USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 680 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 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 156:sc= 1.36 USER MOD Single : A 20 ASN : amide:sc= -1.36 K(o=-1.4,f=-5.1!) USER MOD Single : A 22 MET CE :methyl -134:sc= -1.74 (180deg=-2.78) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0.275 X(o=0.28,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 176:sc= 0.694 (180deg=0.635) USER MOD Single : A 47 SER OG : rot -59:sc= 1.24 USER MOD Single : A 49 SER OG : rot -32:sc= 0.0953 USER MOD Single : A 51 LYS NZ :NH3+ -149:sc= 0.397 (180deg=-0.414) USER MOD Single : A 54 LYS NZ :NH3+ -155:sc= 1.03 (180deg=0.664) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0585) USER MOD Single : A 73 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0263) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 2 -12.206 4.031 -0.275 1.00 55.30 N ATOM 21 CA ARG A 2 -11.083 3.089 -0.470 1.00 23.00 C ATOM 22 C ARG A 2 -10.366 3.454 -1.781 1.00 33.21 C ATOM 23 O ARG A 2 -11.013 3.591 -2.827 1.00 52.53 O ATOM 24 CB ARG A 2 -11.549 1.598 -0.493 1.00 33.00 C ATOM 25 CG ARG A 2 -12.363 1.132 0.738 1.00 61.34 C ATOM 26 CD ARG A 2 -12.581 -0.397 0.769 1.00 20.22 C ATOM 27 NE ARG A 2 -13.091 -0.933 -0.506 1.00 63.41 N ATOM 28 CZ ARG A 2 -14.327 -1.410 -0.738 1.00 12.32 C ATOM 29 NH1 ARG A 2 -15.261 -1.428 0.214 1.00 51.34 N ATOM 30 NH2 ARG A 2 -14.603 -1.895 -1.939 1.00 62.04 N ATOM 0 HA ARG A 2 -10.402 3.181 0.376 1.00 23.00 H new ATOM 0 HB2 ARG A 2 -12.153 1.439 -1.387 1.00 33.00 H new ATOM 0 HB3 ARG A 2 -10.668 0.962 -0.586 1.00 33.00 H new ATOM 0 HG2 ARG A 2 -11.846 1.439 1.647 1.00 61.34 H new ATOM 0 HG3 ARG A 2 -13.331 1.632 0.738 1.00 61.34 H new ATOM 0 HD2 ARG A 2 -11.639 -0.888 1.012 1.00 20.22 H new ATOM 0 HD3 ARG A 2 -13.283 -0.642 1.566 1.00 20.22 H new ATOM 0 HE ARG A 2 -12.441 -0.943 -1.292 1.00 63.41 H new ATOM 0 HH11 ARG A 2 -15.046 -1.074 1.146 1.00 51.34 H new ATOM 0 HH12 ARG A 2 -16.190 -1.796 0.010 1.00 51.34 H new ATOM 0 HH21 ARG A 2 -13.885 -1.901 -2.664 1.00 62.04 H new ATOM 0 HH22 ARG A 2 -15.533 -2.262 -2.139 1.00 62.04 H new ATOM 44 N ILE A 3 -9.041 3.635 -1.711 1.00 74.44 N ATOM 45 CA ILE A 3 -8.209 4.027 -2.861 1.00 35.40 C ATOM 46 C ILE A 3 -7.568 2.772 -3.478 1.00 43.31 C ATOM 47 O ILE A 3 -7.008 1.947 -2.768 1.00 14.45 O ATOM 48 CB ILE A 3 -7.093 5.040 -2.406 1.00 1.25 C ATOM 49 CG1 ILE A 3 -7.741 6.270 -1.689 1.00 22.24 C ATOM 50 CG2 ILE A 3 -6.203 5.486 -3.598 1.00 2.32 C ATOM 51 CD1 ILE A 3 -6.752 7.254 -1.096 1.00 4.00 C ATOM 0 H ILE A 3 -8.510 3.513 -0.849 1.00 74.44 H new ATOM 0 HA ILE A 3 -8.835 4.516 -3.607 1.00 35.40 H new ATOM 0 HB ILE A 3 -6.441 4.530 -1.697 1.00 1.25 H new ATOM 0 HG12 ILE A 3 -8.373 6.798 -2.403 1.00 22.24 H new ATOM 0 HG13 ILE A 3 -8.393 5.908 -0.894 1.00 22.24 H new ATOM 0 HG21 ILE A 3 -5.445 6.185 -3.244 1.00 2.32 H new ATOM 0 HG22 ILE A 3 -5.717 4.614 -4.036 1.00 2.32 H new ATOM 0 HG23 ILE A 3 -6.822 5.973 -4.352 1.00 2.32 H new ATOM 0 HD11 ILE A 3 -7.293 8.072 -0.621 1.00 4.00 H new ATOM 0 HD12 ILE A 3 -6.135 6.747 -0.354 1.00 4.00 H new ATOM 0 HD13 ILE A 3 -6.115 7.651 -1.887 1.00 4.00 H new ATOM 63 N LYS A 4 -7.641 2.643 -4.797 1.00 52.45 N ATOM 64 CA LYS A 4 -7.120 1.469 -5.514 1.00 4.35 C ATOM 65 C LYS A 4 -5.648 1.712 -5.884 1.00 34.13 C ATOM 66 O LYS A 4 -5.310 2.773 -6.421 1.00 54.42 O ATOM 67 CB LYS A 4 -7.992 1.216 -6.769 1.00 64.53 C ATOM 68 CG LYS A 4 -7.581 -0.001 -7.625 1.00 73.52 C ATOM 69 CD LYS A 4 -8.552 -0.219 -8.810 1.00 13.24 C ATOM 70 CE LYS A 4 -8.156 -1.393 -9.708 1.00 53.51 C ATOM 71 NZ LYS A 4 -9.174 -1.647 -10.762 1.00 1.10 N ATOM 0 H LYS A 4 -8.061 3.345 -5.406 1.00 52.45 H new ATOM 0 HA LYS A 4 -7.165 0.581 -4.883 1.00 4.35 H new ATOM 0 HB2 LYS A 4 -9.026 1.083 -6.451 1.00 64.53 H new ATOM 0 HB3 LYS A 4 -7.963 2.107 -7.396 1.00 64.53 H new ATOM 0 HG2 LYS A 4 -6.570 0.146 -8.005 1.00 73.52 H new ATOM 0 HG3 LYS A 4 -7.561 -0.895 -7.001 1.00 73.52 H new ATOM 0 HD2 LYS A 4 -9.556 -0.390 -8.421 1.00 13.24 H new ATOM 0 HD3 LYS A 4 -8.593 0.690 -9.409 1.00 13.24 H new ATOM 0 HE2 LYS A 4 -7.193 -1.186 -10.175 1.00 53.51 H new ATOM 0 HE3 LYS A 4 -8.030 -2.289 -9.101 1.00 53.51 H new ATOM 0 HZ1 LYS A 4 -8.871 -2.449 -11.351 1.00 1.10 H new ATOM 0 HZ2 LYS A 4 -10.087 -1.869 -10.316 1.00 1.10 H new ATOM 0 HZ3 LYS A 4 -9.276 -0.800 -11.357 1.00 1.10 H new ATOM 85 N GLY A 5 -4.777 0.742 -5.555 1.00 21.50 N ATOM 86 CA GLY A 5 -3.335 0.857 -5.804 1.00 4.11 C ATOM 87 C GLY A 5 -2.729 -0.415 -6.365 1.00 43.33 C ATOM 88 O GLY A 5 -3.354 -1.472 -6.315 1.00 24.23 O ATOM 0 H GLY A 5 -5.052 -0.135 -5.113 1.00 21.50 H new ATOM 0 HA2 GLY A 5 -3.156 1.676 -6.500 1.00 4.11 H new ATOM 0 HA3 GLY A 5 -2.830 1.114 -4.873 1.00 4.11 H new ATOM 92 N VAL A 6 -1.507 -0.306 -6.907 1.00 14.53 N ATOM 93 CA VAL A 6 -0.758 -1.436 -7.484 1.00 5.35 C ATOM 94 C VAL A 6 0.546 -1.630 -6.702 1.00 4.33 C ATOM 95 O VAL A 6 1.367 -0.711 -6.648 1.00 32.34 O ATOM 96 CB VAL A 6 -0.405 -1.178 -9.001 1.00 43.42 C ATOM 97 CG1 VAL A 6 0.432 -2.335 -9.598 1.00 73.21 C ATOM 98 CG2 VAL A 6 -1.681 -0.927 -9.833 1.00 72.13 C ATOM 0 H VAL A 6 -1.004 0.580 -6.958 1.00 14.53 H new ATOM 0 HA VAL A 6 -1.384 -2.326 -7.419 1.00 5.35 H new ATOM 0 HB VAL A 6 0.208 -0.278 -9.045 1.00 43.42 H new ATOM 0 HG11 VAL A 6 0.655 -2.121 -10.643 1.00 73.21 H new ATOM 0 HG12 VAL A 6 1.364 -2.435 -9.041 1.00 73.21 H new ATOM 0 HG13 VAL A 6 -0.133 -3.265 -9.531 1.00 73.21 H new ATOM 0 HG21 VAL A 6 -1.408 -0.752 -10.874 1.00 72.13 H new ATOM 0 HG22 VAL A 6 -2.333 -1.798 -9.770 1.00 72.13 H new ATOM 0 HG23 VAL A 6 -2.203 -0.053 -9.443 1.00 72.13 H new ATOM 108 N VAL A 7 0.742 -2.816 -6.108 1.00 22.15 N ATOM 109 CA VAL A 7 2.009 -3.162 -5.457 1.00 54.11 C ATOM 110 C VAL A 7 3.114 -3.325 -6.523 1.00 53.33 C ATOM 111 O VAL A 7 3.158 -4.334 -7.239 1.00 72.02 O ATOM 112 CB VAL A 7 1.915 -4.474 -4.602 1.00 32.53 C ATOM 113 CG1 VAL A 7 3.215 -4.692 -3.803 1.00 63.11 C ATOM 114 CG2 VAL A 7 0.687 -4.464 -3.674 1.00 43.23 C ATOM 0 H VAL A 7 0.036 -3.551 -6.066 1.00 22.15 H new ATOM 0 HA VAL A 7 2.250 -2.346 -4.776 1.00 54.11 H new ATOM 0 HB VAL A 7 1.789 -5.311 -5.289 1.00 32.53 H new ATOM 0 HG11 VAL A 7 3.132 -5.606 -3.216 1.00 63.11 H new ATOM 0 HG12 VAL A 7 4.055 -4.778 -4.492 1.00 63.11 H new ATOM 0 HG13 VAL A 7 3.378 -3.846 -3.136 1.00 63.11 H new ATOM 0 HG21 VAL A 7 0.658 -5.390 -3.099 1.00 43.23 H new ATOM 0 HG22 VAL A 7 0.753 -3.616 -2.993 1.00 43.23 H new ATOM 0 HG23 VAL A 7 -0.220 -4.380 -4.272 1.00 43.23 H new ATOM 124 N LEU A 8 3.968 -2.301 -6.631 1.00 21.22 N ATOM 125 CA LEU A 8 5.123 -2.292 -7.543 1.00 44.55 C ATOM 126 C LEU A 8 6.200 -3.281 -7.053 1.00 42.51 C ATOM 127 O LEU A 8 6.857 -3.951 -7.861 1.00 72.14 O ATOM 128 CB LEU A 8 5.733 -0.865 -7.622 1.00 32.41 C ATOM 129 CG LEU A 8 4.756 0.299 -7.970 1.00 62.11 C ATOM 130 CD1 LEU A 8 5.511 1.651 -8.030 1.00 53.45 C ATOM 131 CD2 LEU A 8 3.978 0.020 -9.277 1.00 3.44 C ATOM 0 H LEU A 8 3.878 -1.445 -6.083 1.00 21.22 H new ATOM 0 HA LEU A 8 4.781 -2.594 -8.533 1.00 44.55 H new ATOM 0 HB2 LEU A 8 6.200 -0.641 -6.663 1.00 32.41 H new ATOM 0 HB3 LEU A 8 6.528 -0.876 -8.368 1.00 32.41 H new ATOM 0 HG LEU A 8 4.017 0.365 -7.171 1.00 62.11 H new ATOM 0 HD11 LEU A 8 4.810 2.449 -8.274 1.00 53.45 H new ATOM 0 HD12 LEU A 8 5.970 1.855 -7.062 1.00 53.45 H new ATOM 0 HD13 LEU A 8 6.285 1.602 -8.796 1.00 53.45 H new ATOM 0 HD21 LEU A 8 3.307 0.853 -9.486 1.00 3.44 H new ATOM 0 HD22 LEU A 8 4.681 -0.096 -10.102 1.00 3.44 H new ATOM 0 HD23 LEU A 8 3.396 -0.895 -9.166 1.00 3.44 H new ATOM 143 N SER A 9 6.363 -3.359 -5.716 1.00 32.53 N ATOM 144 CA SER A 9 7.420 -4.173 -5.093 1.00 54.40 C ATOM 145 C SER A 9 7.065 -4.550 -3.646 1.00 12.53 C ATOM 146 O SER A 9 6.242 -3.896 -3.012 1.00 74.14 O ATOM 147 CB SER A 9 8.767 -3.421 -5.135 1.00 43.21 C ATOM 148 OG SER A 9 9.838 -4.244 -4.693 1.00 11.45 O ATOM 0 H SER A 9 5.772 -2.865 -5.047 1.00 32.53 H new ATOM 0 HA SER A 9 7.508 -5.097 -5.664 1.00 54.40 H new ATOM 0 HB2 SER A 9 8.964 -3.082 -6.152 1.00 43.21 H new ATOM 0 HB3 SER A 9 8.708 -2.531 -4.508 1.00 43.21 H new ATOM 0 HG SER A 9 10.677 -3.739 -4.733 1.00 11.45 H new ATOM 154 N TYR A 10 7.694 -5.628 -3.141 1.00 52.54 N ATOM 155 CA TYR A 10 7.605 -6.049 -1.725 1.00 45.51 C ATOM 156 C TYR A 10 9.000 -5.969 -1.088 1.00 22.40 C ATOM 157 O TYR A 10 10.021 -5.921 -1.789 1.00 4.12 O ATOM 158 CB TYR A 10 7.077 -7.509 -1.593 1.00 10.02 C ATOM 159 CG TYR A 10 5.678 -7.750 -2.174 1.00 74.13 C ATOM 160 CD1 TYR A 10 5.515 -8.107 -3.510 1.00 62.00 C ATOM 161 CD2 TYR A 10 4.525 -7.619 -1.394 1.00 60.42 C ATOM 162 CE1 TYR A 10 4.266 -8.309 -4.055 1.00 41.31 C ATOM 163 CE2 TYR A 10 3.272 -7.832 -1.941 1.00 43.14 C ATOM 164 CZ TYR A 10 3.150 -8.174 -3.272 1.00 64.15 C ATOM 165 OH TYR A 10 1.901 -8.344 -3.828 1.00 62.15 O ATOM 0 H TYR A 10 8.284 -6.238 -3.707 1.00 52.54 H new ATOM 0 HA TYR A 10 6.907 -5.383 -1.218 1.00 45.51 H new ATOM 0 HB2 TYR A 10 7.780 -8.179 -2.088 1.00 10.02 H new ATOM 0 HB3 TYR A 10 7.067 -7.781 -0.538 1.00 10.02 H new ATOM 0 HD1 TYR A 10 6.388 -8.228 -4.134 1.00 62.00 H new ATOM 0 HD2 TYR A 10 4.613 -7.348 -0.352 1.00 60.42 H new ATOM 0 HE1 TYR A 10 4.167 -8.573 -5.097 1.00 41.31 H new ATOM 0 HE2 TYR A 10 2.390 -7.731 -1.326 1.00 43.14 H new ATOM 0 HH TYR A 10 1.264 -8.599 -3.129 1.00 62.15 H new ATOM 175 N ARG A 11 9.034 -5.955 0.250 1.00 13.32 N ATOM 176 CA ARG A 11 10.268 -6.061 1.036 1.00 64.24 C ATOM 177 C ARG A 11 10.010 -7.050 2.174 1.00 12.21 C ATOM 178 O ARG A 11 9.010 -6.900 2.906 1.00 14.34 O ATOM 179 CB ARG A 11 10.717 -4.696 1.627 1.00 2.04 C ATOM 180 CG ARG A 11 10.769 -3.521 0.630 1.00 2.04 C ATOM 181 CD ARG A 11 11.572 -2.332 1.171 1.00 71.30 C ATOM 182 NE ARG A 11 11.212 -1.987 2.562 1.00 21.30 N ATOM 183 CZ ARG A 11 12.059 -1.496 3.484 1.00 44.45 C ATOM 184 NH1 ARG A 11 13.338 -1.268 3.188 1.00 61.31 N ATOM 185 NH2 ARG A 11 11.624 -1.258 4.713 1.00 53.13 N ATOM 0 H ARG A 11 8.195 -5.869 0.824 1.00 13.32 H new ATOM 0 HA ARG A 11 11.071 -6.400 0.381 1.00 64.24 H new ATOM 0 HB2 ARG A 11 10.038 -4.431 2.438 1.00 2.04 H new ATOM 0 HB3 ARG A 11 11.707 -4.819 2.067 1.00 2.04 H new ATOM 0 HG2 ARG A 11 11.213 -3.861 -0.305 1.00 2.04 H new ATOM 0 HG3 ARG A 11 9.754 -3.197 0.401 1.00 2.04 H new ATOM 0 HD2 ARG A 11 12.636 -2.565 1.122 1.00 71.30 H new ATOM 0 HD3 ARG A 11 11.406 -1.465 0.531 1.00 71.30 H new ATOM 0 HE ARG A 11 10.243 -2.133 2.846 1.00 21.30 H new ATOM 0 HH11 ARG A 11 13.688 -1.466 2.251 1.00 61.31 H new ATOM 0 HH12 ARG A 11 13.967 -0.895 3.899 1.00 61.31 H new ATOM 0 HH21 ARG A 11 10.651 -1.447 4.955 1.00 53.13 H new ATOM 0 HH22 ARG A 11 12.262 -0.886 5.417 1.00 53.13 H new ATOM 334 N ASN A 20 5.168 -7.165 6.671 1.00 4.55 N ATOM 335 CA ASN A 20 5.577 -7.232 5.257 1.00 55.11 C ATOM 336 C ASN A 20 5.375 -5.863 4.592 1.00 52.31 C ATOM 337 O ASN A 20 4.260 -5.326 4.574 1.00 3.54 O ATOM 338 CB ASN A 20 4.836 -8.379 4.485 1.00 25.02 C ATOM 339 CG ASN A 20 3.304 -8.248 4.434 1.00 74.22 C ATOM 340 OD1 ASN A 20 2.599 -8.699 5.340 1.00 21.13 O ATOM 341 ND2 ASN A 20 2.778 -7.644 3.374 1.00 34.01 N ATOM 0 HA ASN A 20 6.638 -7.480 5.216 1.00 55.11 H new ATOM 0 HB2 ASN A 20 5.216 -8.413 3.464 1.00 25.02 H new ATOM 0 HB3 ASN A 20 5.088 -9.331 4.951 1.00 25.02 H new ATOM 0 HD21 ASN A 20 1.766 -7.544 3.294 1.00 34.01 H new ATOM 0 HD22 ASN A 20 3.386 -7.281 2.640 1.00 34.01 H new ATOM 348 N VAL A 21 6.480 -5.283 4.109 1.00 72.22 N ATOM 349 CA VAL A 21 6.490 -3.934 3.542 1.00 70.35 C ATOM 350 C VAL A 21 6.217 -4.035 2.045 1.00 32.34 C ATOM 351 O VAL A 21 6.559 -5.044 1.422 1.00 53.14 O ATOM 352 CB VAL A 21 7.863 -3.208 3.784 1.00 42.40 C ATOM 353 CG1 VAL A 21 7.790 -1.710 3.406 1.00 43.44 C ATOM 354 CG2 VAL A 21 8.352 -3.397 5.234 1.00 43.34 C ATOM 0 H VAL A 21 7.393 -5.738 4.101 1.00 72.22 H new ATOM 0 HA VAL A 21 5.718 -3.344 4.036 1.00 70.35 H new ATOM 0 HB VAL A 21 8.596 -3.674 3.126 1.00 42.40 H new ATOM 0 HG11 VAL A 21 8.757 -1.242 3.587 1.00 43.44 H new ATOM 0 HG12 VAL A 21 7.531 -1.613 2.352 1.00 43.44 H new ATOM 0 HG13 VAL A 21 7.030 -1.218 4.013 1.00 43.44 H new ATOM 0 HG21 VAL A 21 9.304 -2.882 5.367 1.00 43.34 H new ATOM 0 HG22 VAL A 21 7.616 -2.983 5.923 1.00 43.34 H new ATOM 0 HG23 VAL A 21 8.482 -4.460 5.438 1.00 43.34 H new ATOM 364 N MET A 22 5.583 -3.011 1.469 1.00 10.44 N ATOM 365 CA MET A 22 5.333 -2.973 0.026 1.00 14.21 C ATOM 366 C MET A 22 5.321 -1.540 -0.497 1.00 33.44 C ATOM 367 O MET A 22 4.827 -0.616 0.175 1.00 44.10 O ATOM 368 CB MET A 22 4.011 -3.700 -0.320 1.00 1.10 C ATOM 369 CG MET A 22 2.768 -3.177 0.400 1.00 33.32 C ATOM 370 SD MET A 22 1.266 -4.044 -0.103 1.00 2.35 S ATOM 371 CE MET A 22 1.627 -5.720 0.424 1.00 73.34 C ATOM 0 H MET A 22 5.234 -2.199 1.978 1.00 10.44 H new ATOM 0 HA MET A 22 6.150 -3.498 -0.469 1.00 14.21 H new ATOM 0 HB2 MET A 22 3.846 -3.626 -1.395 1.00 1.10 H new ATOM 0 HB3 MET A 22 4.127 -4.759 -0.087 1.00 1.10 H new ATOM 0 HG2 MET A 22 2.903 -3.284 1.476 1.00 33.32 H new ATOM 0 HG3 MET A 22 2.655 -2.112 0.197 1.00 33.32 H new ATOM 0 HE1 MET A 22 1.368 -6.416 -0.374 1.00 73.34 H new ATOM 0 HE2 MET A 22 2.689 -5.809 0.652 1.00 73.34 H new ATOM 0 HE3 MET A 22 1.044 -5.955 1.314 1.00 73.34 H new ATOM 381 N ILE A 23 5.901 -1.375 -1.693 1.00 45.20 N ATOM 382 CA ILE A 23 5.877 -0.127 -2.443 1.00 31.25 C ATOM 383 C ILE A 23 4.579 -0.116 -3.269 1.00 2.41 C ATOM 384 O ILE A 23 4.499 -0.769 -4.310 1.00 60.23 O ATOM 385 CB ILE A 23 7.127 0.006 -3.406 1.00 43.23 C ATOM 386 CG1 ILE A 23 8.456 -0.448 -2.710 1.00 60.04 C ATOM 387 CG2 ILE A 23 7.260 1.446 -3.970 1.00 40.01 C ATOM 388 CD1 ILE A 23 8.841 0.295 -1.440 1.00 61.35 C ATOM 0 H ILE A 23 6.407 -2.122 -2.169 1.00 45.20 H new ATOM 0 HA ILE A 23 5.918 0.714 -1.751 1.00 31.25 H new ATOM 0 HB ILE A 23 6.952 -0.668 -4.244 1.00 43.23 H new ATOM 0 HG12 ILE A 23 8.373 -1.509 -2.474 1.00 60.04 H new ATOM 0 HG13 ILE A 23 9.270 -0.344 -3.427 1.00 60.04 H new ATOM 0 HG21 ILE A 23 8.128 1.501 -4.627 1.00 40.01 H new ATOM 0 HG22 ILE A 23 6.362 1.700 -4.533 1.00 40.01 H new ATOM 0 HG23 ILE A 23 7.383 2.149 -3.146 1.00 40.01 H new ATOM 0 HD11 ILE A 23 9.776 -0.108 -1.052 1.00 61.35 H new ATOM 0 HD12 ILE A 23 8.967 1.355 -1.662 1.00 61.35 H new ATOM 0 HD13 ILE A 23 8.056 0.172 -0.694 1.00 61.35 H new ATOM 400 N ILE A 24 3.557 0.563 -2.753 1.00 70.21 N ATOM 401 CA ILE A 24 2.244 0.691 -3.410 1.00 23.44 C ATOM 402 C ILE A 24 2.212 1.994 -4.206 1.00 62.13 C ATOM 403 O ILE A 24 2.614 3.028 -3.701 1.00 43.43 O ATOM 404 CB ILE A 24 1.088 0.727 -2.340 1.00 34.34 C ATOM 405 CG1 ILE A 24 1.084 -0.570 -1.488 1.00 24.41 C ATOM 406 CG2 ILE A 24 -0.302 0.977 -2.989 1.00 30.11 C ATOM 407 CD1 ILE A 24 0.177 -0.521 -0.270 1.00 13.25 C ATOM 0 H ILE A 24 3.611 1.048 -1.857 1.00 70.21 H new ATOM 0 HA ILE A 24 2.096 -0.167 -4.066 1.00 23.44 H new ATOM 0 HB ILE A 24 1.285 1.570 -1.678 1.00 34.34 H new ATOM 0 HG12 ILE A 24 0.778 -1.404 -2.120 1.00 24.41 H new ATOM 0 HG13 ILE A 24 2.102 -0.777 -1.159 1.00 24.41 H new ATOM 0 HG21 ILE A 24 -1.068 0.994 -2.214 1.00 30.11 H new ATOM 0 HG22 ILE A 24 -0.293 1.934 -3.511 1.00 30.11 H new ATOM 0 HG23 ILE A 24 -0.521 0.179 -3.698 1.00 30.11 H new ATOM 0 HD11 ILE A 24 0.236 -1.468 0.266 1.00 13.25 H new ATOM 0 HD12 ILE A 24 0.494 0.289 0.387 1.00 13.25 H new ATOM 0 HD13 ILE A 24 -0.851 -0.348 -0.589 1.00 13.25 H new ATOM 419 N LYS A 25 1.746 1.922 -5.450 1.00 61.42 N ATOM 420 CA LYS A 25 1.467 3.093 -6.278 1.00 61.22 C ATOM 421 C LYS A 25 -0.060 3.246 -6.391 1.00 23.23 C ATOM 422 O LYS A 25 -0.688 2.533 -7.184 1.00 64.51 O ATOM 423 CB LYS A 25 2.095 2.900 -7.678 1.00 75.11 C ATOM 424 CG LYS A 25 1.919 4.091 -8.642 1.00 53.45 C ATOM 425 CD LYS A 25 2.242 3.739 -10.112 1.00 43.13 C ATOM 426 CE LYS A 25 1.294 2.665 -10.674 1.00 70.55 C ATOM 427 NZ LYS A 25 1.555 2.393 -12.113 1.00 71.33 N ATOM 0 H LYS A 25 1.549 1.037 -5.918 1.00 61.42 H new ATOM 0 HA LYS A 25 1.896 3.990 -5.831 1.00 61.22 H new ATOM 0 HB2 LYS A 25 3.160 2.704 -7.558 1.00 75.11 H new ATOM 0 HB3 LYS A 25 1.658 2.013 -8.137 1.00 75.11 H new ATOM 0 HG2 LYS A 25 0.892 4.452 -8.579 1.00 53.45 H new ATOM 0 HG3 LYS A 25 2.565 4.908 -8.321 1.00 53.45 H new ATOM 0 HD2 LYS A 25 2.172 4.639 -10.723 1.00 43.13 H new ATOM 0 HD3 LYS A 25 3.271 3.386 -10.182 1.00 43.13 H new ATOM 0 HE2 LYS A 25 1.410 1.744 -10.103 1.00 70.55 H new ATOM 0 HE3 LYS A 25 0.261 2.990 -10.547 1.00 70.55 H new ATOM 0 HZ1 LYS A 25 0.896 1.664 -12.454 1.00 71.33 H new ATOM 0 HZ2 LYS A 25 1.419 3.266 -12.662 1.00 71.33 H new ATOM 0 HZ3 LYS A 25 2.533 2.058 -12.231 1.00 71.33 H new ATOM 441 N PRO A 26 -0.706 4.115 -5.554 1.00 2.01 N ATOM 442 CA PRO A 26 -2.155 4.347 -5.640 1.00 31.24 C ATOM 443 C PRO A 26 -2.514 5.089 -6.948 1.00 44.54 C ATOM 444 O PRO A 26 -2.002 6.179 -7.207 1.00 24.10 O ATOM 445 CB PRO A 26 -2.488 5.175 -4.369 1.00 34.53 C ATOM 446 CG PRO A 26 -1.250 5.126 -3.515 1.00 24.31 C ATOM 447 CD PRO A 26 -0.099 4.931 -4.471 1.00 5.13 C ATOM 0 HA PRO A 26 -2.736 3.425 -5.673 1.00 31.24 H new ATOM 0 HB2 PRO A 26 -2.745 6.202 -4.627 1.00 34.53 H new ATOM 0 HB3 PRO A 26 -3.344 4.755 -3.841 1.00 34.53 H new ATOM 0 HG2 PRO A 26 -1.132 6.047 -2.944 1.00 24.31 H new ATOM 0 HG3 PRO A 26 -1.303 4.309 -2.795 1.00 24.31 H new ATOM 0 HD2 PRO A 26 0.281 5.881 -4.845 1.00 5.13 H new ATOM 0 HD3 PRO A 26 0.738 4.417 -3.998 1.00 5.13 H new ATOM 455 N LEU A 27 -3.391 4.466 -7.753 1.00 44.32 N ATOM 456 CA LEU A 27 -3.797 4.964 -9.088 1.00 44.14 C ATOM 457 C LEU A 27 -4.423 6.377 -9.014 1.00 54.13 C ATOM 458 O LEU A 27 -4.315 7.172 -9.955 1.00 55.01 O ATOM 459 CB LEU A 27 -4.801 3.956 -9.721 1.00 43.14 C ATOM 460 CG LEU A 27 -4.275 2.488 -9.881 1.00 55.13 C ATOM 461 CD1 LEU A 27 -5.350 1.553 -10.479 1.00 55.11 C ATOM 462 CD2 LEU A 27 -2.976 2.453 -10.712 1.00 64.54 C ATOM 0 H LEU A 27 -3.847 3.590 -7.496 1.00 44.32 H new ATOM 0 HA LEU A 27 -2.906 5.045 -9.711 1.00 44.14 H new ATOM 0 HB2 LEU A 27 -5.703 3.935 -9.109 1.00 43.14 H new ATOM 0 HB3 LEU A 27 -5.091 4.328 -10.703 1.00 43.14 H new ATOM 0 HG LEU A 27 -4.046 2.114 -8.883 1.00 55.13 H new ATOM 0 HD11 LEU A 27 -4.944 0.546 -10.573 1.00 55.11 H new ATOM 0 HD12 LEU A 27 -6.221 1.534 -9.824 1.00 55.11 H new ATOM 0 HD13 LEU A 27 -5.644 1.919 -11.463 1.00 55.11 H new ATOM 0 HD21 LEU A 27 -2.633 1.423 -10.808 1.00 64.54 H new ATOM 0 HD22 LEU A 27 -3.167 2.865 -11.703 1.00 64.54 H new ATOM 0 HD23 LEU A 27 -2.209 3.046 -10.214 1.00 64.54 H new ATOM 474 N ASP A 28 -5.058 6.665 -7.866 1.00 64.03 N ATOM 475 CA ASP A 28 -5.721 7.959 -7.593 1.00 3.55 C ATOM 476 C ASP A 28 -4.753 8.990 -6.974 1.00 44.52 C ATOM 477 O ASP A 28 -4.921 10.194 -7.160 1.00 24.42 O ATOM 478 CB ASP A 28 -6.931 7.727 -6.645 1.00 41.33 C ATOM 479 CG ASP A 28 -7.702 9.016 -6.298 1.00 3.22 C ATOM 480 OD1 ASP A 28 -8.300 9.621 -7.213 1.00 41.24 O ATOM 481 OD2 ASP A 28 -7.721 9.423 -5.115 1.00 4.12 O ATOM 0 H ASP A 28 -5.128 6.004 -7.093 1.00 64.03 H new ATOM 0 HA ASP A 28 -6.063 8.369 -8.544 1.00 3.55 H new ATOM 0 HB2 ASP A 28 -7.616 7.019 -7.111 1.00 41.33 H new ATOM 0 HB3 ASP A 28 -6.576 7.267 -5.723 1.00 41.33 H new ATOM 486 N VAL A 29 -3.740 8.505 -6.249 1.00 73.51 N ATOM 487 CA VAL A 29 -2.798 9.355 -5.503 1.00 14.13 C ATOM 488 C VAL A 29 -1.456 9.416 -6.242 1.00 22.00 C ATOM 489 O VAL A 29 -0.649 8.488 -6.151 1.00 11.15 O ATOM 490 CB VAL A 29 -2.592 8.807 -4.052 1.00 55.31 C ATOM 491 CG1 VAL A 29 -1.573 9.640 -3.260 1.00 44.41 C ATOM 492 CG2 VAL A 29 -3.933 8.698 -3.298 1.00 53.13 C ATOM 0 H VAL A 29 -3.547 7.507 -6.161 1.00 73.51 H new ATOM 0 HA VAL A 29 -3.213 10.360 -5.433 1.00 14.13 H new ATOM 0 HB VAL A 29 -2.179 7.803 -4.146 1.00 55.31 H new ATOM 0 HG11 VAL A 29 -1.462 9.223 -2.259 1.00 44.41 H new ATOM 0 HG12 VAL A 29 -0.610 9.619 -3.771 1.00 44.41 H new ATOM 0 HG13 VAL A 29 -1.923 10.670 -3.187 1.00 44.41 H new ATOM 0 HG21 VAL A 29 -3.755 8.314 -2.293 1.00 53.13 H new ATOM 0 HG22 VAL A 29 -4.395 9.683 -3.234 1.00 53.13 H new ATOM 0 HG23 VAL A 29 -4.597 8.020 -3.833 1.00 53.13 H new ATOM 502 N ASN A 30 -1.235 10.503 -6.987 1.00 25.02 N ATOM 503 CA ASN A 30 0.008 10.723 -7.757 1.00 41.52 C ATOM 504 C ASN A 30 0.719 12.000 -7.273 1.00 23.01 C ATOM 505 O ASN A 30 1.661 12.477 -7.916 1.00 11.33 O ATOM 506 CB ASN A 30 -0.318 10.786 -9.274 1.00 63.33 C ATOM 507 CG ASN A 30 -0.870 9.462 -9.824 1.00 24.22 C ATOM 508 OD1 ASN A 30 -0.133 8.629 -10.358 1.00 1.22 O ATOM 509 ND2 ASN A 30 -2.171 9.257 -9.694 1.00 43.15 N ATOM 0 H ASN A 30 -1.911 11.262 -7.078 1.00 25.02 H new ATOM 0 HA ASN A 30 0.689 9.888 -7.593 1.00 41.52 H new ATOM 0 HB2 ASN A 30 -1.045 11.578 -9.451 1.00 63.33 H new ATOM 0 HB3 ASN A 30 0.585 11.053 -9.823 1.00 63.33 H new ATOM 0 HD21 ASN A 30 -2.588 8.393 -10.040 1.00 43.15 H new ATOM 0 HD22 ASN A 30 -2.757 9.963 -9.248 1.00 43.15 H new ATOM 516 N SER A 31 0.268 12.536 -6.120 1.00 10.00 N ATOM 517 CA SER A 31 0.871 13.717 -5.472 1.00 70.20 C ATOM 518 C SER A 31 1.317 13.379 -4.033 1.00 44.40 C ATOM 519 O SER A 31 0.694 12.549 -3.352 1.00 32.22 O ATOM 520 CB SER A 31 -0.131 14.893 -5.466 1.00 1.25 C ATOM 521 OG SER A 31 -0.593 15.194 -6.779 1.00 25.41 O ATOM 0 H SER A 31 -0.530 12.158 -5.610 1.00 10.00 H new ATOM 0 HA SER A 31 1.752 14.013 -6.042 1.00 70.20 H new ATOM 0 HB2 SER A 31 -0.980 14.645 -4.829 1.00 1.25 H new ATOM 0 HB3 SER A 31 0.344 15.775 -5.036 1.00 1.25 H new ATOM 0 HG SER A 31 -1.226 15.941 -6.740 1.00 25.41 H new ATOM 527 N ARG A 32 2.389 14.059 -3.580 1.00 24.23 N ATOM 528 CA ARG A 32 2.995 13.862 -2.251 1.00 73.31 C ATOM 529 C ARG A 32 2.019 14.245 -1.129 1.00 5.15 C ATOM 530 O ARG A 32 1.963 13.583 -0.096 1.00 41.54 O ATOM 531 CB ARG A 32 4.283 14.716 -2.151 1.00 11.03 C ATOM 532 CG ARG A 32 5.171 14.438 -0.922 1.00 50.21 C ATOM 533 CD ARG A 32 6.437 15.313 -0.919 1.00 73.32 C ATOM 534 NE ARG A 32 7.350 14.985 0.194 1.00 24.22 N ATOM 535 CZ ARG A 32 8.678 15.229 0.202 1.00 33.51 C ATOM 536 NH1 ARG A 32 9.270 15.825 -0.833 1.00 60.45 N ATOM 537 NH2 ARG A 32 9.406 14.886 1.259 1.00 14.13 N ATOM 0 H ARG A 32 2.864 14.770 -4.136 1.00 24.23 H new ATOM 0 HA ARG A 32 3.238 12.806 -2.131 1.00 73.31 H new ATOM 0 HB2 ARG A 32 4.877 14.553 -3.050 1.00 11.03 H new ATOM 0 HB3 ARG A 32 4.000 15.769 -2.142 1.00 11.03 H new ATOM 0 HG2 ARG A 32 4.600 14.623 -0.012 1.00 50.21 H new ATOM 0 HG3 ARG A 32 5.457 13.386 -0.911 1.00 50.21 H new ATOM 0 HD2 ARG A 32 6.963 15.187 -1.865 1.00 73.32 H new ATOM 0 HD3 ARG A 32 6.149 16.362 -0.851 1.00 73.32 H new ATOM 0 HE ARG A 32 6.947 14.541 1.019 1.00 24.22 H new ATOM 0 HH11 ARG A 32 8.719 16.103 -1.645 1.00 60.45 H new ATOM 0 HH12 ARG A 32 10.274 16.003 -0.813 1.00 60.45 H new ATOM 0 HH21 ARG A 32 8.962 14.440 2.061 1.00 14.13 H new ATOM 0 HH22 ARG A 32 10.409 15.069 1.268 1.00 14.13 H new ATOM 551 N GLU A 33 1.233 15.304 -1.376 1.00 65.31 N ATOM 552 CA GLU A 33 0.266 15.846 -0.402 1.00 31.34 C ATOM 553 C GLU A 33 -0.849 14.825 -0.124 1.00 33.11 C ATOM 554 O GLU A 33 -1.159 14.520 1.037 1.00 3.44 O ATOM 555 CB GLU A 33 -0.375 17.169 -0.908 1.00 45.11 C ATOM 556 CG GLU A 33 0.594 18.346 -1.148 1.00 60.05 C ATOM 557 CD GLU A 33 1.487 18.171 -2.389 1.00 64.04 C ATOM 558 OE1 GLU A 33 0.999 18.396 -3.514 1.00 72.20 O ATOM 559 OE2 GLU A 33 2.666 17.789 -2.252 1.00 43.22 O ATOM 0 H GLU A 33 1.248 15.813 -2.260 1.00 65.31 H new ATOM 0 HA GLU A 33 0.816 16.052 0.516 1.00 31.34 H new ATOM 0 HB2 GLU A 33 -0.899 16.961 -1.841 1.00 45.11 H new ATOM 0 HB3 GLU A 33 -1.126 17.485 -0.184 1.00 45.11 H new ATOM 0 HG2 GLU A 33 0.016 19.264 -1.254 1.00 60.05 H new ATOM 0 HG3 GLU A 33 1.228 18.468 -0.270 1.00 60.05 H new ATOM 566 N GLU A 34 -1.409 14.285 -1.228 1.00 14.14 N ATOM 567 CA GLU A 34 -2.493 13.287 -1.191 1.00 22.31 C ATOM 568 C GLU A 34 -2.024 11.989 -0.509 1.00 24.15 C ATOM 569 O GLU A 34 -2.822 11.282 0.102 1.00 41.21 O ATOM 570 CB GLU A 34 -2.984 12.975 -2.626 1.00 41.22 C ATOM 571 CG GLU A 34 -3.512 14.184 -3.417 1.00 31.33 C ATOM 572 CD GLU A 34 -3.923 13.824 -4.859 1.00 71.12 C ATOM 573 OE1 GLU A 34 -3.045 13.411 -5.648 1.00 51.11 O ATOM 574 OE2 GLU A 34 -5.119 13.937 -5.204 1.00 23.15 O ATOM 0 H GLU A 34 -1.118 14.532 -2.174 1.00 14.14 H new ATOM 0 HA GLU A 34 -3.316 13.705 -0.612 1.00 22.31 H new ATOM 0 HB2 GLU A 34 -2.162 12.527 -3.184 1.00 41.22 H new ATOM 0 HB3 GLU A 34 -3.774 12.227 -2.567 1.00 41.22 H new ATOM 0 HG2 GLU A 34 -4.370 14.607 -2.895 1.00 31.33 H new ATOM 0 HG3 GLU A 34 -2.744 14.957 -3.446 1.00 31.33 H new ATOM 581 N ALA A 35 -0.723 11.692 -0.638 1.00 40.10 N ATOM 582 CA ALA A 35 -0.092 10.511 -0.031 1.00 30.13 C ATOM 583 C ALA A 35 0.211 10.737 1.459 1.00 5.10 C ATOM 584 O ALA A 35 0.086 9.818 2.277 1.00 32.02 O ATOM 585 CB ALA A 35 1.190 10.170 -0.805 1.00 41.14 C ATOM 0 H ALA A 35 -0.073 12.270 -1.171 1.00 40.10 H new ATOM 0 HA ALA A 35 -0.786 9.672 -0.091 1.00 30.13 H new ATOM 0 HB1 ALA A 35 1.662 9.295 -0.359 1.00 41.14 H new ATOM 0 HB2 ALA A 35 0.942 9.958 -1.845 1.00 41.14 H new ATOM 0 HB3 ALA A 35 1.877 11.015 -0.761 1.00 41.14 H new ATOM 591 N SER A 36 0.596 11.977 1.797 1.00 31.25 N ATOM 592 CA SER A 36 1.072 12.349 3.144 1.00 52.15 C ATOM 593 C SER A 36 -0.097 12.399 4.146 1.00 14.14 C ATOM 594 O SER A 36 0.086 12.190 5.348 1.00 52.10 O ATOM 595 CB SER A 36 1.799 13.718 3.085 1.00 32.03 C ATOM 596 OG SER A 36 2.451 14.026 4.310 1.00 11.21 O ATOM 0 H SER A 36 0.587 12.758 1.141 1.00 31.25 H new ATOM 0 HA SER A 36 1.774 11.589 3.488 1.00 52.15 H new ATOM 0 HB2 SER A 36 2.531 13.706 2.277 1.00 32.03 H new ATOM 0 HB3 SER A 36 1.079 14.502 2.850 1.00 32.03 H new ATOM 0 HG SER A 36 2.898 14.894 4.233 1.00 11.21 H new ATOM 602 N LYS A 37 -1.307 12.681 3.630 1.00 33.32 N ATOM 603 CA LYS A 37 -2.545 12.679 4.440 1.00 61.40 C ATOM 604 C LYS A 37 -3.107 11.244 4.609 1.00 41.43 C ATOM 605 O LYS A 37 -4.111 11.039 5.293 1.00 23.12 O ATOM 606 CB LYS A 37 -3.583 13.649 3.801 1.00 15.14 C ATOM 607 CG LYS A 37 -4.061 13.255 2.381 1.00 25.25 C ATOM 608 CD LYS A 37 -4.739 14.417 1.611 1.00 15.44 C ATOM 609 CE LYS A 37 -5.959 15.009 2.334 1.00 33.02 C ATOM 610 NZ LYS A 37 -7.039 14.009 2.553 1.00 54.30 N ATOM 0 H LYS A 37 -1.457 12.915 2.649 1.00 33.32 H new ATOM 0 HA LYS A 37 -2.318 13.036 5.445 1.00 61.40 H new ATOM 0 HB2 LYS A 37 -4.452 13.710 4.456 1.00 15.14 H new ATOM 0 HB3 LYS A 37 -3.146 14.647 3.757 1.00 15.14 H new ATOM 0 HG2 LYS A 37 -3.207 12.898 1.805 1.00 25.25 H new ATOM 0 HG3 LYS A 37 -4.762 12.424 2.460 1.00 25.25 H new ATOM 0 HD2 LYS A 37 -4.007 15.207 1.446 1.00 15.44 H new ATOM 0 HD3 LYS A 37 -5.048 14.059 0.629 1.00 15.44 H new ATOM 0 HE2 LYS A 37 -5.645 15.414 3.296 1.00 33.02 H new ATOM 0 HE3 LYS A 37 -6.353 15.841 1.751 1.00 33.02 H new ATOM 0 HZ1 LYS A 37 -7.837 14.461 3.044 1.00 54.30 H new ATOM 0 HZ2 LYS A 37 -7.361 13.640 1.636 1.00 54.30 H new ATOM 0 HZ3 LYS A 37 -6.675 13.226 3.133 1.00 54.30 H new ATOM 624 N LEU A 38 -2.425 10.252 3.995 1.00 73.12 N ATOM 625 CA LEU A 38 -2.769 8.822 4.126 1.00 33.12 C ATOM 626 C LEU A 38 -1.885 8.104 5.168 1.00 13.00 C ATOM 627 O LEU A 38 -2.038 6.896 5.355 1.00 61.43 O ATOM 628 CB LEU A 38 -2.650 8.098 2.756 1.00 53.23 C ATOM 629 CG LEU A 38 -3.599 8.574 1.620 1.00 31.24 C ATOM 630 CD1 LEU A 38 -3.342 7.774 0.320 1.00 75.20 C ATOM 631 CD2 LEU A 38 -5.078 8.490 2.061 1.00 75.14 C ATOM 0 H LEU A 38 -1.619 10.423 3.394 1.00 73.12 H new ATOM 0 HA LEU A 38 -3.802 8.778 4.472 1.00 33.12 H new ATOM 0 HB2 LEU A 38 -1.623 8.203 2.406 1.00 53.23 H new ATOM 0 HB3 LEU A 38 -2.824 7.034 2.919 1.00 53.23 H new ATOM 0 HG LEU A 38 -3.383 9.622 1.410 1.00 31.24 H new ATOM 0 HD11 LEU A 38 -4.017 8.123 -0.462 1.00 75.20 H new ATOM 0 HD12 LEU A 38 -2.310 7.920 0.001 1.00 75.20 H new ATOM 0 HD13 LEU A 38 -3.518 6.714 0.504 1.00 75.20 H new ATOM 0 HD21 LEU A 38 -5.720 8.829 1.248 1.00 75.14 H new ATOM 0 HD22 LEU A 38 -5.325 7.458 2.312 1.00 75.14 H new ATOM 0 HD23 LEU A 38 -5.234 9.124 2.934 1.00 75.14 H new ATOM 643 N ILE A 39 -0.971 8.830 5.841 1.00 75.11 N ATOM 644 CA ILE A 39 -0.080 8.222 6.854 1.00 2.23 C ATOM 645 C ILE A 39 -0.895 7.777 8.084 1.00 33.23 C ATOM 646 O ILE A 39 -1.399 8.610 8.846 1.00 44.54 O ATOM 647 CB ILE A 39 1.090 9.188 7.276 1.00 43.01 C ATOM 648 CG1 ILE A 39 1.935 9.597 6.032 1.00 51.41 C ATOM 649 CG2 ILE A 39 2.003 8.546 8.351 1.00 10.45 C ATOM 650 CD1 ILE A 39 2.563 8.437 5.288 1.00 73.25 C ATOM 0 H ILE A 39 -0.829 9.831 5.705 1.00 75.11 H new ATOM 0 HA ILE A 39 0.382 7.346 6.399 1.00 2.23 H new ATOM 0 HB ILE A 39 0.637 10.080 7.710 1.00 43.01 H new ATOM 0 HG12 ILE A 39 1.298 10.152 5.343 1.00 51.41 H new ATOM 0 HG13 ILE A 39 2.725 10.276 6.353 1.00 51.41 H new ATOM 0 HG21 ILE A 39 2.798 9.243 8.616 1.00 10.45 H new ATOM 0 HG22 ILE A 39 1.413 8.314 9.238 1.00 10.45 H new ATOM 0 HG23 ILE A 39 2.441 7.629 7.956 1.00 10.45 H new ATOM 0 HD11 ILE A 39 3.132 8.815 4.438 1.00 73.25 H new ATOM 0 HD12 ILE A 39 3.229 7.893 5.958 1.00 73.25 H new ATOM 0 HD13 ILE A 39 1.781 7.767 4.932 1.00 73.25 H new ATOM 662 N GLY A 40 -1.020 6.451 8.247 1.00 2.42 N ATOM 663 CA GLY A 40 -1.811 5.855 9.328 1.00 21.03 C ATOM 664 C GLY A 40 -3.012 5.083 8.813 1.00 75.42 C ATOM 665 O GLY A 40 -3.605 4.303 9.555 1.00 21.11 O ATOM 0 H GLY A 40 -0.577 5.766 7.635 1.00 2.42 H new ATOM 0 HA2 GLY A 40 -1.177 5.187 9.912 1.00 21.03 H new ATOM 0 HA3 GLY A 40 -2.151 6.642 10.001 1.00 21.03 H new ATOM 669 N ARG A 41 -3.376 5.314 7.536 1.00 74.12 N ATOM 670 CA ARG A 41 -4.557 4.686 6.913 1.00 43.14 C ATOM 671 C ARG A 41 -4.328 3.189 6.673 1.00 4.32 C ATOM 672 O ARG A 41 -3.186 2.749 6.458 1.00 73.34 O ATOM 673 CB ARG A 41 -4.969 5.423 5.601 1.00 42.40 C ATOM 674 CG ARG A 41 -5.909 6.648 5.778 1.00 41.30 C ATOM 675 CD ARG A 41 -5.322 7.817 6.589 1.00 60.14 C ATOM 676 NE ARG A 41 -5.197 7.541 8.034 1.00 74.01 N ATOM 677 CZ ARG A 41 -4.642 8.381 8.930 1.00 14.13 C ATOM 678 NH1 ARG A 41 -4.169 9.567 8.548 1.00 32.24 N ATOM 679 NH2 ARG A 41 -4.564 8.023 10.207 1.00 60.33 N ATOM 0 H ARG A 41 -2.863 5.937 6.912 1.00 74.12 H new ATOM 0 HA ARG A 41 -5.389 4.781 7.611 1.00 43.14 H new ATOM 0 HB2 ARG A 41 -4.063 5.755 5.094 1.00 42.40 H new ATOM 0 HB3 ARG A 41 -5.459 4.706 4.942 1.00 42.40 H new ATOM 0 HG2 ARG A 41 -6.188 7.016 4.791 1.00 41.30 H new ATOM 0 HG3 ARG A 41 -6.826 6.314 6.264 1.00 41.30 H new ATOM 0 HD2 ARG A 41 -4.338 8.065 6.190 1.00 60.14 H new ATOM 0 HD3 ARG A 41 -5.953 8.695 6.450 1.00 60.14 H new ATOM 0 HE ARG A 41 -5.556 6.651 8.379 1.00 74.01 H new ATOM 0 HH11 ARG A 41 -4.225 9.847 7.569 1.00 32.24 H new ATOM 0 HH12 ARG A 41 -3.751 10.195 9.235 1.00 32.24 H new ATOM 0 HH21 ARG A 41 -4.923 7.116 10.505 1.00 60.33 H new ATOM 0 HH22 ARG A 41 -4.145 8.655 10.889 1.00 60.33 H new ATOM 693 N LEU A 42 -5.442 2.442 6.663 1.00 73.34 N ATOM 694 CA LEU A 42 -5.436 0.979 6.713 1.00 34.02 C ATOM 695 C LEU A 42 -5.510 0.417 5.298 1.00 24.54 C ATOM 696 O LEU A 42 -6.509 0.603 4.616 1.00 31.11 O ATOM 697 CB LEU A 42 -6.653 0.493 7.548 1.00 41.10 C ATOM 698 CG LEU A 42 -6.704 -1.035 7.878 1.00 0.13 C ATOM 699 CD1 LEU A 42 -5.608 -1.425 8.895 1.00 74.30 C ATOM 700 CD2 LEU A 42 -8.111 -1.453 8.356 1.00 63.44 C ATOM 0 H LEU A 42 -6.379 2.843 6.620 1.00 73.34 H new ATOM 0 HA LEU A 42 -4.516 0.629 7.181 1.00 34.02 H new ATOM 0 HB2 LEU A 42 -6.666 1.046 8.487 1.00 41.10 H new ATOM 0 HB3 LEU A 42 -7.564 0.757 7.010 1.00 41.10 H new ATOM 0 HG LEU A 42 -6.498 -1.585 6.960 1.00 0.13 H new ATOM 0 HD11 LEU A 42 -5.669 -2.493 9.104 1.00 74.30 H new ATOM 0 HD12 LEU A 42 -4.627 -1.192 8.480 1.00 74.30 H new ATOM 0 HD13 LEU A 42 -5.753 -0.865 9.819 1.00 74.30 H new ATOM 0 HD21 LEU A 42 -8.118 -2.520 8.578 1.00 63.44 H new ATOM 0 HD22 LEU A 42 -8.371 -0.893 9.255 1.00 63.44 H new ATOM 0 HD23 LEU A 42 -8.839 -1.241 7.573 1.00 63.44 H new ATOM 712 N VAL A 43 -4.455 -0.265 4.852 1.00 5.52 N ATOM 713 CA VAL A 43 -4.414 -0.842 3.502 1.00 23.43 C ATOM 714 C VAL A 43 -4.795 -2.325 3.575 1.00 52.13 C ATOM 715 O VAL A 43 -4.279 -3.064 4.412 1.00 65.43 O ATOM 716 CB VAL A 43 -2.999 -0.698 2.839 1.00 71.51 C ATOM 717 CG1 VAL A 43 -3.023 -1.203 1.380 1.00 31.41 C ATOM 718 CG2 VAL A 43 -2.488 0.756 2.912 1.00 44.51 C ATOM 0 H VAL A 43 -3.614 -0.433 5.405 1.00 5.52 H new ATOM 0 HA VAL A 43 -5.124 -0.293 2.884 1.00 23.43 H new ATOM 0 HB VAL A 43 -2.303 -1.319 3.403 1.00 71.51 H new ATOM 0 HG11 VAL A 43 -2.031 -1.093 0.941 1.00 31.41 H new ATOM 0 HG12 VAL A 43 -3.313 -2.254 1.363 1.00 31.41 H new ATOM 0 HG13 VAL A 43 -3.741 -0.619 0.805 1.00 31.41 H new ATOM 0 HG21 VAL A 43 -1.506 0.820 2.444 1.00 44.51 H new ATOM 0 HG22 VAL A 43 -3.183 1.413 2.389 1.00 44.51 H new ATOM 0 HG23 VAL A 43 -2.414 1.064 3.955 1.00 44.51 H new ATOM 728 N LEU A 44 -5.710 -2.735 2.701 1.00 14.12 N ATOM 729 CA LEU A 44 -6.180 -4.113 2.612 1.00 14.14 C ATOM 730 C LEU A 44 -5.607 -4.746 1.336 1.00 35.23 C ATOM 731 O LEU A 44 -6.073 -4.453 0.225 1.00 61.45 O ATOM 732 CB LEU A 44 -7.736 -4.124 2.614 1.00 44.13 C ATOM 733 CG LEU A 44 -8.426 -3.479 3.862 1.00 51.52 C ATOM 734 CD1 LEU A 44 -9.962 -3.581 3.767 1.00 1.31 C ATOM 735 CD2 LEU A 44 -7.906 -4.089 5.185 1.00 52.05 C ATOM 0 H LEU A 44 -6.151 -2.111 2.026 1.00 14.12 H new ATOM 0 HA LEU A 44 -5.841 -4.697 3.467 1.00 14.14 H new ATOM 0 HB2 LEU A 44 -8.084 -3.603 1.722 1.00 44.13 H new ATOM 0 HB3 LEU A 44 -8.072 -5.158 2.532 1.00 44.13 H new ATOM 0 HG LEU A 44 -8.161 -2.422 3.866 1.00 51.52 H new ATOM 0 HD11 LEU A 44 -10.412 -3.124 4.648 1.00 1.31 H new ATOM 0 HD12 LEU A 44 -10.307 -3.061 2.873 1.00 1.31 H new ATOM 0 HD13 LEU A 44 -10.254 -4.630 3.712 1.00 1.31 H new ATOM 0 HD21 LEU A 44 -8.410 -3.614 6.027 1.00 52.05 H new ATOM 0 HD22 LEU A 44 -8.110 -5.160 5.197 1.00 52.05 H new ATOM 0 HD23 LEU A 44 -6.832 -3.923 5.265 1.00 52.05 H new ATOM 747 N TRP A 45 -4.547 -5.557 1.496 1.00 13.21 N ATOM 748 CA TRP A 45 -3.946 -6.318 0.386 1.00 21.34 C ATOM 749 C TRP A 45 -4.431 -7.763 0.428 1.00 13.41 C ATOM 750 O TRP A 45 -4.517 -8.375 1.496 1.00 11.55 O ATOM 751 CB TRP A 45 -2.398 -6.281 0.443 1.00 74.11 C ATOM 752 CG TRP A 45 -1.706 -7.159 -0.592 1.00 70.14 C ATOM 753 CD1 TRP A 45 -1.776 -7.057 -1.955 1.00 60.33 C ATOM 754 CD2 TRP A 45 -0.848 -8.275 -0.326 1.00 22.41 C ATOM 755 NE1 TRP A 45 -1.031 -8.050 -2.538 1.00 73.32 N ATOM 756 CE2 TRP A 45 -0.448 -8.805 -1.558 1.00 13.31 C ATOM 757 CE3 TRP A 45 -0.391 -8.874 0.846 1.00 5.41 C ATOM 758 CZ2 TRP A 45 0.398 -9.908 -1.653 1.00 43.21 C ATOM 759 CZ3 TRP A 45 0.456 -9.964 0.754 1.00 62.35 C ATOM 760 CH2 TRP A 45 0.840 -10.472 -0.490 1.00 52.13 C ATOM 0 H TRP A 45 -4.084 -5.703 2.393 1.00 13.21 H new ATOM 0 HA TRP A 45 -4.258 -5.852 -0.549 1.00 21.34 H new ATOM 0 HB2 TRP A 45 -2.067 -5.251 0.307 1.00 74.11 H new ATOM 0 HB3 TRP A 45 -2.076 -6.591 1.437 1.00 74.11 H new ATOM 0 HD1 TRP A 45 -2.335 -6.305 -2.492 1.00 60.33 H new ATOM 0 HE1 TRP A 45 -0.928 -8.201 -3.541 1.00 73.32 H new ATOM 0 HE3 TRP A 45 -0.693 -8.494 1.811 1.00 5.41 H new ATOM 0 HZ2 TRP A 45 0.694 -10.304 -2.613 1.00 43.21 H new ATOM 0 HZ3 TRP A 45 0.826 -10.429 1.656 1.00 62.35 H new ATOM 0 HH2 TRP A 45 1.499 -11.327 -0.533 1.00 52.13 H new ATOM 771 N LYS A 46 -4.686 -8.302 -0.751 1.00 54.12 N ATOM 772 CA LYS A 46 -5.128 -9.672 -0.944 1.00 75.23 C ATOM 773 C LYS A 46 -3.890 -10.568 -1.156 1.00 75.51 C ATOM 774 O LYS A 46 -3.283 -10.548 -2.232 1.00 63.11 O ATOM 775 CB LYS A 46 -6.083 -9.699 -2.167 1.00 52.33 C ATOM 776 CG LYS A 46 -6.492 -11.103 -2.659 1.00 34.44 C ATOM 777 CD LYS A 46 -7.372 -11.057 -3.928 1.00 2.12 C ATOM 778 CE LYS A 46 -6.686 -10.311 -5.090 1.00 35.00 C ATOM 779 NZ LYS A 46 -5.291 -10.786 -5.305 1.00 61.53 N ATOM 0 H LYS A 46 -4.589 -7.785 -1.625 1.00 54.12 H new ATOM 0 HA LYS A 46 -5.667 -10.050 -0.075 1.00 75.23 H new ATOM 0 HB2 LYS A 46 -6.986 -9.145 -1.913 1.00 52.33 H new ATOM 0 HB3 LYS A 46 -5.605 -9.169 -2.991 1.00 52.33 H new ATOM 0 HG2 LYS A 46 -5.595 -11.687 -2.865 1.00 34.44 H new ATOM 0 HG3 LYS A 46 -7.033 -11.618 -1.865 1.00 34.44 H new ATOM 0 HD2 LYS A 46 -7.607 -12.074 -4.241 1.00 2.12 H new ATOM 0 HD3 LYS A 46 -8.318 -10.569 -3.694 1.00 2.12 H new ATOM 0 HE2 LYS A 46 -7.263 -10.452 -6.004 1.00 35.00 H new ATOM 0 HE3 LYS A 46 -6.678 -9.241 -4.881 1.00 35.00 H new ATOM 0 HZ1 LYS A 46 -4.886 -10.310 -6.136 1.00 61.53 H new ATOM 0 HZ2 LYS A 46 -4.716 -10.567 -4.466 1.00 61.53 H new ATOM 0 HZ3 LYS A 46 -5.295 -11.814 -5.463 1.00 61.53 H new ATOM 793 N SER A 47 -3.472 -11.290 -0.102 1.00 44.32 N ATOM 794 CA SER A 47 -2.354 -12.245 -0.176 1.00 24.44 C ATOM 795 C SER A 47 -2.691 -13.428 -1.117 1.00 53.53 C ATOM 796 O SER A 47 -3.868 -13.788 -1.249 1.00 52.40 O ATOM 797 CB SER A 47 -2.003 -12.762 1.241 1.00 71.41 C ATOM 798 OG SER A 47 -3.064 -13.513 1.807 1.00 2.33 O ATOM 0 H SER A 47 -3.899 -11.228 0.822 1.00 44.32 H new ATOM 0 HA SER A 47 -1.488 -11.727 -0.589 1.00 24.44 H new ATOM 0 HB2 SER A 47 -1.107 -13.381 1.190 1.00 71.41 H new ATOM 0 HB3 SER A 47 -1.770 -11.917 1.889 1.00 71.41 H new ATOM 0 HG SER A 47 -3.866 -12.953 1.866 1.00 2.33 H new ATOM 804 N PRO A 48 -1.660 -14.053 -1.787 1.00 22.44 N ATOM 805 CA PRO A 48 -1.837 -15.297 -2.588 1.00 4.54 C ATOM 806 C PRO A 48 -2.421 -16.472 -1.763 1.00 24.44 C ATOM 807 O PRO A 48 -2.968 -17.423 -2.323 1.00 1.33 O ATOM 808 CB PRO A 48 -0.402 -15.606 -3.090 1.00 44.21 C ATOM 809 CG PRO A 48 0.303 -14.288 -3.052 1.00 72.43 C ATOM 810 CD PRO A 48 -0.253 -13.580 -1.844 1.00 23.41 C ATOM 0 HA PRO A 48 -2.558 -15.165 -3.395 1.00 4.54 H new ATOM 0 HB2 PRO A 48 0.092 -16.338 -2.452 1.00 44.21 H new ATOM 0 HB3 PRO A 48 -0.415 -16.020 -4.098 1.00 44.21 H new ATOM 0 HG2 PRO A 48 1.382 -14.420 -2.970 1.00 72.43 H new ATOM 0 HG3 PRO A 48 0.121 -13.717 -3.962 1.00 72.43 H new ATOM 0 HD2 PRO A 48 0.295 -13.839 -0.938 1.00 23.41 H new ATOM 0 HD3 PRO A 48 -0.197 -12.497 -1.952 1.00 23.41 H new ATOM 818 N SER A 49 -2.307 -16.367 -0.427 1.00 62.03 N ATOM 819 CA SER A 49 -2.838 -17.357 0.527 1.00 2.14 C ATOM 820 C SER A 49 -4.393 -17.320 0.615 1.00 72.43 C ATOM 821 O SER A 49 -5.007 -18.194 1.238 1.00 41.02 O ATOM 822 CB SER A 49 -2.196 -17.093 1.909 1.00 4.31 C ATOM 823 OG SER A 49 -2.511 -18.107 2.850 1.00 61.33 O ATOM 0 H SER A 49 -1.838 -15.583 0.026 1.00 62.03 H new ATOM 0 HA SER A 49 -2.581 -18.357 0.177 1.00 2.14 H new ATOM 0 HB2 SER A 49 -1.114 -17.027 1.798 1.00 4.31 H new ATOM 0 HB3 SER A 49 -2.537 -16.130 2.288 1.00 4.31 H new ATOM 0 HG SER A 49 -3.407 -18.458 2.665 1.00 61.33 H new ATOM 829 N GLY A 50 -5.018 -16.312 -0.021 1.00 50.12 N ATOM 830 CA GLY A 50 -6.479 -16.141 0.000 1.00 72.40 C ATOM 831 C GLY A 50 -6.965 -15.466 1.265 1.00 2.43 C ATOM 832 O GLY A 50 -8.063 -15.764 1.770 1.00 24.42 O ATOM 0 H GLY A 50 -4.527 -15.599 -0.560 1.00 50.12 H new ATOM 0 HA2 GLY A 50 -6.785 -15.551 -0.864 1.00 72.40 H new ATOM 0 HA3 GLY A 50 -6.957 -17.116 -0.095 1.00 72.40 H new ATOM 836 N LYS A 51 -6.124 -14.563 1.793 1.00 4.02 N ATOM 837 CA LYS A 51 -6.417 -13.779 3.004 1.00 33.00 C ATOM 838 C LYS A 51 -6.196 -12.297 2.699 1.00 4.35 C ATOM 839 O LYS A 51 -5.315 -11.946 1.921 1.00 4.14 O ATOM 840 CB LYS A 51 -5.493 -14.217 4.176 1.00 44.33 C ATOM 841 CG LYS A 51 -5.610 -15.697 4.570 1.00 54.14 C ATOM 842 CD LYS A 51 -7.011 -16.057 5.109 1.00 10.33 C ATOM 843 CE LYS A 51 -7.293 -17.562 5.052 1.00 23.50 C ATOM 844 NZ LYS A 51 -7.297 -18.063 3.649 1.00 50.04 N ATOM 0 H LYS A 51 -5.212 -14.354 1.387 1.00 4.02 H new ATOM 0 HA LYS A 51 -7.452 -13.950 3.300 1.00 33.00 H new ATOM 0 HB2 LYS A 51 -4.459 -14.009 3.902 1.00 44.33 H new ATOM 0 HB3 LYS A 51 -5.721 -13.604 5.048 1.00 44.33 H new ATOM 0 HG2 LYS A 51 -5.387 -16.319 3.703 1.00 54.14 H new ATOM 0 HG3 LYS A 51 -4.862 -15.928 5.329 1.00 54.14 H new ATOM 0 HD2 LYS A 51 -7.100 -15.713 6.139 1.00 10.33 H new ATOM 0 HD3 LYS A 51 -7.767 -15.527 4.530 1.00 10.33 H new ATOM 0 HE2 LYS A 51 -6.538 -18.097 5.628 1.00 23.50 H new ATOM 0 HE3 LYS A 51 -8.256 -17.771 5.517 1.00 23.50 H new ATOM 0 HZ1 LYS A 51 -7.958 -18.861 3.567 1.00 50.04 H new ATOM 0 HZ2 LYS A 51 -7.595 -17.300 3.009 1.00 50.04 H new ATOM 0 HZ3 LYS A 51 -6.340 -18.378 3.390 1.00 50.04 H new ATOM 858 N ILE A 52 -6.998 -11.433 3.315 1.00 61.24 N ATOM 859 CA ILE A 52 -6.850 -9.976 3.177 1.00 74.12 C ATOM 860 C ILE A 52 -6.101 -9.435 4.404 1.00 63.02 C ATOM 861 O ILE A 52 -6.679 -9.293 5.490 1.00 74.12 O ATOM 862 CB ILE A 52 -8.242 -9.261 2.961 1.00 64.03 C ATOM 863 CG1 ILE A 52 -8.887 -9.749 1.620 1.00 2.23 C ATOM 864 CG2 ILE A 52 -8.103 -7.720 2.980 1.00 12.24 C ATOM 865 CD1 ILE A 52 -10.219 -9.109 1.252 1.00 75.52 C ATOM 0 H ILE A 52 -7.767 -11.715 3.923 1.00 61.24 H new ATOM 0 HA ILE A 52 -6.266 -9.757 2.283 1.00 74.12 H new ATOM 0 HB ILE A 52 -8.897 -9.532 3.789 1.00 64.03 H new ATOM 0 HG12 ILE A 52 -8.181 -9.563 0.811 1.00 2.23 H new ATOM 0 HG13 ILE A 52 -9.028 -10.828 1.679 1.00 2.23 H new ATOM 0 HG21 ILE A 52 -9.082 -7.265 2.828 1.00 12.24 H new ATOM 0 HG22 ILE A 52 -7.700 -7.403 3.942 1.00 12.24 H new ATOM 0 HG23 ILE A 52 -7.429 -7.406 2.183 1.00 12.24 H new ATOM 0 HD11 ILE A 52 -10.572 -9.521 0.307 1.00 75.52 H new ATOM 0 HD12 ILE A 52 -10.950 -9.316 2.033 1.00 75.52 H new ATOM 0 HD13 ILE A 52 -10.090 -8.031 1.152 1.00 75.52 H new ATOM 877 N LEU A 53 -4.787 -9.195 4.214 1.00 23.50 N ATOM 878 CA LEU A 53 -3.899 -8.666 5.253 1.00 24.44 C ATOM 879 C LEU A 53 -4.181 -7.173 5.438 1.00 22.54 C ATOM 880 O LEU A 53 -4.361 -6.445 4.449 1.00 60.24 O ATOM 881 CB LEU A 53 -2.392 -8.871 4.891 1.00 1.04 C ATOM 882 CG LEU A 53 -1.945 -10.297 4.436 1.00 3.52 C ATOM 883 CD1 LEU A 53 -0.403 -10.370 4.308 1.00 73.15 C ATOM 884 CD2 LEU A 53 -2.489 -11.405 5.365 1.00 22.30 C ATOM 0 H LEU A 53 -4.315 -9.366 3.326 1.00 23.50 H new ATOM 0 HA LEU A 53 -4.095 -9.211 6.177 1.00 24.44 H new ATOM 0 HB2 LEU A 53 -2.139 -8.170 4.096 1.00 1.04 H new ATOM 0 HB3 LEU A 53 -1.797 -8.594 5.761 1.00 1.04 H new ATOM 0 HG LEU A 53 -2.379 -10.477 3.452 1.00 3.52 H new ATOM 0 HD11 LEU A 53 -0.111 -11.371 3.990 1.00 73.15 H new ATOM 0 HD12 LEU A 53 -0.064 -9.642 3.571 1.00 73.15 H new ATOM 0 HD13 LEU A 53 0.053 -10.148 5.273 1.00 73.15 H new ATOM 0 HD21 LEU A 53 -2.151 -12.378 5.008 1.00 22.30 H new ATOM 0 HD22 LEU A 53 -2.121 -11.243 6.378 1.00 22.30 H new ATOM 0 HD23 LEU A 53 -3.579 -11.377 5.366 1.00 22.30 H new ATOM 896 N LYS A 54 -4.227 -6.732 6.694 1.00 64.10 N ATOM 897 CA LYS A 54 -4.399 -5.318 7.030 1.00 20.12 C ATOM 898 C LYS A 54 -3.024 -4.696 7.306 1.00 21.21 C ATOM 899 O LYS A 54 -2.164 -5.324 7.942 1.00 65.33 O ATOM 900 CB LYS A 54 -5.340 -5.146 8.252 1.00 60.12 C ATOM 901 CG LYS A 54 -6.680 -5.928 8.155 1.00 1.12 C ATOM 902 CD LYS A 54 -7.820 -5.312 9.003 1.00 44.45 C ATOM 903 CE LYS A 54 -7.434 -5.062 10.469 1.00 40.52 C ATOM 904 NZ LYS A 54 -7.047 -6.308 11.185 1.00 74.31 N ATOM 0 H LYS A 54 -4.146 -7.343 7.507 1.00 64.10 H new ATOM 0 HA LYS A 54 -4.864 -4.805 6.188 1.00 20.12 H new ATOM 0 HB2 LYS A 54 -4.811 -5.468 9.149 1.00 60.12 H new ATOM 0 HB3 LYS A 54 -5.562 -4.086 8.376 1.00 60.12 H new ATOM 0 HG2 LYS A 54 -6.994 -5.966 7.112 1.00 1.12 H new ATOM 0 HG3 LYS A 54 -6.515 -6.957 8.476 1.00 1.12 H new ATOM 0 HD2 LYS A 54 -8.127 -4.369 8.552 1.00 44.45 H new ATOM 0 HD3 LYS A 54 -8.683 -5.977 8.972 1.00 44.45 H new ATOM 0 HE2 LYS A 54 -6.605 -4.355 10.506 1.00 40.52 H new ATOM 0 HE3 LYS A 54 -8.273 -4.597 10.986 1.00 40.52 H new ATOM 0 HZ1 LYS A 54 -7.206 -6.186 12.205 1.00 74.31 H new ATOM 0 HZ2 LYS A 54 -7.623 -7.101 10.837 1.00 74.31 H new ATOM 0 HZ3 LYS A 54 -6.041 -6.509 11.013 1.00 74.31 H new ATOM 918 N GLY A 55 -2.824 -3.466 6.820 1.00 0.13 N ATOM 919 CA GLY A 55 -1.538 -2.779 6.911 1.00 72.25 C ATOM 920 C GLY A 55 -1.683 -1.312 7.210 1.00 5.04 C ATOM 921 O GLY A 55 -2.799 -0.803 7.291 1.00 73.51 O ATOM 0 H GLY A 55 -3.550 -2.922 6.354 1.00 0.13 H new ATOM 0 HA2 GLY A 55 -0.935 -3.246 7.690 1.00 72.25 H new ATOM 0 HA3 GLY A 55 -0.998 -2.903 5.973 1.00 72.25 H new ATOM 925 N LYS A 56 -0.552 -0.619 7.363 1.00 24.42 N ATOM 926 CA LYS A 56 -0.532 0.797 7.744 1.00 32.23 C ATOM 927 C LYS A 56 0.538 1.527 6.937 1.00 73.21 C ATOM 928 O LYS A 56 1.696 1.094 6.915 1.00 75.40 O ATOM 929 CB LYS A 56 -0.258 0.936 9.262 1.00 12.12 C ATOM 930 CG LYS A 56 -0.430 2.372 9.801 1.00 52.32 C ATOM 931 CD LYS A 56 -0.143 2.498 11.316 1.00 10.42 C ATOM 932 CE LYS A 56 -0.885 1.444 12.166 1.00 34.44 C ATOM 933 NZ LYS A 56 -0.854 1.777 13.616 1.00 3.24 N ATOM 0 H LYS A 56 0.375 -1.022 7.227 1.00 24.42 H new ATOM 0 HA LYS A 56 -1.503 1.243 7.529 1.00 32.23 H new ATOM 0 HB2 LYS A 56 -0.931 0.272 9.805 1.00 12.12 H new ATOM 0 HB3 LYS A 56 0.758 0.600 9.470 1.00 12.12 H new ATOM 0 HG2 LYS A 56 0.237 3.039 9.256 1.00 52.32 H new ATOM 0 HG3 LYS A 56 -1.448 2.707 9.602 1.00 52.32 H new ATOM 0 HD2 LYS A 56 0.930 2.402 11.485 1.00 10.42 H new ATOM 0 HD3 LYS A 56 -0.431 3.494 11.652 1.00 10.42 H new ATOM 0 HE2 LYS A 56 -1.920 1.372 11.832 1.00 34.44 H new ATOM 0 HE3 LYS A 56 -0.431 0.466 12.009 1.00 34.44 H new ATOM 0 HZ1 LYS A 56 -1.363 1.045 14.151 1.00 3.24 H new ATOM 0 HZ2 LYS A 56 0.133 1.821 13.941 1.00 3.24 H new ATOM 0 HZ3 LYS A 56 -1.310 2.699 13.770 1.00 3.24 H new ATOM 947 N ILE A 57 0.138 2.621 6.269 1.00 61.24 N ATOM 948 CA ILE A 57 1.062 3.491 5.537 1.00 52.44 C ATOM 949 C ILE A 57 1.961 4.227 6.543 1.00 60.43 C ATOM 950 O ILE A 57 1.516 5.164 7.215 1.00 51.04 O ATOM 951 CB ILE A 57 0.288 4.514 4.632 1.00 55.31 C ATOM 952 CG1 ILE A 57 -0.676 3.754 3.675 1.00 21.01 C ATOM 953 CG2 ILE A 57 1.265 5.413 3.839 1.00 12.13 C ATOM 954 CD1 ILE A 57 -1.566 4.635 2.822 1.00 31.51 C ATOM 0 H ILE A 57 -0.835 2.924 6.223 1.00 61.24 H new ATOM 0 HA ILE A 57 1.677 2.878 4.878 1.00 52.44 H new ATOM 0 HB ILE A 57 -0.302 5.166 5.276 1.00 55.31 H new ATOM 0 HG12 ILE A 57 -0.083 3.119 3.017 1.00 21.01 H new ATOM 0 HG13 ILE A 57 -1.308 3.095 4.270 1.00 21.01 H new ATOM 0 HG21 ILE A 57 0.698 6.110 3.222 1.00 12.13 H new ATOM 0 HG22 ILE A 57 1.892 5.971 4.534 1.00 12.13 H new ATOM 0 HG23 ILE A 57 1.894 4.792 3.201 1.00 12.13 H new ATOM 0 HD11 ILE A 57 -2.199 4.011 2.191 1.00 31.51 H new ATOM 0 HD12 ILE A 57 -2.192 5.252 3.466 1.00 31.51 H new ATOM 0 HD13 ILE A 57 -0.948 5.277 2.194 1.00 31.51 H new ATOM 966 N VAL A 58 3.211 3.759 6.652 1.00 13.44 N ATOM 967 CA VAL A 58 4.180 4.267 7.639 1.00 22.53 C ATOM 968 C VAL A 58 4.884 5.532 7.119 1.00 34.31 C ATOM 969 O VAL A 58 5.148 6.460 7.887 1.00 64.50 O ATOM 970 CB VAL A 58 5.227 3.156 8.035 1.00 52.23 C ATOM 971 CG1 VAL A 58 4.516 1.972 8.729 1.00 53.51 C ATOM 972 CG2 VAL A 58 6.052 2.668 6.814 1.00 61.44 C ATOM 0 H VAL A 58 3.582 3.017 6.059 1.00 13.44 H new ATOM 0 HA VAL A 58 3.628 4.537 8.539 1.00 22.53 H new ATOM 0 HB VAL A 58 5.932 3.603 8.736 1.00 52.23 H new ATOM 0 HG11 VAL A 58 5.251 1.213 8.997 1.00 53.51 H new ATOM 0 HG12 VAL A 58 4.015 2.326 9.630 1.00 53.51 H new ATOM 0 HG13 VAL A 58 3.780 1.541 8.050 1.00 53.51 H new ATOM 0 HG21 VAL A 58 6.760 1.904 7.135 1.00 61.44 H new ATOM 0 HG22 VAL A 58 5.380 2.249 6.065 1.00 61.44 H new ATOM 0 HG23 VAL A 58 6.596 3.508 6.383 1.00 61.44 H new ATOM 982 N ARG A 59 5.130 5.568 5.797 1.00 35.50 N ATOM 983 CA ARG A 59 5.790 6.699 5.120 1.00 65.21 C ATOM 984 C ARG A 59 5.557 6.600 3.610 1.00 54.51 C ATOM 985 O ARG A 59 5.344 5.509 3.074 1.00 45.14 O ATOM 986 CB ARG A 59 7.314 6.764 5.470 1.00 43.41 C ATOM 987 CG ARG A 59 8.133 7.863 4.739 1.00 22.21 C ATOM 988 CD ARG A 59 9.431 8.242 5.475 1.00 1.53 C ATOM 989 NE ARG A 59 10.196 7.071 5.948 1.00 64.11 N ATOM 990 CZ ARG A 59 10.886 7.015 7.104 1.00 63.32 C ATOM 991 NH1 ARG A 59 10.933 8.071 7.923 1.00 64.32 N ATOM 992 NH2 ARG A 59 11.504 5.886 7.445 1.00 13.21 N ATOM 0 H ARG A 59 4.875 4.809 5.165 1.00 35.50 H new ATOM 0 HA ARG A 59 5.350 7.630 5.477 1.00 65.21 H new ATOM 0 HB2 ARG A 59 7.414 6.918 6.544 1.00 43.41 H new ATOM 0 HB3 ARG A 59 7.760 5.795 5.244 1.00 43.41 H new ATOM 0 HG2 ARG A 59 8.380 7.516 3.736 1.00 22.21 H new ATOM 0 HG3 ARG A 59 7.514 8.753 4.625 1.00 22.21 H new ATOM 0 HD2 ARG A 59 10.059 8.833 4.809 1.00 1.53 H new ATOM 0 HD3 ARG A 59 9.186 8.876 6.327 1.00 1.53 H new ATOM 0 HE ARG A 59 10.203 6.241 5.355 1.00 64.11 H new ATOM 0 HH11 ARG A 59 10.443 8.931 7.675 1.00 64.32 H new ATOM 0 HH12 ARG A 59 11.459 8.017 8.795 1.00 64.32 H new ATOM 0 HH21 ARG A 59 11.453 5.072 6.833 1.00 13.21 H new ATOM 0 HH22 ARG A 59 12.028 5.835 8.318 1.00 13.21 H new ATOM 1006 N VAL A 60 5.593 7.751 2.927 1.00 21.14 N ATOM 1007 CA VAL A 60 5.393 7.833 1.472 1.00 11.40 C ATOM 1008 C VAL A 60 6.738 7.736 0.752 1.00 3.15 C ATOM 1009 O VAL A 60 7.803 7.772 1.379 1.00 72.33 O ATOM 1010 CB VAL A 60 4.666 9.167 1.066 1.00 71.32 C ATOM 1011 CG1 VAL A 60 3.377 9.331 1.877 1.00 33.12 C ATOM 1012 CG2 VAL A 60 5.574 10.412 1.220 1.00 54.11 C ATOM 0 H VAL A 60 5.762 8.655 3.368 1.00 21.14 H new ATOM 0 HA VAL A 60 4.759 6.998 1.174 1.00 11.40 H new ATOM 0 HB VAL A 60 4.419 9.092 0.007 1.00 71.32 H new ATOM 0 HG11 VAL A 60 2.881 10.258 1.588 1.00 33.12 H new ATOM 0 HG12 VAL A 60 2.714 8.488 1.681 1.00 33.12 H new ATOM 0 HG13 VAL A 60 3.617 9.364 2.940 1.00 33.12 H new ATOM 0 HG21 VAL A 60 5.021 11.304 0.926 1.00 54.11 H new ATOM 0 HG22 VAL A 60 5.889 10.506 2.259 1.00 54.11 H new ATOM 0 HG23 VAL A 60 6.452 10.303 0.583 1.00 54.11 H new ATOM 1022 N HIS A 61 6.676 7.600 -0.563 1.00 41.35 N ATOM 1023 CA HIS A 61 7.853 7.489 -1.415 1.00 74.12 C ATOM 1024 C HIS A 61 7.792 8.617 -2.456 1.00 73.51 C ATOM 1025 O HIS A 61 6.983 8.558 -3.393 1.00 4.32 O ATOM 1026 CB HIS A 61 7.892 6.083 -2.070 1.00 72.54 C ATOM 1027 CG HIS A 61 9.129 5.813 -2.875 1.00 3.34 C ATOM 1028 ND1 HIS A 61 9.258 6.194 -4.189 1.00 33.15 N ATOM 1029 CD2 HIS A 61 10.302 5.219 -2.542 1.00 24.41 C ATOM 1030 CE1 HIS A 61 10.447 5.852 -4.630 1.00 50.12 C ATOM 1031 NE2 HIS A 61 11.104 5.258 -3.653 1.00 70.53 N ATOM 0 H HIS A 61 5.796 7.563 -1.077 1.00 41.35 H new ATOM 0 HA HIS A 61 8.772 7.596 -0.839 1.00 74.12 H new ATOM 0 HB2 HIS A 61 7.809 5.328 -1.288 1.00 72.54 H new ATOM 0 HB3 HIS A 61 7.021 5.971 -2.715 1.00 72.54 H new ATOM 0 HD2 HIS A 61 10.556 4.795 -1.582 1.00 24.41 H new ATOM 0 HE1 HIS A 61 10.824 6.028 -5.627 1.00 50.12 H new ATOM 0 HE2 HIS A 61 12.053 4.888 -3.714 1.00 70.53 H new ATOM 1040 N GLY A 62 8.615 9.659 -2.227 1.00 43.11 N ATOM 1041 CA GLY A 62 8.781 10.780 -3.151 1.00 13.43 C ATOM 1042 C GLY A 62 7.527 11.632 -3.337 1.00 31.04 C ATOM 1043 O GLY A 62 6.706 11.759 -2.419 1.00 3.12 O ATOM 0 H GLY A 62 9.185 9.740 -1.385 1.00 43.11 H new ATOM 0 HA2 GLY A 62 9.589 11.417 -2.790 1.00 13.43 H new ATOM 0 HA3 GLY A 62 9.090 10.393 -4.122 1.00 13.43 H new ATOM 1047 N THR A 63 7.402 12.232 -4.533 1.00 13.14 N ATOM 1048 CA THR A 63 6.240 13.046 -4.919 1.00 23.14 C ATOM 1049 C THR A 63 5.239 12.246 -5.768 1.00 70.04 C ATOM 1050 O THR A 63 4.121 12.716 -6.007 1.00 3.13 O ATOM 1051 CB THR A 63 6.689 14.325 -5.700 1.00 24.03 C ATOM 1052 OG1 THR A 63 7.474 13.946 -6.841 1.00 72.30 O ATOM 1053 CG2 THR A 63 7.509 15.279 -4.816 1.00 45.54 C ATOM 0 H THR A 63 8.111 12.164 -5.264 1.00 13.14 H new ATOM 0 HA THR A 63 5.742 13.346 -3.997 1.00 23.14 H new ATOM 0 HB THR A 63 5.788 14.849 -6.018 1.00 24.03 H new ATOM 0 HG1 THR A 63 7.752 14.750 -7.328 1.00 72.30 H new ATOM 0 HG21 THR A 63 7.800 16.154 -5.397 1.00 45.54 H new ATOM 0 HG22 THR A 63 6.906 15.594 -3.964 1.00 45.54 H new ATOM 0 HG23 THR A 63 8.402 14.767 -4.459 1.00 45.54 H new ATOM 1061 N LYS A 64 5.645 11.032 -6.203 1.00 24.54 N ATOM 1062 CA LYS A 64 4.824 10.150 -7.070 1.00 53.54 C ATOM 1063 C LYS A 64 3.503 9.714 -6.402 1.00 74.01 C ATOM 1064 O LYS A 64 2.652 9.128 -7.071 1.00 33.20 O ATOM 1065 CB LYS A 64 5.633 8.886 -7.472 1.00 20.43 C ATOM 1066 CG LYS A 64 6.771 9.127 -8.489 1.00 72.32 C ATOM 1067 CD LYS A 64 7.558 7.829 -8.793 1.00 5.20 C ATOM 1068 CE LYS A 64 8.623 8.013 -9.884 1.00 41.54 C ATOM 1069 NZ LYS A 64 8.022 8.318 -11.211 1.00 3.13 N ATOM 0 H LYS A 64 6.553 10.633 -5.963 1.00 24.54 H new ATOM 0 HA LYS A 64 4.570 10.735 -7.954 1.00 53.54 H new ATOM 0 HB2 LYS A 64 6.060 8.446 -6.571 1.00 20.43 H new ATOM 0 HB3 LYS A 64 4.944 8.151 -7.889 1.00 20.43 H new ATOM 0 HG2 LYS A 64 6.353 9.523 -9.414 1.00 72.32 H new ATOM 0 HG3 LYS A 64 7.453 9.882 -8.098 1.00 72.32 H new ATOM 0 HD2 LYS A 64 8.039 7.480 -7.879 1.00 5.20 H new ATOM 0 HD3 LYS A 64 6.860 7.052 -9.103 1.00 5.20 H new ATOM 0 HE2 LYS A 64 9.297 8.820 -9.598 1.00 41.54 H new ATOM 0 HE3 LYS A 64 9.224 7.107 -9.959 1.00 41.54 H new ATOM 0 HZ1 LYS A 64 8.769 8.333 -11.935 1.00 3.13 H new ATOM 0 HZ2 LYS A 64 7.322 7.587 -11.451 1.00 3.13 H new ATOM 0 HZ3 LYS A 64 7.555 9.247 -11.175 1.00 3.13 H new ATOM 1083 N GLY A 65 3.371 9.945 -5.080 1.00 23.04 N ATOM 1084 CA GLY A 65 2.173 9.548 -4.338 1.00 1.15 C ATOM 1085 C GLY A 65 2.204 8.087 -3.929 1.00 22.20 C ATOM 1086 O GLY A 65 1.271 7.606 -3.276 1.00 35.51 O ATOM 0 H GLY A 65 4.082 10.404 -4.511 1.00 23.04 H new ATOM 0 HA2 GLY A 65 2.078 10.170 -3.448 1.00 1.15 H new ATOM 0 HA3 GLY A 65 1.291 9.732 -4.952 1.00 1.15 H new ATOM 1090 N ALA A 66 3.287 7.385 -4.324 1.00 30.40 N ATOM 1091 CA ALA A 66 3.505 5.986 -3.984 1.00 21.22 C ATOM 1092 C ALA A 66 3.701 5.834 -2.469 1.00 72.00 C ATOM 1093 O ALA A 66 4.622 6.404 -1.904 1.00 64.34 O ATOM 1094 CB ALA A 66 4.710 5.429 -4.768 1.00 0.10 C ATOM 0 H ALA A 66 4.033 7.787 -4.892 1.00 30.40 H new ATOM 0 HA ALA A 66 2.626 5.407 -4.267 1.00 21.22 H new ATOM 0 HB1 ALA A 66 4.863 4.382 -4.505 1.00 0.10 H new ATOM 0 HB2 ALA A 66 4.517 5.510 -5.838 1.00 0.10 H new ATOM 0 HB3 ALA A 66 5.603 6.000 -4.516 1.00 0.10 H new ATOM 1100 N VAL A 67 2.823 5.068 -1.817 1.00 15.11 N ATOM 1101 CA VAL A 67 2.837 4.913 -0.351 1.00 72.44 C ATOM 1102 C VAL A 67 3.485 3.571 0.038 1.00 2.41 C ATOM 1103 O VAL A 67 3.414 2.595 -0.710 1.00 42.15 O ATOM 1104 CB VAL A 67 1.382 5.016 0.240 1.00 13.31 C ATOM 1105 CG1 VAL A 67 0.762 6.415 -0.012 1.00 32.43 C ATOM 1106 CG2 VAL A 67 0.467 3.898 -0.304 1.00 25.03 C ATOM 0 H VAL A 67 2.085 4.539 -2.282 1.00 15.11 H new ATOM 0 HA VAL A 67 3.430 5.723 0.073 1.00 72.44 H new ATOM 0 HB VAL A 67 1.464 4.880 1.318 1.00 13.31 H new ATOM 0 HG11 VAL A 67 -0.243 6.449 0.410 1.00 32.43 H new ATOM 0 HG12 VAL A 67 1.380 7.178 0.461 1.00 32.43 H new ATOM 0 HG13 VAL A 67 0.712 6.603 -1.085 1.00 32.43 H new ATOM 0 HG21 VAL A 67 -0.529 4.002 0.126 1.00 25.03 H new ATOM 0 HG22 VAL A 67 0.403 3.976 -1.389 1.00 25.03 H new ATOM 0 HG23 VAL A 67 0.880 2.926 -0.033 1.00 25.03 H new ATOM 1116 N ARG A 68 4.152 3.545 1.198 1.00 41.13 N ATOM 1117 CA ARG A 68 4.839 2.343 1.702 1.00 12.21 C ATOM 1118 C ARG A 68 4.140 1.854 2.975 1.00 63.14 C ATOM 1119 O ARG A 68 4.137 2.544 4.005 1.00 31.32 O ATOM 1120 CB ARG A 68 6.349 2.645 1.925 1.00 21.44 C ATOM 1121 CG ARG A 68 7.117 2.943 0.614 1.00 13.23 C ATOM 1122 CD ARG A 68 8.607 3.267 0.830 1.00 24.30 C ATOM 1123 NE ARG A 68 8.840 4.633 1.353 1.00 62.05 N ATOM 1124 CZ ARG A 68 10.055 5.160 1.621 1.00 43.13 C ATOM 1125 NH1 ARG A 68 11.155 4.430 1.438 1.00 65.43 N ATOM 1126 NH2 ARG A 68 10.161 6.421 2.052 1.00 4.01 N ATOM 0 H ARG A 68 4.232 4.353 1.815 1.00 41.13 H new ATOM 0 HA ARG A 68 4.783 1.540 0.967 1.00 12.21 H new ATOM 0 HB2 ARG A 68 6.446 3.498 2.596 1.00 21.44 H new ATOM 0 HB3 ARG A 68 6.812 1.793 2.423 1.00 21.44 H new ATOM 0 HG2 ARG A 68 7.034 2.082 -0.049 1.00 13.23 H new ATOM 0 HG3 ARG A 68 6.641 3.783 0.107 1.00 13.23 H new ATOM 0 HD2 ARG A 68 9.032 2.542 1.524 1.00 24.30 H new ATOM 0 HD3 ARG A 68 9.137 3.152 -0.115 1.00 24.30 H new ATOM 0 HE ARG A 68 8.023 5.219 1.523 1.00 62.05 H new ATOM 0 HH11 ARG A 68 11.080 3.472 1.095 1.00 65.43 H new ATOM 0 HH12 ARG A 68 12.072 4.829 1.641 1.00 65.43 H new ATOM 0 HH21 ARG A 68 9.323 6.989 2.180 1.00 4.01 H new ATOM 0 HH22 ARG A 68 11.080 6.816 2.253 1.00 4.01 H new ATOM 1140 N ALA A 69 3.522 0.662 2.887 1.00 40.32 N ATOM 1141 CA ALA A 69 2.687 0.111 3.965 1.00 31.13 C ATOM 1142 C ALA A 69 3.305 -1.161 4.558 1.00 13.23 C ATOM 1143 O ALA A 69 3.782 -2.033 3.820 1.00 22.20 O ATOM 1144 CB ALA A 69 1.269 -0.143 3.439 1.00 53.23 C ATOM 0 H ALA A 69 3.588 0.057 2.069 1.00 40.32 H new ATOM 0 HA ALA A 69 2.633 0.839 4.774 1.00 31.13 H new ATOM 0 HB1 ALA A 69 0.652 -0.551 4.239 1.00 53.23 H new ATOM 0 HB2 ALA A 69 0.837 0.795 3.090 1.00 53.23 H new ATOM 0 HB3 ALA A 69 1.309 -0.853 2.613 1.00 53.23 H new ATOM 1150 N ARG A 70 3.321 -1.229 5.901 1.00 72.20 N ATOM 1151 CA ARG A 70 3.754 -2.410 6.663 1.00 41.13 C ATOM 1152 C ARG A 70 2.512 -3.153 7.184 1.00 65.51 C ATOM 1153 O ARG A 70 1.692 -2.559 7.892 1.00 2.34 O ATOM 1154 CB ARG A 70 4.655 -1.984 7.846 1.00 12.34 C ATOM 1155 CG ARG A 70 5.956 -1.267 7.443 1.00 22.34 C ATOM 1156 CD ARG A 70 6.866 -0.976 8.653 1.00 3.32 C ATOM 1157 NE ARG A 70 7.210 -2.195 9.414 1.00 52.13 N ATOM 1158 CZ ARG A 70 8.345 -2.897 9.285 1.00 63.34 C ATOM 1159 NH1 ARG A 70 9.279 -2.530 8.413 1.00 60.23 N ATOM 1160 NH2 ARG A 70 8.537 -3.976 10.024 1.00 22.54 N ATOM 0 H ARG A 70 3.029 -0.453 6.495 1.00 72.20 H new ATOM 0 HA ARG A 70 4.330 -3.070 6.014 1.00 41.13 H new ATOM 0 HB2 ARG A 70 4.083 -1.327 8.501 1.00 12.34 H new ATOM 0 HB3 ARG A 70 4.910 -2.870 8.427 1.00 12.34 H new ATOM 0 HG2 ARG A 70 6.498 -1.881 6.724 1.00 22.34 H new ATOM 0 HG3 ARG A 70 5.711 -0.330 6.942 1.00 22.34 H new ATOM 0 HD2 ARG A 70 7.782 -0.498 8.307 1.00 3.32 H new ATOM 0 HD3 ARG A 70 6.368 -0.268 9.315 1.00 3.32 H new ATOM 0 HE ARG A 70 6.527 -2.530 10.094 1.00 52.13 H new ATOM 0 HH11 ARG A 70 9.137 -1.704 7.831 1.00 60.23 H new ATOM 0 HH12 ARG A 70 10.137 -3.074 8.326 1.00 60.23 H new ATOM 0 HH21 ARG A 70 7.823 -4.272 10.690 1.00 22.54 H new ATOM 0 HH22 ARG A 70 9.399 -4.513 9.929 1.00 22.54 H new ATOM 1174 N PHE A 71 2.379 -4.444 6.841 1.00 14.05 N ATOM 1175 CA PHE A 71 1.181 -5.247 7.163 1.00 50.13 C ATOM 1176 C PHE A 71 1.413 -6.113 8.409 1.00 2.23 C ATOM 1177 O PHE A 71 2.360 -6.895 8.446 1.00 33.44 O ATOM 1178 CB PHE A 71 0.773 -6.110 5.943 1.00 2.25 C ATOM 1179 CG PHE A 71 0.201 -5.295 4.787 1.00 64.12 C ATOM 1180 CD1 PHE A 71 0.987 -4.367 4.106 1.00 63.21 C ATOM 1181 CD2 PHE A 71 -1.130 -5.427 4.411 1.00 74.43 C ATOM 1182 CE1 PHE A 71 0.456 -3.609 3.088 1.00 71.11 C ATOM 1183 CE2 PHE A 71 -1.655 -4.670 3.390 1.00 11.25 C ATOM 1184 CZ PHE A 71 -0.862 -3.757 2.733 1.00 61.12 C ATOM 0 H PHE A 71 3.096 -4.963 6.333 1.00 14.05 H new ATOM 0 HA PHE A 71 0.360 -4.568 7.391 1.00 50.13 H new ATOM 0 HB2 PHE A 71 1.644 -6.663 5.591 1.00 2.25 H new ATOM 0 HB3 PHE A 71 0.034 -6.846 6.259 1.00 2.25 H new ATOM 0 HD1 PHE A 71 2.024 -4.242 4.380 1.00 63.21 H new ATOM 0 HD2 PHE A 71 -1.761 -6.134 4.928 1.00 74.43 H new ATOM 0 HE1 PHE A 71 1.077 -2.896 2.567 1.00 71.11 H new ATOM 0 HE2 PHE A 71 -2.689 -4.792 3.104 1.00 11.25 H new ATOM 0 HZ PHE A 71 -1.277 -3.156 1.937 1.00 61.12 H new ATOM 1194 N GLU A 72 0.492 -5.989 9.389 1.00 14.33 N ATOM 1195 CA GLU A 72 0.583 -6.604 10.736 1.00 1.14 C ATOM 1196 C GLU A 72 0.905 -8.120 10.707 1.00 53.23 C ATOM 1197 O GLU A 72 1.691 -8.604 11.525 1.00 2.44 O ATOM 1198 CB GLU A 72 -0.751 -6.360 11.494 1.00 14.11 C ATOM 1199 CG GLU A 72 -1.993 -6.922 10.759 1.00 63.51 C ATOM 1200 CD GLU A 72 -3.332 -6.783 11.494 1.00 71.45 C ATOM 1201 OE1 GLU A 72 -3.381 -6.248 12.619 1.00 15.35 O ATOM 1202 OE2 GLU A 72 -4.355 -7.242 10.942 1.00 13.42 O ATOM 0 H GLU A 72 -0.361 -5.443 9.264 1.00 14.33 H new ATOM 0 HA GLU A 72 1.418 -6.128 11.250 1.00 1.14 H new ATOM 0 HB2 GLU A 72 -0.687 -6.816 12.482 1.00 14.11 H new ATOM 0 HB3 GLU A 72 -0.883 -5.289 11.645 1.00 14.11 H new ATOM 0 HG2 GLU A 72 -2.077 -6.421 9.795 1.00 63.51 H new ATOM 0 HG3 GLU A 72 -1.822 -7.979 10.555 1.00 63.51 H new ATOM 1209 N LYS A 73 0.328 -8.835 9.730 1.00 53.21 N ATOM 1210 CA LYS A 73 0.430 -10.298 9.634 1.00 62.15 C ATOM 1211 C LYS A 73 1.816 -10.736 9.125 1.00 33.34 C ATOM 1212 O LYS A 73 2.246 -11.856 9.406 1.00 42.00 O ATOM 1213 CB LYS A 73 -0.704 -10.855 8.736 1.00 13.50 C ATOM 1214 CG LYS A 73 -2.132 -10.541 9.247 1.00 22.23 C ATOM 1215 CD LYS A 73 -2.348 -10.992 10.712 1.00 14.21 C ATOM 1216 CE LYS A 73 -3.764 -10.700 11.228 1.00 24.12 C ATOM 1217 NZ LYS A 73 -4.805 -11.463 10.494 1.00 31.14 N ATOM 0 H LYS A 73 -0.224 -8.414 8.983 1.00 53.21 H new ATOM 0 HA LYS A 73 0.313 -10.715 10.634 1.00 62.15 H new ATOM 0 HB2 LYS A 73 -0.591 -10.445 7.732 1.00 13.50 H new ATOM 0 HB3 LYS A 73 -0.589 -11.936 8.654 1.00 13.50 H new ATOM 0 HG2 LYS A 73 -2.315 -9.469 9.169 1.00 22.23 H new ATOM 0 HG3 LYS A 73 -2.861 -11.036 8.606 1.00 22.23 H new ATOM 0 HD2 LYS A 73 -2.153 -12.062 10.789 1.00 14.21 H new ATOM 0 HD3 LYS A 73 -1.623 -10.488 11.352 1.00 14.21 H new ATOM 0 HE2 LYS A 73 -3.818 -10.945 12.289 1.00 24.12 H new ATOM 0 HE3 LYS A 73 -3.968 -9.633 11.137 1.00 24.12 H new ATOM 0 HZ1 LYS A 73 -5.733 -11.296 10.934 1.00 31.14 H new ATOM 0 HZ2 LYS A 73 -4.831 -11.150 9.503 1.00 31.14 H new ATOM 0 HZ3 LYS A 73 -4.582 -12.478 10.531 1.00 31.14 H new ATOM 1231 N GLY A 74 2.496 -9.840 8.383 1.00 41.24 N ATOM 1232 CA GLY A 74 3.882 -10.073 7.944 1.00 34.53 C ATOM 1233 C GLY A 74 4.053 -11.253 7.003 1.00 52.43 C ATOM 1234 O GLY A 74 5.152 -11.821 6.900 1.00 64.20 O ATOM 0 H GLY A 74 2.106 -8.949 8.076 1.00 41.24 H new ATOM 0 HA2 GLY A 74 4.250 -9.174 7.450 1.00 34.53 H new ATOM 0 HA3 GLY A 74 4.507 -10.232 8.823 1.00 34.53 H new ATOM 1238 N LEU A 75 2.970 -11.603 6.292 1.00 33.34 N ATOM 1239 CA LEU A 75 2.934 -12.775 5.415 1.00 31.41 C ATOM 1240 C LEU A 75 3.462 -12.419 4.013 1.00 15.31 C ATOM 1241 O LEU A 75 3.111 -11.362 3.468 1.00 41.14 O ATOM 1242 CB LEU A 75 1.497 -13.356 5.345 1.00 4.21 C ATOM 1243 CG LEU A 75 0.948 -13.934 6.682 1.00 24.51 C ATOM 1244 CD1 LEU A 75 -0.485 -14.487 6.511 1.00 12.25 C ATOM 1245 CD2 LEU A 75 1.915 -15.001 7.249 1.00 61.02 C ATOM 0 H LEU A 75 2.096 -11.078 6.312 1.00 33.34 H new ATOM 0 HA LEU A 75 3.586 -13.542 5.832 1.00 31.41 H new ATOM 0 HB2 LEU A 75 0.822 -12.572 5.003 1.00 4.21 H new ATOM 0 HB3 LEU A 75 1.478 -14.144 4.592 1.00 4.21 H new ATOM 0 HG LEU A 75 0.888 -13.122 7.407 1.00 24.51 H new ATOM 0 HD11 LEU A 75 -0.838 -14.883 7.463 1.00 12.25 H new ATOM 0 HD12 LEU A 75 -1.147 -13.686 6.183 1.00 12.25 H new ATOM 0 HD13 LEU A 75 -0.481 -15.283 5.766 1.00 12.25 H new ATOM 0 HD21 LEU A 75 1.515 -15.394 8.184 1.00 61.02 H new ATOM 0 HD22 LEU A 75 2.023 -15.813 6.530 1.00 61.02 H new ATOM 0 HD23 LEU A 75 2.889 -14.548 7.433 1.00 61.02 H new ATOM 1257 N PRO A 76 4.319 -13.298 3.411 1.00 33.45 N ATOM 1258 CA PRO A 76 4.923 -13.070 2.076 1.00 63.10 C ATOM 1259 C PRO A 76 3.884 -13.201 0.937 1.00 30.42 C ATOM 1260 O PRO A 76 2.725 -13.587 1.166 1.00 5.31 O ATOM 1261 CB PRO A 76 6.035 -14.169 1.992 1.00 10.41 C ATOM 1262 CG PRO A 76 6.138 -14.740 3.382 1.00 11.20 C ATOM 1263 CD PRO A 76 4.768 -14.599 3.972 1.00 62.22 C ATOM 0 HA PRO A 76 5.318 -12.061 1.957 1.00 63.10 H new ATOM 0 HB2 PRO A 76 5.771 -14.941 1.269 1.00 10.41 H new ATOM 0 HB3 PRO A 76 6.985 -13.743 1.671 1.00 10.41 H new ATOM 0 HG2 PRO A 76 6.449 -15.784 3.356 1.00 11.20 H new ATOM 0 HG3 PRO A 76 6.878 -14.202 3.974 1.00 11.20 H new ATOM 0 HD2 PRO A 76 4.111 -15.418 3.678 1.00 62.22 H new ATOM 0 HD3 PRO A 76 4.793 -14.586 5.062 1.00 62.22 H new ATOM 1271 N GLY A 77 4.315 -12.896 -0.289 1.00 23.40 N ATOM 1272 CA GLY A 77 3.423 -12.893 -1.436 1.00 52.25 C ATOM 1273 C GLY A 77 4.165 -13.029 -2.749 1.00 65.43 C ATOM 1274 O GLY A 77 4.010 -14.044 -3.442 1.00 72.04 O ATOM 0 H GLY A 77 5.280 -12.648 -0.507 1.00 23.40 H new ATOM 0 HA2 GLY A 77 2.710 -13.711 -1.339 1.00 52.25 H new ATOM 0 HA3 GLY A 77 2.847 -11.967 -1.442 1.00 52.25 H new ATOM 1278 N GLN A 78 4.976 -12.000 -3.084 1.00 4.20 N ATOM 1279 CA GLN A 78 5.701 -11.899 -4.382 1.00 32.04 C ATOM 1280 C GLN A 78 4.689 -11.879 -5.565 1.00 13.30 C ATOM 1281 O GLN A 78 4.960 -12.306 -6.689 1.00 33.43 O ATOM 1282 CB GLN A 78 6.771 -13.034 -4.489 1.00 44.13 C ATOM 1283 CG GLN A 78 7.775 -12.887 -5.649 1.00 74.02 C ATOM 1284 CD GLN A 78 8.799 -14.020 -5.706 1.00 2.32 C ATOM 1285 OE1 GLN A 78 9.884 -13.935 -5.127 1.00 72.45 O ATOM 1286 NE2 GLN A 78 8.436 -15.104 -6.364 1.00 33.15 N ATOM 0 H GLN A 78 5.150 -11.210 -2.462 1.00 4.20 H new ATOM 0 HA GLN A 78 6.247 -10.957 -4.434 1.00 32.04 H new ATOM 0 HB2 GLN A 78 7.327 -13.076 -3.552 1.00 44.13 H new ATOM 0 HB3 GLN A 78 6.255 -13.988 -4.596 1.00 44.13 H new ATOM 0 HG2 GLN A 78 7.229 -12.852 -6.592 1.00 74.02 H new ATOM 0 HG3 GLN A 78 8.299 -11.937 -5.549 1.00 74.02 H new ATOM 0 HE21 GLN A 78 7.530 -15.138 -6.831 1.00 33.15 H new ATOM 0 HE22 GLN A 78 9.061 -15.909 -6.406 1.00 33.15 H new ATOM 1295 N ALA A 79 3.518 -11.300 -5.273 1.00 61.54 N ATOM 1296 CA ALA A 79 2.388 -11.150 -6.214 1.00 23.11 C ATOM 1297 C ALA A 79 2.505 -9.831 -7.032 1.00 33.12 C ATOM 1298 O ALA A 79 1.494 -9.222 -7.368 1.00 14.35 O ATOM 1299 CB ALA A 79 1.070 -11.232 -5.420 1.00 23.14 C ATOM 0 H ALA A 79 3.319 -10.910 -4.352 1.00 61.54 H new ATOM 0 HA ALA A 79 2.406 -11.958 -6.945 1.00 23.11 H new ATOM 0 HB1 ALA A 79 0.227 -11.123 -6.102 1.00 23.14 H new ATOM 0 HB2 ALA A 79 1.007 -12.197 -4.917 1.00 23.14 H new ATOM 0 HB3 ALA A 79 1.042 -10.434 -4.678 1.00 23.14 H new ATOM 1305 N LEU A 80 3.767 -9.406 -7.297 1.00 23.21 N ATOM 1306 CA LEU A 80 4.147 -8.135 -7.996 1.00 0.34 C ATOM 1307 C LEU A 80 3.174 -7.719 -9.136 1.00 1.43 C ATOM 1308 O LEU A 80 3.096 -8.386 -10.175 1.00 63.32 O ATOM 1309 CB LEU A 80 5.580 -8.295 -8.580 1.00 32.21 C ATOM 1310 CG LEU A 80 6.737 -8.507 -7.559 1.00 74.42 C ATOM 1311 CD1 LEU A 80 8.083 -8.764 -8.271 1.00 12.44 C ATOM 1312 CD2 LEU A 80 6.850 -7.302 -6.621 1.00 22.23 C ATOM 0 H LEU A 80 4.583 -9.953 -7.023 1.00 23.21 H new ATOM 0 HA LEU A 80 4.098 -7.342 -7.250 1.00 0.34 H new ATOM 0 HB2 LEU A 80 5.574 -9.142 -9.267 1.00 32.21 H new ATOM 0 HB3 LEU A 80 5.807 -7.407 -9.170 1.00 32.21 H new ATOM 0 HG LEU A 80 6.500 -9.392 -6.969 1.00 74.42 H new ATOM 0 HD11 LEU A 80 8.867 -8.907 -7.527 1.00 12.44 H new ATOM 0 HD12 LEU A 80 8.002 -9.658 -8.890 1.00 12.44 H new ATOM 0 HD13 LEU A 80 8.331 -7.909 -8.899 1.00 12.44 H new ATOM 0 HD21 LEU A 80 7.663 -7.466 -5.914 1.00 22.23 H new ATOM 0 HD22 LEU A 80 7.053 -6.404 -7.205 1.00 22.23 H new ATOM 0 HD23 LEU A 80 5.915 -7.177 -6.076 1.00 22.23 H new ATOM 1324 N GLY A 81 2.433 -6.615 -8.905 1.00 10.15 N ATOM 1325 CA GLY A 81 1.411 -6.124 -9.838 1.00 2.11 C ATOM 1326 C GLY A 81 -0.005 -6.243 -9.290 1.00 54.34 C ATOM 1327 O GLY A 81 -0.964 -5.789 -9.943 1.00 40.14 O ATOM 0 H GLY A 81 2.530 -6.043 -8.066 1.00 10.15 H new ATOM 0 HA2 GLY A 81 1.616 -5.080 -10.075 1.00 2.11 H new ATOM 0 HA3 GLY A 81 1.481 -6.683 -10.771 1.00 2.11 H new ATOM 1331 N ASP A 82 -0.138 -6.852 -8.088 1.00 2.11 N ATOM 1332 CA ASP A 82 -1.445 -7.096 -7.441 1.00 34.01 C ATOM 1333 C ASP A 82 -2.047 -5.801 -6.876 1.00 3.25 C ATOM 1334 O ASP A 82 -1.331 -4.829 -6.631 1.00 22.34 O ATOM 1335 CB ASP A 82 -1.325 -8.176 -6.326 1.00 53.15 C ATOM 1336 CG ASP A 82 -2.685 -8.748 -5.883 1.00 54.02 C ATOM 1337 OD1 ASP A 82 -3.442 -9.212 -6.762 1.00 21.42 O ATOM 1338 OD2 ASP A 82 -3.011 -8.743 -4.679 1.00 32.12 O ATOM 0 H ASP A 82 0.656 -7.186 -7.543 1.00 2.11 H new ATOM 0 HA ASP A 82 -2.121 -7.470 -8.210 1.00 34.01 H new ATOM 0 HB2 ASP A 82 -0.696 -8.990 -6.685 1.00 53.15 H new ATOM 0 HB3 ASP A 82 -0.822 -7.742 -5.462 1.00 53.15 H new ATOM 1343 N TYR A 83 -3.372 -5.794 -6.689 1.00 54.44 N ATOM 1344 CA TYR A 83 -4.117 -4.585 -6.306 1.00 51.14 C ATOM 1345 C TYR A 83 -4.476 -4.575 -4.809 1.00 64.13 C ATOM 1346 O TYR A 83 -4.830 -5.610 -4.225 1.00 12.10 O ATOM 1347 CB TYR A 83 -5.390 -4.454 -7.172 1.00 31.42 C ATOM 1348 CG TYR A 83 -5.103 -4.261 -8.674 1.00 73.04 C ATOM 1349 CD1 TYR A 83 -4.933 -5.359 -9.529 1.00 44.31 C ATOM 1350 CD2 TYR A 83 -4.998 -2.984 -9.237 1.00 3.53 C ATOM 1351 CE1 TYR A 83 -4.667 -5.187 -10.876 1.00 32.04 C ATOM 1352 CE2 TYR A 83 -4.735 -2.812 -10.586 1.00 4.55 C ATOM 1353 CZ TYR A 83 -4.576 -3.913 -11.398 1.00 3.03 C ATOM 1354 OH TYR A 83 -4.307 -3.735 -12.741 1.00 1.50 O ATOM 0 H TYR A 83 -3.958 -6.622 -6.798 1.00 54.44 H new ATOM 0 HA TYR A 83 -3.470 -3.726 -6.484 1.00 51.14 H new ATOM 0 HB2 TYR A 83 -6.001 -5.347 -7.040 1.00 31.42 H new ATOM 0 HB3 TYR A 83 -5.978 -3.609 -6.812 1.00 31.42 H new ATOM 0 HD1 TYR A 83 -5.011 -6.359 -9.128 1.00 44.31 H new ATOM 0 HD2 TYR A 83 -5.125 -2.116 -8.607 1.00 3.53 H new ATOM 0 HE1 TYR A 83 -4.531 -6.046 -11.516 1.00 32.04 H new ATOM 0 HE2 TYR A 83 -4.655 -1.818 -11.000 1.00 4.55 H new ATOM 0 HH TYR A 83 -4.278 -2.777 -12.945 1.00 1.50 H new ATOM 1364 N VAL A 84 -4.385 -3.377 -4.210 1.00 44.34 N ATOM 1365 CA VAL A 84 -4.759 -3.121 -2.805 1.00 45.42 C ATOM 1366 C VAL A 84 -5.940 -2.136 -2.737 1.00 64.31 C ATOM 1367 O VAL A 84 -6.268 -1.471 -3.737 1.00 44.11 O ATOM 1368 CB VAL A 84 -3.560 -2.517 -1.985 1.00 15.10 C ATOM 1369 CG1 VAL A 84 -2.337 -3.448 -1.985 1.00 73.23 C ATOM 1370 CG2 VAL A 84 -3.178 -1.106 -2.491 1.00 40.54 C ATOM 0 H VAL A 84 -4.045 -2.545 -4.693 1.00 44.34 H new ATOM 0 HA VAL A 84 -5.039 -4.080 -2.369 1.00 45.42 H new ATOM 0 HB VAL A 84 -3.901 -2.423 -0.954 1.00 15.10 H new ATOM 0 HG11 VAL A 84 -1.533 -2.992 -1.408 1.00 73.23 H new ATOM 0 HG12 VAL A 84 -2.608 -4.404 -1.538 1.00 73.23 H new ATOM 0 HG13 VAL A 84 -2.002 -3.609 -3.010 1.00 73.23 H new ATOM 0 HG21 VAL A 84 -2.346 -0.721 -1.901 1.00 40.54 H new ATOM 0 HG22 VAL A 84 -2.884 -1.163 -3.539 1.00 40.54 H new ATOM 0 HG23 VAL A 84 -4.034 -0.439 -2.390 1.00 40.54 H new ATOM 1380 N GLU A 85 -6.565 -2.025 -1.549 1.00 50.32 N ATOM 1381 CA GLU A 85 -7.574 -0.988 -1.266 1.00 55.41 C ATOM 1382 C GLU A 85 -7.208 -0.257 0.039 1.00 4.52 C ATOM 1383 O GLU A 85 -7.315 -0.822 1.131 1.00 74.01 O ATOM 1384 CB GLU A 85 -9.003 -1.603 -1.187 1.00 53.35 C ATOM 1385 CG GLU A 85 -9.450 -2.320 -2.483 1.00 60.02 C ATOM 1386 CD GLU A 85 -10.932 -2.716 -2.489 1.00 42.23 C ATOM 1387 OE1 GLU A 85 -11.273 -3.795 -1.968 1.00 1.12 O ATOM 1388 OE2 GLU A 85 -11.763 -1.936 -3.014 1.00 34.12 O ATOM 0 H GLU A 85 -6.385 -2.649 -0.762 1.00 50.32 H new ATOM 0 HA GLU A 85 -7.579 -0.267 -2.083 1.00 55.41 H new ATOM 0 HB2 GLU A 85 -9.037 -2.313 -0.361 1.00 53.35 H new ATOM 0 HB3 GLU A 85 -9.716 -0.812 -0.957 1.00 53.35 H new ATOM 0 HG2 GLU A 85 -9.254 -1.668 -3.334 1.00 60.02 H new ATOM 0 HG3 GLU A 85 -8.843 -3.215 -2.620 1.00 60.02 H new ATOM 1395 N ILE A 86 -6.780 1.003 -0.096 1.00 41.33 N ATOM 1396 CA ILE A 86 -6.387 1.860 1.017 1.00 53.30 C ATOM 1397 C ILE A 86 -7.641 2.488 1.643 1.00 5.40 C ATOM 1398 O ILE A 86 -8.199 3.455 1.111 1.00 33.25 O ATOM 1399 CB ILE A 86 -5.404 2.989 0.526 1.00 73.34 C ATOM 1400 CG1 ILE A 86 -4.177 2.369 -0.215 1.00 52.04 C ATOM 1401 CG2 ILE A 86 -4.949 3.884 1.702 1.00 34.31 C ATOM 1402 CD1 ILE A 86 -3.234 3.377 -0.846 1.00 3.34 C ATOM 0 H ILE A 86 -6.697 1.461 -1.004 1.00 41.33 H new ATOM 0 HA ILE A 86 -5.870 1.258 1.764 1.00 53.30 H new ATOM 0 HB ILE A 86 -5.943 3.621 -0.180 1.00 73.34 H new ATOM 0 HG12 ILE A 86 -3.614 1.760 0.492 1.00 52.04 H new ATOM 0 HG13 ILE A 86 -4.542 1.698 -0.993 1.00 52.04 H new ATOM 0 HG21 ILE A 86 -4.272 4.654 1.332 1.00 34.31 H new ATOM 0 HG22 ILE A 86 -5.819 4.355 2.158 1.00 34.31 H new ATOM 0 HG23 ILE A 86 -4.435 3.275 2.445 1.00 34.31 H new ATOM 0 HD11 ILE A 86 -2.415 2.851 -1.336 1.00 3.34 H new ATOM 0 HD12 ILE A 86 -3.776 3.971 -1.582 1.00 3.34 H new ATOM 0 HD13 ILE A 86 -2.833 4.034 -0.074 1.00 3.34 H new ATOM 1414 N VAL A 87 -8.088 1.916 2.753 1.00 20.03 N ATOM 1415 CA VAL A 87 -9.242 2.409 3.493 1.00 71.11 C ATOM 1416 C VAL A 87 -8.858 3.709 4.215 1.00 20.04 C ATOM 1417 O VAL A 87 -7.922 3.718 5.047 1.00 62.01 O ATOM 1418 CB VAL A 87 -9.736 1.335 4.525 1.00 60.10 C ATOM 1419 CG1 VAL A 87 -10.904 1.860 5.383 1.00 2.04 C ATOM 1420 CG2 VAL A 87 -10.116 0.022 3.805 1.00 31.13 C ATOM 0 H VAL A 87 -7.657 1.090 3.168 1.00 20.03 H new ATOM 0 HA VAL A 87 -10.058 2.607 2.798 1.00 71.11 H new ATOM 0 HB VAL A 87 -8.910 1.125 5.205 1.00 60.10 H new ATOM 0 HG11 VAL A 87 -11.217 1.086 6.084 1.00 2.04 H new ATOM 0 HG12 VAL A 87 -10.581 2.742 5.936 1.00 2.04 H new ATOM 0 HG13 VAL A 87 -11.741 2.123 4.736 1.00 2.04 H new ATOM 0 HG21 VAL A 87 -10.456 -0.710 4.538 1.00 31.13 H new ATOM 0 HG22 VAL A 87 -10.915 0.217 3.090 1.00 31.13 H new ATOM 0 HG23 VAL A 87 -9.246 -0.369 3.279 1.00 31.13 H new ATOM 1430 N LEU A 88 -9.546 4.807 3.836 1.00 10.53 N ATOM 1431 CA LEU A 88 -9.445 6.110 4.496 1.00 3.11 C ATOM 1432 C LEU A 88 -9.955 5.935 5.938 1.00 54.11 C ATOM 1433 O LEU A 88 -11.152 6.044 6.216 1.00 53.11 O ATOM 1434 CB LEU A 88 -10.259 7.170 3.682 1.00 64.13 C ATOM 1435 CG LEU A 88 -10.013 8.700 3.970 1.00 0.20 C ATOM 1436 CD1 LEU A 88 -10.611 9.177 5.315 1.00 32.43 C ATOM 1437 CD2 LEU A 88 -8.512 9.054 3.874 1.00 2.11 C ATOM 0 H LEU A 88 -10.195 4.805 3.049 1.00 10.53 H new ATOM 0 HA LEU A 88 -8.418 6.474 4.534 1.00 3.11 H new ATOM 0 HB2 LEU A 88 -10.061 6.997 2.624 1.00 64.13 H new ATOM 0 HB3 LEU A 88 -11.318 6.969 3.845 1.00 64.13 H new ATOM 0 HG LEU A 88 -10.549 9.241 3.190 1.00 0.20 H new ATOM 0 HD11 LEU A 88 -10.405 10.239 5.449 1.00 32.43 H new ATOM 0 HD12 LEU A 88 -11.689 9.014 5.312 1.00 32.43 H new ATOM 0 HD13 LEU A 88 -10.161 8.614 6.133 1.00 32.43 H new ATOM 0 HD21 LEU A 88 -8.375 10.116 4.078 1.00 2.11 H new ATOM 0 HD22 LEU A 88 -7.953 8.469 4.604 1.00 2.11 H new ATOM 0 HD23 LEU A 88 -8.148 8.827 2.872 1.00 2.11 H new