 0.00 C ATOM 170 NH1 ARG A 11 26.091 3.800 5.594 1.00 0.00 N ATOM 171 NH2 ARG A 11 26.909 3.642 7.732 1.00 0.00 N ATOM 0 H ARG A 11 23.654 11.403 5.324 1.00 0.00 H new ATOM 0 HA ARG A 11 21.961 9.038 5.927 1.00 0.00 H new ATOM 0 HB2 ARG A 11 23.845 8.224 4.601 1.00 0.00 H new ATOM 0 HB3 ARG A 11 24.975 9.239 5.474 1.00 0.00 H new ATOM 0 HG2 ARG A 11 24.665 7.855 7.514 1.00 0.00 H new ATOM 0 HG3 ARG A 11 23.499 6.855 6.671 1.00 0.00 H new ATOM 0 HD2 ARG A 11 25.185 6.038 5.121 1.00 0.00 H new ATOM 0 HD3 ARG A 11 26.354 7.224 5.667 1.00 0.00 H new ATOM 0 HE ARG A 11 26.133 5.972 7.962 1.00 0.00 H new ATOM 0 HH11 ARG A 11 25.635 4.342 4.861 1.00 0.00 H new ATOM 0 HH12 ARG A 11 26.345 2.827 5.425 1.00 0.00 H new ATOM 0 HH21 ARG A 11 27.084 4.060 8.646 1.00 0.00 H new ATOM 0 HH22 ARG A 11 27.161 2.669 7.560 1.00 0.00 H new ATOM 185 N ARG A 12 22.339 9.284 8.386 1.00 0.00 N ATOM 186 CA ARG A 12 22.396 9.458 9.862 1.00 0.00 C ATOM 187 C ARG A 12 22.488 8.059 10.526 1.00 0.00 C ATOM 188 O ARG A 12 22.302 7.035 9.855 1.00 0.00 O ATOM 189 CB ARG A 12 21.124 10.220 10.362 1.00 0.00 C ATOM 190 CG ARG A 12 19.821 9.393 10.286 1.00 0.00 C ATOM 191 CD ARG A 12 18.537 10.205 10.546 1.00 0.00 C ATOM 192 NE ARG A 12 18.456 10.781 11.894 1.00 0.00 N ATOM 193 CZ ARG A 12 17.320 10.931 12.597 1.00 0.00 C ATOM 194 NH1 ARG A 12 16.169 10.428 12.165 1.00 0.00 N ATOM 195 NH2 ARG A 12 17.359 11.538 13.762 1.00 0.00 N ATOM 0 H ARG A 12 21.689 8.551 8.100 1.00 0.00 H new ATOM 0 HA ARG A 12 23.272 10.047 10.133 1.00 0.00 H new ATOM 0 HB2 ARG A 12 21.283 10.532 11.394 1.00 0.00 H new ATOM 0 HB3 ARG A 12 21.001 11.127 9.770 1.00 0.00 H new ATOM 0 HG2 ARG A 12 19.753 8.934 9.300 1.00 0.00 H new ATOM 0 HG3 ARG A 12 19.877 8.582 11.012 1.00 0.00 H new ATOM 0 HD2 ARG A 12 18.474 11.010 9.814 1.00 0.00 H new ATOM 0 HD3 ARG A 12 17.673 9.560 10.385 1.00 0.00 H new ATOM 0 HE ARG A 12 19.325 11.090 12.329 1.00 0.00 H new ATOM 0 HH11 ARG A 12 16.135 9.916 11.284 1.00 0.00 H new ATOM 0 HH12 ARG A 12 15.319 10.554 12.715 1.00 0.00 H new ATOM 0 HH21 ARG A 12 18.245 11.890 14.124 1.00 0.00 H new ATOM 0 HH22 ARG A 12 16.503 11.657 14.304 1.00 0.00 H new ATOM 209 N VAL A 13 22.780 8.019 11.845 1.00 0.00 N ATOM 210 CA VAL A 13 22.795 6.766 12.642 1.00 0.00 C ATOM 211 C VAL A 13 21.893 6.939 13.885 1.00 0.00 C ATOM 212 O VAL A 13 22.207 7.727 14.786 1.00 0.00 O ATOM 213 CB VAL A 13 24.251 6.338 13.087 1.00 0.00 C ATOM 214 CG1 VAL A 13 24.219 5.032 13.939 1.00 0.00 C ATOM 215 CG2 VAL A 13 25.185 6.184 11.860 1.00 0.00 C ATOM 0 H VAL A 13 23.012 8.850 12.388 1.00 0.00 H new ATOM 0 HA VAL A 13 22.415 5.969 12.003 1.00 0.00 H new ATOM 0 HB VAL A 13 24.655 7.132 13.715 1.00 0.00 H new ATOM 0 HG11 VAL A 13 25.234 4.763 14.230 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.616 5.195 14.832 1.00 0.00 H new ATOM 0 HG13 VAL A 13 23.784 4.224 13.350 1.00 0.00 H new ATOM 0 HG21 VAL A 13 26.180 5.889 12.195 1.00 0.00 H new ATOM 0 HG22 VAL A 13 24.786 5.421 11.192 1.00 0.00 H new ATOM 0 HG23 VAL A 13 25.248 7.134 11.329 1.00 0.00 H new ATOM 225 N VAL A 14 20.758 6.221 13.894 1.00 0.00 N ATOM 226 CA VAL A 14 19.801 6.189 15.017 1.00 0.00 C ATOM 227 C VAL A 14 19.904 4.842 15.762 1.00 0.00 C ATOM 228 O VAL A 14 19.501 3.804 15.223 1.00 0.00 O ATOM 229 CB VAL A 14 18.318 6.403 14.521 1.00 0.00 C ATOM 230 CG1 VAL A 14 17.301 6.367 15.698 1.00 0.00 C ATOM 231 CG2 VAL A 14 18.202 7.715 13.711 1.00 0.00 C ATOM 0 H VAL A 14 20.473 5.636 13.109 1.00 0.00 H new ATOM 0 HA VAL A 14 20.057 7.005 15.692 1.00 0.00 H new ATOM 0 HB VAL A 14 18.064 5.572 13.862 1.00 0.00 H new ATOM 0 HG11 VAL A 14 16.293 6.518 15.312 1.00 0.00 H new ATOM 0 HG12 VAL A 14 17.357 5.400 16.198 1.00 0.00 H new ATOM 0 HG13 VAL A 14 17.540 7.157 16.409 1.00 0.00 H new ATOM 0 HG21 VAL A 14 17.173 7.847 13.377 1.00 0.00 H new ATOM 0 HG22 VAL A 14 18.490 8.557 14.340 1.00 0.00 H new ATOM 0 HG23 VAL A 14 18.861 7.667 12.844 1.00 0.00 H new ATOM 241 N ASN A 15 20.490 4.881 16.979 1.00 0.00 N ATOM 242 CA ASN A 15 20.511 3.754 17.945 1.00 0.00 C ATOM 243 C ASN A 15 21.149 2.475 17.343 1.00 0.00 C ATOM 244 O ASN A 15 20.628 1.362 17.499 1.00 0.00 O ATOM 245 CB ASN A 15 19.072 3.483 18.493 1.00 0.00 C ATOM 246 CG ASN A 15 18.430 4.696 19.181 1.00 0.00 C ATOM 247 OD1 ASN A 15 19.115 5.535 19.762 1.00 0.00 O ATOM 248 ND2 ASN A 15 17.110 4.799 19.106 1.00 0.00 N ATOM 0 H ASN A 15 20.971 5.711 17.326 1.00 0.00 H new ATOM 0 HA ASN A 15 21.147 4.044 18.782 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.434 3.165 17.669 1.00 0.00 H new ATOM 0 HB3 ASN A 15 19.113 2.656 19.201 1.00 0.00 H new ATOM 0 HD21 ASN A 15 16.635 5.592 19.538 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.570 4.086 18.616 1.00 0.00 H new ATOM 255 N GLY A 16 22.272 2.667 16.626 1.00 0.00 N ATOM 256 CA GLY A 16 23.027 1.559 16.024 1.00 0.00 C ATOM 257 C GLY A 16 22.643 1.288 14.570 1.00 0.00 C ATOM 258 O GLY A 16 23.450 0.763 13.796 1.00 0.00 O ATOM 0 H GLY A 16 22.676 3.587 16.450 1.00 0.00 H new ATOM 0 HA2 GLY A 16 24.092 1.784 16.076 1.00 0.00 H new ATOM 0 HA3 GLY A 16 22.863 0.655 16.611 1.00 0.00 H new ATOM 262 N LYS A 17 21.408 1.661 14.194 1.00 0.00 N ATOM 263 CA LYS A 17 20.881 1.499 12.846 1.00 0.00 C ATOM 264 C LYS A 17 21.170 2.766 12.019 1.00 0.00 C ATOM 265 O LYS A 17 21.257 3.862 12.563 1.00 0.00 O ATOM 266 CB LYS A 17 19.352 1.175 12.925 1.00 0.00 C ATOM 267 CG LYS A 17 18.519 1.692 11.748 1.00 0.00 C ATOM 268 CD LYS A 17 17.033 1.307 11.827 1.00 0.00 C ATOM 269 CE LYS A 17 16.255 2.054 12.920 1.00 0.00 C ATOM 270 NZ LYS A 17 14.811 1.698 12.893 1.00 0.00 N ATOM 0 H LYS A 17 20.743 2.091 14.837 1.00 0.00 H new ATOM 0 HA LYS A 17 21.371 0.666 12.342 1.00 0.00 H new ATOM 0 HB2 LYS A 17 19.228 0.094 12.991 1.00 0.00 H new ATOM 0 HB3 LYS A 17 18.953 1.599 13.847 1.00 0.00 H new ATOM 0 HG2 LYS A 17 18.602 2.778 11.705 1.00 0.00 H new ATOM 0 HG3 LYS A 17 18.937 1.303 10.820 1.00 0.00 H new ATOM 0 HD2 LYS A 17 16.565 1.504 10.862 1.00 0.00 H new ATOM 0 HD3 LYS A 17 16.954 0.235 12.007 1.00 0.00 H new ATOM 0 HE2 LYS A 17 16.673 1.812 13.897 1.00 0.00 H new ATOM 0 HE3 LYS A 17 16.370 3.129 12.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.255 2.524 12.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.659 0.915 12.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.508 1.406 13.844 1.00 0.00 H new ATOM 284 N VAL A 18 21.304 2.587 10.701 1.00 0.00 N ATOM 285 CA VAL A 18 21.531 3.686 9.747 1.00 0.00 C ATOM 286 C VAL A 18 20.197 4.091 9.093 1.00 0.00 C ATOM 287 O VAL A 18 19.382 3.233 8.755 1.00 0.00 O ATOM 288 CB VAL A 18 22.565 3.262 8.636 1.00 0.00 C ATOM 289 CG1 VAL A 18 22.758 4.369 7.570 1.00 0.00 C ATOM 290 CG2 VAL A 18 23.917 2.861 9.269 1.00 0.00 C ATOM 0 H VAL A 18 21.258 1.669 10.259 1.00 0.00 H new ATOM 0 HA VAL A 18 21.943 4.536 10.292 1.00 0.00 H new ATOM 0 HB VAL A 18 22.153 2.392 8.124 1.00 0.00 H new ATOM 0 HG11 VAL A 18 23.479 4.034 6.824 1.00 0.00 H new ATOM 0 HG12 VAL A 18 21.804 4.577 7.085 1.00 0.00 H new ATOM 0 HG13 VAL A 18 23.127 5.276 8.050 1.00 0.00 H new ATOM 0 HG21 VAL A 18 24.615 2.572 8.483 1.00 0.00 H new ATOM 0 HG22 VAL A 18 24.324 3.707 9.823 1.00 0.00 H new ATOM 0 HG23 VAL A 18 23.766 2.021 9.947 1.00 0.00 H new ATOM 300 N GLU A 19 19.971 5.406 8.937 1.00 0.00 N ATOM 301 CA GLU A 19 18.889 5.934 8.091 1.00 0.00 C ATOM 302 C GLU A 19 19.493 6.835 7.003 1.00 0.00 C ATOM 303 O GLU A 19 20.664 7.222 7.075 1.00 0.00 O ATOM 304 CB GLU A 19 17.816 6.710 8.911 1.00 0.00 C ATOM 305 CG GLU A 19 17.250 5.953 10.134 1.00 0.00 C ATOM 306 CD GLU A 19 15.977 6.595 10.724 1.00 0.00 C ATOM 307 OE1 GLU A 19 15.978 7.821 10.975 1.00 0.00 O ATOM 308 OE2 GLU A 19 14.974 5.877 10.947 1.00 0.00 O ATOM 0 H GLU A 19 20.530 6.129 9.391 1.00 0.00 H new ATOM 0 HA GLU A 19 18.377 5.088 7.633 1.00 0.00 H new ATOM 0 HB2 GLU A 19 18.252 7.648 9.254 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.990 6.966 8.248 1.00 0.00 H new ATOM 0 HG2 GLU A 19 17.028 4.926 9.844 1.00 0.00 H new ATOM 0 HG3 GLU A 19 18.016 5.907 10.908 1.00 0.00 H new ATOM 315 N TYR A 20 18.676 7.157 6.001 1.00 0.00 N ATOM 316 CA TYR A 20 19.064 7.964 4.834 1.00 0.00 C ATOM 317 C TYR A 20 17.946 8.966 4.532 1.00 0.00 C ATOM 318 O TYR A 20 16.794 8.710 4.870 1.00 0.00 O ATOM 319 CB TYR A 20 19.295 7.052 3.600 1.00 0.00 C ATOM 320 CG TYR A 20 20.542 6.150 3.684 1.00 0.00 C ATOM 321 CD1 TYR A 20 21.792 6.616 3.267 1.00 0.00 C ATOM 322 CD2 TYR A 20 20.475 4.839 4.158 1.00 0.00 C ATOM 323 CE1 TYR A 20 22.911 5.815 3.309 1.00 0.00 C ATOM 324 CE2 TYR A 20 21.603 4.036 4.203 1.00 0.00 C ATOM 325 CZ TYR A 20 22.815 4.531 3.779 1.00 0.00 C ATOM 326 OH TYR A 20 23.937 3.734 3.824 1.00 0.00 O ATOM 0 H TYR A 20 17.701 6.859 5.973 1.00 0.00 H new ATOM 0 HA TYR A 20 19.992 8.493 5.053 1.00 0.00 H new ATOM 0 HB2 TYR A 20 18.417 6.421 3.463 1.00 0.00 H new ATOM 0 HB3 TYR A 20 19.378 7.680 2.713 1.00 0.00 H new ATOM 0 HD1 TYR A 20 21.882 7.629 2.903 1.00 0.00 H new ATOM 0 HD2 TYR A 20 19.528 4.444 4.495 1.00 0.00 H new ATOM 0 HE1 TYR A 20 23.863 6.198 2.972 1.00 0.00 H new ATOM 0 HE2 TYR A 20 21.531 3.023 4.570 1.00 0.00 H new ATOM 0 HH TYR A 20 23.699 2.854 4.183 1.00 0.00 H new ATOM 336 N PHE A 21 18.288 10.113 3.929 1.00 0.00 N ATOM 337 CA PHE A 21 17.296 11.118 3.514 1.00 0.00 C ATOM 338 C PHE A 21 16.912 10.828 2.062 1.00 0.00 C ATOM 339 O PHE A 21 17.729 10.983 1.152 1.00 0.00 O ATOM 340 CB PHE A 21 17.877 12.555 3.684 1.00 0.00 C ATOM 341 CG PHE A 21 16.854 13.690 3.603 1.00 0.00 C ATOM 342 CD1 PHE A 21 15.536 13.506 4.019 1.00 0.00 C ATOM 343 CD2 PHE A 21 17.221 14.951 3.130 1.00 0.00 C ATOM 344 CE1 PHE A 21 14.620 14.535 3.956 1.00 0.00 C ATOM 345 CE2 PHE A 21 16.300 15.982 3.066 1.00 0.00 C ATOM 346 CZ PHE A 21 15.001 15.772 3.478 1.00 0.00 C ATOM 0 H PHE A 21 19.252 10.370 3.716 1.00 0.00 H new ATOM 0 HA PHE A 21 16.405 11.063 4.139 1.00 0.00 H new ATOM 0 HB2 PHE A 21 18.383 12.612 4.648 1.00 0.00 H new ATOM 0 HB3 PHE A 21 18.634 12.716 2.917 1.00 0.00 H new ATOM 0 HD1 PHE A 21 15.228 12.542 4.397 1.00 0.00 H new ATOM 0 HD2 PHE A 21 18.238 15.124 2.810 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.603 14.372 4.281 1.00 0.00 H new ATOM 0 HE2 PHE A 21 16.599 16.951 2.693 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.282 16.576 3.427 1.00 0.00 H new ATOM 356 N LEU A 22 15.681 10.348 1.866 1.00 0.00 N ATOM 357 CA LEU A 22 15.195 9.898 0.556 1.00 0.00 C ATOM 358 C LEU A 22 14.500 11.038 -0.187 1.00 0.00 C ATOM 359 O LEU A 22 13.479 11.561 0.277 1.00 0.00 O ATOM 360 CB LEU A 22 14.237 8.674 0.707 1.00 0.00 C ATOM 361 CG LEU A 22 14.934 7.292 0.925 1.00 0.00 C ATOM 362 CD1 LEU A 22 15.705 7.231 2.258 1.00 0.00 C ATOM 363 CD2 LEU A 22 13.914 6.143 0.794 1.00 0.00 C ATOM 0 H LEU A 22 14.991 10.260 2.612 1.00 0.00 H new ATOM 0 HA LEU A 22 16.057 9.584 -0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 22 13.569 8.860 1.548 1.00 0.00 H new ATOM 0 HB3 LEU A 22 13.615 8.610 -0.186 1.00 0.00 H new ATOM 0 HG LEU A 22 15.679 7.170 0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 22 16.172 6.252 2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 22 16.475 8.003 2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 22 15.015 7.395 3.085 1.00 0.00 H new ATOM 0 HD21 LEU A 22 14.418 5.189 0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 22 13.131 6.265 1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.471 6.162 -0.202 1.00 0.00 H new ATOM 375 N LYS A 23 15.085 11.422 -1.333 1.00 0.00 N ATOM 376 CA LYS A 23 14.421 12.266 -2.317 1.00 0.00 C ATOM 377 C LYS A 23 13.432 11.349 -3.051 1.00 0.00 C ATOM 378 O LYS A 23 13.842 10.574 -3.906 1.00 0.00 O ATOM 379 CB LYS A 23 15.456 12.902 -3.315 1.00 0.00 C ATOM 380 CG LYS A 23 15.008 14.210 -4.020 1.00 0.00 C ATOM 381 CD LYS A 23 13.707 14.068 -4.844 1.00 0.00 C ATOM 382 CE LYS A 23 13.366 15.343 -5.620 1.00 0.00 C ATOM 383 NZ LYS A 23 13.166 16.505 -4.717 1.00 0.00 N ATOM 0 H LYS A 23 16.033 11.151 -1.596 1.00 0.00 H new ATOM 0 HA LYS A 23 13.911 13.104 -1.842 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.378 13.104 -2.770 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.693 12.163 -4.081 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.866 14.986 -3.267 1.00 0.00 H new ATOM 0 HG3 LYS A 23 15.808 14.548 -4.679 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.811 13.238 -5.542 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.882 13.821 -4.176 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.168 15.565 -6.324 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.462 15.180 -6.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.325 17.038 -5.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.032 16.168 -3.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.001 17.124 -4.757 1.00 0.00 H new ATOM 397 N TRP A 24 12.155 11.409 -2.664 1.00 0.00 N ATOM 398 CA TRP A 24 11.105 10.576 -3.264 1.00 0.00 C ATOM 399 C TRP A 24 10.799 11.011 -4.707 1.00 0.00 C ATOM 400 O TRP A 24 10.658 12.205 -4.995 1.00 0.00 O ATOM 401 CB TRP A 24 9.826 10.617 -2.405 1.00 0.00 C ATOM 402 CG TRP A 24 10.003 10.091 -1.005 1.00 0.00 C ATOM 403 CD1 TRP A 24 10.061 10.821 0.135 1.00 0.00 C ATOM 404 CD2 TRP A 24 10.147 8.721 -0.612 1.00 0.00 C ATOM 405 NE1 TRP A 24 10.209 10.000 1.214 1.00 0.00 N ATOM 406 CE2 TRP A 24 10.271 8.709 0.782 1.00 0.00 C ATOM 407 CE3 TRP A 24 10.159 7.508 -1.300 1.00 0.00 C ATOM 408 CZ2 TRP A 24 10.414 7.540 1.501 1.00 0.00 C ATOM 409 CZ3 TRP A 24 10.320 6.344 -0.585 1.00 0.00 C ATOM 410 CH2 TRP A 24 10.429 6.364 0.806 1.00 0.00 C ATOM 0 H TRP A 24 11.819 12.032 -1.930 1.00 0.00 H new ATOM 0 HA TRP A 24 11.472 9.550 -3.296 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.471 11.646 -2.352 1.00 0.00 H new ATOM 0 HB3 TRP A 24 9.049 10.037 -2.903 1.00 0.00 H new ATOM 0 HD1 TRP A 24 9.999 11.898 0.182 1.00 0.00 H new ATOM 0 HE1 TRP A 24 10.264 10.303 2.186 1.00 0.00 H new ATOM 0 HE3 TRP A 24 10.044 7.483 -2.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 10.511 7.554 2.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 10.363 5.400 -1.108 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.527 5.432 1.343 1.00 0.00 H new ATOM 421 N LYS A 25 10.689 10.009 -5.583 1.00 0.00 N ATOM 422 CA LYS A 25 10.477 10.183 -7.018 1.00 0.00 C ATOM 423 C LYS A 25 8.998 10.510 -7.294 1.00 0.00 C ATOM 424 O LYS A 25 8.110 9.743 -6.918 1.00 0.00 O ATOM 425 CB LYS A 25 10.925 8.880 -7.736 1.00 0.00 C ATOM 426 CG LYS A 25 10.969 8.950 -9.272 1.00 0.00 C ATOM 427 CD LYS A 25 11.833 7.831 -9.903 1.00 0.00 C ATOM 428 CE LYS A 25 11.404 6.412 -9.482 1.00 0.00 C ATOM 429 NZ LYS A 25 12.267 5.373 -10.097 1.00 0.00 N ATOM 0 H LYS A 25 10.747 9.030 -5.304 1.00 0.00 H new ATOM 0 HA LYS A 25 11.067 11.017 -7.399 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.917 8.609 -7.374 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.249 8.076 -7.446 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.954 8.882 -9.663 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.363 9.920 -9.575 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.780 7.911 -10.989 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.875 7.985 -9.622 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.448 6.326 -8.396 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.367 6.244 -9.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.948 4.431 -9.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.206 5.440 -11.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.252 5.519 -9.798 1.00 0.00 H new ATOM 443 N GLY A 26 8.756 11.672 -7.916 1.00 0.00 N ATOM 444 CA GLY A 26 7.398 12.150 -8.188 1.00 0.00 C ATOM 445 C GLY A 26 6.780 12.924 -7.015 1.00 0.00 C ATOM 446 O GLY A 26 5.636 13.386 -7.114 1.00 0.00 O ATOM 0 H GLY A 26 9.490 12.301 -8.241 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.416 12.792 -9.069 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.762 11.298 -8.428 1.00 0.00 H new ATOM 450 N PHE A 27 7.541 13.065 -5.910 1.00 0.00 N ATOM 451 CA PHE A 27 7.108 13.791 -4.693 1.00 0.00 C ATOM 452 C PHE A 27 8.045 14.985 -4.429 1.00 0.00 C ATOM 453 O PHE A 27 9.230 14.953 -4.793 1.00 0.00 O ATOM 454 CB PHE A 27 7.084 12.836 -3.465 1.00 0.00 C ATOM 455 CG PHE A 27 6.149 11.630 -3.613 1.00 0.00 C ATOM 456 CD1 PHE A 27 4.780 11.747 -3.366 1.00 0.00 C ATOM 457 CD2 PHE A 27 6.638 10.376 -3.995 1.00 0.00 C ATOM 458 CE1 PHE A 27 3.937 10.655 -3.494 1.00 0.00 C ATOM 459 CE2 PHE A 27 5.794 9.285 -4.121 1.00 0.00 C ATOM 460 CZ PHE A 27 4.443 9.426 -3.872 1.00 0.00 C ATOM 0 H PHE A 27 8.481 12.676 -5.834 1.00 0.00 H new ATOM 0 HA PHE A 27 6.097 14.166 -4.852 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.096 12.474 -3.283 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.785 13.405 -2.585 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.372 12.703 -3.071 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.693 10.257 -4.195 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.881 10.765 -3.298 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.192 8.325 -4.414 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.783 8.577 -3.973 1.00 0.00 H new ATOM 470 N THR A 28 7.502 16.022 -3.771 1.00 0.00 N ATOM 471 CA THR A 28 8.203 17.298 -3.549 1.00 0.00 C ATOM 472 C THR A 28 9.242 17.191 -2.402 1.00 0.00 C ATOM 473 O THR A 28 9.204 16.246 -1.598 1.00 0.00 O ATOM 474 CB THR A 28 7.175 18.456 -3.279 1.00 0.00 C ATOM 475 OG1 THR A 28 7.839 19.732 -3.256 1.00 0.00 O ATOM 476 CG2 THR A 28 6.415 18.266 -1.964 1.00 0.00 C ATOM 0 H THR A 28 6.562 15.999 -3.377 1.00 0.00 H new ATOM 0 HA THR A 28 8.754 17.536 -4.459 1.00 0.00 H new ATOM 0 HB THR A 28 6.455 18.426 -4.097 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.182 20.440 -3.088 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.718 19.092 -1.824 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.863 17.327 -1.995 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.122 18.244 -1.135 1.00 0.00 H new ATOM 484 N ASP A 29 10.165 18.178 -2.344 1.00 0.00 N ATOM 485 CA ASP A 29 11.248 18.238 -1.326 1.00 0.00 C ATOM 486 C ASP A 29 10.695 18.436 0.089 1.00 0.00 C ATOM 487 O ASP A 29 11.275 17.941 1.059 1.00 0.00 O ATOM 488 CB ASP A 29 12.268 19.353 -1.662 1.00 0.00 C ATOM 489 CG ASP A 29 13.215 18.959 -2.803 1.00 0.00 C ATOM 490 OD1 ASP A 29 14.240 18.295 -2.533 1.00 0.00 O ATOM 491 OD2 ASP A 29 12.938 19.287 -3.974 1.00 0.00 O ATOM 0 H ASP A 29 10.183 18.958 -3.001 1.00 0.00 H new ATOM 0 HA ASP A 29 11.759 17.276 -1.352 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.731 20.261 -1.937 1.00 0.00 H new ATOM 0 HB3 ASP A 29 12.853 19.586 -0.772 1.00 0.00 H new ATOM 496 N ALA A 30 9.564 19.148 0.183 1.00 0.00 N ATOM 497 CA ALA A 30 8.854 19.387 1.457 1.00 0.00 C ATOM 498 C ALA A 30 8.249 18.080 2.033 1.00 0.00 C ATOM 499 O ALA A 30 7.944 17.993 3.232 1.00 0.00 O ATOM 500 CB ALA A 30 7.759 20.449 1.239 1.00 0.00 C ATOM 0 H ALA A 30 9.110 19.578 -0.623 1.00 0.00 H new ATOM 0 HA ALA A 30 9.573 19.752 2.190 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.233 20.628 2.177 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.216 21.378 0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.052 20.094 0.489 1.00 0.00 H new ATOM 506 N ASP A 31 8.106 17.069 1.161 1.00 0.00 N ATOM 507 CA ASP A 31 7.479 15.780 1.487 1.00 0.00 C ATOM 508 C ASP A 31 8.534 14.646 1.558 1.00 0.00 C ATOM 509 O ASP A 31 8.208 13.511 1.930 1.00 0.00 O ATOM 510 CB ASP A 31 6.392 15.496 0.416 1.00 0.00 C ATOM 511 CG ASP A 31 5.491 14.276 0.683 1.00 0.00 C ATOM 512 OD1 ASP A 31 5.082 14.049 1.845 1.00 0.00 O ATOM 513 OD2 ASP A 31 5.137 13.577 -0.288 1.00 0.00 O ATOM 0 H ASP A 31 8.428 17.126 0.195 1.00 0.00 H new ATOM 0 HA ASP A 31 7.016 15.823 2.473 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.759 16.379 0.325 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.885 15.357 -0.546 1.00 0.00 H new ATOM 518 N ASN A 32 9.811 14.958 1.206 1.00 0.00 N ATOM 519 CA ASN A 32 10.930 13.994 1.326 1.00 0.00 C ATOM 520 C ASN A 32 11.220 13.660 2.806 1.00 0.00 C ATOM 521 O ASN A 32 11.314 14.563 3.634 1.00 0.00 O ATOM 522 CB ASN A 32 12.209 14.517 0.603 1.00 0.00 C ATOM 523 CG ASN A 32 12.062 14.666 -0.927 1.00 0.00 C ATOM 524 OD1 ASN A 32 12.804 15.420 -1.558 1.00 0.00 O ATOM 525 ND2 ASN A 32 11.117 13.954 -1.544 1.00 0.00 N ATOM 0 H ASN A 32 10.086 15.869 0.838 1.00 0.00 H new ATOM 0 HA ASN A 32 10.627 13.072 0.830 1.00 0.00 H new ATOM 0 HB2 ASN A 32 12.480 15.485 1.025 1.00 0.00 H new ATOM 0 HB3 ASN A 32 13.034 13.836 0.812 1.00 0.00 H new ATOM 0 HD21 ASN A 32 11.000 14.029 -2.554 1.00 0.00 H new ATOM 0 HD22 ASN A 32 10.512 13.335 -1.005 1.00 0.00 H new ATOM 532 N THR A 33 11.363 12.352 3.127 1.00 0.00 N ATOM 533 CA THR A 33 11.472 11.859 4.523 1.00 0.00 C ATOM 534 C THR A 33 12.713 10.969 4.709 1.00 0.00 C ATOM 535 O THR A 33 13.282 10.452 3.740 1.00 0.00 O ATOM 536 CB THR A 33 10.187 11.056 4.958 1.00 0.00 C ATOM 537 OG1 THR A 33 9.954 9.965 4.059 1.00 0.00 O ATOM 538 CG2 THR A 33 8.932 11.945 4.999 1.00 0.00 C ATOM 0 H THR A 33 11.406 11.610 2.428 1.00 0.00 H new ATOM 0 HA THR A 33 11.567 12.741 5.157 1.00 0.00 H new ATOM 0 HB THR A 33 10.374 10.682 5.965 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.080 9.117 4.534 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.073 11.348 5.304 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.083 12.755 5.713 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.750 12.364 4.009 1.00 0.00 H new ATOM 546 N TRP A 34 13.116 10.808 5.983 1.00 0.00 N ATOM 547 CA TRP A 34 14.214 9.921 6.390 1.00 0.00 C ATOM 548 C TRP A 34 13.696 8.491 6.560 1.00 0.00 C ATOM 549 O TRP A 34 12.775 8.254 7.360 1.00 0.00 O ATOM 550 CB TRP A 34 14.827 10.395 7.732 1.00 0.00 C ATOM 551 CG TRP A 34 15.551 11.719 7.664 1.00 0.00 C ATOM 552 CD1 TRP A 34 15.017 12.967 7.812 1.00 0.00 C ATOM 553 CD2 TRP A 34 16.949 11.906 7.446 1.00 0.00 C ATOM 554 NE1 TRP A 34 16.004 13.910 7.691 1.00 0.00 N ATOM 555 CE2 TRP A 34 17.197 13.281 7.465 1.00 0.00 C ATOM 556 CE3 TRP A 34 18.009 11.025 7.232 1.00 0.00 C ATOM 557 CZ2 TRP A 34 18.476 13.805 7.283 1.00 0.00 C ATOM 558 CZ3 TRP A 34 19.271 11.535 7.046 1.00 0.00 C ATOM 559 CH2 TRP A 34 19.498 12.914 7.071 1.00 0.00 C ATOM 0 H TRP A 34 12.681 11.297 6.765 1.00 0.00 H new ATOM 0 HA TRP A 34 14.979 9.948 5.614 1.00 0.00 H new ATOM 0 HB2 TRP A 34 14.031 10.470 8.473 1.00 0.00 H new ATOM 0 HB3 TRP A 34 15.522 9.634 8.087 1.00 0.00 H new ATOM 0 HD1 TRP A 34 13.974 13.179 7.997 1.00 0.00 H new ATOM 0 HE1 TRP A 34 15.870 14.919 7.759 1.00 0.00 H new ATOM 0 HE3 TRP A 34 17.840 9.958 7.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 18.655 14.870 7.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 20.099 10.862 6.878 1.00 0.00 H new ATOM 0 HH2 TRP A 34 20.500 13.287 6.920 1.00 0.00 H new ATOM 570 N GLU A 35 14.295 7.545 5.820 1.00 0.00 N ATOM 571 CA GLU A 35 13.975 6.110 5.938 1.00 0.00 C ATOM 572 C GLU A 35 15.220 5.311 6.319 1.00 0.00 C ATOM 573 O GLU A 35 16.296 5.549 5.754 1.00 0.00 O ATOM 574 CB GLU A 35 13.399 5.529 4.621 1.00 0.00 C ATOM 575 CG GLU A 35 12.068 6.142 4.167 1.00 0.00 C ATOM 576 CD GLU A 35 10.991 6.203 5.273 1.00 0.00 C ATOM 577 OE1 GLU A 35 10.871 5.238 6.066 1.00 0.00 O ATOM 578 OE2 GLU A 35 10.238 7.201 5.337 1.00 0.00 O ATOM 0 H GLU A 35 15.013 7.750 5.125 1.00 0.00 H new ATOM 0 HA GLU A 35 13.218 6.024 6.717 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.134 5.668 3.828 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.263 4.455 4.745 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.252 7.151 3.798 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.680 5.562 3.329 1.00 0.00 H new ATOM 585 N PRO A 36 15.093 4.327 7.259 1.00 0.00 N ATOM 586 CA PRO A 36 16.196 3.413 7.598 1.00 0.00 C ATOM 587 C PRO A 36 16.600 2.521 6.402 1.00 0.00 C ATOM 588 O PRO A 36 15.841 2.367 5.435 1.00 0.00 O ATOM 589 CB PRO A 36 15.643 2.591 8.790 1.00 0.00 C ATOM 590 CG PRO A 36 14.154 2.697 8.695 1.00 0.00 C ATOM 591 CD PRO A 36 13.874 4.046 8.071 1.00 0.00 C ATOM 0 HA PRO A 36 17.114 3.942 7.853 1.00 0.00 H new ATOM 0 HB2 PRO A 36 15.966 1.552 8.733 1.00 0.00 H new ATOM 0 HB3 PRO A 36 16.004 2.986 9.740 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.743 1.892 8.086 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.693 2.619 9.680 1.00 0.00 H new ATOM 0 HD2 PRO A 36 12.978 4.021 7.451 1.00 0.00 H new ATOM 0 HD3 PRO A 36 13.715 4.812 8.830 1.00 0.00 H new ATOM 599 N GLU A 37 17.814 1.951 6.490 1.00 0.00 N ATOM 600 CA GLU A 37 18.373 1.061 5.455 1.00 0.00 C ATOM 601 C GLU A 37 17.504 -0.210 5.257 1.00 0.00 C ATOM 602 O GLU A 37 17.517 -0.825 4.181 1.00 0.00 O ATOM 603 CB GLU A 37 19.875 0.721 5.768 1.00 0.00 C ATOM 604 CG GLU A 37 20.247 0.469 7.260 1.00 0.00 C ATOM 605 CD GLU A 37 19.422 -0.616 7.967 1.00 0.00 C ATOM 606 OE1 GLU A 37 19.664 -1.818 7.713 1.00 0.00 O ATOM 607 OE2 GLU A 37 18.515 -0.274 8.766 1.00 0.00 O ATOM 0 H GLU A 37 18.438 2.095 7.284 1.00 0.00 H new ATOM 0 HA GLU A 37 18.352 1.592 4.503 1.00 0.00 H new ATOM 0 HB2 GLU A 37 20.148 -0.166 5.196 1.00 0.00 H new ATOM 0 HB3 GLU A 37 20.492 1.540 5.399 1.00 0.00 H new ATOM 0 HG2 GLU A 37 21.300 0.194 7.313 1.00 0.00 H new ATOM 0 HG3 GLU A 37 20.134 1.404 7.809 1.00 0.00 H new ATOM 614 N GLU A 38 16.746 -0.570 6.309 1.00 0.00 N ATOM 615 CA GLU A 38 15.836 -1.727 6.303 1.00 0.00 C ATOM 616 C GLU A 38 14.562 -1.443 5.461 1.00 0.00 C ATOM 617 O GLU A 38 13.892 -2.378 5.011 1.00 0.00 O ATOM 618 CB GLU A 38 15.461 -2.112 7.761 1.00 0.00 C ATOM 619 CG GLU A 38 14.621 -1.061 8.516 1.00 0.00 C ATOM 620 CD GLU A 38 14.341 -1.422 9.987 1.00 0.00 C ATOM 621 OE1 GLU A 38 13.784 -2.509 10.254 1.00 0.00 O ATOM 622 OE2 GLU A 38 14.678 -0.631 10.887 1.00 0.00 O ATOM 0 H GLU A 38 16.749 -0.061 7.193 1.00 0.00 H new ATOM 0 HA GLU A 38 16.352 -2.566 5.837 1.00 0.00 H new ATOM 0 HB2 GLU A 38 14.909 -3.052 7.742 1.00 0.00 H new ATOM 0 HB3 GLU A 38 16.379 -2.293 8.321 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.139 -0.103 8.480 1.00 0.00 H new ATOM 0 HG3 GLU A 38 13.671 -0.929 7.998 1.00 0.00 H new ATOM 629 N ASN A 39 14.231 -0.147 5.272 1.00 0.00 N ATOM 630 CA ASN A 39 13.080 0.291 4.440 1.00 0.00 C ATOM 631 C ASN A 39 13.482 0.444 2.963 1.00 0.00 C ATOM 632 O ASN A 39 12.605 0.502 2.091 1.00 0.00 O ATOM 633 CB ASN A 39 12.495 1.635 4.976 1.00 0.00 C ATOM 634 CG ASN A 39 11.690 1.486 6.269 1.00 0.00 C ATOM 635 OD1 ASN A 39 11.959 0.615 7.092 1.00 0.00 O ATOM 636 ND2 ASN A 39 10.699 2.349 6.463 1.00 0.00 N ATOM 0 H ASN A 39 14.750 0.626 5.689 1.00 0.00 H new ATOM 0 HA ASN A 39 12.314 -0.481 4.506 1.00 0.00 H new ATOM 0 HB2 ASN A 39 13.314 2.334 5.147 1.00 0.00 H new ATOM 0 HB3 ASN A 39 11.856 2.074 4.210 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.138 2.299 7.314 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.499 3.062 5.761 1.00 0.00 H new ATOM 643 N LEU A 40 14.799 0.500 2.686 1.00 0.00 N ATOM 644 CA LEU A 40 15.315 0.719 1.323 1.00 0.00 C ATOM 645 C LEU A 40 15.127 -0.530 0.451 1.00 0.00 C ATOM 646 O LEU A 40 15.685 -1.589 0.749 1.00 0.00 O ATOM 647 CB LEU A 40 16.816 1.116 1.351 1.00 0.00 C ATOM 648 CG LEU A 40 17.168 2.404 2.154 1.00 0.00 C ATOM 649 CD1 LEU A 40 18.658 2.764 2.010 1.00 0.00 C ATOM 650 CD2 LEU A 40 16.265 3.587 1.761 1.00 0.00 C ATOM 0 H LEU A 40 15.527 0.396 3.393 1.00 0.00 H new ATOM 0 HA LEU A 40 14.742 1.538 0.889 1.00 0.00 H new ATOM 0 HB2 LEU A 40 17.383 0.285 1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 40 17.155 1.248 0.324 1.00 0.00 H new ATOM 0 HG LEU A 40 16.979 2.190 3.206 1.00 0.00 H new ATOM 0 HD11 LEU A 40 18.871 3.667 2.582 1.00 0.00 H new ATOM 0 HD12 LEU A 40 19.269 1.943 2.387 1.00 0.00 H new ATOM 0 HD13 LEU A 40 18.891 2.937 0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 40 16.542 4.466 2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 40 16.388 3.802 0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 40 15.224 3.333 1.962 1.00 0.00 H new ATOM 662 N ASP A 41 14.314 -0.399 -0.606 1.00 0.00 N ATOM 663 CA ASP A 41 14.200 -1.405 -1.681 1.00 0.00 C ATOM 664 C ASP A 41 15.024 -0.914 -2.905 1.00 0.00 C ATOM 665 O ASP A 41 15.007 -1.514 -3.983 1.00 0.00 O ATOM 666 CB ASP A 41 12.693 -1.613 -2.013 1.00 0.00 C ATOM 667 CG ASP A 41 12.430 -2.732 -3.033 1.00 0.00 C ATOM 668 OD1 ASP A 41 12.498 -3.921 -2.658 1.00 0.00 O ATOM 669 OD2 ASP A 41 12.152 -2.433 -4.221 1.00 0.00 O ATOM 0 H ASP A 41 13.711 0.412 -0.744 1.00 0.00 H new ATOM 0 HA ASP A 41 14.603 -2.371 -1.376 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.156 -1.840 -1.092 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.284 -0.679 -2.399 1.00 0.00 H new ATOM 674 N CYS A 42 15.759 0.200 -2.691 1.00 0.00 N ATOM 675 CA CYS A 42 16.597 0.868 -3.694 1.00 0.00 C ATOM 676 C CYS A 42 18.100 0.602 -3.399 1.00 0.00 C ATOM 677 O CYS A 42 18.714 1.328 -2.605 1.00 0.00 O ATOM 678 CB CYS A 42 16.279 2.378 -3.653 1.00 0.00 C ATOM 679 SG CYS A 42 16.441 3.135 -2.016 1.00 0.00 S ATOM 0 H CYS A 42 15.781 0.668 -1.785 1.00 0.00 H new ATOM 0 HA CYS A 42 16.387 0.478 -4.690 1.00 0.00 H new ATOM 0 HB2 CYS A 42 16.943 2.895 -4.346 1.00 0.00 H new ATOM 0 HB3 CYS A 42 15.261 2.532 -4.012 1.00 0.00 H new ATOM 0 HG CYS A 42 17.521 2.697 -1.440 1.00 0.00 H new ATOM 685 N PRO A 43 18.716 -0.467 -4.008 1.00 0.00 N ATOM 686 CA PRO A 43 20.106 -0.876 -3.690 1.00 0.00 C ATOM 687 C PRO A 43 21.182 0.007 -4.367 1.00 0.00 C ATOM 688 O PRO A 43 22.208 0.328 -3.748 1.00 0.00 O ATOM 689 CB PRO A 43 20.158 -2.344 -4.186 1.00 0.00 C ATOM 690 CG PRO A 43 19.166 -2.410 -5.318 1.00 0.00 C ATOM 691 CD PRO A 43 18.104 -1.359 -5.039 1.00 0.00 C ATOM 0 HA PRO A 43 20.333 -0.766 -2.630 1.00 0.00 H new ATOM 0 HB2 PRO A 43 21.160 -2.611 -4.523 1.00 0.00 H new ATOM 0 HB3 PRO A 43 19.894 -3.039 -3.389 1.00 0.00 H new ATOM 0 HG2 PRO A 43 19.657 -2.219 -6.272 1.00 0.00 H new ATOM 0 HG3 PRO A 43 18.719 -3.402 -5.382 1.00 0.00 H new ATOM 0 HD2 PRO A 43 17.849 -0.804 -5.942 1.00 0.00 H new ATOM 0 HD3 PRO A 43 17.183 -1.814 -4.673 1.00 0.00 H new ATOM 699 N GLU A 44 20.934 0.412 -5.629 1.00 0.00 N ATOM 700 CA GLU A 44 21.911 1.177 -6.431 1.00 0.00 C ATOM 701 C GLU A 44 22.010 2.637 -5.962 1.00 0.00 C ATOM 702 O GLU A 44 23.005 3.291 -6.234 1.00 0.00 O ATOM 703 CB GLU A 44 21.574 1.103 -7.949 1.00 0.00 C ATOM 704 CG GLU A 44 20.267 1.786 -8.362 1.00 0.00 C ATOM 705 CD GLU A 44 19.922 1.582 -9.847 1.00 0.00 C ATOM 706 OE1 GLU A 44 20.417 2.355 -10.697 1.00 0.00 O ATOM 707 OE2 GLU A 44 19.167 0.633 -10.168 1.00 0.00 O ATOM 0 H GLU A 44 20.059 0.220 -6.118 1.00 0.00 H new ATOM 0 HA GLU A 44 22.887 0.715 -6.279 1.00 0.00 H new ATOM 0 HB2 GLU A 44 22.393 1.554 -8.509 1.00 0.00 H new ATOM 0 HB3 GLU A 44 21.526 0.055 -8.243 1.00 0.00 H new ATOM 0 HG2 GLU A 44 19.453 1.399 -7.750 1.00 0.00 H new ATOM 0 HG3 GLU A 44 20.341 2.854 -8.156 1.00 0.00 H new ATOM 714 N LEU A 45 20.971 3.142 -5.261 1.00 0.00 N ATOM 715 CA LEU A 45 20.999 4.496 -4.660 1.00 0.00 C ATOM 716 C LEU A 45 21.916 4.540 -3.426 1.00 0.00 C ATOM 717 O LEU A 45 22.491 5.588 -3.123 1.00 0.00 O ATOM 718 CB LEU A 45 19.579 4.982 -4.278 1.00 0.00 C ATOM 719 CG LEU A 45 18.580 5.171 -5.453 1.00 0.00 C ATOM 720 CD1 LEU A 45 17.234 5.731 -4.941 1.00 0.00 C ATOM 721 CD2 LEU A 45 19.187 6.039 -6.582 1.00 0.00 C ATOM 0 H LEU A 45 20.102 2.633 -5.097 1.00 0.00 H new ATOM 0 HA LEU A 45 21.399 5.169 -5.418 1.00 0.00 H new ATOM 0 HB2 LEU A 45 19.150 4.268 -3.575 1.00 0.00 H new ATOM 0 HB3 LEU A 45 19.672 5.932 -3.751 1.00 0.00 H new ATOM 0 HG LEU A 45 18.380 4.193 -5.890 1.00 0.00 H new ATOM 0 HD11 LEU A 45 16.549 5.856 -5.780 1.00 0.00 H new ATOM 0 HD12 LEU A 45 16.802 5.037 -4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 45 17.400 6.696 -4.462 1.00 0.00 H new ATOM 0 HD21 LEU A 45 18.460 6.150 -7.387 1.00 0.00 H new ATOM 0 HD22 LEU A 45 19.444 7.022 -6.187 1.00 0.00 H new ATOM 0 HD23 LEU A 45 20.085 5.557 -6.968 1.00 0.00 H new ATOM 733 N ILE A 46 22.026 3.401 -2.717 1.00 0.00 N ATOM 734 CA ILE A 46 22.955 3.251 -1.577 1.00 0.00 C ATOM 735 C ILE A 46 24.401 3.322 -2.100 1.00 0.00 C ATOM 736 O ILE A 46 25.240 4.053 -1.562 1.00 0.00 O ATOM 737 CB ILE A 46 22.731 1.886 -0.816 1.00 0.00 C ATOM 738 CG1 ILE A 46 21.222 1.699 -0.448 1.00 0.00 C ATOM 739 CG2 ILE A 46 23.636 1.787 0.444 1.00 0.00 C ATOM 740 CD1 ILE A 46 20.872 0.341 0.152 1.00 0.00 C ATOM 0 H ILE A 46 21.479 2.563 -2.915 1.00 0.00 H new ATOM 0 HA ILE A 46 22.765 4.058 -0.869 1.00 0.00 H new ATOM 0 HB ILE A 46 23.017 1.076 -1.487 1.00 0.00 H new ATOM 0 HG12 ILE A 46 20.936 2.477 0.260 1.00 0.00 H new ATOM 0 HG13 ILE A 46 20.623 1.849 -1.346 1.00 0.00 H new ATOM 0 HG21 ILE A 46 23.458 0.836 0.946 1.00 0.00 H new ATOM 0 HG22 ILE A 46 24.683 1.850 0.146 1.00 0.00 H new ATOM 0 HG23 ILE A 46 23.403 2.606 1.125 1.00 0.00 H new ATOM 0 HD11 ILE A 46 19.806 0.305 0.374 1.00 0.00 H new ATOM 0 HD12 ILE A 46 21.121 -0.446 -0.560 1.00 0.00 H new ATOM 0 HD13 ILE A 46 21.439 0.192 1.071 1.00 0.00 H new ATOM 752 N GLU A 47 24.645 2.572 -3.192 1.00 0.00 N ATOM 753 CA GLU A 47 25.937 2.562 -3.897 1.00 0.00 C ATOM 754 C GLU A 47 26.257 3.951 -4.478 1.00 0.00 C ATOM 755 O GLU A 47 27.382 4.425 -4.371 1.00 0.00 O ATOM 756 CB GLU A 47 25.926 1.514 -5.042 1.00 0.00 C ATOM 757 CG GLU A 47 27.212 1.494 -5.894 1.00 0.00 C ATOM 758 CD GLU A 47 27.154 0.515 -7.075 1.00 0.00 C ATOM 759 OE1 GLU A 47 26.446 0.806 -8.061 1.00 0.00 O ATOM 760 OE2 GLU A 47 27.814 -0.540 -7.036 1.00 0.00 O ATOM 0 H GLU A 47 23.948 1.955 -3.609 1.00 0.00 H new ATOM 0 HA GLU A 47 26.707 2.296 -3.173 1.00 0.00 H new ATOM 0 HB2 GLU A 47 25.773 0.524 -4.612 1.00 0.00 H new ATOM 0 HB3 GLU A 47 25.075 1.713 -5.693 1.00 0.00 H new ATOM 0 HG2 GLU A 47 27.401 2.498 -6.274 1.00 0.00 H new ATOM 0 HG3 GLU A 47 28.056 1.231 -5.256 1.00 0.00 H new ATOM 767 N ALA A 48 25.239 4.588 -5.086 1.00 0.00 N ATOM 768 CA ALA A 48 25.392 5.893 -5.766 1.00 0.00 C ATOM 769 C ALA A 48 25.718 7.008 -4.751 1.00 0.00 C ATOM 770 O ALA A 48 26.434 7.956 -5.074 1.00 0.00 O ATOM 771 CB ALA A 48 24.133 6.250 -6.572 1.00 0.00 C ATOM 0 H ALA A 48 24.290 4.216 -5.121 1.00 0.00 H new ATOM 0 HA ALA A 48 26.227 5.807 -6.462 1.00 0.00 H new ATOM 0 HB1 ALA A 48 24.275 7.214 -7.061 1.00 0.00 H new ATOM 0 HB2 ALA A 48 23.954 5.484 -7.326 1.00 0.00 H new ATOM 0 HB3 ALA A 48 23.275 6.306 -5.902 1.00 0.00 H new ATOM 777 N PHE A 49 25.175 6.862 -3.525 1.00 0.00 N ATOM 778 CA PHE A 49 25.490 7.731 -2.371 1.00 0.00 C ATOM 779 C PHE A 49 26.992 7.623 -2.005 1.00 0.00 C ATOM 780 O PHE A 49 27.655 8.636 -1.744 1.00 0.00 O ATOM 781 CB PHE A 49 24.585 7.339 -1.163 1.00 0.00 C ATOM 782 CG PHE A 49 24.975 7.992 0.162 1.00 0.00 C ATOM 783 CD1 PHE A 49 24.739 9.347 0.388 1.00 0.00 C ATOM 784 CD2 PHE A 49 25.606 7.256 1.170 1.00 0.00 C ATOM 785 CE1 PHE A 49 25.127 9.944 1.571 1.00 0.00 C ATOM 786 CE2 PHE A 49 25.985 7.856 2.356 1.00 0.00 C ATOM 787 CZ PHE A 49 25.749 9.199 2.551 1.00 0.00 C ATOM 0 H PHE A 49 24.499 6.131 -3.305 1.00 0.00 H new ATOM 0 HA PHE A 49 25.289 8.769 -2.634 1.00 0.00 H new ATOM 0 HB2 PHE A 49 23.555 7.607 -1.396 1.00 0.00 H new ATOM 0 HB3 PHE A 49 24.613 6.256 -1.041 1.00 0.00 H new ATOM 0 HD1 PHE A 49 24.247 9.937 -0.371 1.00 0.00 H new ATOM 0 HD2 PHE A 49 25.800 6.204 1.020 1.00 0.00 H new ATOM 0 HE1 PHE A 49 24.943 10.996 1.729 1.00 0.00 H new ATOM 0 HE2 PHE A 49 26.465 7.273 3.128 1.00 0.00 H new ATOM 0 HZ PHE A 49 26.052 9.670 3.474 1.00 0.00 H new ATOM 797 N LEU A 50 27.504 6.380 -2.000 1.00 0.00 N ATOM 798 CA LEU A 50 28.925 6.084 -1.715 1.00 0.00 C ATOM 799 C LEU A 50 29.819 6.550 -2.895 1.00 0.00 C ATOM 800 O LEU A 50 30.972 6.935 -2.698 1.00 0.00 O ATOM 801 CB LEU A 50 29.094 4.561 -1.445 1.00 0.00 C ATOM 802 CG LEU A 50 28.261 3.981 -0.251 1.00 0.00 C ATOM 803 CD1 LEU A 50 28.373 2.442 -0.178 1.00 0.00 C ATOM 804 CD2 LEU A 50 28.656 4.648 1.088 1.00 0.00 C ATOM 0 H LEU A 50 26.946 5.549 -2.193 1.00 0.00 H new ATOM 0 HA LEU A 50 29.240 6.630 -0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.821 4.019 -2.350 1.00 0.00 H new ATOM 0 HB3 LEU A 50 30.149 4.360 -1.258 1.00 0.00 H new ATOM 0 HG LEU A 50 27.213 4.219 -0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 50 27.783 2.074 0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.998 2.006 -1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 50 29.417 2.159 -0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 50 28.060 4.223 1.896 1.00 0.00 H new ATOM 0 HD22 LEU A 50 29.713 4.470 1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 50 28.474 5.721 1.028 1.00 0.00 H new ATOM 816 N ASN A 51 29.248 6.538 -4.126 1.00 0.00 N ATOM 817 CA ASN A 51 29.927 7.030 -5.359 1.00 0.00 C ATOM 818 C ASN A 51 29.936 8.567 -5.413 1.00 0.00 C ATOM 819 O ASN A 51 30.672 9.155 -6.206 1.00 0.00 O ATOM 820 CB ASN A 51 29.250 6.463 -6.645 1.00 0.00 C ATOM 821 CG ASN A 51 29.354 4.941 -6.768 1.00 0.00 C ATOM 822 OD1 ASN A 51 30.292 4.324 -6.260 1.00 0.00 O ATOM 823 ND2 ASN A 51 28.411 4.328 -7.466 1.00 0.00 N ATOM 0 H ASN A 51 28.305 6.188 -4.295 1.00 0.00 H new ATOM 0 HA ASN A 51 30.956 6.674 -5.321 1.00 0.00 H new ATOM 0 HB2 ASN A 51 28.198 6.749 -6.649 1.00 0.00 H new ATOM 0 HB3 ASN A 51 29.709 6.923 -7.521 1.00 0.00 H new ATOM 0 HD21 ASN A 51 28.448 3.317 -7.596 1.00 0.00 H new ATOM 0 HD22 ASN A 51 27.647 4.867 -7.874 1.00 0.00 H new ATOM 830 N SER A 52 29.088 9.205 -4.585 1.00 0.00 N ATOM 831 CA SER A 52 29.082 10.672 -4.403 1.00 0.00 C ATOM 832 C SER A 52 30.165 11.093 -3.381 1.00 0.00 C ATOM 833 O SER A 52 30.466 12.279 -3.242 1.00 0.00 O ATOM 834 CB SER A 52 27.681 11.137 -3.933 1.00 0.00 C ATOM 835 OG SER A 52 26.675 10.714 -4.840 1.00 0.00 O ATOM 0 H SER A 52 28.388 8.721 -4.023 1.00 0.00 H new ATOM 0 HA SER A 52 29.309 11.149 -5.357 1.00 0.00 H new ATOM 0 HB2 SER A 52 27.474 10.735 -2.941 1.00 0.00 H new ATOM 0 HB3 SER A 52 27.664 12.223 -3.846 1.00 0.00 H new ATOM 0 HG SER A 52 26.619 9.736 -4.834 1.00 0.00 H new ATOM 954 N GLN B 5 12.997 1.200 -8.518 1.00 0.00 N ATOM 955 CA GLN B 5 13.778 1.994 -7.549 1.00 0.00 C ATOM 956 C GLN B 5 12.867 2.526 -6.426 1.00 0.00 C ATOM 957 O GLN B 5 12.364 3.660 -6.485 1.00 0.00 O ATOM 958 CB GLN B 5 14.576 3.129 -8.268 1.00 0.00 C ATOM 959 CG GLN B 5 15.879 3.526 -7.555 1.00 0.00 C ATOM 960 CD GLN B 5 16.898 2.377 -7.462 1.00 0.00 C ATOM 961 OE1 GLN B 5 17.663 2.273 -6.509 1.00 0.00 O ATOM 962 NE2 GLN B 5 16.947 1.524 -8.469 1.00 0.00 N ATOM 0 HA GLN B 5 14.518 1.346 -7.079 1.00 0.00 H new ATOM 0 HB2 GLN B 5 14.813 2.806 -9.282 1.00 0.00 H new ATOM 0 HB3 GLN B 5 13.938 4.009 -8.354 1.00 0.00 H new ATOM 0 HG2 GLN B 5 16.334 4.363 -8.084 1.00 0.00 H new ATOM 0 HG3 GLN B 5 15.643 3.875 -6.550 1.00 0.00 H new ATOM 0 HE21 GLN B 5 16.304 1.624 -9.254 1.00 0.00 H new ATOM 0 HE22 GLN B 5 17.628 0.765 -8.462 1.00 0.00 H new ATOM 971 N THR B 6 12.651 1.681 -5.407 1.00 0.00 N ATOM 972 CA THR B 6 11.519 1.822 -4.481 1.00 0.00 C ATOM 973 C THR B 6 11.988 1.809 -3.009 1.00 0.00 C ATOM 974 O THR B 6 13.179 1.636 -2.720 1.00 0.00 O ATOM 975 CB THR B 6 10.484 0.655 -4.759 1.00 0.00 C ATOM 976 OG1 THR B 6 10.650 0.154 -6.098 1.00 0.00 O ATOM 977 CG2 THR B 6 9.031 1.114 -4.606 1.00 0.00 C ATOM 0 H THR B 6 13.254 0.884 -5.203 1.00 0.00 H new ATOM 0 HA THR B 6 11.037 2.785 -4.649 1.00 0.00 H new ATOM 0 HB THR B 6 10.687 -0.121 -4.021 1.00 0.00 H new ATOM 0 HG1 THR B 6 10.007 -0.568 -6.259 1.00 0.00 H new ATOM 0 HG21 THR B 6 8.362 0.277 -4.807 1.00 0.00 H new ATOM 0 HG22 THR B 6 8.868 1.473 -3.590 1.00 0.00 H new ATOM 0 HG23 THR B 6 8.827 1.919 -5.312 1.00 0.00 H new ATOM 985 N ALA B 7 11.031 2.002 -2.094 1.00 0.00 N ATOM 986 CA ALA B 7 11.244 1.956 -0.646 1.00 0.00 C ATOM 987 C ALA B 7 9.889 2.022 0.073 1.00 0.00 C ATOM 988 O ALA B 7 8.848 2.310 -0.539 1.00 0.00 O ATOM 989 CB ALA B 7 12.170 3.098 -0.172 1.00 0.00 C ATOM 0 H ALA B 7 10.063 2.199 -2.348 1.00 0.00 H new ATOM 0 HA ALA B 7 11.739 1.017 -0.399 1.00 0.00 H new ATOM 0 HB1 ALA B 7 12.305 3.032 0.908 1.00 0.00 H new ATOM 0 HB2 ALA B 7 13.138 3.010 -0.665 1.00 0.00 H new ATOM 0 HB3 ALA B 7 11.721 4.059 -0.423 1.00 0.00 H new ATOM 995 N ARG B 8 9.919 1.756 1.374 1.00 0.00 N ATOM 996 CA ARG B 8 8.745 1.821 2.257 1.00 0.00 C ATOM 997 C ARG B 8 8.918 3.004 3.226 1.00 0.00 C ATOM 998 O ARG B 8 10.046 3.334 3.599 1.00 0.00 O ATOM 999 CB ARG B 8 8.614 0.492 3.045 1.00 0.00 C ATOM 1000 CG ARG B 8 7.376 0.406 3.970 1.00 0.00 C ATOM 1001 CD ARG B 8 7.343 -0.892 4.787 1.00 0.00 C ATOM 1002 NE ARG B 8 6.141 -0.981 5.632 1.00 0.00 N ATOM 1003 CZ ARG B 8 5.991 -1.824 6.651 1.00 0.00 C ATOM 1004 NH1 ARG B 8 6.978 -2.635 7.032 1.00 0.00 N ATOM 1005 NH2 ARG B 8 4.852 -1.832 7.307 1.00 0.00 N ATOM 0 H ARG B 8 10.773 1.483 1.860 1.00 0.00 H new ATOM 0 HA ARG B 8 7.839 1.966 1.668 1.00 0.00 H new ATOM 0 HB2 ARG B 8 8.577 -0.334 2.334 1.00 0.00 H new ATOM 0 HB3 ARG B 8 9.511 0.353 3.648 1.00 0.00 H new ATOM 0 HG2 ARG B 8 7.373 1.259 4.649 1.00 0.00 H new ATOM 0 HG3 ARG B 8 6.470 0.475 3.367 1.00 0.00 H new ATOM 0 HD2 ARG B 8 7.375 -1.747 4.111 1.00 0.00 H new ATOM 0 HD3 ARG B 8 8.232 -0.948 5.415 1.00 0.00 H new ATOM 0 HE ARG B 8 5.367 -0.351 5.421 1.00 0.00 H new ATOM 0 HH11 ARG B 8 7.871 -2.618 6.540 1.00 0.00 H new ATOM 0 HH12 ARG B 8 6.840 -3.273 7.816 1.00 0.00 H new ATOM 0 HH21 ARG B 8 4.101 -1.199 7.032 1.00 0.00 H new ATOM 0 HH22 ARG B 8 4.719 -2.471 8.091 1.00 0.00 H new