USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 48 GLN : amide:sc= -0.997 X(o=-1,f=-0.8) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -53:sc= 0.00268 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.0489 X(o=-0.049,f=-0.049) USER MOD Single : A 25 ASN :FLIP amide:sc= -0.222 F(o=-1.5,f=-0.22) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -167:sc= 0.178 (180deg=0.162) USER MOD Single : A 34 ASN : amide:sc= 0.233 X(o=0.23,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 91:sc= 1.12 USER MOD Single : A 47 LYS NZ :NH3+ 159:sc= -0.345 (180deg=-1.07) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 3.103 -0.308 -2.179 1.00 4.01 N ATOM 19 CA ALA A 2 4.519 -0.649 -2.248 1.00 51.04 C ATOM 20 C ALA A 2 5.391 0.553 -1.900 1.00 32.53 C ATOM 21 O ALA A 2 5.377 1.565 -2.598 1.00 45.13 O ATOM 22 CB ALA A 2 4.868 -1.173 -3.634 1.00 1.25 C ATOM 0 HA ALA A 2 4.715 -1.431 -1.515 1.00 51.04 H new ATOM 0 HB1 ALA A 2 5.928 -1.424 -3.672 1.00 1.25 H new ATOM 0 HB2 ALA A 2 4.277 -2.064 -3.846 1.00 1.25 H new ATOM 0 HB3 ALA A 2 4.650 -0.407 -4.378 1.00 1.25 H new ATOM 28 N GLY A 3 6.148 0.433 -0.813 1.00 42.24 N ATOM 29 CA GLY A 3 7.015 1.518 -0.391 1.00 21.52 C ATOM 30 C GLY A 3 8.480 1.221 -0.644 1.00 30.13 C ATOM 31 O GLY A 3 9.308 2.131 -0.678 1.00 43.22 O ATOM 0 H GLY A 3 6.176 -0.395 -0.218 1.00 42.24 H new ATOM 0 HA2 GLY A 3 6.735 2.429 -0.920 1.00 21.52 H new ATOM 0 HA3 GLY A 3 6.864 1.707 0.672 1.00 21.52 H new ATOM 35 N PHE A 4 8.802 -0.056 -0.820 1.00 34.43 N ATOM 36 CA PHE A 4 10.177 -0.471 -1.068 1.00 64.21 C ATOM 37 C PHE A 4 10.778 0.308 -2.235 1.00 21.24 C ATOM 38 O PHE A 4 11.775 1.014 -2.077 1.00 12.22 O ATOM 39 CB PHE A 4 10.235 -1.972 -1.359 1.00 23.22 C ATOM 40 CG PHE A 4 11.581 -2.439 -1.834 1.00 64.22 C ATOM 41 CD1 PHE A 4 12.560 -2.812 -0.927 1.00 42.12 C ATOM 42 CD2 PHE A 4 11.868 -2.505 -3.188 1.00 41.13 C ATOM 43 CE1 PHE A 4 13.800 -3.242 -1.361 1.00 71.43 C ATOM 44 CE2 PHE A 4 13.106 -2.935 -3.628 1.00 74.12 C ATOM 45 CZ PHE A 4 14.073 -3.303 -2.714 1.00 21.03 C ATOM 0 H PHE A 4 8.129 -0.822 -0.795 1.00 34.43 H new ATOM 0 HA PHE A 4 10.761 -0.259 -0.173 1.00 64.21 H new ATOM 0 HB2 PHE A 4 9.967 -2.520 -0.455 1.00 23.22 H new ATOM 0 HB3 PHE A 4 9.487 -2.217 -2.113 1.00 23.22 H new ATOM 0 HD1 PHE A 4 12.352 -2.766 0.132 1.00 42.12 H new ATOM 0 HD2 PHE A 4 11.116 -2.217 -3.908 1.00 41.13 H new ATOM 0 HE1 PHE A 4 14.554 -3.530 -0.644 1.00 71.43 H new ATOM 0 HE2 PHE A 4 13.317 -2.983 -4.686 1.00 74.12 H new ATOM 0 HZ PHE A 4 15.041 -3.638 -3.056 1.00 21.03 H new ATOM 55 N LEU A 5 10.165 0.174 -3.406 1.00 24.44 N ATOM 56 CA LEU A 5 10.639 0.864 -4.600 1.00 71.14 C ATOM 57 C LEU A 5 10.718 2.369 -4.364 1.00 64.33 C ATOM 58 O LEU A 5 11.487 3.072 -5.021 1.00 31.41 O ATOM 59 CB LEU A 5 9.715 0.570 -5.783 1.00 74.22 C ATOM 60 CG LEU A 5 9.916 -0.780 -6.473 1.00 32.01 C ATOM 61 CD1 LEU A 5 8.575 -1.435 -6.766 1.00 11.04 C ATOM 62 CD2 LEU A 5 10.719 -0.610 -7.754 1.00 4.21 C ATOM 0 H LEU A 5 9.339 -0.406 -3.554 1.00 24.44 H new ATOM 0 HA LEU A 5 11.640 0.498 -4.828 1.00 71.14 H new ATOM 0 HB2 LEU A 5 8.683 0.628 -5.436 1.00 74.22 H new ATOM 0 HB3 LEU A 5 9.846 1.358 -6.525 1.00 74.22 H new ATOM 0 HG LEU A 5 10.476 -1.430 -5.800 1.00 32.01 H new ATOM 0 HD11 LEU A 5 8.738 -2.394 -7.257 1.00 11.04 H new ATOM 0 HD12 LEU A 5 8.035 -1.592 -5.832 1.00 11.04 H new ATOM 0 HD13 LEU A 5 7.989 -0.788 -7.419 1.00 11.04 H new ATOM 0 HD21 LEU A 5 10.852 -1.581 -8.231 1.00 4.21 H new ATOM 0 HD22 LEU A 5 10.186 0.058 -8.431 1.00 4.21 H new ATOM 0 HD23 LEU A 5 11.695 -0.185 -7.518 1.00 4.21 H new ATOM 74 N LYS A 6 9.920 2.857 -3.421 1.00 4.31 N ATOM 75 CA LYS A 6 9.902 4.278 -3.094 1.00 52.22 C ATOM 76 C LYS A 6 11.112 4.658 -2.247 1.00 20.52 C ATOM 77 O LYS A 6 11.801 5.637 -2.533 1.00 74.02 O ATOM 78 CB LYS A 6 8.613 4.635 -2.350 1.00 71.41 C ATOM 79 CG LYS A 6 7.365 4.035 -2.974 1.00 54.00 C ATOM 80 CD LYS A 6 7.175 4.507 -4.406 1.00 10.32 C ATOM 81 CE LYS A 6 6.034 3.770 -5.089 1.00 71.35 C ATOM 82 NZ LYS A 6 5.485 4.541 -6.239 1.00 15.13 N ATOM 0 H LYS A 6 9.277 2.289 -2.869 1.00 4.31 H new ATOM 0 HA LYS A 6 9.944 4.840 -4.027 1.00 52.22 H new ATOM 0 HB2 LYS A 6 8.693 4.294 -1.318 1.00 71.41 H new ATOM 0 HB3 LYS A 6 8.509 5.720 -2.320 1.00 71.41 H new ATOM 0 HG2 LYS A 6 7.434 2.947 -2.955 1.00 54.00 H new ATOM 0 HG3 LYS A 6 6.493 4.309 -2.381 1.00 54.00 H new ATOM 0 HD2 LYS A 6 6.974 5.578 -4.413 1.00 10.32 H new ATOM 0 HD3 LYS A 6 8.097 4.352 -4.967 1.00 10.32 H new ATOM 0 HE2 LYS A 6 6.386 2.799 -5.438 1.00 71.35 H new ATOM 0 HE3 LYS A 6 5.240 3.581 -4.367 1.00 71.35 H new ATOM 0 HZ1 LYS A 6 4.709 4.005 -6.678 1.00 15.13 H new ATOM 0 HZ2 LYS A 6 5.126 5.457 -5.903 1.00 15.13 H new ATOM 0 HZ3 LYS A 6 6.236 4.700 -6.941 1.00 15.13 H new ATOM 96 N VAL A 7 11.367 3.875 -1.203 1.00 33.11 N ATOM 97 CA VAL A 7 12.496 4.127 -0.315 1.00 54.44 C ATOM 98 C VAL A 7 13.818 3.815 -1.006 1.00 62.21 C ATOM 99 O VAL A 7 14.853 4.397 -0.682 1.00 23.03 O ATOM 100 CB VAL A 7 12.393 3.293 0.975 1.00 71.51 C ATOM 101 CG1 VAL A 7 11.187 3.724 1.796 1.00 44.31 C ATOM 102 CG2 VAL A 7 12.320 1.809 0.645 1.00 50.32 C ATOM 0 H VAL A 7 10.807 3.061 -0.952 1.00 33.11 H new ATOM 0 HA VAL A 7 12.466 5.185 -0.057 1.00 54.44 H new ATOM 0 HB VAL A 7 13.289 3.467 1.571 1.00 71.51 H new ATOM 0 HG11 VAL A 7 11.131 3.123 2.704 1.00 44.31 H new ATOM 0 HG12 VAL A 7 11.286 4.776 2.063 1.00 44.31 H new ATOM 0 HG13 VAL A 7 10.279 3.582 1.210 1.00 44.31 H new ATOM 0 HG21 VAL A 7 12.248 1.234 1.568 1.00 50.32 H new ATOM 0 HG22 VAL A 7 11.443 1.616 0.028 1.00 50.32 H new ATOM 0 HG23 VAL A 7 13.218 1.512 0.102 1.00 50.32 H new ATOM 112 N VAL A 8 13.777 2.891 -1.961 1.00 51.44 N ATOM 113 CA VAL A 8 14.972 2.502 -2.700 1.00 60.32 C ATOM 114 C VAL A 8 15.346 3.556 -3.736 1.00 0.12 C ATOM 115 O VAL A 8 16.502 3.655 -4.145 1.00 25.30 O ATOM 116 CB VAL A 8 14.777 1.148 -3.409 1.00 3.11 C ATOM 117 CG1 VAL A 8 16.002 0.800 -4.241 1.00 51.02 C ATOM 118 CG2 VAL A 8 14.483 0.053 -2.394 1.00 42.53 C ATOM 0 H VAL A 8 12.929 2.398 -2.241 1.00 51.44 H new ATOM 0 HA VAL A 8 15.778 2.411 -1.972 1.00 60.32 H new ATOM 0 HB VAL A 8 13.922 1.229 -4.080 1.00 3.11 H new ATOM 0 HG11 VAL A 8 15.846 -0.159 -4.734 1.00 51.02 H new ATOM 0 HG12 VAL A 8 16.163 1.573 -4.993 1.00 51.02 H new ATOM 0 HG13 VAL A 8 16.876 0.737 -3.593 1.00 51.02 H new ATOM 0 HG21 VAL A 8 14.348 -0.897 -2.912 1.00 42.53 H new ATOM 0 HG22 VAL A 8 15.316 -0.030 -1.696 1.00 42.53 H new ATOM 0 HG23 VAL A 8 13.574 0.300 -1.846 1.00 42.53 H new ATOM 128 N GLN A 9 14.360 4.342 -4.155 1.00 14.11 N ATOM 129 CA GLN A 9 14.586 5.390 -5.144 1.00 33.35 C ATOM 130 C GLN A 9 15.587 6.418 -4.628 1.00 23.21 C ATOM 131 O GLN A 9 16.418 6.924 -5.383 1.00 51.24 O ATOM 132 CB GLN A 9 13.267 6.078 -5.499 1.00 11.44 C ATOM 133 CG GLN A 9 12.595 5.505 -6.735 1.00 74.34 C ATOM 134 CD GLN A 9 12.046 6.579 -7.653 1.00 41.42 C ATOM 135 OE1 GLN A 9 10.861 6.908 -7.604 1.00 14.41 O ATOM 136 NE2 GLN A 9 12.908 7.134 -8.498 1.00 21.43 N ATOM 0 H GLN A 9 13.397 4.273 -3.825 1.00 14.11 H new ATOM 0 HA GLN A 9 14.998 4.927 -6.040 1.00 33.35 H new ATOM 0 HB2 GLN A 9 12.584 5.995 -4.653 1.00 11.44 H new ATOM 0 HB3 GLN A 9 13.452 7.141 -5.656 1.00 11.44 H new ATOM 0 HG2 GLN A 9 13.313 4.895 -7.284 1.00 74.34 H new ATOM 0 HG3 GLN A 9 11.784 4.844 -6.429 1.00 74.34 H new ATOM 0 HE21 GLN A 9 13.882 6.831 -8.505 1.00 21.43 H new ATOM 0 HE22 GLN A 9 12.596 7.863 -9.140 1.00 21.43 H new ATOM 145 N LEU A 10 15.503 6.723 -3.338 1.00 23.54 N ATOM 146 CA LEU A 10 16.402 7.691 -2.720 1.00 44.32 C ATOM 147 C LEU A 10 17.839 7.178 -2.720 1.00 52.12 C ATOM 148 O LEU A 10 18.789 7.961 -2.732 1.00 4.54 O ATOM 149 CB LEU A 10 15.956 7.991 -1.288 1.00 72.41 C ATOM 150 CG LEU A 10 14.821 9.005 -1.137 1.00 23.41 C ATOM 151 CD1 LEU A 10 15.222 10.346 -1.730 1.00 40.34 C ATOM 152 CD2 LEU A 10 13.551 8.486 -1.795 1.00 42.14 C ATOM 0 H LEU A 10 14.821 6.314 -2.699 1.00 23.54 H new ATOM 0 HA LEU A 10 16.363 8.610 -3.306 1.00 44.32 H new ATOM 0 HB2 LEU A 10 15.645 7.056 -0.822 1.00 72.41 H new ATOM 0 HB3 LEU A 10 16.818 8.355 -0.729 1.00 72.41 H new ATOM 0 HG LEU A 10 14.623 9.146 -0.074 1.00 23.41 H new ATOM 0 HD11 LEU A 10 14.402 11.055 -1.614 1.00 40.34 H new ATOM 0 HD12 LEU A 10 16.104 10.723 -1.213 1.00 40.34 H new ATOM 0 HD13 LEU A 10 15.447 10.223 -2.789 1.00 40.34 H new ATOM 0 HD21 LEU A 10 12.754 9.220 -1.678 1.00 42.14 H new ATOM 0 HD22 LEU A 10 13.734 8.316 -2.856 1.00 42.14 H new ATOM 0 HD23 LEU A 10 13.253 7.549 -1.323 1.00 42.14 H new ATOM 164 N LEU A 11 17.990 5.858 -2.710 1.00 10.44 N ATOM 165 CA LEU A 11 19.311 5.240 -2.711 1.00 20.52 C ATOM 166 C LEU A 11 19.966 5.357 -4.083 1.00 61.03 C ATOM 167 O LEU A 11 21.141 5.032 -4.251 1.00 60.20 O ATOM 168 CB LEU A 11 19.207 3.768 -2.307 1.00 72.21 C ATOM 169 CG LEU A 11 19.117 3.488 -0.807 1.00 14.25 C ATOM 170 CD1 LEU A 11 20.342 4.032 -0.088 1.00 33.43 C ATOM 171 CD2 LEU A 11 17.845 4.091 -0.227 1.00 60.22 C ATOM 0 H LEU A 11 17.214 5.196 -2.701 1.00 10.44 H new ATOM 0 HA LEU A 11 19.932 5.767 -1.986 1.00 20.52 H new ATOM 0 HB2 LEU A 11 18.328 3.341 -2.789 1.00 72.21 H new ATOM 0 HB3 LEU A 11 20.075 3.241 -2.703 1.00 72.21 H new ATOM 0 HG LEU A 11 19.084 2.408 -0.660 1.00 14.25 H new ATOM 0 HD11 LEU A 11 20.260 3.823 0.979 1.00 33.43 H new ATOM 0 HD12 LEU A 11 21.238 3.554 -0.484 1.00 33.43 H new ATOM 0 HD13 LEU A 11 20.407 5.109 -0.243 1.00 33.43 H new ATOM 0 HD21 LEU A 11 17.798 3.882 0.842 1.00 60.22 H new ATOM 0 HD22 LEU A 11 17.848 5.169 -0.386 1.00 60.22 H new ATOM 0 HD23 LEU A 11 16.977 3.654 -0.721 1.00 60.22 H new ATOM 183 N ALA A 12 19.198 5.826 -5.062 1.00 24.15 N ATOM 184 CA ALA A 12 19.705 5.991 -6.418 1.00 62.42 C ATOM 185 C ALA A 12 20.652 7.182 -6.510 1.00 3.35 C ATOM 186 O ALA A 12 21.741 7.081 -7.075 1.00 4.42 O ATOM 187 CB ALA A 12 18.551 6.155 -7.396 1.00 64.34 C ATOM 0 H ALA A 12 18.223 6.098 -4.940 1.00 24.15 H new ATOM 0 HA ALA A 12 20.266 5.094 -6.681 1.00 62.42 H new ATOM 0 HB1 ALA A 12 18.944 6.277 -8.405 1.00 64.34 H new ATOM 0 HB2 ALA A 12 17.914 5.271 -7.359 1.00 64.34 H new ATOM 0 HB3 ALA A 12 17.967 7.034 -7.125 1.00 64.34 H new ATOM 193 N LYS A 13 20.230 8.311 -5.951 1.00 4.55 N ATOM 194 CA LYS A 13 21.041 9.524 -5.968 1.00 34.42 C ATOM 195 C LYS A 13 22.421 9.264 -5.374 1.00 23.32 C ATOM 196 O LYS A 13 23.412 9.862 -5.795 1.00 55.00 O ATOM 197 CB LYS A 13 20.341 10.640 -5.190 1.00 0.51 C ATOM 198 CG LYS A 13 20.361 10.438 -3.685 1.00 3.23 C ATOM 199 CD LYS A 13 21.537 11.155 -3.042 1.00 33.25 C ATOM 200 CE LYS A 13 21.171 11.709 -1.673 1.00 74.31 C ATOM 201 NZ LYS A 13 22.288 12.489 -1.073 1.00 43.05 N ATOM 0 H LYS A 13 19.331 8.412 -5.480 1.00 4.55 H new ATOM 0 HA LYS A 13 21.164 9.835 -7.005 1.00 34.42 H new ATOM 0 HB2 LYS A 13 20.818 11.591 -5.427 1.00 0.51 H new ATOM 0 HB3 LYS A 13 19.306 10.711 -5.525 1.00 0.51 H new ATOM 0 HG2 LYS A 13 19.430 10.807 -3.255 1.00 3.23 H new ATOM 0 HG3 LYS A 13 20.416 9.373 -3.461 1.00 3.23 H new ATOM 0 HD2 LYS A 13 22.376 10.466 -2.944 1.00 33.25 H new ATOM 0 HD3 LYS A 13 21.866 11.968 -3.689 1.00 33.25 H new ATOM 0 HE2 LYS A 13 20.291 12.346 -1.762 1.00 74.31 H new ATOM 0 HE3 LYS A 13 20.904 10.887 -1.008 1.00 74.31 H new ATOM 0 HZ1 LYS A 13 21.999 12.849 -0.141 1.00 43.05 H new ATOM 0 HZ2 LYS A 13 23.121 11.875 -0.964 1.00 43.05 H new ATOM 0 HZ3 LYS A 13 22.526 13.288 -1.694 1.00 43.05 H new ATOM 215 N TYR A 14 22.480 8.368 -4.395 1.00 71.30 N ATOM 216 CA TYR A 14 23.739 8.030 -3.743 1.00 24.52 C ATOM 217 C TYR A 14 24.804 7.660 -4.772 1.00 13.24 C ATOM 218 O TYR A 14 25.990 7.922 -4.576 1.00 53.34 O ATOM 219 CB TYR A 14 23.536 6.871 -2.764 1.00 44.53 C ATOM 220 CG TYR A 14 23.040 7.308 -1.404 1.00 65.23 C ATOM 221 CD1 TYR A 14 21.693 7.563 -1.184 1.00 15.41 C ATOM 222 CD2 TYR A 14 23.919 7.465 -0.340 1.00 5.50 C ATOM 223 CE1 TYR A 14 21.235 7.963 0.057 1.00 73.02 C ATOM 224 CE2 TYR A 14 23.470 7.863 0.904 1.00 5.24 C ATOM 225 CZ TYR A 14 22.127 8.111 1.098 1.00 64.12 C ATOM 226 OH TYR A 14 21.676 8.509 2.336 1.00 64.45 O ATOM 0 H TYR A 14 21.670 7.863 -4.036 1.00 71.30 H new ATOM 0 HA TYR A 14 24.080 8.907 -3.193 1.00 24.52 H new ATOM 0 HB2 TYR A 14 22.824 6.165 -3.192 1.00 44.53 H new ATOM 0 HB3 TYR A 14 24.479 6.338 -2.644 1.00 44.53 H new ATOM 0 HD1 TYR A 14 20.991 7.447 -1.997 1.00 15.41 H new ATOM 0 HD2 TYR A 14 24.971 7.273 -0.488 1.00 5.50 H new ATOM 0 HE1 TYR A 14 20.184 8.159 0.211 1.00 73.02 H new ATOM 0 HE2 TYR A 14 24.167 7.979 1.721 1.00 5.24 H new ATOM 0 HH TYR A 14 22.432 8.563 2.958 1.00 64.45 H new ATOM 236 N GLY A 15 24.369 7.049 -5.870 1.00 2.31 N ATOM 237 CA GLY A 15 25.296 6.654 -6.914 1.00 73.44 C ATOM 238 C GLY A 15 25.122 5.205 -7.325 1.00 71.04 C ATOM 239 O GLY A 15 26.095 4.523 -7.646 1.00 30.51 O ATOM 0 H GLY A 15 23.392 6.821 -6.055 1.00 2.31 H new ATOM 0 HA2 GLY A 15 25.153 7.295 -7.784 1.00 73.44 H new ATOM 0 HA3 GLY A 15 26.317 6.810 -6.567 1.00 73.44 H new ATOM 243 N SER A 16 23.879 4.733 -7.315 1.00 2.44 N ATOM 244 CA SER A 16 23.582 3.354 -7.684 1.00 13.42 C ATOM 245 C SER A 16 24.456 2.381 -6.899 1.00 41.20 C ATOM 246 O SER A 16 24.791 1.300 -7.383 1.00 63.10 O ATOM 247 CB SER A 16 23.792 3.150 -9.185 1.00 73.53 C ATOM 248 OG SER A 16 23.006 2.073 -9.668 1.00 4.21 O ATOM 0 H SER A 16 23.062 5.285 -7.055 1.00 2.44 H new ATOM 0 HA SER A 16 22.539 3.155 -7.440 1.00 13.42 H new ATOM 0 HB2 SER A 16 23.531 4.063 -9.719 1.00 73.53 H new ATOM 0 HB3 SER A 16 24.845 2.954 -9.385 1.00 73.53 H new ATOM 0 HG SER A 16 23.181 1.273 -9.129 1.00 4.21 H new ATOM 254 N LYS A 17 24.823 2.773 -5.684 1.00 14.25 N ATOM 255 CA LYS A 17 25.657 1.937 -4.829 1.00 11.24 C ATOM 256 C LYS A 17 24.864 1.420 -3.632 1.00 40.15 C ATOM 257 O LYS A 17 24.628 0.219 -3.505 1.00 2.13 O ATOM 258 CB LYS A 17 26.876 2.725 -4.344 1.00 22.33 C ATOM 259 CG LYS A 17 28.060 1.847 -3.974 1.00 55.11 C ATOM 260 CD LYS A 17 29.377 2.580 -4.162 1.00 64.32 C ATOM 261 CE LYS A 17 29.728 3.419 -2.943 1.00 34.31 C ATOM 262 NZ LYS A 17 31.014 4.148 -3.122 1.00 32.40 N ATOM 0 H LYS A 17 24.556 3.665 -5.269 1.00 14.25 H new ATOM 0 HA LYS A 17 25.994 1.082 -5.416 1.00 11.24 H new ATOM 0 HB2 LYS A 17 27.181 3.422 -5.124 1.00 22.33 H new ATOM 0 HB3 LYS A 17 26.591 3.321 -3.477 1.00 22.33 H new ATOM 0 HG2 LYS A 17 27.966 1.526 -2.937 1.00 55.11 H new ATOM 0 HG3 LYS A 17 28.053 0.947 -4.588 1.00 55.11 H new ATOM 0 HD2 LYS A 17 30.172 1.859 -4.350 1.00 64.32 H new ATOM 0 HD3 LYS A 17 29.315 3.222 -5.041 1.00 64.32 H new ATOM 0 HE2 LYS A 17 28.928 4.135 -2.753 1.00 34.31 H new ATOM 0 HE3 LYS A 17 29.795 2.775 -2.066 1.00 34.31 H new ATOM 0 HZ1 LYS A 17 31.217 4.708 -2.269 1.00 32.40 H new ATOM 0 HZ2 LYS A 17 31.782 3.464 -3.278 1.00 32.40 H new ATOM 0 HZ3 LYS A 17 30.942 4.782 -3.943 1.00 32.40 H new ATOM 276 N ALA A 18 24.454 2.335 -2.760 1.00 22.22 N ATOM 277 CA ALA A 18 23.685 1.971 -1.576 1.00 52.05 C ATOM 278 C ALA A 18 22.389 1.265 -1.960 1.00 55.40 C ATOM 279 O ALA A 18 21.833 0.496 -1.176 1.00 11.45 O ATOM 280 CB ALA A 18 23.388 3.207 -0.740 1.00 32.53 C ATOM 0 H ALA A 18 24.641 3.334 -2.851 1.00 22.22 H new ATOM 0 HA ALA A 18 24.283 1.279 -0.982 1.00 52.05 H new ATOM 0 HB1 ALA A 18 22.813 2.921 0.141 1.00 32.53 H new ATOM 0 HB2 ALA A 18 24.325 3.669 -0.428 1.00 32.53 H new ATOM 0 HB3 ALA A 18 22.813 3.918 -1.333 1.00 32.53 H new ATOM 286 N VAL A 19 21.911 1.532 -3.171 1.00 52.45 N ATOM 287 CA VAL A 19 20.680 0.922 -3.659 1.00 54.53 C ATOM 288 C VAL A 19 20.835 -0.587 -3.807 1.00 42.24 C ATOM 289 O VAL A 19 19.894 -1.343 -3.569 1.00 24.42 O ATOM 290 CB VAL A 19 20.256 1.519 -5.015 1.00 2.45 C ATOM 291 CG1 VAL A 19 21.352 1.322 -6.051 1.00 31.31 C ATOM 292 CG2 VAL A 19 18.949 0.900 -5.484 1.00 72.41 C ATOM 0 H VAL A 19 22.358 2.167 -3.832 1.00 52.45 H new ATOM 0 HA VAL A 19 19.908 1.134 -2.920 1.00 54.53 H new ATOM 0 HB VAL A 19 20.098 2.590 -4.888 1.00 2.45 H new ATOM 0 HG11 VAL A 19 21.035 1.750 -7.002 1.00 31.31 H new ATOM 0 HG12 VAL A 19 22.263 1.818 -5.716 1.00 31.31 H new ATOM 0 HG13 VAL A 19 21.545 0.257 -6.179 1.00 31.31 H new ATOM 0 HG21 VAL A 19 18.665 1.333 -6.443 1.00 72.41 H new ATOM 0 HG22 VAL A 19 19.076 -0.177 -5.596 1.00 72.41 H new ATOM 0 HG23 VAL A 19 18.168 1.099 -4.750 1.00 72.41 H new ATOM 302 N GLN A 20 22.029 -1.017 -4.202 1.00 61.22 N ATOM 303 CA GLN A 20 22.308 -2.437 -4.382 1.00 74.13 C ATOM 304 C GLN A 20 21.919 -3.230 -3.139 1.00 30.02 C ATOM 305 O GLN A 20 21.237 -4.251 -3.230 1.00 42.00 O ATOM 306 CB GLN A 20 23.789 -2.652 -4.696 1.00 62.03 C ATOM 307 CG GLN A 20 24.161 -4.111 -4.907 1.00 0.11 C ATOM 308 CD GLN A 20 23.394 -4.750 -6.048 1.00 13.15 C ATOM 309 OE1 GLN A 20 23.418 -4.262 -7.178 1.00 24.11 O ATOM 310 NE2 GLN A 20 22.706 -5.848 -5.757 1.00 22.21 N ATOM 0 H GLN A 20 22.818 -0.403 -4.403 1.00 61.22 H new ATOM 0 HA GLN A 20 21.711 -2.795 -5.221 1.00 74.13 H new ATOM 0 HB2 GLN A 20 24.048 -2.087 -5.591 1.00 62.03 H new ATOM 0 HB3 GLN A 20 24.387 -2.248 -3.880 1.00 62.03 H new ATOM 0 HG2 GLN A 20 25.230 -4.184 -5.107 1.00 0.11 H new ATOM 0 HG3 GLN A 20 23.970 -4.667 -3.989 1.00 0.11 H new ATOM 0 HE21 GLN A 20 22.714 -6.218 -4.807 1.00 22.21 H new ATOM 0 HE22 GLN A 20 22.169 -6.321 -6.484 1.00 22.21 H new ATOM 319 N TRP A 21 22.357 -2.754 -1.979 1.00 41.11 N ATOM 320 CA TRP A 21 22.055 -3.419 -0.717 1.00 20.32 C ATOM 321 C TRP A 21 20.554 -3.634 -0.560 1.00 73.34 C ATOM 322 O TRP A 21 20.098 -4.756 -0.342 1.00 73.20 O ATOM 323 CB TRP A 21 22.590 -2.598 0.457 1.00 1.22 C ATOM 324 CG TRP A 21 22.518 -3.320 1.769 1.00 43.42 C ATOM 325 CD1 TRP A 21 23.213 -4.440 2.127 1.00 11.51 C ATOM 326 CD2 TRP A 21 21.705 -2.972 2.895 1.00 43.11 C ATOM 327 NE1 TRP A 21 22.881 -4.809 3.408 1.00 34.12 N ATOM 328 CE2 TRP A 21 21.958 -3.924 3.901 1.00 24.44 C ATOM 329 CE3 TRP A 21 20.790 -1.948 3.152 1.00 50.22 C ATOM 330 CZ2 TRP A 21 21.328 -3.882 5.142 1.00 54.42 C ATOM 331 CZ3 TRP A 21 20.165 -1.907 4.383 1.00 15.13 C ATOM 332 CH2 TRP A 21 20.436 -2.868 5.366 1.00 31.11 C ATOM 0 H TRP A 21 22.922 -1.910 -1.886 1.00 41.11 H new ATOM 0 HA TRP A 21 22.544 -4.393 -0.723 1.00 20.32 H new ATOM 0 HB2 TRP A 21 23.626 -2.324 0.257 1.00 1.22 H new ATOM 0 HB3 TRP A 21 22.024 -1.670 0.530 1.00 1.22 H new ATOM 0 HD1 TRP A 21 23.919 -4.959 1.496 1.00 11.51 H new ATOM 0 HE1 TRP A 21 23.260 -5.612 3.911 1.00 34.12 H new ATOM 0 HE3 TRP A 21 20.575 -1.202 2.401 1.00 50.22 H new ATOM 0 HZ2 TRP A 21 21.536 -4.622 5.900 1.00 54.42 H new ATOM 0 HZ3 TRP A 21 19.455 -1.120 4.592 1.00 15.13 H new ATOM 0 HH2 TRP A 21 19.931 -2.808 6.319 1.00 31.11 H new ATOM 343 N ALA A 22 19.790 -2.552 -0.674 1.00 23.42 N ATOM 344 CA ALA A 22 18.340 -2.624 -0.547 1.00 70.12 C ATOM 345 C ALA A 22 17.761 -3.695 -1.465 1.00 61.32 C ATOM 346 O ALA A 22 16.777 -4.352 -1.125 1.00 23.25 O ATOM 347 CB ALA A 22 17.716 -1.271 -0.853 1.00 51.40 C ATOM 0 H ALA A 22 20.152 -1.615 -0.854 1.00 23.42 H new ATOM 0 HA ALA A 22 18.103 -2.897 0.481 1.00 70.12 H new ATOM 0 HB1 ALA A 22 16.633 -1.339 -0.754 1.00 51.40 H new ATOM 0 HB2 ALA A 22 18.098 -0.528 -0.153 1.00 51.40 H new ATOM 0 HB3 ALA A 22 17.970 -0.975 -1.871 1.00 51.40 H new ATOM 353 N TRP A 23 18.377 -3.865 -2.630 1.00 33.35 N ATOM 354 CA TRP A 23 17.921 -4.857 -3.597 1.00 60.11 C ATOM 355 C TRP A 23 18.378 -6.256 -3.199 1.00 21.11 C ATOM 356 O TRP A 23 17.672 -7.238 -3.428 1.00 4.15 O ATOM 357 CB TRP A 23 18.443 -4.515 -4.993 1.00 50.35 C ATOM 358 CG TRP A 23 17.549 -3.579 -5.749 1.00 13.31 C ATOM 359 CD1 TRP A 23 17.670 -2.221 -5.836 1.00 74.21 C ATOM 360 CD2 TRP A 23 16.396 -3.931 -6.521 1.00 70.33 C ATOM 361 NE1 TRP A 23 16.661 -1.709 -6.616 1.00 43.42 N ATOM 362 CE2 TRP A 23 15.867 -2.737 -7.049 1.00 62.24 C ATOM 363 CE3 TRP A 23 15.760 -5.139 -6.820 1.00 62.41 C ATOM 364 CZ2 TRP A 23 14.733 -2.719 -7.857 1.00 2.20 C ATOM 365 CZ3 TRP A 23 14.635 -5.119 -7.621 1.00 73.35 C ATOM 366 CH2 TRP A 23 14.131 -3.916 -8.133 1.00 72.12 C ATOM 0 H TRP A 23 19.193 -3.329 -2.927 1.00 33.35 H new ATOM 0 HA TRP A 23 16.831 -4.841 -3.610 1.00 60.11 H new ATOM 0 HB2 TRP A 23 19.433 -4.067 -4.903 1.00 50.35 H new ATOM 0 HB3 TRP A 23 18.560 -5.436 -5.565 1.00 50.35 H new ATOM 0 HD1 TRP A 23 18.444 -1.636 -5.362 1.00 74.21 H new ATOM 0 HE1 TRP A 23 16.525 -0.722 -6.837 1.00 43.42 H new ATOM 0 HE3 TRP A 23 16.141 -6.072 -6.432 1.00 62.41 H new ATOM 0 HZ2 TRP A 23 14.343 -1.793 -8.252 1.00 2.20 H new ATOM 0 HZ3 TRP A 23 14.135 -6.047 -7.857 1.00 73.35 H new ATOM 0 HH2 TRP A 23 13.250 -3.934 -8.758 1.00 72.12 H new ATOM 377 N ALA A 24 19.563 -6.339 -2.602 1.00 73.52 N ATOM 378 CA ALA A 24 20.112 -7.619 -2.170 1.00 41.34 C ATOM 379 C ALA A 24 19.407 -8.124 -0.916 1.00 3.51 C ATOM 380 O ALA A 24 18.715 -9.140 -0.948 1.00 52.23 O ATOM 381 CB ALA A 24 21.608 -7.494 -1.924 1.00 23.15 C ATOM 0 H ALA A 24 20.161 -5.536 -2.407 1.00 73.52 H new ATOM 0 HA ALA A 24 19.945 -8.346 -2.965 1.00 41.34 H new ATOM 0 HB1 ALA A 24 22.005 -8.457 -1.602 1.00 23.15 H new ATOM 0 HB2 ALA A 24 22.104 -7.186 -2.845 1.00 23.15 H new ATOM 0 HB3 ALA A 24 21.788 -6.749 -1.149 1.00 23.15 H new ATOM 387 N ASN A 25 19.589 -7.407 0.189 1.00 43.25 N ATOM 388 CA ASN A 25 18.971 -7.784 1.455 1.00 43.43 C ATOM 389 C ASN A 25 17.457 -7.895 1.309 1.00 53.31 C ATOM 390 O ASN A 25 16.757 -6.888 1.194 1.00 21.02 O ATOM 391 CB ASN A 25 19.317 -6.761 2.539 1.00 70.00 C ATOM 392 CG ASN A 25 20.677 -7.015 3.160 1.00 11.53 C ATOM 393 OD1 ASN A 25 21.678 -7.246 2.319 1.00 24.54 O flip ATOM 394 ND2 ASN A 25 20.825 -7.002 4.382 1.00 51.52 N flip ATOM 0 H ASN A 25 20.159 -6.562 0.233 1.00 43.25 H new ATOM 0 HA ASN A 25 19.362 -8.759 1.746 1.00 43.43 H new ATOM 0 HB2 ASN A 25 19.298 -5.760 2.109 1.00 70.00 H new ATOM 0 HB3 ASN A 25 18.554 -6.788 3.317 1.00 70.00 H new ATOM 0 HD21 ASN A 25 20.027 -6.820 4.990 1.00 51.52 H new ATOM 0 HD22 ASN A 25 21.746 -7.173 4.786 1.00 51.52 H new ATOM 401 N LYS A 26 16.956 -9.125 1.315 1.00 70.41 N ATOM 402 CA LYS A 26 15.524 -9.370 1.186 1.00 64.15 C ATOM 403 C LYS A 26 14.929 -9.828 2.513 1.00 74.32 C ATOM 404 O LYS A 26 15.609 -10.450 3.328 1.00 12.31 O ATOM 405 CB LYS A 26 15.262 -10.423 0.106 1.00 14.50 C ATOM 406 CG LYS A 26 15.618 -11.835 0.534 1.00 24.43 C ATOM 407 CD LYS A 26 15.501 -12.815 -0.621 1.00 40.15 C ATOM 408 CE LYS A 26 14.049 -13.158 -0.916 1.00 32.43 C ATOM 409 NZ LYS A 26 13.929 -14.213 -1.960 1.00 51.02 N ATOM 0 H LYS A 26 17.521 -9.969 1.408 1.00 70.41 H new ATOM 0 HA LYS A 26 15.045 -8.435 0.897 1.00 64.15 H new ATOM 0 HB2 LYS A 26 14.209 -10.391 -0.172 1.00 14.50 H new ATOM 0 HB3 LYS A 26 15.835 -10.167 -0.785 1.00 14.50 H new ATOM 0 HG2 LYS A 26 16.635 -11.852 0.925 1.00 24.43 H new ATOM 0 HG3 LYS A 26 14.960 -12.147 1.345 1.00 24.43 H new ATOM 0 HD2 LYS A 26 15.963 -12.387 -1.511 1.00 40.15 H new ATOM 0 HD3 LYS A 26 16.050 -13.726 -0.384 1.00 40.15 H new ATOM 0 HE2 LYS A 26 13.563 -13.496 -0.001 1.00 32.43 H new ATOM 0 HE3 LYS A 26 13.523 -12.261 -1.244 1.00 32.43 H new ATOM 0 HZ1 LYS A 26 12.924 -14.418 -2.132 1.00 51.02 H new ATOM 0 HZ2 LYS A 26 14.371 -13.881 -2.841 1.00 51.02 H new ATOM 0 HZ3 LYS A 26 14.408 -15.077 -1.637 1.00 51.02 H new ATOM 423 N GLY A 27 13.653 -9.518 2.722 1.00 34.23 N ATOM 424 CA GLY A 27 12.987 -9.907 3.952 1.00 71.33 C ATOM 425 C GLY A 27 13.601 -9.256 5.175 1.00 63.31 C ATOM 426 O GLY A 27 13.424 -9.732 6.296 1.00 20.44 O ATOM 0 H GLY A 27 13.069 -9.005 2.062 1.00 34.23 H new ATOM 0 HA2 GLY A 27 11.933 -9.637 3.892 1.00 71.33 H new ATOM 0 HA3 GLY A 27 13.033 -10.991 4.059 1.00 71.33 H new ATOM 430 N LYS A 28 14.328 -8.165 4.960 1.00 13.42 N ATOM 431 CA LYS A 28 14.972 -7.446 6.053 1.00 33.34 C ATOM 432 C LYS A 28 14.419 -6.030 6.174 1.00 13.12 C ATOM 433 O LYS A 28 13.874 -5.653 7.212 1.00 10.21 O ATOM 434 CB LYS A 28 16.486 -7.397 5.837 1.00 71.32 C ATOM 435 CG LYS A 28 17.240 -6.716 6.965 1.00 1.14 C ATOM 436 CD LYS A 28 17.309 -7.597 8.201 1.00 3.15 C ATOM 437 CE LYS A 28 16.192 -7.272 9.181 1.00 40.20 C ATOM 438 NZ LYS A 28 16.577 -6.181 10.119 1.00 55.33 N ATOM 0 H LYS A 28 14.486 -7.759 4.038 1.00 13.42 H new ATOM 0 HA LYS A 28 14.761 -7.980 6.980 1.00 33.34 H new ATOM 0 HB2 LYS A 28 16.861 -8.414 5.723 1.00 71.32 H new ATOM 0 HB3 LYS A 28 16.695 -6.873 4.904 1.00 71.32 H new ATOM 0 HG2 LYS A 28 18.250 -6.472 6.634 1.00 1.14 H new ATOM 0 HG3 LYS A 28 16.751 -5.775 7.215 1.00 1.14 H new ATOM 0 HD2 LYS A 28 17.243 -8.644 7.907 1.00 3.15 H new ATOM 0 HD3 LYS A 28 18.274 -7.464 8.690 1.00 3.15 H new ATOM 0 HE2 LYS A 28 15.299 -6.978 8.629 1.00 40.20 H new ATOM 0 HE3 LYS A 28 15.936 -8.166 9.749 1.00 40.20 H new ATOM 0 HZ1 LYS A 28 15.892 -6.137 10.900 1.00 55.33 H new ATOM 0 HZ2 LYS A 28 17.526 -6.370 10.501 1.00 55.33 H new ATOM 0 HZ3 LYS A 28 16.582 -5.273 9.612 1.00 55.33 H new ATOM 452 N ILE A 29 14.561 -5.251 5.107 1.00 21.11 N ATOM 453 CA ILE A 29 14.073 -3.878 5.094 1.00 43.43 C ATOM 454 C ILE A 29 12.550 -3.836 5.044 1.00 53.12 C ATOM 455 O ILE A 29 11.921 -2.967 5.649 1.00 2.34 O ATOM 456 CB ILE A 29 14.637 -3.092 3.895 1.00 13.31 C ATOM 457 CG1 ILE A 29 16.165 -3.172 3.878 1.00 55.25 C ATOM 458 CG2 ILE A 29 14.177 -1.642 3.949 1.00 25.22 C ATOM 459 CD1 ILE A 29 16.795 -2.435 2.717 1.00 50.32 C ATOM 0 H ILE A 29 15.010 -5.547 4.240 1.00 21.11 H new ATOM 0 HA ILE A 29 14.416 -3.412 6.018 1.00 43.43 H new ATOM 0 HB ILE A 29 14.259 -3.539 2.976 1.00 13.31 H new ATOM 0 HG12 ILE A 29 16.553 -2.763 4.811 1.00 55.25 H new ATOM 0 HG13 ILE A 29 16.466 -4.219 3.840 1.00 55.25 H new ATOM 0 HG21 ILE A 29 14.583 -1.099 3.096 1.00 25.22 H new ATOM 0 HG22 ILE A 29 13.088 -1.604 3.918 1.00 25.22 H new ATOM 0 HG23 ILE A 29 14.530 -1.183 4.872 1.00 25.22 H new ATOM 0 HD11 ILE A 29 17.879 -2.534 2.768 1.00 50.32 H new ATOM 0 HD12 ILE A 29 16.436 -2.859 1.779 1.00 50.32 H new ATOM 0 HD13 ILE A 29 16.524 -1.380 2.766 1.00 50.32 H new ATOM 471 N LEU A 30 11.961 -4.782 4.320 1.00 41.51 N ATOM 472 CA LEU A 30 10.510 -4.855 4.192 1.00 13.10 C ATOM 473 C LEU A 30 9.850 -5.008 5.559 1.00 73.14 C ATOM 474 O LEU A 30 8.696 -4.624 5.748 1.00 14.52 O ATOM 475 CB LEU A 30 10.116 -6.025 3.289 1.00 41.02 C ATOM 476 CG LEU A 30 10.119 -5.743 1.786 1.00 75.11 C ATOM 477 CD1 LEU A 30 9.037 -4.735 1.430 1.00 11.01 C ATOM 478 CD2 LEU A 30 11.484 -5.242 1.339 1.00 24.53 C ATOM 0 H LEU A 30 12.466 -5.509 3.813 1.00 41.51 H new ATOM 0 HA LEU A 30 10.162 -3.925 3.743 1.00 13.10 H new ATOM 0 HB2 LEU A 30 10.796 -6.854 3.484 1.00 41.02 H new ATOM 0 HB3 LEU A 30 9.118 -6.358 3.574 1.00 41.02 H new ATOM 0 HG LEU A 30 9.907 -6.675 1.261 1.00 75.11 H new ATOM 0 HD11 LEU A 30 9.054 -4.547 0.357 1.00 11.01 H new ATOM 0 HD12 LEU A 30 8.062 -5.132 1.713 1.00 11.01 H new ATOM 0 HD13 LEU A 30 9.218 -3.803 1.965 1.00 11.01 H new ATOM 0 HD21 LEU A 30 11.467 -5.047 0.267 1.00 24.53 H new ATOM 0 HD22 LEU A 30 11.726 -4.322 1.871 1.00 24.53 H new ATOM 0 HD23 LEU A 30 12.239 -5.998 1.558 1.00 24.53 H new ATOM 490 N ASP A 31 10.590 -5.570 6.508 1.00 60.14 N ATOM 491 CA ASP A 31 10.078 -5.771 7.858 1.00 21.22 C ATOM 492 C ASP A 31 10.040 -4.454 8.626 1.00 15.24 C ATOM 493 O ASP A 31 9.093 -4.182 9.365 1.00 31.40 O ATOM 494 CB ASP A 31 10.941 -6.788 8.607 1.00 12.25 C ATOM 495 CG ASP A 31 10.547 -8.219 8.301 1.00 74.30 C ATOM 496 OD1 ASP A 31 9.515 -8.677 8.834 1.00 34.13 O ATOM 497 OD2 ASP A 31 11.271 -8.882 7.528 1.00 35.05 O ATOM 0 H ASP A 31 11.547 -5.895 6.367 1.00 60.14 H new ATOM 0 HA ASP A 31 9.061 -6.155 7.781 1.00 21.22 H new ATOM 0 HB2 ASP A 31 11.987 -6.638 8.341 1.00 12.25 H new ATOM 0 HB3 ASP A 31 10.856 -6.612 9.679 1.00 12.25 H new ATOM 502 N TRP A 32 11.074 -3.641 8.448 1.00 41.42 N ATOM 503 CA TRP A 32 11.159 -2.352 9.125 1.00 12.25 C ATOM 504 C TRP A 32 9.916 -1.511 8.854 1.00 70.30 C ATOM 505 O TRP A 32 9.290 -0.994 9.780 1.00 41.50 O ATOM 506 CB TRP A 32 12.409 -1.596 8.673 1.00 4.05 C ATOM 507 CG TRP A 32 13.678 -2.148 9.250 1.00 11.13 C ATOM 508 CD1 TRP A 32 13.816 -2.823 10.429 1.00 4.35 C ATOM 509 CD2 TRP A 32 14.986 -2.070 8.674 1.00 22.11 C ATOM 510 NE1 TRP A 32 15.132 -3.169 10.621 1.00 22.11 N ATOM 511 CE2 TRP A 32 15.870 -2.720 9.558 1.00 10.31 C ATOM 512 CE3 TRP A 32 15.497 -1.517 7.497 1.00 50.11 C ATOM 513 CZ2 TRP A 32 17.234 -2.828 9.300 1.00 31.52 C ATOM 514 CZ3 TRP A 32 16.851 -1.625 7.243 1.00 71.44 C ATOM 515 CH2 TRP A 32 17.707 -2.278 8.140 1.00 13.43 C ATOM 0 H TRP A 32 11.866 -3.851 7.840 1.00 41.42 H new ATOM 0 HA TRP A 32 11.223 -2.537 10.197 1.00 12.25 H new ATOM 0 HB2 TRP A 32 12.470 -1.626 7.585 1.00 4.05 H new ATOM 0 HB3 TRP A 32 12.314 -0.548 8.958 1.00 4.05 H new ATOM 0 HD1 TRP A 32 13.010 -3.051 11.110 1.00 4.35 H new ATOM 0 HE1 TRP A 32 15.500 -3.678 11.425 1.00 22.11 H new ATOM 0 HE3 TRP A 32 14.845 -1.014 6.798 1.00 50.11 H new ATOM 0 HZ2 TRP A 32 17.896 -3.329 9.992 1.00 31.52 H new ATOM 0 HZ3 TRP A 32 17.257 -1.199 6.337 1.00 71.44 H new ATOM 0 HH2 TRP A 32 18.760 -2.348 7.911 1.00 13.43 H new ATOM 526 N LEU A 33 9.563 -1.379 7.580 1.00 20.42 N ATOM 527 CA LEU A 33 8.393 -0.601 7.187 1.00 64.20 C ATOM 528 C LEU A 33 7.154 -1.058 7.949 1.00 32.42 C ATOM 529 O LEU A 33 6.299 -0.249 8.306 1.00 52.12 O ATOM 530 CB LEU A 33 8.155 -0.727 5.681 1.00 4.11 C ATOM 531 CG LEU A 33 9.149 0.008 4.781 1.00 41.01 C ATOM 532 CD1 LEU A 33 9.029 -0.478 3.345 1.00 60.01 C ATOM 533 CD2 LEU A 33 8.927 1.512 4.857 1.00 21.53 C ATOM 0 H LEU A 33 10.070 -1.800 6.802 1.00 20.42 H new ATOM 0 HA LEU A 33 8.583 0.444 7.433 1.00 64.20 H new ATOM 0 HB2 LEU A 33 8.171 -1.785 5.418 1.00 4.11 H new ATOM 0 HB3 LEU A 33 7.153 -0.358 5.460 1.00 4.11 H new ATOM 0 HG LEU A 33 10.157 -0.209 5.133 1.00 41.01 H new ATOM 0 HD11 LEU A 33 9.744 0.056 2.719 1.00 60.01 H new ATOM 0 HD12 LEU A 33 9.238 -1.547 3.304 1.00 60.01 H new ATOM 0 HD13 LEU A 33 8.018 -0.292 2.981 1.00 60.01 H new ATOM 0 HD21 LEU A 33 9.643 2.019 4.210 1.00 21.53 H new ATOM 0 HD22 LEU A 33 7.914 1.747 4.531 1.00 21.53 H new ATOM 0 HD23 LEU A 33 9.065 1.849 5.885 1.00 21.53 H new ATOM 545 N ASN A 34 7.065 -2.361 8.197 1.00 31.12 N ATOM 546 CA ASN A 34 5.931 -2.926 8.919 1.00 74.11 C ATOM 547 C ASN A 34 5.954 -2.505 10.385 1.00 1.40 C ATOM 548 O ASN A 34 5.001 -1.907 10.885 1.00 24.30 O ATOM 549 CB ASN A 34 5.943 -4.453 8.815 1.00 14.43 C ATOM 550 CG ASN A 34 5.175 -4.956 7.608 1.00 33.24 C ATOM 551 OD1 ASN A 34 4.073 -5.490 7.738 1.00 21.33 O ATOM 552 ND2 ASN A 34 5.755 -4.788 6.426 1.00 51.01 N ATOM 0 H ASN A 34 7.765 -3.045 7.909 1.00 31.12 H new ATOM 0 HA ASN A 34 5.017 -2.544 8.465 1.00 74.11 H new ATOM 0 HB2 ASN A 34 6.974 -4.803 8.758 1.00 14.43 H new ATOM 0 HB3 ASN A 34 5.512 -4.880 9.720 1.00 14.43 H new ATOM 0 HD21 ASN A 34 5.286 -5.107 5.578 1.00 51.01 H new ATOM 0 HD22 ASN A 34 6.669 -4.340 6.366 1.00 51.01 H new ATOM 559 N ALA A 35 7.050 -2.820 11.068 1.00 12.51 N ATOM 560 CA ALA A 35 7.199 -2.471 12.476 1.00 70.44 C ATOM 561 C ALA A 35 7.102 -0.964 12.681 1.00 13.55 C ATOM 562 O ALA A 35 6.747 -0.496 13.763 1.00 71.42 O ATOM 563 CB ALA A 35 8.523 -2.995 13.011 1.00 4.22 C ATOM 0 H ALA A 35 7.847 -3.316 10.669 1.00 12.51 H new ATOM 0 HA ALA A 35 6.385 -2.939 13.030 1.00 70.44 H new ATOM 0 HB1 ALA A 35 8.622 -2.728 14.063 1.00 4.22 H new ATOM 0 HB2 ALA A 35 8.553 -4.080 12.908 1.00 4.22 H new ATOM 0 HB3 ALA A 35 9.344 -2.554 12.446 1.00 4.22 H new ATOM 569 N GLY A 36 7.420 -0.206 11.636 1.00 62.20 N ATOM 570 CA GLY A 36 7.363 1.241 11.724 1.00 40.34 C ATOM 571 C GLY A 36 7.793 1.917 10.437 1.00 52.42 C ATOM 572 O GLY A 36 8.957 1.839 10.047 1.00 5.40 O ATOM 0 H GLY A 36 7.716 -0.569 10.730 1.00 62.20 H new ATOM 0 HA2 GLY A 36 6.346 1.547 11.970 1.00 40.34 H new ATOM 0 HA3 GLY A 36 8.003 1.578 12.539 1.00 40.34 H new ATOM 576 N GLN A 37 6.850 2.581 9.775 1.00 2.15 N ATOM 577 CA GLN A 37 7.138 3.271 8.524 1.00 50.33 C ATOM 578 C GLN A 37 7.857 4.591 8.783 1.00 50.23 C ATOM 579 O GLN A 37 7.353 5.661 8.443 1.00 73.13 O ATOM 580 CB GLN A 37 5.844 3.525 7.748 1.00 44.33 C ATOM 581 CG GLN A 37 4.781 4.250 8.558 1.00 65.14 C ATOM 582 CD GLN A 37 3.749 4.935 7.684 1.00 12.15 C ATOM 583 OE1 GLN A 37 3.035 4.285 6.921 1.00 74.41 O ATOM 584 NE2 GLN A 37 3.664 6.256 7.793 1.00 61.13 N ATOM 0 H GLN A 37 5.881 2.655 10.085 1.00 2.15 H new ATOM 0 HA GLN A 37 7.792 2.633 7.929 1.00 50.33 H new ATOM 0 HB2 GLN A 37 6.073 4.111 6.858 1.00 44.33 H new ATOM 0 HB3 GLN A 37 5.441 2.571 7.407 1.00 44.33 H new ATOM 0 HG2 GLN A 37 4.281 3.538 9.214 1.00 65.14 H new ATOM 0 HG3 GLN A 37 5.260 4.991 9.198 1.00 65.14 H new ATOM 0 HE21 GLN A 37 4.276 6.755 8.439 1.00 61.13 H new ATOM 0 HE22 GLN A 37 2.987 6.772 7.231 1.00 61.13 H new ATOM 593 N ALA A 38 9.038 4.507 9.387 1.00 14.50 N ATOM 594 CA ALA A 38 9.827 5.695 9.690 1.00 14.10 C ATOM 595 C ALA A 38 11.014 5.822 8.741 1.00 13.33 C ATOM 596 O ALA A 38 12.049 5.185 8.939 1.00 52.33 O ATOM 597 CB ALA A 38 10.304 5.657 11.134 1.00 3.01 C ATOM 0 H ALA A 38 9.469 3.629 9.676 1.00 14.50 H new ATOM 0 HA ALA A 38 9.191 6.569 9.552 1.00 14.10 H new ATOM 0 HB1 ALA A 38 10.892 6.550 11.347 1.00 3.01 H new ATOM 0 HB2 ALA A 38 9.443 5.622 11.801 1.00 3.01 H new ATOM 0 HB3 ALA A 38 10.920 4.771 11.291 1.00 3.01 H new ATOM 603 N ILE A 39 10.857 6.648 7.712 1.00 75.41 N ATOM 604 CA ILE A 39 11.916 6.858 6.733 1.00 21.23 C ATOM 605 C ILE A 39 13.215 7.280 7.412 1.00 50.14 C ATOM 606 O ILE A 39 14.263 6.669 7.203 1.00 22.15 O ATOM 607 CB ILE A 39 11.521 7.926 5.696 1.00 31.42 C ATOM 608 CG1 ILE A 39 10.238 7.514 4.972 1.00 73.13 C ATOM 609 CG2 ILE A 39 12.651 8.142 4.701 1.00 24.43 C ATOM 610 CD1 ILE A 39 10.379 6.240 4.169 1.00 64.32 C ATOM 0 H ILE A 39 10.007 7.183 7.535 1.00 75.41 H new ATOM 0 HA ILE A 39 12.067 5.907 6.222 1.00 21.23 H new ATOM 0 HB ILE A 39 11.337 8.866 6.216 1.00 31.42 H new ATOM 0 HG12 ILE A 39 9.442 7.385 5.705 1.00 73.13 H new ATOM 0 HG13 ILE A 39 9.931 8.321 4.307 1.00 73.13 H new ATOM 0 HG21 ILE A 39 12.356 8.900 3.975 1.00 24.43 H new ATOM 0 HG22 ILE A 39 13.544 8.475 5.231 1.00 24.43 H new ATOM 0 HG23 ILE A 39 12.864 7.207 4.183 1.00 24.43 H new ATOM 0 HD11 ILE A 39 9.431 6.009 3.683 1.00 64.32 H new ATOM 0 HD12 ILE A 39 11.152 6.371 3.412 1.00 64.32 H new ATOM 0 HD13 ILE A 39 10.656 5.421 4.832 1.00 64.32 H new ATOM 622 N ASP A 40 13.138 8.328 8.225 1.00 73.33 N ATOM 623 CA ASP A 40 14.307 8.831 8.937 1.00 73.32 C ATOM 624 C ASP A 40 14.971 7.720 9.744 1.00 32.22 C ATOM 625 O ASP A 40 16.174 7.759 9.999 1.00 65.01 O ATOM 626 CB ASP A 40 13.910 9.983 9.861 1.00 24.03 C ATOM 627 CG ASP A 40 15.108 10.780 10.339 1.00 22.13 C ATOM 628 OD1 ASP A 40 15.772 11.416 9.495 1.00 64.03 O ATOM 629 OD2 ASP A 40 15.382 10.767 11.558 1.00 61.11 O ATOM 0 H ASP A 40 12.278 8.846 8.407 1.00 73.33 H new ATOM 0 HA ASP A 40 15.022 9.197 8.200 1.00 73.32 H new ATOM 0 HB2 ASP A 40 13.222 10.646 9.336 1.00 24.03 H new ATOM 0 HB3 ASP A 40 13.374 9.586 10.723 1.00 24.03 H new ATOM 634 N TRP A 41 14.178 6.732 10.144 1.00 24.03 N ATOM 635 CA TRP A 41 14.690 5.610 10.924 1.00 13.52 C ATOM 636 C TRP A 41 15.227 4.513 10.012 1.00 14.00 C ATOM 637 O TRP A 41 16.085 3.726 10.410 1.00 23.15 O ATOM 638 CB TRP A 41 13.591 5.048 11.828 1.00 61.15 C ATOM 639 CG TRP A 41 14.106 4.104 12.871 1.00 30.44 C ATOM 640 CD1 TRP A 41 14.546 4.427 14.123 1.00 22.42 C ATOM 641 CD2 TRP A 41 14.236 2.683 12.752 1.00 34.35 C ATOM 642 NE1 TRP A 41 14.942 3.292 14.790 1.00 73.13 N ATOM 643 CE2 TRP A 41 14.760 2.209 13.971 1.00 63.11 C ATOM 644 CE3 TRP A 41 13.958 1.764 11.737 1.00 53.45 C ATOM 645 CZ2 TRP A 41 15.013 0.859 14.197 1.00 33.53 C ATOM 646 CZ3 TRP A 41 14.209 0.425 11.963 1.00 70.53 C ATOM 647 CH2 TRP A 41 14.731 -0.018 13.185 1.00 23.42 C ATOM 0 H TRP A 41 13.179 6.685 9.942 1.00 24.03 H new ATOM 0 HA TRP A 41 15.510 5.974 11.544 1.00 13.52 H new ATOM 0 HB2 TRP A 41 13.076 5.874 12.318 1.00 61.15 H new ATOM 0 HB3 TRP A 41 12.853 4.532 11.213 1.00 61.15 H new ATOM 0 HD1 TRP A 41 14.578 5.427 14.529 1.00 22.42 H new ATOM 0 HE1 TRP A 41 15.311 3.261 15.740 1.00 73.13 H new ATOM 0 HE3 TRP A 41 13.554 2.095 10.792 1.00 53.45 H new ATOM 0 HZ2 TRP A 41 15.418 0.516 15.138 1.00 33.53 H new ATOM 0 HZ3 TRP A 41 13.999 -0.293 11.184 1.00 70.53 H new ATOM 0 HH2 TRP A 41 14.914 -1.072 13.331 1.00 23.42 H new ATOM 658 N VAL A 42 14.716 4.466 8.786 1.00 72.03 N ATOM 659 CA VAL A 42 15.146 3.465 7.816 1.00 15.24 C ATOM 660 C VAL A 42 16.450 3.877 7.143 1.00 72.11 C ATOM 661 O VAL A 42 17.310 3.040 6.867 1.00 53.31 O ATOM 662 CB VAL A 42 14.073 3.234 6.735 1.00 30.04 C ATOM 663 CG1 VAL A 42 14.553 2.212 5.716 1.00 4.03 C ATOM 664 CG2 VAL A 42 12.764 2.791 7.371 1.00 73.24 C ATOM 0 H VAL A 42 14.004 5.109 8.441 1.00 72.03 H new ATOM 0 HA VAL A 42 15.302 2.537 8.366 1.00 15.24 H new ATOM 0 HB VAL A 42 13.897 4.175 6.214 1.00 30.04 H new ATOM 0 HG11 VAL A 42 13.782 2.062 4.960 1.00 4.03 H new ATOM 0 HG12 VAL A 42 15.463 2.574 5.238 1.00 4.03 H new ATOM 0 HG13 VAL A 42 14.758 1.266 6.218 1.00 4.03 H new ATOM 0 HG21 VAL A 42 12.017 2.632 6.593 1.00 73.24 H new ATOM 0 HG22 VAL A 42 12.922 1.861 7.918 1.00 73.24 H new ATOM 0 HG23 VAL A 42 12.414 3.561 8.058 1.00 73.24 H new ATOM 674 N VAL A 43 16.591 5.172 6.881 1.00 51.51 N ATOM 675 CA VAL A 43 17.791 5.697 6.241 1.00 64.31 C ATOM 676 C VAL A 43 18.975 5.689 7.202 1.00 32.31 C ATOM 677 O VAL A 43 20.105 5.398 6.810 1.00 53.25 O ATOM 678 CB VAL A 43 17.572 7.132 5.726 1.00 20.31 C ATOM 679 CG1 VAL A 43 18.827 7.651 5.040 1.00 34.32 C ATOM 680 CG2 VAL A 43 16.379 7.182 4.783 1.00 2.53 C ATOM 0 H VAL A 43 15.888 5.878 7.102 1.00 51.51 H new ATOM 0 HA VAL A 43 18.008 5.045 5.395 1.00 64.31 H new ATOM 0 HB VAL A 43 17.360 7.778 6.578 1.00 20.31 H new ATOM 0 HG11 VAL A 43 18.653 8.666 4.683 1.00 34.32 H new ATOM 0 HG12 VAL A 43 19.655 7.653 5.749 1.00 34.32 H new ATOM 0 HG13 VAL A 43 19.073 7.007 4.196 1.00 34.32 H new ATOM 0 HG21 VAL A 43 16.238 8.203 4.428 1.00 2.53 H new ATOM 0 HG22 VAL A 43 16.559 6.524 3.933 1.00 2.53 H new ATOM 0 HG23 VAL A 43 15.484 6.855 5.311 1.00 2.53 H new ATOM 690 N SER A 44 18.707 6.009 8.464 1.00 2.20 N ATOM 691 CA SER A 44 19.751 6.042 9.482 1.00 12.30 C ATOM 692 C SER A 44 20.402 4.671 9.637 1.00 13.25 C ATOM 693 O SER A 44 21.522 4.555 10.134 1.00 44.32 O ATOM 694 CB SER A 44 19.171 6.499 10.822 1.00 1.21 C ATOM 695 OG SER A 44 18.834 7.875 10.789 1.00 10.24 O ATOM 0 H SER A 44 17.776 6.249 8.806 1.00 2.20 H new ATOM 0 HA SER A 44 20.514 6.753 9.163 1.00 12.30 H new ATOM 0 HB2 SER A 44 18.285 5.910 11.058 1.00 1.21 H new ATOM 0 HB3 SER A 44 19.895 6.318 11.616 1.00 1.21 H new ATOM 0 HG SER A 44 17.903 7.977 10.501 1.00 10.24 H new ATOM 701 N LYS A 45 19.690 3.634 9.209 1.00 24.25 N ATOM 702 CA LYS A 45 20.197 2.269 9.299 1.00 53.33 C ATOM 703 C LYS A 45 20.873 1.854 7.996 1.00 25.14 C ATOM 704 O LYS A 45 21.014 0.664 7.711 1.00 13.21 O ATOM 705 CB LYS A 45 19.057 1.301 9.625 1.00 4.12 C ATOM 706 CG LYS A 45 19.519 0.031 10.319 1.00 73.01 C ATOM 707 CD LYS A 45 18.436 -0.536 11.221 1.00 33.42 C ATOM 708 CE LYS A 45 18.375 0.201 12.550 1.00 21.44 C ATOM 709 NZ LYS A 45 19.414 -0.283 13.501 1.00 65.42 N ATOM 0 H LYS A 45 18.760 3.712 8.796 1.00 24.25 H new ATOM 0 HA LYS A 45 20.936 2.233 10.099 1.00 53.33 H new ATOM 0 HB2 LYS A 45 18.331 1.809 10.260 1.00 4.12 H new ATOM 0 HB3 LYS A 45 18.542 1.034 8.702 1.00 4.12 H new ATOM 0 HG2 LYS A 45 19.798 -0.712 9.572 1.00 73.01 H new ATOM 0 HG3 LYS A 45 20.412 0.241 10.908 1.00 73.01 H new ATOM 0 HD2 LYS A 45 17.470 -0.466 10.720 1.00 33.42 H new ATOM 0 HD3 LYS A 45 18.627 -1.594 11.399 1.00 33.42 H new ATOM 0 HE2 LYS A 45 18.508 1.269 12.379 1.00 21.44 H new ATOM 0 HE3 LYS A 45 17.388 0.070 12.993 1.00 21.44 H new ATOM 0 HZ1 LYS A 45 19.339 0.244 14.394 1.00 65.42 H new ATOM 0 HZ2 LYS A 45 19.272 -1.297 13.684 1.00 65.42 H new ATOM 0 HZ3 LYS A 45 20.357 -0.135 13.089 1.00 65.42 H new ATOM 723 N ILE A 46 21.292 2.841 7.211 1.00 21.14 N ATOM 724 CA ILE A 46 21.956 2.577 5.941 1.00 24.42 C ATOM 725 C ILE A 46 23.415 3.021 5.981 1.00 55.34 C ATOM 726 O ILE A 46 24.265 2.463 5.286 1.00 14.24 O ATOM 727 CB ILE A 46 21.246 3.289 4.775 1.00 34.33 C ATOM 728 CG1 ILE A 46 19.787 2.836 4.686 1.00 14.31 C ATOM 729 CG2 ILE A 46 21.971 3.016 3.466 1.00 24.34 C ATOM 730 CD1 ILE A 46 19.014 3.503 3.569 1.00 3.35 C ATOM 0 H ILE A 46 21.183 3.831 7.432 1.00 21.14 H new ATOM 0 HA ILE A 46 21.910 1.500 5.779 1.00 24.42 H new ATOM 0 HB ILE A 46 21.264 4.363 4.960 1.00 34.33 H new ATOM 0 HG12 ILE A 46 19.759 1.756 4.542 1.00 14.31 H new ATOM 0 HG13 ILE A 46 19.292 3.044 5.634 1.00 14.31 H new ATOM 0 HG21 ILE A 46 21.456 3.526 2.652 1.00 24.34 H new ATOM 0 HG22 ILE A 46 22.995 3.382 3.534 1.00 24.34 H new ATOM 0 HG23 ILE A 46 21.981 1.943 3.273 1.00 24.34 H new ATOM 0 HD11 ILE A 46 17.988 3.134 3.566 1.00 3.35 H new ATOM 0 HD12 ILE A 46 19.011 4.582 3.722 1.00 3.35 H new ATOM 0 HD13 ILE A 46 19.485 3.274 2.613 1.00 3.35 H new ATOM 742 N LYS A 47 23.698 4.029 6.799 1.00 61.11 N ATOM 743 CA LYS A 47 25.054 4.548 6.933 1.00 41.12 C ATOM 744 C LYS A 47 25.800 3.838 8.058 1.00 13.44 C ATOM 745 O LYS A 47 26.890 4.254 8.451 1.00 55.02 O ATOM 746 CB LYS A 47 25.021 6.055 7.199 1.00 64.20 C ATOM 747 CG LYS A 47 24.411 6.422 8.540 1.00 1.34 C ATOM 748 CD LYS A 47 23.047 7.070 8.374 1.00 74.33 C ATOM 749 CE LYS A 47 23.168 8.552 8.057 1.00 41.33 C ATOM 750 NZ LYS A 47 23.327 8.796 6.596 1.00 11.12 N ATOM 0 H LYS A 47 23.006 4.503 7.379 1.00 61.11 H new ATOM 0 HA LYS A 47 25.582 4.362 5.998 1.00 41.12 H new ATOM 0 HB2 LYS A 47 26.037 6.446 7.152 1.00 64.20 H new ATOM 0 HB3 LYS A 47 24.455 6.543 6.406 1.00 64.20 H new ATOM 0 HG2 LYS A 47 24.317 5.527 9.155 1.00 1.34 H new ATOM 0 HG3 LYS A 47 25.077 7.104 9.069 1.00 1.34 H new ATOM 0 HD2 LYS A 47 22.500 6.570 7.575 1.00 74.33 H new ATOM 0 HD3 LYS A 47 22.467 6.939 9.288 1.00 74.33 H new ATOM 0 HE2 LYS A 47 22.282 9.074 8.418 1.00 41.33 H new ATOM 0 HE3 LYS A 47 24.023 8.969 8.590 1.00 41.33 H new ATOM 0 HZ1 LYS A 47 23.054 9.775 6.376 1.00 11.12 H new ATOM 0 HZ2 LYS A 47 24.319 8.644 6.325 1.00 11.12 H new ATOM 0 HZ3 LYS A 47 22.718 8.140 6.066 1.00 11.12 H new ATOM 764 N GLN A 48 25.206 2.766 8.572 1.00 75.04 N ATOM 765 CA GLN A 48 25.815 1.999 9.651 1.00 21.15 C ATOM 766 C GLN A 48 26.119 0.573 9.203 1.00 54.34 C ATOM 767 O GLN A 48 27.036 -0.067 9.716 1.00 21.35 O ATOM 768 CB GLN A 48 24.894 1.977 10.873 1.00 61.44 C ATOM 769 CG GLN A 48 23.489 1.484 10.566 1.00 61.21 C ATOM 770 CD GLN A 48 22.722 1.095 11.814 1.00 33.21 C ATOM 771 OE1 GLN A 48 22.754 -0.059 12.242 1.00 22.33 O ATOM 772 NE2 GLN A 48 22.025 2.058 12.406 1.00 44.33 N ATOM 0 H GLN A 48 24.303 2.409 8.258 1.00 75.04 H new ATOM 0 HA GLN A 48 26.754 2.483 9.921 1.00 21.15 H new ATOM 0 HB2 GLN A 48 25.335 1.339 11.639 1.00 61.44 H new ATOM 0 HB3 GLN A 48 24.834 2.982 11.291 1.00 61.44 H new ATOM 0 HG2 GLN A 48 22.942 2.264 10.036 1.00 61.21 H new ATOM 0 HG3 GLN A 48 23.547 0.625 9.897 1.00 61.21 H new ATOM 0 HE21 GLN A 48 22.026 3.001 12.017 1.00 44.33 H new ATOM 0 HE22 GLN A 48 21.488 1.855 13.249 1.00 44.33 H new ATOM 781 N ILE A 49 25.342 0.083 8.242 1.00 24.11 N ATOM 782 CA ILE A 49 25.529 -1.267 7.724 1.00 3.31 C ATOM 783 C ILE A 49 26.763 -1.347 6.832 1.00 62.12 C ATOM 784 O ILE A 49 27.737 -2.027 7.159 1.00 33.04 O ATOM 785 CB ILE A 49 24.300 -1.738 6.925 1.00 61.11 C ATOM 786 CG1 ILE A 49 23.046 -1.689 7.800 1.00 20.21 C ATOM 787 CG2 ILE A 49 24.524 -3.144 6.389 1.00 21.32 C ATOM 788 CD1 ILE A 49 23.147 -2.538 9.048 1.00 13.12 C ATOM 0 H ILE A 49 24.578 0.600 7.807 1.00 24.11 H new ATOM 0 HA ILE A 49 25.664 -1.920 8.586 1.00 3.31 H new ATOM 0 HB ILE A 49 24.156 -1.066 6.079 1.00 61.11 H new ATOM 0 HG12 ILE A 49 22.854 -0.655 8.088 1.00 20.21 H new ATOM 0 HG13 ILE A 49 22.190 -2.021 7.213 1.00 20.21 H new ATOM 0 HG21 ILE A 49 23.647 -3.463 5.826 1.00 21.32 H new ATOM 0 HG22 ILE A 49 25.396 -3.149 5.735 1.00 21.32 H new ATOM 0 HG23 ILE A 49 24.690 -3.828 7.221 1.00 21.32 H new ATOM 0 HD11 ILE A 49 22.223 -2.455 9.620 1.00 13.12 H new ATOM 0 HD12 ILE A 49 23.308 -3.579 8.768 1.00 13.12 H new ATOM 0 HD13 ILE A 49 23.983 -2.192 9.657 1.00 13.12 H new ATOM 800 N LEU A 50 26.717 -0.648 5.703 1.00 0.55 N ATOM 801 CA LEU A 50 27.832 -0.638 4.763 1.00 4.53 C ATOM 802 C LEU A 50 28.869 0.409 5.159 1.00 12.30 C ATOM 803 O LEU A 50 30.071 0.149 5.132 1.00 32.20 O ATOM 804 CB LEU A 50 27.328 -0.362 3.346 1.00 52.22 C ATOM 805 CG LEU A 50 26.005 -1.027 2.963 1.00 64.12 C ATOM 806 CD1 LEU A 50 25.486 -0.465 1.649 1.00 51.13 C ATOM 807 CD2 LEU A 50 26.175 -2.536 2.869 1.00 21.44 C ATOM 0 H LEU A 50 25.919 -0.081 5.417 1.00 0.55 H new ATOM 0 HA LEU A 50 28.305 -1.620 4.789 1.00 4.53 H new ATOM 0 HB2 LEU A 50 27.219 0.716 3.224 1.00 52.22 H new ATOM 0 HB3 LEU A 50 28.093 -0.687 2.640 1.00 52.22 H new ATOM 0 HG LEU A 50 25.273 -0.811 3.741 1.00 64.12 H new ATOM 0 HD11 LEU A 50 24.544 -0.950 1.393 1.00 51.13 H new ATOM 0 HD12 LEU A 50 25.326 0.608 1.750 1.00 51.13 H new ATOM 0 HD13 LEU A 50 26.216 -0.650 0.861 1.00 51.13 H new ATOM 0 HD21 LEU A 50 25.224 -2.993 2.596 1.00 21.44 H new ATOM 0 HD22 LEU A 50 26.922 -2.771 2.111 1.00 21.44 H new ATOM 0 HD23 LEU A 50 26.501 -2.926 3.833 1.00 21.44 H new ATOM 819 N GLY A 51 28.394 1.595 5.529 1.00 72.03 N ATOM 820 CA GLY A 51 29.292 2.663 5.927 1.00 63.30 C ATOM 821 C GLY A 51 29.359 3.777 4.901 1.00 22.05 C ATOM 822 O GLY A 51 30.434 4.307 4.621 1.00 45.32 O ATOM 0 H GLY A 51 27.403 1.835 5.560 1.00 72.03 H new ATOM 0 HA2 GLY A 51 28.964 3.072 6.882 1.00 63.30 H new ATOM 0 HA3 GLY A 51 30.291 2.255 6.081 1.00 63.30 H new ATOM 826 N ILE A 52 28.208 4.132 4.340 1.00 65.22 N ATOM 827 CA ILE A 52 28.142 5.190 3.339 1.00 35.43 C ATOM 828 C ILE A 52 28.549 6.534 3.933 1.00 51.04 C ATOM 829 O ILE A 52 28.262 6.826 5.094 1.00 61.52 O ATOM 830 CB ILE A 52 26.727 5.312 2.743 1.00 32.10 C ATOM 831 CG1 ILE A 52 26.736 6.260 1.542 1.00 20.20 C ATOM 832 CG2 ILE A 52 25.747 5.797 3.800 1.00 15.34 C ATOM 833 CD1 ILE A 52 27.610 5.784 0.403 1.00 22.41 C ATOM 0 H ILE A 52 27.309 3.703 4.561 1.00 65.22 H new ATOM 0 HA ILE A 52 28.840 4.920 2.546 1.00 35.43 H new ATOM 0 HB ILE A 52 26.406 4.328 2.403 1.00 32.10 H new ATOM 0 HG12 ILE A 52 25.716 6.383 1.179 1.00 20.20 H new ATOM 0 HG13 ILE A 52 27.080 7.242 1.867 1.00 20.20 H new ATOM 0 HG21 ILE A 52 24.752 5.878 3.363 1.00 15.34 H new ATOM 0 HG22 ILE A 52 25.724 5.088 4.627 1.00 15.34 H new ATOM 0 HG23 ILE A 52 26.062 6.773 4.168 1.00 15.34 H new ATOM 0 HD11 ILE A 52 27.568 6.505 -0.414 1.00 22.41 H new ATOM 0 HD12 ILE A 52 28.639 5.688 0.750 1.00 22.41 H new ATOM 0 HD13 ILE A 52 27.254 4.816 0.051 1.00 22.41 H new ATOM 845 N LYS A 53 29.218 7.352 3.127 1.00 64.51 N ATOM 846 CA LYS A 53 29.663 8.668 3.569 1.00 24.45 C ATOM 847 C LYS A 53 28.994 9.770 2.755 1.00 4.42 C ATOM 848 O LYS A 53 29.307 10.950 2.916 1.00 50.52 O ATOM 849 CB LYS A 53 31.185 8.781 3.449 1.00 52.41 C ATOM 850 CG LYS A 53 31.776 9.918 4.265 1.00 62.22 C ATOM 851 CD LYS A 53 33.293 9.934 4.181 1.00 63.12 C ATOM 852 CE LYS A 53 33.893 10.957 5.133 1.00 25.22 C ATOM 853 NZ LYS A 53 35.243 11.403 4.689 1.00 21.13 N ATOM 0 H LYS A 53 29.464 7.126 2.163 1.00 64.51 H new ATOM 0 HA LYS A 53 29.377 8.789 4.614 1.00 24.45 H new ATOM 0 HB2 LYS A 53 31.637 7.842 3.769 1.00 52.41 H new ATOM 0 HB3 LYS A 53 31.449 8.921 2.401 1.00 52.41 H new ATOM 0 HG2 LYS A 53 31.381 10.868 3.906 1.00 62.22 H new ATOM 0 HG3 LYS A 53 31.469 9.818 5.306 1.00 62.22 H new ATOM 0 HD2 LYS A 53 33.682 8.944 4.417 1.00 63.12 H new ATOM 0 HD3 LYS A 53 33.600 10.162 3.160 1.00 63.12 H new ATOM 0 HE2 LYS A 53 33.231 11.820 5.204 1.00 25.22 H new ATOM 0 HE3 LYS A 53 33.963 10.526 6.132 1.00 25.22 H new ATOM 0 HZ1 LYS A 53 35.618 12.100 5.364 1.00 21.13 H new ATOM 0 HZ2 LYS A 53 35.882 10.584 4.646 1.00 21.13 H new ATOM 0 HZ3 LYS A 53 35.173 11.837 3.747 1.00 21.13 H new