USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 490 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.126 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot -52:sc= 0.00187 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0173 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 108:sc= -0.42 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 37:sc= -0.93 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.38 K(o=-0.38,f=-2.5!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.164 X(o=-0.16,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 38 SER OG : rot 65:sc= 1.14 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00805 USER MOD Single : A 43 GLN : amide:sc= -0.284 X(o=-0.28,f=-0.15) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 51 GLN : amide:sc= -0.205 X(o=-0.2,f=-0.55) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -112:sc= -0.769 USER MOD Single : A 60 SER OG : rot 180:sc= 0.0254 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -38.341 12.321 3.302 1.00 0.00 N ATOM 2 CA GLY A 1 -38.745 13.019 4.556 1.00 0.00 C ATOM 3 C GLY A 1 -37.541 13.122 5.497 1.00 0.00 C ATOM 4 O GLY A 1 -36.438 12.772 5.128 1.00 0.00 O ATOM 0 H1 GLY A 1 -38.479 12.957 2.491 1.00 0.00 H new ATOM 0 H2 GLY A 1 -37.339 12.050 3.363 1.00 0.00 H new ATOM 0 H3 GLY A 1 -38.923 11.468 3.176 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -39.124 14.014 4.324 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -39.554 12.475 5.043 1.00 0.00 H new ATOM 10 N PRO A 2 -37.792 13.602 6.689 1.00 0.00 N ATOM 11 CA PRO A 2 -36.707 13.750 7.690 1.00 0.00 C ATOM 12 C PRO A 2 -36.286 12.379 8.230 1.00 0.00 C ATOM 13 O PRO A 2 -35.161 12.185 8.647 1.00 0.00 O ATOM 14 CB PRO A 2 -37.346 14.593 8.790 1.00 0.00 C ATOM 15 CG PRO A 2 -38.816 14.346 8.664 1.00 0.00 C ATOM 16 CD PRO A 2 -39.091 14.047 7.213 1.00 0.00 C ATOM 0 HA PRO A 2 -35.806 14.205 7.280 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -36.980 14.301 9.774 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -37.111 15.650 8.664 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -39.122 13.511 9.294 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -39.383 15.217 8.992 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -39.852 13.275 7.102 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -39.453 14.929 6.685 1.00 0.00 H new ATOM 24 N MET A 3 -37.182 11.430 8.224 1.00 0.00 N ATOM 25 CA MET A 3 -36.838 10.070 8.736 1.00 0.00 C ATOM 26 C MET A 3 -35.882 9.367 7.767 1.00 0.00 C ATOM 27 O MET A 3 -35.213 9.999 6.973 1.00 0.00 O ATOM 28 CB MET A 3 -38.171 9.325 8.812 1.00 0.00 C ATOM 29 CG MET A 3 -38.216 8.479 10.086 1.00 0.00 C ATOM 30 SD MET A 3 -39.433 7.154 9.888 1.00 0.00 S ATOM 31 CE MET A 3 -39.701 6.825 11.647 1.00 0.00 C ATOM 0 H MET A 3 -38.139 11.536 7.887 1.00 0.00 H new ATOM 0 HA MET A 3 -36.338 10.107 9.704 1.00 0.00 H new ATOM 0 HB2 MET A 3 -38.997 10.036 8.807 1.00 0.00 H new ATOM 0 HB3 MET A 3 -38.293 8.688 7.936 1.00 0.00 H new ATOM 0 HG2 MET A 3 -37.232 8.056 10.289 1.00 0.00 H new ATOM 0 HG3 MET A 3 -38.478 9.103 10.941 1.00 0.00 H new ATOM 0 HE1 MET A 3 -40.432 6.024 11.760 1.00 0.00 H new ATOM 0 HE2 MET A 3 -38.760 6.525 12.109 1.00 0.00 H new ATOM 0 HE3 MET A 3 -40.073 7.727 12.133 1.00 0.00 H new ATOM 41 N SER A 4 -35.814 8.062 7.828 1.00 0.00 N ATOM 42 CA SER A 4 -34.902 7.307 6.913 1.00 0.00 C ATOM 43 C SER A 4 -33.474 7.855 7.006 1.00 0.00 C ATOM 44 O SER A 4 -32.734 7.847 6.041 1.00 0.00 O ATOM 45 CB SER A 4 -35.469 7.528 5.510 1.00 0.00 C ATOM 46 OG SER A 4 -35.040 6.472 4.660 1.00 0.00 O ATOM 0 H SER A 4 -36.352 7.484 8.474 1.00 0.00 H new ATOM 0 HA SER A 4 -34.851 6.249 7.171 1.00 0.00 H new ATOM 0 HB2 SER A 4 -36.558 7.562 5.546 1.00 0.00 H new ATOM 0 HB3 SER A 4 -35.133 8.487 5.116 1.00 0.00 H new ATOM 0 HG SER A 4 -34.066 6.381 4.717 1.00 0.00 H new ATOM 52 N THR A 5 -33.083 8.330 8.159 1.00 0.00 N ATOM 53 CA THR A 5 -31.702 8.878 8.312 1.00 0.00 C ATOM 54 C THR A 5 -30.678 7.740 8.306 1.00 0.00 C ATOM 55 O THR A 5 -29.565 7.899 7.844 1.00 0.00 O ATOM 56 CB THR A 5 -31.703 9.595 9.663 1.00 0.00 C ATOM 57 OG1 THR A 5 -32.164 8.704 10.669 1.00 0.00 O ATOM 58 CG2 THR A 5 -32.623 10.814 9.595 1.00 0.00 C ATOM 0 H THR A 5 -33.659 8.363 9.000 1.00 0.00 H new ATOM 0 HA THR A 5 -31.433 9.551 7.497 1.00 0.00 H new ATOM 0 HB THR A 5 -30.691 9.921 9.903 1.00 0.00 H new ATOM 0 HG1 THR A 5 -32.164 9.161 11.536 1.00 0.00 H new ATOM 0 HG21 THR A 5 -32.623 11.324 10.558 1.00 0.00 H new ATOM 0 HG22 THR A 5 -32.267 11.496 8.823 1.00 0.00 H new ATOM 0 HG23 THR A 5 -33.636 10.492 9.355 1.00 0.00 H new ATOM 66 N THR A 6 -31.048 6.595 8.811 1.00 0.00 N ATOM 67 CA THR A 6 -30.097 5.444 8.830 1.00 0.00 C ATOM 68 C THR A 6 -29.563 5.180 7.418 1.00 0.00 C ATOM 69 O THR A 6 -28.484 4.648 7.241 1.00 0.00 O ATOM 70 CB THR A 6 -30.919 4.253 9.327 1.00 0.00 C ATOM 71 OG1 THR A 6 -32.079 4.109 8.518 1.00 0.00 O ATOM 72 CG2 THR A 6 -31.333 4.488 10.781 1.00 0.00 C ATOM 0 H THR A 6 -31.967 6.405 9.211 1.00 0.00 H new ATOM 0 HA THR A 6 -29.233 5.632 9.467 1.00 0.00 H new ATOM 0 HB THR A 6 -30.319 3.345 9.265 1.00 0.00 H new ATOM 0 HG1 THR A 6 -32.606 3.345 8.834 1.00 0.00 H new ATOM 0 HG21 THR A 6 -31.919 3.639 11.134 1.00 0.00 H new ATOM 0 HG22 THR A 6 -30.442 4.597 11.400 1.00 0.00 H new ATOM 0 HG23 THR A 6 -31.934 5.395 10.846 1.00 0.00 H new ATOM 80 N GLU A 7 -30.313 5.548 6.412 1.00 0.00 N ATOM 81 CA GLU A 7 -29.854 5.320 5.010 1.00 0.00 C ATOM 82 C GLU A 7 -28.535 6.056 4.757 1.00 0.00 C ATOM 83 O GLU A 7 -27.565 5.472 4.312 1.00 0.00 O ATOM 84 CB GLU A 7 -30.965 5.895 4.129 1.00 0.00 C ATOM 85 CG GLU A 7 -30.745 5.461 2.678 1.00 0.00 C ATOM 86 CD GLU A 7 -32.098 5.255 1.996 1.00 0.00 C ATOM 87 OE1 GLU A 7 -32.684 4.202 2.191 1.00 0.00 O ATOM 88 OE2 GLU A 7 -32.526 6.152 1.291 1.00 0.00 O ATOM 0 H GLU A 7 -31.224 5.997 6.501 1.00 0.00 H new ATOM 0 HA GLU A 7 -29.674 4.265 4.803 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -31.937 5.548 4.480 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -30.971 6.983 4.197 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -30.168 6.217 2.145 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -30.166 4.538 2.647 1.00 0.00 H new ATOM 95 N VAL A 8 -28.491 7.331 5.038 1.00 0.00 N ATOM 96 CA VAL A 8 -27.231 8.102 4.816 1.00 0.00 C ATOM 97 C VAL A 8 -26.174 7.693 5.848 1.00 0.00 C ATOM 98 O VAL A 8 -24.987 7.820 5.616 1.00 0.00 O ATOM 99 CB VAL A 8 -27.620 9.577 4.978 1.00 0.00 C ATOM 100 CG1 VAL A 8 -28.229 9.811 6.362 1.00 0.00 C ATOM 101 CG2 VAL A 8 -26.375 10.454 4.816 1.00 0.00 C ATOM 0 H VAL A 8 -29.271 7.872 5.411 1.00 0.00 H new ATOM 0 HA VAL A 8 -26.799 7.913 3.833 1.00 0.00 H new ATOM 0 HB VAL A 8 -28.355 9.836 4.216 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -28.502 10.861 6.467 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -29.119 9.192 6.477 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -27.501 9.547 7.129 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -26.651 11.502 4.931 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -25.640 10.187 5.576 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -25.946 10.298 3.826 1.00 0.00 H new ATOM 111 N ARG A 9 -26.594 7.202 6.985 1.00 0.00 N ATOM 112 CA ARG A 9 -25.611 6.784 8.028 1.00 0.00 C ATOM 113 C ARG A 9 -24.845 5.542 7.561 1.00 0.00 C ATOM 114 O ARG A 9 -23.630 5.505 7.587 1.00 0.00 O ATOM 115 CB ARG A 9 -26.451 6.463 9.269 1.00 0.00 C ATOM 116 CG ARG A 9 -26.007 7.349 10.435 1.00 0.00 C ATOM 117 CD ARG A 9 -26.796 8.662 10.413 1.00 0.00 C ATOM 118 NE ARG A 9 -25.766 9.730 10.292 1.00 0.00 N ATOM 119 CZ ARG A 9 -26.020 10.934 10.727 1.00 0.00 C ATOM 120 NH1 ARG A 9 -26.630 11.791 9.954 1.00 0.00 N ATOM 121 NH2 ARG A 9 -25.666 11.281 11.934 1.00 0.00 N ATOM 0 H ARG A 9 -27.574 7.073 7.236 1.00 0.00 H new ATOM 0 HA ARG A 9 -24.871 7.559 8.231 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -27.508 6.626 9.057 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -26.338 5.412 9.535 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -26.169 6.831 11.380 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -24.939 7.554 10.363 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -27.493 8.689 9.575 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -27.385 8.783 11.322 1.00 0.00 H new ATOM 0 HE ARG A 9 -24.862 9.521 9.869 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -26.908 11.519 9.011 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -26.829 12.732 10.293 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -25.190 10.611 12.538 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -25.865 12.222 12.273 1.00 0.00 H new ATOM 135 N GLU A 10 -25.547 4.527 7.131 1.00 0.00 N ATOM 136 CA GLU A 10 -24.861 3.288 6.660 1.00 0.00 C ATOM 137 C GLU A 10 -23.989 3.601 5.442 1.00 0.00 C ATOM 138 O GLU A 10 -22.869 3.140 5.332 1.00 0.00 O ATOM 139 CB GLU A 10 -25.987 2.324 6.281 1.00 0.00 C ATOM 140 CG GLU A 10 -25.604 0.902 6.693 1.00 0.00 C ATOM 141 CD GLU A 10 -26.865 0.124 7.078 1.00 0.00 C ATOM 142 OE1 GLU A 10 -27.851 0.247 6.371 1.00 0.00 O ATOM 143 OE2 GLU A 10 -26.820 -0.582 8.072 1.00 0.00 O ATOM 0 H GLU A 10 -26.566 4.502 7.086 1.00 0.00 H new ATOM 0 HA GLU A 10 -24.206 2.865 7.422 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -26.914 2.619 6.773 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -26.169 2.366 5.207 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -25.091 0.400 5.873 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -24.910 0.930 7.533 1.00 0.00 H new ATOM 150 N ARG A 11 -24.494 4.385 4.527 1.00 0.00 N ATOM 151 CA ARG A 11 -23.694 4.731 3.315 1.00 0.00 C ATOM 152 C ARG A 11 -22.461 5.546 3.714 1.00 0.00 C ATOM 153 O ARG A 11 -21.431 5.486 3.071 1.00 0.00 O ATOM 154 CB ARG A 11 -24.632 5.569 2.444 1.00 0.00 C ATOM 155 CG ARG A 11 -25.293 4.672 1.392 1.00 0.00 C ATOM 156 CD ARG A 11 -25.288 5.382 0.036 1.00 0.00 C ATOM 157 NE ARG A 11 -24.073 4.874 -0.657 1.00 0.00 N ATOM 158 CZ ARG A 11 -24.015 4.880 -1.962 1.00 0.00 C ATOM 159 NH1 ARG A 11 -24.531 3.893 -2.641 1.00 0.00 N ATOM 160 NH2 ARG A 11 -23.441 5.873 -2.585 1.00 0.00 N ATOM 0 H ARG A 11 -25.425 4.801 4.566 1.00 0.00 H new ATOM 0 HA ARG A 11 -23.335 3.846 2.790 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -25.394 6.043 3.063 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -24.075 6.369 1.956 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -24.759 3.725 1.320 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -26.316 4.440 1.688 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -26.190 5.156 -0.532 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -25.250 6.465 0.157 1.00 0.00 H new ATOM 0 HE ARG A 11 -23.286 4.521 -0.113 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -24.979 3.118 -2.153 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -24.486 3.897 -3.660 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -23.038 6.644 -2.053 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -23.396 5.878 -3.604 1.00 0.00 H new ATOM 174 N ARG A 12 -22.559 6.306 4.772 1.00 0.00 N ATOM 175 CA ARG A 12 -21.393 7.126 5.215 1.00 0.00 C ATOM 176 C ARG A 12 -20.319 6.225 5.828 1.00 0.00 C ATOM 177 O ARG A 12 -19.140 6.511 5.754 1.00 0.00 O ATOM 178 CB ARG A 12 -21.957 8.082 6.268 1.00 0.00 C ATOM 179 CG ARG A 12 -22.630 9.266 5.573 1.00 0.00 C ATOM 180 CD ARG A 12 -21.613 10.393 5.382 1.00 0.00 C ATOM 181 NE ARG A 12 -22.236 11.311 4.389 1.00 0.00 N ATOM 182 CZ ARG A 12 -21.492 12.146 3.716 1.00 0.00 C ATOM 183 NH1 ARG A 12 -20.613 12.883 4.338 1.00 0.00 N ATOM 184 NH2 ARG A 12 -21.627 12.243 2.422 1.00 0.00 N ATOM 0 H ARG A 12 -23.396 6.395 5.349 1.00 0.00 H new ATOM 0 HA ARG A 12 -20.926 7.662 4.389 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -22.676 7.561 6.900 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -21.158 8.435 6.919 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -23.029 8.955 4.608 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -23.472 9.619 6.168 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -21.412 10.907 6.322 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -20.660 10.007 5.019 1.00 0.00 H new ATOM 0 HE ARG A 12 -23.244 11.287 4.235 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -20.508 12.806 5.350 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -20.031 13.536 3.813 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -22.314 11.666 1.936 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -21.046 12.896 1.896 1.00 0.00 H new ATOM 198 N ARG A 13 -20.719 5.137 6.433 1.00 0.00 N ATOM 199 CA ARG A 13 -19.724 4.213 7.053 1.00 0.00 C ATOM 200 C ARG A 13 -19.020 3.388 5.970 1.00 0.00 C ATOM 201 O ARG A 13 -17.867 3.029 6.100 1.00 0.00 O ATOM 202 CB ARG A 13 -20.542 3.305 7.971 1.00 0.00 C ATOM 203 CG ARG A 13 -20.513 3.861 9.396 1.00 0.00 C ATOM 204 CD ARG A 13 -20.989 2.786 10.375 1.00 0.00 C ATOM 205 NE ARG A 13 -19.772 1.987 10.688 1.00 0.00 N ATOM 206 CZ ARG A 13 -19.431 1.780 11.931 1.00 0.00 C ATOM 207 NH1 ARG A 13 -19.144 2.790 12.706 1.00 0.00 N ATOM 208 NH2 ARG A 13 -19.376 0.563 12.399 1.00 0.00 N ATOM 0 H ARG A 13 -21.693 4.848 6.524 1.00 0.00 H new ATOM 0 HA ARG A 13 -18.948 4.750 7.598 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -21.570 3.241 7.615 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -20.136 2.294 7.956 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -19.503 4.179 9.653 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -21.152 4.741 9.467 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -21.412 3.231 11.276 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -21.767 2.164 9.932 1.00 0.00 H new ATOM 0 HE ARG A 13 -19.206 1.602 9.932 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -19.186 3.741 12.341 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -18.878 2.628 13.677 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -19.599 -0.227 11.794 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -19.109 0.402 13.370 1.00 0.00 H new ATOM 222 N SER A 14 -19.709 3.085 4.903 1.00 0.00 N ATOM 223 CA SER A 14 -19.090 2.281 3.804 1.00 0.00 C ATOM 224 C SER A 14 -17.783 2.926 3.331 1.00 0.00 C ATOM 225 O SER A 14 -16.882 2.247 2.878 1.00 0.00 O ATOM 226 CB SER A 14 -20.115 2.267 2.668 1.00 0.00 C ATOM 227 OG SER A 14 -21.272 3.003 3.052 1.00 0.00 O ATOM 0 H SER A 14 -20.678 3.360 4.742 1.00 0.00 H new ATOM 0 HA SER A 14 -18.845 1.273 4.140 1.00 0.00 H new ATOM 0 HB2 SER A 14 -19.679 2.701 1.768 1.00 0.00 H new ATOM 0 HB3 SER A 14 -20.390 1.240 2.427 1.00 0.00 H new ATOM 0 HG SER A 14 -21.298 3.851 2.562 1.00 0.00 H new ATOM 233 N TYR A 15 -17.680 4.230 3.420 1.00 0.00 N ATOM 234 CA TYR A 15 -16.434 4.929 2.965 1.00 0.00 C ATOM 235 C TYR A 15 -15.182 4.152 3.398 1.00 0.00 C ATOM 236 O TYR A 15 -14.163 4.179 2.734 1.00 0.00 O ATOM 237 CB TYR A 15 -16.491 6.317 3.626 1.00 0.00 C ATOM 238 CG TYR A 15 -15.800 6.296 4.974 1.00 0.00 C ATOM 239 CD1 TYR A 15 -16.412 5.672 6.067 1.00 0.00 C ATOM 240 CD2 TYR A 15 -14.546 6.902 5.126 1.00 0.00 C ATOM 241 CE1 TYR A 15 -15.773 5.653 7.311 1.00 0.00 C ATOM 242 CE2 TYR A 15 -13.907 6.884 6.372 1.00 0.00 C ATOM 243 CZ TYR A 15 -14.520 6.258 7.464 1.00 0.00 C ATOM 244 OH TYR A 15 -13.890 6.241 8.692 1.00 0.00 O ATOM 0 H TYR A 15 -18.407 4.843 3.789 1.00 0.00 H new ATOM 0 HA TYR A 15 -16.377 5.004 1.879 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -16.015 7.053 2.979 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -17.529 6.625 3.749 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -17.379 5.205 5.950 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -14.072 7.383 4.283 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -16.246 5.171 8.154 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -12.941 7.353 6.491 1.00 0.00 H new ATOM 0 HH TYR A 15 -13.029 6.704 8.624 1.00 0.00 H new ATOM 254 N LEU A 16 -15.256 3.455 4.500 1.00 0.00 N ATOM 255 CA LEU A 16 -14.080 2.670 4.967 1.00 0.00 C ATOM 256 C LEU A 16 -14.541 1.444 5.752 1.00 0.00 C ATOM 257 O LEU A 16 -13.861 0.967 6.639 1.00 0.00 O ATOM 258 CB LEU A 16 -13.284 3.629 5.858 1.00 0.00 C ATOM 259 CG LEU A 16 -12.045 2.925 6.432 1.00 0.00 C ATOM 260 CD1 LEU A 16 -11.339 2.113 5.340 1.00 0.00 C ATOM 261 CD2 LEU A 16 -11.078 3.973 6.985 1.00 0.00 C ATOM 0 H LEU A 16 -16.081 3.396 5.097 1.00 0.00 H new ATOM 0 HA LEU A 16 -13.475 2.299 4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -12.979 4.502 5.281 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.915 3.988 6.671 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.360 2.250 7.228 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.463 1.620 5.762 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.023 1.362 4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.028 2.779 4.535 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.198 3.476 7.393 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.775 4.648 6.184 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.571 4.543 7.773 1.00 0.00 H new ATOM 273 N THR A 17 -15.688 0.917 5.427 1.00 0.00 N ATOM 274 CA THR A 17 -16.168 -0.287 6.159 1.00 0.00 C ATOM 275 C THR A 17 -15.134 -1.423 6.043 1.00 0.00 C ATOM 276 O THR A 17 -14.852 -2.092 7.017 1.00 0.00 O ATOM 277 CB THR A 17 -17.505 -0.663 5.503 1.00 0.00 C ATOM 278 OG1 THR A 17 -18.523 0.195 5.999 1.00 0.00 O ATOM 279 CG2 THR A 17 -17.866 -2.115 5.833 1.00 0.00 C ATOM 0 H THR A 17 -16.308 1.263 4.695 1.00 0.00 H new ATOM 0 HA THR A 17 -16.300 -0.101 7.225 1.00 0.00 H new ATOM 0 HB THR A 17 -17.416 -0.555 4.422 1.00 0.00 H new ATOM 0 HG1 THR A 17 -18.158 1.095 6.129 1.00 0.00 H new ATOM 0 HG21 THR A 17 -18.816 -2.370 5.362 1.00 0.00 H new ATOM 0 HG22 THR A 17 -17.086 -2.778 5.458 1.00 0.00 H new ATOM 0 HG23 THR A 17 -17.953 -2.232 6.913 1.00 0.00 H new ATOM 287 N PRO A 18 -14.591 -1.604 4.860 1.00 0.00 N ATOM 288 CA PRO A 18 -13.584 -2.654 4.643 1.00 0.00 C ATOM 289 C PRO A 18 -12.184 -2.074 4.828 1.00 0.00 C ATOM 290 O PRO A 18 -11.565 -1.609 3.892 1.00 0.00 O ATOM 291 CB PRO A 18 -13.811 -3.050 3.191 1.00 0.00 C ATOM 292 CG PRO A 18 -14.438 -1.849 2.535 1.00 0.00 C ATOM 293 CD PRO A 18 -14.847 -0.876 3.620 1.00 0.00 C ATOM 0 HA PRO A 18 -13.668 -3.494 5.333 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -12.872 -3.315 2.706 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -14.463 -3.920 3.120 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -13.733 -1.379 1.849 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -15.305 -2.147 1.946 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -14.266 0.045 3.570 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.897 -0.596 3.531 1.00 0.00 H new ATOM 301 N VAL A 19 -11.686 -2.088 6.030 1.00 0.00 N ATOM 302 CA VAL A 19 -10.328 -1.526 6.276 1.00 0.00 C ATOM 303 C VAL A 19 -9.249 -2.509 5.820 1.00 0.00 C ATOM 304 O VAL A 19 -8.074 -2.199 5.810 1.00 0.00 O ATOM 305 CB VAL A 19 -10.255 -1.307 7.786 1.00 0.00 C ATOM 306 CG1 VAL A 19 -8.898 -0.703 8.154 1.00 0.00 C ATOM 307 CG2 VAL A 19 -11.372 -0.352 8.218 1.00 0.00 C ATOM 0 H VAL A 19 -12.158 -2.463 6.853 1.00 0.00 H new ATOM 0 HA VAL A 19 -10.162 -0.602 5.722 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.375 -2.263 8.295 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.849 -0.548 9.232 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.102 -1.383 7.849 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.775 0.252 7.644 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.320 -0.195 9.295 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.252 0.603 7.706 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -12.339 -0.783 7.960 1.00 0.00 H new ATOM 317 N ARG A 20 -9.650 -3.686 5.443 1.00 0.00 N ATOM 318 CA ARG A 20 -8.670 -4.715 4.973 1.00 0.00 C ATOM 319 C ARG A 20 -7.697 -4.113 3.953 1.00 0.00 C ATOM 320 O ARG A 20 -6.568 -4.546 3.831 1.00 0.00 O ATOM 321 CB ARG A 20 -9.525 -5.803 4.316 1.00 0.00 C ATOM 322 CG ARG A 20 -10.523 -5.159 3.347 1.00 0.00 C ATOM 323 CD ARG A 20 -10.984 -6.197 2.321 1.00 0.00 C ATOM 324 NE ARG A 20 -12.210 -6.800 2.913 1.00 0.00 N ATOM 325 CZ ARG A 20 -12.455 -8.071 2.751 1.00 0.00 C ATOM 326 NH1 ARG A 20 -11.623 -8.960 3.221 1.00 0.00 N ATOM 327 NH2 ARG A 20 -13.532 -8.454 2.122 1.00 0.00 N ATOM 0 H ARG A 20 -10.624 -3.989 5.438 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.064 -5.103 5.791 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.887 -6.507 3.782 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.058 -6.371 5.079 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.380 -4.770 3.897 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.059 -4.313 2.840 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.197 -5.733 1.358 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.216 -6.951 2.149 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.858 -6.219 3.445 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.782 -8.661 3.715 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.814 -9.954 3.095 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -14.183 -7.759 1.756 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.723 -9.448 1.996 1.00 0.00 H new ATOM 341 N ASP A 21 -8.124 -3.116 3.221 1.00 0.00 N ATOM 342 CA ASP A 21 -7.220 -2.488 2.215 1.00 0.00 C ATOM 343 C ASP A 21 -6.211 -1.587 2.915 1.00 0.00 C ATOM 344 O ASP A 21 -5.098 -1.400 2.462 1.00 0.00 O ATOM 345 CB ASP A 21 -8.136 -1.671 1.302 1.00 0.00 C ATOM 346 CG ASP A 21 -7.350 -1.204 0.075 1.00 0.00 C ATOM 347 OD1 ASP A 21 -6.494 -1.948 -0.373 1.00 0.00 O ATOM 348 OD2 ASP A 21 -7.619 -0.111 -0.395 1.00 0.00 O ATOM 0 H ASP A 21 -9.059 -2.711 3.277 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.651 -3.227 1.651 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.990 -2.274 0.992 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.532 -0.811 1.842 1.00 0.00 H new ATOM 353 N GLU A 22 -6.600 -1.038 4.020 1.00 0.00 N ATOM 354 CA GLU A 22 -5.693 -0.148 4.784 1.00 0.00 C ATOM 355 C GLU A 22 -4.653 -0.984 5.531 1.00 0.00 C ATOM 356 O GLU A 22 -3.540 -0.552 5.759 1.00 0.00 O ATOM 357 CB GLU A 22 -6.596 0.595 5.770 1.00 0.00 C ATOM 358 CG GLU A 22 -6.999 1.946 5.177 1.00 0.00 C ATOM 359 CD GLU A 22 -7.403 2.900 6.303 1.00 0.00 C ATOM 360 OE1 GLU A 22 -6.811 2.815 7.366 1.00 0.00 O ATOM 361 OE2 GLU A 22 -8.300 3.697 6.082 1.00 0.00 O ATOM 0 H GLU A 22 -7.522 -1.169 4.435 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.148 0.542 4.139 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.484 0.001 5.984 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.075 0.742 6.716 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.169 2.368 4.609 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.828 1.817 4.481 1.00 0.00 H new ATOM 368 N GLU A 23 -5.010 -2.182 5.913 1.00 0.00 N ATOM 369 CA GLU A 23 -4.045 -3.054 6.645 1.00 0.00 C ATOM 370 C GLU A 23 -3.005 -3.620 5.675 1.00 0.00 C ATOM 371 O GLU A 23 -1.830 -3.683 5.978 1.00 0.00 O ATOM 372 CB GLU A 23 -4.895 -4.180 7.235 1.00 0.00 C ATOM 373 CG GLU A 23 -4.027 -5.043 8.155 1.00 0.00 C ATOM 374 CD GLU A 23 -4.101 -4.500 9.584 1.00 0.00 C ATOM 375 OE1 GLU A 23 -3.646 -3.389 9.799 1.00 0.00 O ATOM 376 OE2 GLU A 23 -4.610 -5.206 10.439 1.00 0.00 O ATOM 0 H GLU A 23 -5.929 -2.594 5.750 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.499 -2.509 7.416 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.734 -3.764 7.793 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.316 -4.790 6.436 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.369 -6.078 8.130 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.994 -5.040 7.806 1.00 0.00 H new ATOM 383 N SER A 24 -3.430 -4.031 4.510 1.00 0.00 N ATOM 384 CA SER A 24 -2.467 -4.593 3.518 1.00 0.00 C ATOM 385 C SER A 24 -1.522 -3.497 3.019 1.00 0.00 C ATOM 386 O SER A 24 -0.326 -3.692 2.927 1.00 0.00 O ATOM 387 CB SER A 24 -3.334 -5.116 2.373 1.00 0.00 C ATOM 388 OG SER A 24 -3.548 -6.510 2.545 1.00 0.00 O ATOM 0 H SER A 24 -4.402 -4.002 4.202 1.00 0.00 H new ATOM 0 HA SER A 24 -1.844 -5.378 3.947 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.288 -4.590 2.354 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.847 -4.926 1.417 1.00 0.00 H new ATOM 0 HG SER A 24 -4.105 -6.848 1.813 1.00 0.00 H new ATOM 394 N GLU A 25 -2.050 -2.346 2.697 1.00 0.00 N ATOM 395 CA GLU A 25 -1.183 -1.236 2.204 1.00 0.00 C ATOM 396 C GLU A 25 -0.315 -0.699 3.344 1.00 0.00 C ATOM 397 O GLU A 25 0.825 -0.325 3.145 1.00 0.00 O ATOM 398 CB GLU A 25 -2.152 -0.159 1.714 1.00 0.00 C ATOM 399 CG GLU A 25 -2.921 -0.678 0.496 1.00 0.00 C ATOM 400 CD GLU A 25 -1.954 -0.882 -0.672 1.00 0.00 C ATOM 401 OE1 GLU A 25 -1.045 -0.080 -0.809 1.00 0.00 O ATOM 402 OE2 GLU A 25 -2.138 -1.836 -1.408 1.00 0.00 O ATOM 0 H GLU A 25 -3.044 -2.126 2.754 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.506 -1.562 1.414 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.848 0.108 2.510 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.604 0.746 1.452 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.417 -1.618 0.739 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.701 0.031 0.216 1.00 0.00 H new ATOM 409 N SER A 26 -0.845 -0.659 4.538 1.00 0.00 N ATOM 410 CA SER A 26 -0.050 -0.146 5.693 1.00 0.00 C ATOM 411 C SER A 26 0.994 -1.183 6.118 1.00 0.00 C ATOM 412 O SER A 26 2.104 -0.846 6.484 1.00 0.00 O ATOM 413 CB SER A 26 -1.069 0.075 6.810 1.00 0.00 C ATOM 414 OG SER A 26 -0.402 0.571 7.963 1.00 0.00 O ATOM 0 H SER A 26 -1.793 -0.959 4.764 1.00 0.00 H new ATOM 0 HA SER A 26 0.490 0.768 5.448 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.833 0.781 6.486 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.578 -0.860 7.044 1.00 0.00 H new ATOM 0 HG SER A 26 -1.053 0.715 8.681 1.00 0.00 H new ATOM 420 N GLN A 27 0.647 -2.441 6.071 1.00 0.00 N ATOM 421 CA GLN A 27 1.618 -3.502 6.472 1.00 0.00 C ATOM 422 C GLN A 27 2.728 -3.626 5.425 1.00 0.00 C ATOM 423 O GLN A 27 3.882 -3.821 5.750 1.00 0.00 O ATOM 424 CB GLN A 27 0.795 -4.790 6.536 1.00 0.00 C ATOM 425 CG GLN A 27 1.681 -5.940 7.020 1.00 0.00 C ATOM 426 CD GLN A 27 1.246 -7.240 6.342 1.00 0.00 C ATOM 427 OE1 GLN A 27 0.705 -7.221 5.254 1.00 0.00 O ATOM 428 NE2 GLN A 27 1.462 -8.379 6.942 1.00 0.00 N ATOM 0 H GLN A 27 -0.267 -2.781 5.772 1.00 0.00 H new ATOM 0 HA GLN A 27 2.102 -3.280 7.423 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.051 -4.660 7.211 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.386 -5.022 5.553 1.00 0.00 H new ATOM 0 HG2 GLN A 27 2.726 -5.730 6.790 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.606 -6.040 8.103 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.916 -8.396 7.855 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.177 -9.252 6.498 1.00 0.00 H new ATOM 437 N ARG A 28 2.385 -3.514 4.169 1.00 0.00 N ATOM 438 CA ARG A 28 3.420 -3.625 3.098 1.00 0.00 C ATOM 439 C ARG A 28 4.335 -2.398 3.120 1.00 0.00 C ATOM 440 O ARG A 28 5.535 -2.506 2.960 1.00 0.00 O ATOM 441 CB ARG A 28 2.632 -3.684 1.789 1.00 0.00 C ATOM 442 CG ARG A 28 3.554 -4.148 0.659 1.00 0.00 C ATOM 443 CD ARG A 28 3.691 -5.672 0.704 1.00 0.00 C ATOM 444 NE ARG A 28 4.507 -6.018 -0.493 1.00 0.00 N ATOM 445 CZ ARG A 28 4.430 -7.215 -1.009 1.00 0.00 C ATOM 446 NH1 ARG A 28 4.880 -8.242 -0.342 1.00 0.00 N ATOM 447 NH2 ARG A 28 3.906 -7.382 -2.191 1.00 0.00 N ATOM 0 H ARG A 28 1.434 -3.351 3.838 1.00 0.00 H new ATOM 0 HA ARG A 28 4.058 -4.499 3.228 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.790 -4.368 1.890 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.219 -2.702 1.556 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.151 -3.837 -0.305 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.534 -3.681 0.760 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.179 -5.998 1.623 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.716 -6.158 0.671 1.00 0.00 H new ATOM 0 HE ARG A 28 5.125 -5.321 -0.909 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.292 -8.110 0.582 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.820 -9.177 -0.744 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.556 -6.578 -2.712 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.846 -8.317 -2.595 1.00 0.00 H new ATOM 461 N LYS A 29 3.777 -1.234 3.316 1.00 0.00 N ATOM 462 CA LYS A 29 4.616 0.002 3.347 1.00 0.00 C ATOM 463 C LYS A 29 5.623 -0.071 4.497 1.00 0.00 C ATOM 464 O LYS A 29 6.769 0.310 4.357 1.00 0.00 O ATOM 465 CB LYS A 29 3.630 1.149 3.571 1.00 0.00 C ATOM 466 CG LYS A 29 4.242 2.456 3.062 1.00 0.00 C ATOM 467 CD LYS A 29 3.341 3.629 3.449 1.00 0.00 C ATOM 468 CE LYS A 29 3.598 4.013 4.908 1.00 0.00 C ATOM 469 NZ LYS A 29 2.253 4.330 5.465 1.00 0.00 N ATOM 0 H LYS A 29 2.778 -1.084 3.456 1.00 0.00 H new ATOM 0 HA LYS A 29 5.190 0.133 2.429 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.695 0.946 3.049 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.391 1.236 4.631 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.237 2.593 3.486 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.360 2.417 1.979 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.536 4.481 2.798 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.294 3.357 3.313 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.069 3.196 5.454 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.267 4.871 4.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.347 4.603 6.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.832 5.116 4.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.640 3.493 5.391 1.00 0.00 H new ATOM 483 N ALA A 30 5.205 -0.560 5.635 1.00 0.00 N ATOM 484 CA ALA A 30 6.139 -0.658 6.795 1.00 0.00 C ATOM 485 C ALA A 30 7.185 -1.746 6.542 1.00 0.00 C ATOM 486 O ALA A 30 8.371 -1.522 6.679 1.00 0.00 O ATOM 487 CB ALA A 30 5.255 -1.031 7.987 1.00 0.00 C ATOM 0 H ALA A 30 4.258 -0.895 5.811 1.00 0.00 H new ATOM 0 HA ALA A 30 6.682 0.271 6.966 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.870 -1.122 8.882 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.504 -0.256 8.140 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.759 -1.981 7.789 1.00 0.00 H new ATOM 493 N ARG A 31 6.754 -2.923 6.173 1.00 0.00 N ATOM 494 CA ARG A 31 7.723 -4.026 5.911 1.00 0.00 C ATOM 495 C ARG A 31 8.603 -3.682 4.707 1.00 0.00 C ATOM 496 O ARG A 31 9.778 -3.995 4.675 1.00 0.00 O ATOM 497 CB ARG A 31 6.860 -5.254 5.611 1.00 0.00 C ATOM 498 CG ARG A 31 6.768 -6.133 6.860 1.00 0.00 C ATOM 499 CD ARG A 31 8.007 -7.028 6.948 1.00 0.00 C ATOM 500 NE ARG A 31 7.545 -8.371 6.499 1.00 0.00 N ATOM 501 CZ ARG A 31 7.925 -8.840 5.342 1.00 0.00 C ATOM 502 NH1 ARG A 31 9.162 -8.692 4.952 1.00 0.00 N ATOM 503 NH2 ARG A 31 7.068 -9.456 4.574 1.00 0.00 N ATOM 0 H ARG A 31 5.773 -3.168 6.042 1.00 0.00 H new ATOM 0 HA ARG A 31 8.391 -4.196 6.755 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.863 -4.943 5.298 1.00 0.00 H new ATOM 0 HB3 ARG A 31 7.291 -5.821 4.786 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.693 -5.510 7.751 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.867 -6.745 6.821 1.00 0.00 H new ATOM 0 HD2 ARG A 31 8.810 -6.654 6.313 1.00 0.00 H new ATOM 0 HD3 ARG A 31 8.396 -7.064 7.965 1.00 0.00 H new ATOM 0 HE ARG A 31 6.931 -8.925 7.096 1.00 0.00 H new ATOM 0 HH11 ARG A 31 9.832 -8.210 5.552 1.00 0.00 H new ATOM 0 HH12 ARG A 31 9.459 -9.059 4.048 1.00 0.00 H new ATOM 0 HH21 ARG A 31 6.101 -9.571 4.878 1.00 0.00 H new ATOM 0 HH22 ARG A 31 7.365 -9.823 3.670 1.00 0.00 H new ATOM 517 N SER A 32 8.044 -3.039 3.717 1.00 0.00 N ATOM 518 CA SER A 32 8.848 -2.673 2.514 1.00 0.00 C ATOM 519 C SER A 32 9.902 -1.625 2.882 1.00 0.00 C ATOM 520 O SER A 32 10.989 -1.606 2.337 1.00 0.00 O ATOM 521 CB SER A 32 7.841 -2.093 1.522 1.00 0.00 C ATOM 522 OG SER A 32 8.503 -1.797 0.299 1.00 0.00 O ATOM 0 H SER A 32 7.066 -2.751 3.689 1.00 0.00 H new ATOM 0 HA SER A 32 9.380 -3.529 2.099 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.033 -2.804 1.349 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.388 -1.190 1.932 1.00 0.00 H new ATOM 0 HG SER A 32 7.859 -1.426 -0.340 1.00 0.00 H new ATOM 528 N ARG A 33 9.589 -0.755 3.805 1.00 0.00 N ATOM 529 CA ARG A 33 10.572 0.291 4.212 1.00 0.00 C ATOM 530 C ARG A 33 11.733 -0.346 4.982 1.00 0.00 C ATOM 531 O ARG A 33 12.873 0.049 4.842 1.00 0.00 O ATOM 532 CB ARG A 33 9.790 1.247 5.115 1.00 0.00 C ATOM 533 CG ARG A 33 10.679 2.432 5.495 1.00 0.00 C ATOM 534 CD ARG A 33 9.806 3.664 5.747 1.00 0.00 C ATOM 535 NE ARG A 33 10.660 4.824 5.365 1.00 0.00 N ATOM 536 CZ ARG A 33 11.304 5.491 6.282 1.00 0.00 C ATOM 537 NH1 ARG A 33 10.676 5.910 7.346 1.00 0.00 N ATOM 538 NH2 ARG A 33 12.577 5.740 6.137 1.00 0.00 N ATOM 0 H ARG A 33 8.695 -0.723 4.295 1.00 0.00 H new ATOM 0 HA ARG A 33 11.003 0.806 3.354 1.00 0.00 H new ATOM 0 HB2 ARG A 33 8.896 1.600 4.601 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.457 0.726 6.013 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.258 2.195 6.387 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.393 2.636 4.697 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.895 3.631 5.150 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.501 3.725 6.792 1.00 0.00 H new ATOM 0 HE ARG A 33 10.741 5.096 4.385 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.681 5.716 7.461 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.180 6.432 8.063 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.069 5.413 5.306 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.080 6.262 6.855 1.00 0.00 H new ATOM 552 N GLN A 34 11.447 -1.330 5.793 1.00 0.00 N ATOM 553 CA GLN A 34 12.533 -1.995 6.572 1.00 0.00 C ATOM 554 C GLN A 34 13.471 -2.752 5.627 1.00 0.00 C ATOM 555 O GLN A 34 14.679 -2.662 5.733 1.00 0.00 O ATOM 556 CB GLN A 34 11.813 -2.968 7.507 1.00 0.00 C ATOM 557 CG GLN A 34 10.961 -2.182 8.506 1.00 0.00 C ATOM 558 CD GLN A 34 11.754 -1.965 9.796 1.00 0.00 C ATOM 559 OE1 GLN A 34 11.506 -2.616 10.791 1.00 0.00 O ATOM 560 NE2 GLN A 34 12.703 -1.070 9.820 1.00 0.00 N ATOM 0 H GLN A 34 10.510 -1.702 5.950 1.00 0.00 H new ATOM 0 HA GLN A 34 13.144 -1.280 7.123 1.00 0.00 H new ATOM 0 HB2 GLN A 34 11.183 -3.645 6.930 1.00 0.00 H new ATOM 0 HB3 GLN A 34 12.539 -3.583 8.038 1.00 0.00 H new ATOM 0 HG2 GLN A 34 10.673 -1.222 8.078 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.040 -2.724 8.720 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.910 -0.524 8.984 1.00 0.00 H new ATOM 0 HE22 GLN A 34 13.238 -0.916 10.675 1.00 0.00 H new ATOM 569 N ALA A 35 12.923 -3.496 4.703 1.00 0.00 N ATOM 570 CA ALA A 35 13.783 -4.258 3.749 1.00 0.00 C ATOM 571 C ALA A 35 14.591 -3.290 2.882 1.00 0.00 C ATOM 572 O ALA A 35 15.794 -3.415 2.753 1.00 0.00 O ATOM 573 CB ALA A 35 12.807 -5.062 2.889 1.00 0.00 C ATOM 0 H ALA A 35 11.918 -3.609 4.567 1.00 0.00 H new ATOM 0 HA ALA A 35 14.499 -4.902 4.260 1.00 0.00 H new ATOM 0 HB1 ALA A 35 13.364 -5.651 2.160 1.00 0.00 H new ATOM 0 HB2 ALA A 35 12.225 -5.729 3.526 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.135 -4.380 2.367 1.00 0.00 H new ATOM 579 N ARG A 36 13.940 -2.326 2.287 1.00 0.00 N ATOM 580 CA ARG A 36 14.671 -1.347 1.428 1.00 0.00 C ATOM 581 C ARG A 36 15.703 -0.584 2.261 1.00 0.00 C ATOM 582 O ARG A 36 16.841 -0.424 1.864 1.00 0.00 O ATOM 583 CB ARG A 36 13.594 -0.397 0.901 1.00 0.00 C ATOM 584 CG ARG A 36 12.881 -1.044 -0.288 1.00 0.00 C ATOM 585 CD ARG A 36 12.091 0.021 -1.051 1.00 0.00 C ATOM 586 NE ARG A 36 12.255 -0.335 -2.487 1.00 0.00 N ATOM 587 CZ ARG A 36 13.023 0.389 -3.256 1.00 0.00 C ATOM 588 NH1 ARG A 36 14.320 0.325 -3.130 1.00 0.00 N ATOM 589 NH2 ARG A 36 12.492 1.179 -4.149 1.00 0.00 N ATOM 0 H ARG A 36 12.934 -2.174 2.358 1.00 0.00 H new ATOM 0 HA ARG A 36 15.214 -1.833 0.617 1.00 0.00 H new ATOM 0 HB2 ARG A 36 12.876 -0.170 1.690 1.00 0.00 H new ATOM 0 HB3 ARG A 36 14.044 0.548 0.598 1.00 0.00 H new ATOM 0 HG2 ARG A 36 13.608 -1.516 -0.949 1.00 0.00 H new ATOM 0 HG3 ARG A 36 12.210 -1.830 0.060 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.040 0.017 -0.761 1.00 0.00 H new ATOM 0 HD3 ARG A 36 12.475 1.020 -0.845 1.00 0.00 H new ATOM 0 HE ARG A 36 11.767 -1.145 -2.870 1.00 0.00 H new ATOM 0 HH11 ARG A 36 14.735 -0.291 -2.431 1.00 0.00 H new ATOM 0 HH12 ARG A 36 14.919 0.891 -3.731 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.478 1.231 -4.246 1.00 0.00 H new ATOM 0 HH22 ARG A 36 13.091 1.745 -4.750 1.00 0.00 H new ATOM 603 N GLN A 37 15.315 -0.115 3.419 1.00 0.00 N ATOM 604 CA GLN A 37 16.276 0.635 4.282 1.00 0.00 C ATOM 605 C GLN A 37 17.478 -0.250 4.619 1.00 0.00 C ATOM 606 O GLN A 37 18.602 0.210 4.683 1.00 0.00 O ATOM 607 CB GLN A 37 15.490 0.980 5.548 1.00 0.00 C ATOM 608 CG GLN A 37 16.371 1.803 6.489 1.00 0.00 C ATOM 609 CD GLN A 37 15.496 2.749 7.312 1.00 0.00 C ATOM 610 OE1 GLN A 37 14.410 2.389 7.722 1.00 0.00 O ATOM 611 NE2 GLN A 37 15.926 3.953 7.576 1.00 0.00 N ATOM 0 H GLN A 37 14.376 -0.219 3.804 1.00 0.00 H new ATOM 0 HA GLN A 37 16.664 1.528 3.791 1.00 0.00 H new ATOM 0 HB2 GLN A 37 14.592 1.542 5.289 1.00 0.00 H new ATOM 0 HB3 GLN A 37 15.163 0.067 6.045 1.00 0.00 H new ATOM 0 HG2 GLN A 37 16.932 1.142 7.150 1.00 0.00 H new ATOM 0 HG3 GLN A 37 17.101 2.373 5.915 1.00 0.00 H new ATOM 0 HE21 GLN A 37 16.837 4.256 7.232 1.00 0.00 H new ATOM 0 HE22 GLN A 37 15.351 4.591 8.126 1.00 0.00 H new ATOM 620 N SER A 38 17.250 -1.520 4.830 1.00 0.00 N ATOM 621 CA SER A 38 18.379 -2.439 5.158 1.00 0.00 C ATOM 622 C SER A 38 19.375 -2.474 3.995 1.00 0.00 C ATOM 623 O SER A 38 20.574 -2.455 4.192 1.00 0.00 O ATOM 624 CB SER A 38 17.733 -3.811 5.355 1.00 0.00 C ATOM 625 OG SER A 38 16.862 -3.763 6.476 1.00 0.00 O ATOM 0 H SER A 38 16.331 -1.960 4.789 1.00 0.00 H new ATOM 0 HA SER A 38 18.930 -2.122 6.044 1.00 0.00 H new ATOM 0 HB2 SER A 38 17.178 -4.096 4.461 1.00 0.00 H new ATOM 0 HB3 SER A 38 18.501 -4.569 5.509 1.00 0.00 H new ATOM 0 HG SER A 38 16.118 -3.154 6.286 1.00 0.00 H new ATOM 631 N ARG A 39 18.884 -2.517 2.784 1.00 0.00 N ATOM 632 CA ARG A 39 19.798 -2.546 1.605 1.00 0.00 C ATOM 633 C ARG A 39 20.688 -1.300 1.607 1.00 0.00 C ATOM 634 O ARG A 39 21.891 -1.383 1.453 1.00 0.00 O ATOM 635 CB ARG A 39 18.877 -2.543 0.384 1.00 0.00 C ATOM 636 CG ARG A 39 18.293 -3.942 0.179 1.00 0.00 C ATOM 637 CD ARG A 39 19.124 -4.696 -0.861 1.00 0.00 C ATOM 638 NE ARG A 39 18.879 -6.138 -0.576 1.00 0.00 N ATOM 639 CZ ARG A 39 19.868 -6.988 -0.618 1.00 0.00 C ATOM 640 NH1 ARG A 39 20.322 -7.407 -1.767 1.00 0.00 N ATOM 641 NH2 ARG A 39 20.404 -7.419 0.491 1.00 0.00 N ATOM 0 H ARG A 39 17.889 -2.533 2.561 1.00 0.00 H new ATOM 0 HA ARG A 39 20.457 -3.414 1.612 1.00 0.00 H new ATOM 0 HB2 ARG A 39 18.074 -1.819 0.523 1.00 0.00 H new ATOM 0 HB3 ARG A 39 19.432 -2.236 -0.502 1.00 0.00 H new ATOM 0 HG2 ARG A 39 18.290 -4.488 1.122 1.00 0.00 H new ATOM 0 HG3 ARG A 39 17.257 -3.870 -0.151 1.00 0.00 H new ATOM 0 HD2 ARG A 39 18.818 -4.436 -1.875 1.00 0.00 H new ATOM 0 HD3 ARG A 39 20.182 -4.450 -0.774 1.00 0.00 H new ATOM 0 HE ARG A 39 17.938 -6.460 -0.348 1.00 0.00 H new ATOM 0 HH11 ARG A 39 19.904 -7.070 -2.634 1.00 0.00 H new ATOM 0 HH12 ARG A 39 21.095 -8.071 -1.798 1.00 0.00 H new ATOM 0 HH21 ARG A 39 20.050 -7.091 1.390 1.00 0.00 H new ATOM 0 HH22 ARG A 39 21.177 -8.084 0.459 1.00 0.00 H new ATOM 655 N ARG A 40 20.102 -0.146 1.786 1.00 0.00 N ATOM 656 CA ARG A 40 20.910 1.109 1.806 1.00 0.00 C ATOM 657 C ARG A 40 21.716 1.190 3.104 1.00 0.00 C ATOM 658 O ARG A 40 22.788 1.761 3.147 1.00 0.00 O ATOM 659 CB ARG A 40 19.887 2.243 1.734 1.00 0.00 C ATOM 660 CG ARG A 40 19.528 2.517 0.271 1.00 0.00 C ATOM 661 CD ARG A 40 18.043 2.874 0.165 1.00 0.00 C ATOM 662 NE ARG A 40 17.538 2.078 -0.988 1.00 0.00 N ATOM 663 CZ ARG A 40 17.773 2.477 -2.209 1.00 0.00 C ATOM 664 NH1 ARG A 40 17.392 3.664 -2.593 1.00 0.00 N ATOM 665 NH2 ARG A 40 18.388 1.687 -3.046 1.00 0.00 N ATOM 0 H ARG A 40 19.099 -0.018 1.919 1.00 0.00 H new ATOM 0 HA ARG A 40 21.624 1.157 0.984 1.00 0.00 H new ATOM 0 HB2 ARG A 40 18.992 1.975 2.295 1.00 0.00 H new ATOM 0 HB3 ARG A 40 20.294 3.143 2.194 1.00 0.00 H new ATOM 0 HG2 ARG A 40 20.137 3.333 -0.117 1.00 0.00 H new ATOM 0 HG3 ARG A 40 19.746 1.640 -0.338 1.00 0.00 H new ATOM 0 HD2 ARG A 40 17.510 2.623 1.082 1.00 0.00 H new ATOM 0 HD3 ARG A 40 17.905 3.942 -0.002 1.00 0.00 H new ATOM 0 HE ARG A 40 17.009 1.222 -0.824 1.00 0.00 H new ATOM 0 HH11 ARG A 40 16.910 4.281 -1.939 1.00 0.00 H new ATOM 0 HH12 ARG A 40 17.576 3.975 -3.547 1.00 0.00 H new ATOM 0 HH21 ARG A 40 18.685 0.758 -2.746 1.00 0.00 H new ATOM 0 HH22 ARG A 40 18.572 1.998 -4.000 1.00 0.00 H new ATOM 679 N SER A 41 21.207 0.618 4.165 1.00 0.00 N ATOM 680 CA SER A 41 21.941 0.656 5.467 1.00 0.00 C ATOM 681 C SER A 41 23.362 0.117 5.286 1.00 0.00 C ATOM 682 O SER A 41 24.332 0.798 5.555 1.00 0.00 O ATOM 683 CB SER A 41 21.142 -0.254 6.396 1.00 0.00 C ATOM 684 OG SER A 41 20.373 0.542 7.288 1.00 0.00 O ATOM 0 H SER A 41 20.314 0.126 4.187 1.00 0.00 H new ATOM 0 HA SER A 41 22.030 1.668 5.862 1.00 0.00 H new ATOM 0 HB2 SER A 41 20.488 -0.903 5.814 1.00 0.00 H new ATOM 0 HB3 SER A 41 21.816 -0.901 6.957 1.00 0.00 H new ATOM 0 HG SER A 41 19.858 -0.040 7.885 1.00 0.00 H new ATOM 690 N THR A 42 23.491 -1.099 4.822 1.00 0.00 N ATOM 691 CA THR A 42 24.851 -1.680 4.613 1.00 0.00 C ATOM 692 C THR A 42 25.677 -0.748 3.724 1.00 0.00 C ATOM 693 O THR A 42 26.889 -0.707 3.802 1.00 0.00 O ATOM 694 CB THR A 42 24.611 -3.021 3.914 1.00 0.00 C ATOM 695 OG1 THR A 42 23.684 -3.787 4.670 1.00 0.00 O ATOM 696 CG2 THR A 42 25.933 -3.782 3.801 1.00 0.00 C ATOM 0 H THR A 42 22.715 -1.714 4.579 1.00 0.00 H new ATOM 0 HA THR A 42 25.399 -1.807 5.546 1.00 0.00 H new ATOM 0 HB THR A 42 24.209 -2.845 2.916 1.00 0.00 H new ATOM 0 HG1 THR A 42 23.528 -4.645 4.223 1.00 0.00 H new ATOM 0 HG21 THR A 42 25.762 -4.737 3.303 1.00 0.00 H new ATOM 0 HG22 THR A 42 26.644 -3.193 3.221 1.00 0.00 H new ATOM 0 HG23 THR A 42 26.337 -3.960 4.798 1.00 0.00 H new ATOM 704 N GLN A 43 25.019 0.004 2.879 1.00 0.00 N ATOM 705 CA GLN A 43 25.743 0.946 1.976 1.00 0.00 C ATOM 706 C GLN A 43 26.685 0.175 1.047 1.00 0.00 C ATOM 707 O GLN A 43 26.502 -1.000 0.798 1.00 0.00 O ATOM 708 CB GLN A 43 26.535 1.874 2.905 1.00 0.00 C ATOM 709 CG GLN A 43 26.243 3.333 2.547 1.00 0.00 C ATOM 710 CD GLN A 43 25.012 3.811 3.318 1.00 0.00 C ATOM 711 OE1 GLN A 43 24.069 4.304 2.733 1.00 0.00 O ATOM 712 NE2 GLN A 43 24.982 3.686 4.616 1.00 0.00 N ATOM 0 H GLN A 43 24.004 0.005 2.776 1.00 0.00 H new ATOM 0 HA GLN A 43 25.060 1.506 1.337 1.00 0.00 H new ATOM 0 HB2 GLN A 43 26.264 1.683 3.943 1.00 0.00 H new ATOM 0 HB3 GLN A 43 27.602 1.673 2.812 1.00 0.00 H new ATOM 0 HG2 GLN A 43 27.103 3.957 2.790 1.00 0.00 H new ATOM 0 HG3 GLN A 43 26.073 3.428 1.475 1.00 0.00 H new ATOM 0 HE21 GLN A 43 25.774 3.272 5.107 1.00 0.00 H new ATOM 0 HE22 GLN A 43 24.166 4.002 5.140 1.00 0.00 H new ATOM 721 N GLY A 44 27.691 0.831 0.532 1.00 0.00 N ATOM 722 CA GLY A 44 28.647 0.142 -0.383 1.00 0.00 C ATOM 723 C GLY A 44 29.579 -0.775 0.419 1.00 0.00 C ATOM 724 O GLY A 44 30.355 -1.517 -0.145 1.00 0.00 O ATOM 0 H GLY A 44 27.892 1.816 0.706 1.00 0.00 H new ATOM 0 HA2 GLY A 44 28.098 -0.442 -1.122 1.00 0.00 H new ATOM 0 HA3 GLY A 44 29.233 0.880 -0.931 1.00 0.00 H new ATOM 728 N VAL A 45 29.510 -0.721 1.732 1.00 0.00 N ATOM 729 CA VAL A 45 30.389 -1.584 2.595 1.00 0.00 C ATOM 730 C VAL A 45 31.850 -1.115 2.549 1.00 0.00 C ATOM 731 O VAL A 45 32.667 -1.542 3.342 1.00 0.00 O ATOM 732 CB VAL A 45 30.273 -3.012 2.044 1.00 0.00 C ATOM 733 CG1 VAL A 45 30.835 -4.000 3.069 1.00 0.00 C ATOM 734 CG2 VAL A 45 28.804 -3.349 1.770 1.00 0.00 C ATOM 0 H VAL A 45 28.876 -0.110 2.248 1.00 0.00 H new ATOM 0 HA VAL A 45 30.073 -1.529 3.637 1.00 0.00 H new ATOM 0 HB VAL A 45 30.838 -3.083 1.114 1.00 0.00 H new ATOM 0 HG11 VAL A 45 30.753 -5.015 2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 45 31.883 -3.768 3.261 1.00 0.00 H new ATOM 0 HG13 VAL A 45 30.270 -3.922 3.998 1.00 0.00 H new ATOM 0 HG21 VAL A 45 28.730 -4.364 1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 45 28.235 -3.275 2.697 1.00 0.00 H new ATOM 0 HG23 VAL A 45 28.400 -2.649 1.039 1.00 0.00 H new ATOM 744 N THR A 46 32.192 -0.242 1.634 1.00 0.00 N ATOM 745 CA THR A 46 33.603 0.247 1.549 1.00 0.00 C ATOM 746 C THR A 46 34.572 -0.933 1.424 1.00 0.00 C ATOM 747 O THR A 46 35.665 -0.909 1.955 1.00 0.00 O ATOM 748 CB THR A 46 33.844 1.006 2.856 1.00 0.00 C ATOM 749 OG1 THR A 46 32.699 1.785 3.167 1.00 0.00 O ATOM 750 CG2 THR A 46 35.059 1.919 2.700 1.00 0.00 C ATOM 0 H THR A 46 31.555 0.153 0.942 1.00 0.00 H new ATOM 0 HA THR A 46 33.764 0.880 0.676 1.00 0.00 H new ATOM 0 HB THR A 46 34.029 0.295 3.661 1.00 0.00 H new ATOM 0 HG1 THR A 46 32.851 2.270 4.005 1.00 0.00 H new ATOM 0 HG21 THR A 46 35.230 2.459 3.631 1.00 0.00 H new ATOM 0 HG22 THR A 46 35.937 1.319 2.462 1.00 0.00 H new ATOM 0 HG23 THR A 46 34.878 2.631 1.895 1.00 0.00 H new ATOM 758 N LEU A 47 34.178 -1.964 0.725 1.00 0.00 N ATOM 759 CA LEU A 47 35.073 -3.146 0.564 1.00 0.00 C ATOM 760 C LEU A 47 34.955 -3.706 -0.856 1.00 0.00 C ATOM 761 O LEU A 47 35.940 -3.893 -1.543 1.00 0.00 O ATOM 762 CB LEU A 47 34.571 -4.166 1.587 1.00 0.00 C ATOM 763 CG LEU A 47 35.266 -3.928 2.930 1.00 0.00 C ATOM 764 CD1 LEU A 47 34.276 -4.174 4.069 1.00 0.00 C ATOM 765 CD2 LEU A 47 36.450 -4.889 3.069 1.00 0.00 C ATOM 0 H LEU A 47 33.274 -2.038 0.258 1.00 0.00 H new ATOM 0 HA LEU A 47 36.122 -2.895 0.721 1.00 0.00 H new ATOM 0 HB2 LEU A 47 33.491 -4.078 1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 47 34.772 -5.178 1.236 1.00 0.00 H new ATOM 0 HG LEU A 47 35.624 -2.899 2.975 1.00 0.00 H new ATOM 0 HD11 LEU A 47 34.772 -4.004 5.025 1.00 0.00 H new ATOM 0 HD12 LEU A 47 33.432 -3.491 3.972 1.00 0.00 H new ATOM 0 HD13 LEU A 47 33.917 -5.202 4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 47 36.945 -4.720 4.025 1.00 0.00 H new ATOM 0 HD22 LEU A 47 36.091 -5.917 3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 47 37.157 -4.715 2.258 1.00 0.00 H new ATOM 777 N THR A 48 33.755 -3.973 -1.300 1.00 0.00 N ATOM 778 CA THR A 48 33.572 -4.518 -2.677 1.00 0.00 C ATOM 779 C THR A 48 33.700 -3.395 -3.710 1.00 0.00 C ATOM 780 O THR A 48 34.439 -3.504 -4.669 1.00 0.00 O ATOM 781 CB THR A 48 32.157 -5.099 -2.689 1.00 0.00 C ATOM 782 OG1 THR A 48 31.229 -4.090 -2.314 1.00 0.00 O ATOM 783 CG2 THR A 48 32.072 -6.264 -1.701 1.00 0.00 C ATOM 0 H THR A 48 32.895 -3.837 -0.769 1.00 0.00 H new ATOM 0 HA THR A 48 34.322 -5.268 -2.928 1.00 0.00 H new ATOM 0 HB THR A 48 31.921 -5.457 -3.691 1.00 0.00 H new ATOM 0 HG1 THR A 48 30.322 -4.460 -2.323 1.00 0.00 H new ATOM 0 HG21 THR A 48 31.063 -6.677 -1.711 1.00 0.00 H new ATOM 0 HG22 THR A 48 32.783 -7.038 -1.989 1.00 0.00 H new ATOM 0 HG23 THR A 48 32.309 -5.909 -0.698 1.00 0.00 H new ATOM 791 N ASP A 49 32.988 -2.317 -3.519 1.00 0.00 N ATOM 792 CA ASP A 49 33.068 -1.184 -4.488 1.00 0.00 C ATOM 793 C ASP A 49 34.486 -0.607 -4.508 1.00 0.00 C ATOM 794 O ASP A 49 34.948 -0.105 -5.515 1.00 0.00 O ATOM 795 CB ASP A 49 32.074 -0.144 -3.969 1.00 0.00 C ATOM 796 CG ASP A 49 30.750 -0.280 -4.723 1.00 0.00 C ATOM 797 OD1 ASP A 49 30.778 -0.230 -5.943 1.00 0.00 O ATOM 798 OD2 ASP A 49 29.731 -0.430 -4.072 1.00 0.00 O ATOM 0 H ASP A 49 32.354 -2.171 -2.734 1.00 0.00 H new ATOM 0 HA ASP A 49 32.836 -1.495 -5.506 1.00 0.00 H new ATOM 0 HB2 ASP A 49 31.912 -0.283 -2.900 1.00 0.00 H new ATOM 0 HB3 ASP A 49 32.479 0.859 -4.102 1.00 0.00 H new ATOM 803 N LEU A 50 35.180 -0.674 -3.402 1.00 0.00 N ATOM 804 CA LEU A 50 36.571 -0.130 -3.353 1.00 0.00 C ATOM 805 C LEU A 50 37.447 -0.812 -4.408 1.00 0.00 C ATOM 806 O LEU A 50 38.346 -0.211 -4.964 1.00 0.00 O ATOM 807 CB LEU A 50 37.077 -0.452 -1.947 1.00 0.00 C ATOM 808 CG LEU A 50 37.921 0.712 -1.428 1.00 0.00 C ATOM 809 CD1 LEU A 50 37.031 1.683 -0.650 1.00 0.00 C ATOM 810 CD2 LEU A 50 39.017 0.174 -0.505 1.00 0.00 C ATOM 0 H LEU A 50 34.844 -1.082 -2.530 1.00 0.00 H new ATOM 0 HA LEU A 50 36.600 0.940 -3.561 1.00 0.00 H new ATOM 0 HB2 LEU A 50 36.235 -0.631 -1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 50 37.670 -1.366 -1.963 1.00 0.00 H new ATOM 0 HG LEU A 50 38.377 1.233 -2.270 1.00 0.00 H new ATOM 0 HD11 LEU A 50 37.634 2.513 -0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 50 36.250 2.066 -1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 50 36.574 1.163 0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 50 39.620 1.003 -0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 50 38.561 -0.348 0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 50 39.652 -0.517 -1.059 1.00 0.00 H new ATOM 822 N GLN A 51 37.191 -2.062 -4.686 1.00 0.00 N ATOM 823 CA GLN A 51 38.009 -2.784 -5.706 1.00 0.00 C ATOM 824 C GLN A 51 37.808 -2.151 -7.086 1.00 0.00 C ATOM 825 O GLN A 51 38.754 -1.910 -7.811 1.00 0.00 O ATOM 826 CB GLN A 51 37.484 -4.221 -5.695 1.00 0.00 C ATOM 827 CG GLN A 51 38.654 -5.194 -5.851 1.00 0.00 C ATOM 828 CD GLN A 51 39.303 -5.000 -7.223 1.00 0.00 C ATOM 829 OE1 GLN A 51 38.741 -5.377 -8.232 1.00 0.00 O ATOM 830 NE2 GLN A 51 40.471 -4.423 -7.303 1.00 0.00 N ATOM 0 H GLN A 51 36.452 -2.615 -4.252 1.00 0.00 H new ATOM 0 HA GLN A 51 39.076 -2.740 -5.486 1.00 0.00 H new ATOM 0 HB2 GLN A 51 36.955 -4.419 -4.763 1.00 0.00 H new ATOM 0 HB3 GLN A 51 36.768 -4.364 -6.504 1.00 0.00 H new ATOM 0 HG2 GLN A 51 39.388 -5.025 -5.063 1.00 0.00 H new ATOM 0 HG3 GLN A 51 38.303 -6.221 -5.745 1.00 0.00 H new ATOM 0 HE21 GLN A 51 40.943 -4.107 -6.456 1.00 0.00 H new ATOM 0 HE22 GLN A 51 40.912 -4.288 -8.213 1.00 0.00 H new ATOM 839 N GLU A 52 36.584 -1.878 -7.451 1.00 0.00 N ATOM 840 CA GLU A 52 36.321 -1.259 -8.784 1.00 0.00 C ATOM 841 C GLU A 52 36.801 0.195 -8.793 1.00 0.00 C ATOM 842 O GLU A 52 37.381 0.661 -9.755 1.00 0.00 O ATOM 843 CB GLU A 52 34.803 -1.324 -8.958 1.00 0.00 C ATOM 844 CG GLU A 52 34.421 -0.774 -10.334 1.00 0.00 C ATOM 845 CD GLU A 52 34.476 -1.901 -11.368 1.00 0.00 C ATOM 846 OE1 GLU A 52 33.622 -2.770 -11.315 1.00 0.00 O ATOM 847 OE2 GLU A 52 35.373 -1.875 -12.195 1.00 0.00 O ATOM 0 H GLU A 52 35.755 -2.056 -6.885 1.00 0.00 H new ATOM 0 HA GLU A 52 36.845 -1.772 -9.590 1.00 0.00 H new ATOM 0 HB2 GLU A 52 34.459 -2.353 -8.858 1.00 0.00 H new ATOM 0 HB3 GLU A 52 34.312 -0.746 -8.175 1.00 0.00 H new ATOM 0 HG2 GLU A 52 33.419 -0.345 -10.301 1.00 0.00 H new ATOM 0 HG3 GLU A 52 35.102 0.028 -10.618 1.00 0.00 H new ATOM 854 N ALA A 53 36.562 0.915 -7.730 1.00 0.00 N ATOM 855 CA ALA A 53 37.003 2.340 -7.676 1.00 0.00 C ATOM 856 C ALA A 53 38.530 2.425 -7.733 1.00 0.00 C ATOM 857 O ALA A 53 39.089 3.364 -8.266 1.00 0.00 O ATOM 858 CB ALA A 53 36.486 2.867 -6.336 1.00 0.00 C ATOM 0 H ALA A 53 36.080 0.578 -6.896 1.00 0.00 H new ATOM 0 HA ALA A 53 36.622 2.921 -8.516 1.00 0.00 H new ATOM 0 HB1 ALA A 53 36.771 3.913 -6.222 1.00 0.00 H new ATOM 0 HB2 ALA A 53 35.400 2.782 -6.306 1.00 0.00 H new ATOM 0 HB3 ALA A 53 36.918 2.282 -5.524 1.00 0.00 H new ATOM 864 N GLU A 54 39.209 1.450 -7.188 1.00 0.00 N ATOM 865 CA GLU A 54 40.702 1.475 -7.210 1.00 0.00 C ATOM 866 C GLU A 54 41.216 1.202 -8.626 1.00 0.00 C ATOM 867 O GLU A 54 42.146 1.833 -9.090 1.00 0.00 O ATOM 868 CB GLU A 54 41.132 0.358 -6.258 1.00 0.00 C ATOM 869 CG GLU A 54 41.402 0.944 -4.870 1.00 0.00 C ATOM 870 CD GLU A 54 42.502 0.137 -4.178 1.00 0.00 C ATOM 871 OE1 GLU A 54 42.467 -1.078 -4.274 1.00 0.00 O ATOM 872 OE2 GLU A 54 43.362 0.749 -3.566 1.00 0.00 O ATOM 0 H GLU A 54 38.795 0.638 -6.729 1.00 0.00 H new ATOM 0 HA GLU A 54 41.102 2.443 -6.909 1.00 0.00 H new ATOM 0 HB2 GLU A 54 40.353 -0.403 -6.198 1.00 0.00 H new ATOM 0 HB3 GLU A 54 42.028 -0.133 -6.638 1.00 0.00 H new ATOM 0 HG2 GLU A 54 41.703 1.988 -4.957 1.00 0.00 H new ATOM 0 HG3 GLU A 54 40.491 0.924 -4.272 1.00 0.00 H new ATOM 879 N LYS A 55 40.620 0.264 -9.314 1.00 0.00 N ATOM 880 CA LYS A 55 41.075 -0.052 -10.700 1.00 0.00 C ATOM 881 C LYS A 55 40.654 1.061 -11.665 1.00 0.00 C ATOM 882 O LYS A 55 41.386 1.422 -12.566 1.00 0.00 O ATOM 883 CB LYS A 55 40.380 -1.366 -11.059 1.00 0.00 C ATOM 884 CG LYS A 55 41.318 -2.539 -10.762 1.00 0.00 C ATOM 885 CD LYS A 55 40.656 -3.846 -11.201 1.00 0.00 C ATOM 886 CE LYS A 55 41.667 -4.991 -11.097 1.00 0.00 C ATOM 887 NZ LYS A 55 41.339 -5.897 -12.234 1.00 0.00 N ATOM 0 H LYS A 55 39.838 -0.297 -8.976 1.00 0.00 H new ATOM 0 HA LYS A 55 42.160 -0.135 -10.767 1.00 0.00 H new ATOM 0 HB2 LYS A 55 39.458 -1.470 -10.487 1.00 0.00 H new ATOM 0 HB3 LYS A 55 40.103 -1.367 -12.113 1.00 0.00 H new ATOM 0 HG2 LYS A 55 42.264 -2.404 -11.287 1.00 0.00 H new ATOM 0 HG3 LYS A 55 41.547 -2.575 -9.697 1.00 0.00 H new ATOM 0 HD2 LYS A 55 39.789 -4.055 -10.575 1.00 0.00 H new ATOM 0 HD3 LYS A 55 40.295 -3.757 -12.226 1.00 0.00 H new ATOM 0 HE2 LYS A 55 42.690 -4.622 -11.168 1.00 0.00 H new ATOM 0 HE3 LYS A 55 41.581 -5.509 -10.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 41.990 -6.708 -12.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 40.361 -6.238 -12.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 41.436 -5.379 -13.130 1.00 0.00 H new ATOM 901 N THR A 56 39.481 1.606 -11.482 1.00 0.00 N ATOM 902 CA THR A 56 39.012 2.695 -12.390 1.00 0.00 C ATOM 903 C THR A 56 39.932 3.913 -12.274 1.00 0.00 C ATOM 904 O THR A 56 40.236 4.567 -13.253 1.00 0.00 O ATOM 905 CB THR A 56 37.601 3.040 -11.907 1.00 0.00 C ATOM 906 OG1 THR A 56 37.573 3.035 -10.486 1.00 0.00 O ATOM 907 CG2 THR A 56 36.609 2.007 -12.443 1.00 0.00 C ATOM 0 H THR A 56 38.827 1.345 -10.744 1.00 0.00 H new ATOM 0 HA THR A 56 39.019 2.389 -13.436 1.00 0.00 H new ATOM 0 HB THR A 56 37.324 4.029 -12.272 1.00 0.00 H new ATOM 0 HG1 THR A 56 37.019 2.290 -10.172 1.00 0.00 H new ATOM 0 HG21 THR A 56 35.605 2.254 -12.098 1.00 0.00 H new ATOM 0 HG22 THR A 56 36.630 2.013 -13.533 1.00 0.00 H new ATOM 0 HG23 THR A 56 36.884 1.016 -12.080 1.00 0.00 H new ATOM 915 N ILE A 57 40.376 4.224 -11.084 1.00 0.00 N ATOM 916 CA ILE A 57 41.279 5.402 -10.896 1.00 0.00 C ATOM 917 C ILE A 57 40.656 6.656 -11.522 1.00 0.00 C ATOM 918 O ILE A 57 41.237 7.286 -12.384 1.00 0.00 O ATOM 919 CB ILE A 57 42.579 5.031 -11.613 1.00 0.00 C ATOM 920 CG1 ILE A 57 43.159 3.758 -10.990 1.00 0.00 C ATOM 921 CG2 ILE A 57 43.590 6.171 -11.469 1.00 0.00 C ATOM 922 CD1 ILE A 57 44.371 3.296 -11.801 1.00 0.00 C ATOM 0 H ILE A 57 40.152 3.712 -10.231 1.00 0.00 H new ATOM 0 HA ILE A 57 41.447 5.625 -9.842 1.00 0.00 H new ATOM 0 HB ILE A 57 42.372 4.861 -12.670 1.00 0.00 H new ATOM 0 HG12 ILE A 57 43.451 3.947 -9.957 1.00 0.00 H new ATOM 0 HG13 ILE A 57 42.402 2.974 -10.969 1.00 0.00 H new ATOM 0 HG21 ILE A 57 44.515 5.904 -11.981 1.00 0.00 H new ATOM 0 HG22 ILE A 57 43.180 7.079 -11.911 1.00 0.00 H new ATOM 0 HG23 ILE A 57 43.796 6.343 -10.413 1.00 0.00 H new ATOM 0 HD11 ILE A 57 44.783 2.390 -11.356 1.00 0.00 H new ATOM 0 HD12 ILE A 57 44.065 3.090 -12.827 1.00 0.00 H new ATOM 0 HD13 ILE A 57 45.130 4.078 -11.799 1.00 0.00 H new ATOM 934 N GLY A 58 39.477 7.020 -11.093 1.00 0.00 N ATOM 935 CA GLY A 58 38.815 8.231 -11.658 1.00 0.00 C ATOM 936 C GLY A 58 38.861 9.365 -10.632 1.00 0.00 C ATOM 937 O GLY A 58 39.044 10.516 -10.976 1.00 0.00 O ATOM 0 H GLY A 58 38.943 6.530 -10.375 1.00 0.00 H new ATOM 0 HA2 GLY A 58 39.316 8.537 -12.576 1.00 0.00 H new ATOM 0 HA3 GLY A 58 37.781 8.005 -11.919 1.00 0.00 H new ATOM 941 N ARG A 59 38.697 9.044 -9.374 1.00 0.00 N ATOM 942 CA ARG A 59 38.729 10.094 -8.308 1.00 0.00 C ATOM 943 C ARG A 59 37.718 11.210 -8.616 1.00 0.00 C ATOM 944 O ARG A 59 36.584 11.164 -8.181 1.00 0.00 O ATOM 945 CB ARG A 59 40.163 10.631 -8.311 1.00 0.00 C ATOM 946 CG ARG A 59 41.107 9.569 -7.742 1.00 0.00 C ATOM 947 CD ARG A 59 42.336 10.248 -7.130 1.00 0.00 C ATOM 948 NE ARG A 59 42.361 9.794 -5.711 1.00 0.00 N ATOM 949 CZ ARG A 59 41.596 10.376 -4.828 1.00 0.00 C ATOM 950 NH1 ARG A 59 41.785 11.632 -4.526 1.00 0.00 N ATOM 951 NH2 ARG A 59 40.642 9.702 -4.244 1.00 0.00 N ATOM 0 H ARG A 59 38.541 8.094 -9.036 1.00 0.00 H new ATOM 0 HA ARG A 59 38.454 9.694 -7.332 1.00 0.00 H new ATOM 0 HB2 ARG A 59 40.462 10.893 -9.326 1.00 0.00 H new ATOM 0 HB3 ARG A 59 40.223 11.542 -7.716 1.00 0.00 H new ATOM 0 HG2 ARG A 59 40.591 8.978 -6.985 1.00 0.00 H new ATOM 0 HG3 ARG A 59 41.414 8.881 -8.530 1.00 0.00 H new ATOM 0 HD2 ARG A 59 43.248 9.959 -7.653 1.00 0.00 H new ATOM 0 HD3 ARG A 59 42.261 11.333 -7.196 1.00 0.00 H new ATOM 0 HE ARG A 59 42.975 9.030 -5.430 1.00 0.00 H new ATOM 0 HH11 ARG A 59 42.531 12.159 -4.980 1.00 0.00 H new ATOM 0 HH12 ARG A 59 41.187 12.086 -3.836 1.00 0.00 H new ATOM 0 HH21 ARG A 59 40.494 8.720 -4.478 1.00 0.00 H new ATOM 0 HH22 ARG A 59 40.045 10.157 -3.554 1.00 0.00 H new ATOM 965 N SER A 60 38.116 12.211 -9.360 1.00 0.00 N ATOM 966 CA SER A 60 37.171 13.321 -9.687 1.00 0.00 C ATOM 967 C SER A 60 36.054 12.811 -10.602 1.00 0.00 C ATOM 968 O SER A 60 36.341 12.531 -11.754 1.00 0.00 O ATOM 969 CB SER A 60 38.020 14.366 -10.409 1.00 0.00 C ATOM 970 OG SER A 60 39.260 14.514 -9.731 1.00 0.00 O ATOM 971 OXT SER A 60 34.931 12.713 -10.134 1.00 0.00 O ATOM 0 H SER A 60 39.052 12.307 -9.754 1.00 0.00 H new ATOM 0 HA SER A 60 36.692 13.731 -8.798 1.00 0.00 H new ATOM 0 HB2 SER A 60 38.191 14.062 -11.442 1.00 0.00 H new ATOM 0 HB3 SER A 60 37.494 15.320 -10.441 1.00 0.00 H new ATOM 0 HG SER A 60 39.808 15.183 -10.193 1.00 0.00 H new TER 977 SER A 60