USER MOD reduce.3.24.130724 H: found=0, std=0, add=305, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 308 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 29 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0701) USER MOD Single : A 30 LYS NZ :NH3+ -154:sc= -0.0691 (180deg=-1.04) USER MOD Single : A 33 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0414) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.047) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 26 4.111 0.204 -0.248 1.00 13.00 N ATOM 2 CA GLY A 26 3.101 -0.211 -1.260 1.00 45.03 C ATOM 3 C GLY A 26 3.376 -1.591 -1.823 1.00 65.30 C ATOM 4 O GLY A 26 4.434 -2.170 -1.574 1.00 33.52 O ATOM 0 HA2 GLY A 26 2.110 -0.198 -0.806 1.00 45.03 H new ATOM 0 HA3 GLY A 26 3.088 0.514 -2.074 1.00 45.03 H new ATOM 10 N GLY A 27 2.424 -2.121 -2.583 1.00 50.30 N ATOM 11 CA GLY A 27 2.590 -3.437 -3.171 1.00 62.42 C ATOM 12 C GLY A 27 3.596 -3.447 -4.307 1.00 21.23 C ATOM 13 O GLY A 27 4.151 -4.494 -4.640 1.00 33.03 O ATOM 0 H GLY A 27 1.540 -1.662 -2.802 1.00 50.30 H new ATOM 0 HA2 GLY A 27 2.911 -4.137 -2.400 1.00 62.42 H new ATOM 0 HA3 GLY A 27 1.627 -3.790 -3.540 1.00 62.42 H new ATOM 17 N LEU A 28 3.834 -2.280 -4.902 1.00 30.21 N ATOM 18 CA LEU A 28 4.784 -2.166 -6.006 1.00 0.55 C ATOM 19 C LEU A 28 6.141 -2.711 -5.590 1.00 70.43 C ATOM 20 O LEU A 28 6.633 -3.686 -6.159 1.00 61.55 O ATOM 21 CB LEU A 28 4.916 -0.706 -6.453 1.00 32.02 C ATOM 22 CG LEU A 28 3.602 0.079 -6.554 1.00 75.43 C ATOM 23 CD1 LEU A 28 2.428 -0.850 -6.838 1.00 42.14 C ATOM 24 CD2 LEU A 28 3.358 0.876 -5.281 1.00 24.24 C ATOM 0 H LEU A 28 3.384 -1.403 -4.639 1.00 30.21 H new ATOM 0 HA LEU A 28 4.410 -2.753 -6.845 1.00 0.55 H new ATOM 0 HB2 LEU A 28 5.574 -0.189 -5.754 1.00 32.02 H new ATOM 0 HB3 LEU A 28 5.406 -0.686 -7.427 1.00 32.02 H new ATOM 0 HG LEU A 28 3.688 0.775 -7.388 1.00 75.43 H new ATOM 0 HD11 LEU A 28 1.510 -0.266 -6.904 1.00 42.14 H new ATOM 0 HD12 LEU A 28 2.596 -1.371 -7.781 1.00 42.14 H new ATOM 0 HD13 LEU A 28 2.337 -1.578 -6.032 1.00 42.14 H new ATOM 0 HD21 LEU A 28 2.422 1.427 -5.370 1.00 24.24 H new ATOM 0 HD22 LEU A 28 3.299 0.196 -4.431 1.00 24.24 H new ATOM 0 HD23 LEU A 28 4.178 1.577 -5.128 1.00 24.24 H new ATOM 36 N LYS A 29 6.726 -2.094 -4.572 1.00 60.23 N ATOM 37 CA LYS A 29 8.010 -2.537 -4.056 1.00 74.20 C ATOM 38 C LYS A 29 7.883 -3.956 -3.508 1.00 73.53 C ATOM 39 O LYS A 29 8.866 -4.690 -3.416 1.00 2.21 O ATOM 40 CB LYS A 29 8.503 -1.587 -2.961 1.00 30.41 C ATOM 41 CG LYS A 29 9.707 -0.755 -3.374 1.00 3.51 C ATOM 42 CD LYS A 29 10.941 -1.110 -2.559 1.00 65.15 C ATOM 43 CE LYS A 29 11.225 -0.066 -1.491 1.00 74.52 C ATOM 44 NZ LYS A 29 11.731 1.205 -2.078 1.00 41.21 N ATOM 0 H LYS A 29 6.331 -1.287 -4.089 1.00 60.23 H new ATOM 0 HA LYS A 29 8.738 -2.532 -4.867 1.00 74.20 H new ATOM 0 HB2 LYS A 29 7.690 -0.919 -2.678 1.00 30.41 H new ATOM 0 HB3 LYS A 29 8.760 -2.169 -2.076 1.00 30.41 H new ATOM 0 HG2 LYS A 29 9.912 -0.912 -4.433 1.00 3.51 H new ATOM 0 HG3 LYS A 29 9.479 0.303 -3.247 1.00 3.51 H new ATOM 0 HD2 LYS A 29 10.800 -2.083 -2.089 1.00 65.15 H new ATOM 0 HD3 LYS A 29 11.802 -1.198 -3.221 1.00 65.15 H new ATOM 0 HE2 LYS A 29 10.314 0.132 -0.926 1.00 74.52 H new ATOM 0 HE3 LYS A 29 11.958 -0.458 -0.786 1.00 74.52 H new ATOM 0 HZ1 LYS A 29 12.164 1.785 -1.331 1.00 41.21 H new ATOM 0 HZ2 LYS A 29 12.442 0.992 -2.806 1.00 41.21 H new ATOM 0 HZ3 LYS A 29 10.941 1.728 -2.508 1.00 41.21 H new ATOM 58 N LYS A 30 6.656 -4.330 -3.145 1.00 53.00 N ATOM 59 CA LYS A 30 6.385 -5.656 -2.605 1.00 14.30 C ATOM 60 C LYS A 30 6.567 -6.728 -3.675 1.00 61.22 C ATOM 61 O LYS A 30 7.067 -7.818 -3.398 1.00 63.05 O ATOM 62 CB LYS A 30 4.962 -5.716 -2.044 1.00 54.04 C ATOM 63 CG LYS A 30 4.829 -6.599 -0.813 1.00 74.14 C ATOM 64 CD LYS A 30 3.971 -5.941 0.256 1.00 60.50 C ATOM 65 CE LYS A 30 2.537 -6.442 0.207 1.00 23.11 C ATOM 66 NZ LYS A 30 1.644 -5.498 -0.520 1.00 14.22 N ATOM 0 H LYS A 30 5.835 -3.730 -3.217 1.00 53.00 H new ATOM 0 HA LYS A 30 7.096 -5.847 -1.801 1.00 14.30 H new ATOM 0 HB2 LYS A 30 4.636 -4.706 -1.793 1.00 54.04 H new ATOM 0 HB3 LYS A 30 4.290 -6.084 -2.819 1.00 54.04 H new ATOM 0 HG2 LYS A 30 4.389 -7.555 -1.096 1.00 74.14 H new ATOM 0 HG3 LYS A 30 5.818 -6.811 -0.407 1.00 74.14 H new ATOM 0 HD2 LYS A 30 4.395 -6.144 1.240 1.00 60.50 H new ATOM 0 HD3 LYS A 30 3.984 -4.860 0.120 1.00 60.50 H new ATOM 0 HE2 LYS A 30 2.509 -7.416 -0.281 1.00 23.11 H new ATOM 0 HE3 LYS A 30 2.167 -6.583 1.222 1.00 23.11 H new ATOM 0 HZ1 LYS A 30 0.668 -5.611 -0.179 1.00 14.22 H new ATOM 0 HZ2 LYS A 30 1.959 -4.522 -0.351 1.00 14.22 H new ATOM 0 HZ3 LYS A 30 1.680 -5.701 -1.539 1.00 14.22 H new ATOM 80 N LEU A 31 6.155 -6.411 -4.898 1.00 33.13 N ATOM 81 CA LEU A 31 6.270 -7.346 -6.012 1.00 51.51 C ATOM 82 C LEU A 31 7.693 -7.366 -6.562 1.00 11.24 C ATOM 83 O LEU A 31 8.198 -8.414 -6.965 1.00 40.42 O ATOM 84 CB LEU A 31 5.285 -6.972 -7.121 1.00 63.00 C ATOM 85 CG LEU A 31 5.393 -7.810 -8.396 1.00 10.23 C ATOM 86 CD1 LEU A 31 5.079 -9.269 -8.106 1.00 43.04 C ATOM 87 CD2 LEU A 31 4.461 -7.266 -9.470 1.00 14.24 C ATOM 0 H LEU A 31 5.738 -5.513 -5.143 1.00 33.13 H new ATOM 0 HA LEU A 31 6.030 -8.343 -5.644 1.00 51.51 H new ATOM 0 HB2 LEU A 31 4.271 -7.062 -6.731 1.00 63.00 H new ATOM 0 HB3 LEU A 31 5.435 -5.924 -7.380 1.00 63.00 H new ATOM 0 HG LEU A 31 6.417 -7.747 -8.763 1.00 10.23 H new ATOM 0 HD11 LEU A 31 5.161 -9.849 -9.025 1.00 43.04 H new ATOM 0 HD12 LEU A 31 5.785 -9.654 -7.370 1.00 43.04 H new ATOM 0 HD13 LEU A 31 4.065 -9.352 -7.714 1.00 43.04 H new ATOM 0 HD21 LEU A 31 4.550 -7.873 -10.371 1.00 14.24 H new ATOM 0 HD22 LEU A 31 3.433 -7.299 -9.110 1.00 14.24 H new ATOM 0 HD23 LEU A 31 4.732 -6.235 -9.699 1.00 14.24 H new ATOM 99 N GLY A 32 8.332 -6.201 -6.578 1.00 33.20 N ATOM 100 CA GLY A 32 9.689 -6.106 -7.084 1.00 30.22 C ATOM 101 C GLY A 32 10.691 -6.823 -6.200 1.00 11.33 C ATOM 102 O GLY A 32 11.409 -7.713 -6.658 1.00 42.00 O ATOM 0 H GLY A 32 7.935 -5.321 -6.250 1.00 33.20 H new ATOM 0 HA2 GLY A 32 9.729 -6.527 -8.088 1.00 30.22 H new ATOM 0 HA3 GLY A 32 9.969 -5.056 -7.168 1.00 30.22 H new ATOM 106 N LYS A 33 10.743 -6.434 -4.931 1.00 43.01 N ATOM 107 CA LYS A 33 11.667 -7.043 -3.979 1.00 34.35 C ATOM 108 C LYS A 33 11.424 -8.546 -3.862 1.00 20.35 C ATOM 109 O LYS A 33 12.327 -9.304 -3.510 1.00 62.44 O ATOM 110 CB LYS A 33 11.527 -6.382 -2.605 1.00 23.41 C ATOM 111 CG LYS A 33 12.651 -5.410 -2.282 1.00 1.22 C ATOM 112 CD LYS A 33 12.624 -4.200 -3.202 1.00 61.55 C ATOM 113 CE LYS A 33 14.026 -3.785 -3.620 1.00 22.43 C ATOM 114 NZ LYS A 33 14.004 -2.684 -4.622 1.00 20.21 N ATOM 0 H LYS A 33 10.156 -5.699 -4.537 1.00 43.01 H new ATOM 0 HA LYS A 33 12.681 -6.888 -4.348 1.00 34.35 H new ATOM 0 HB2 LYS A 33 10.575 -5.852 -2.561 1.00 23.41 H new ATOM 0 HB3 LYS A 33 11.496 -7.157 -1.839 1.00 23.41 H new ATOM 0 HG2 LYS A 33 12.564 -5.083 -1.246 1.00 1.22 H new ATOM 0 HG3 LYS A 33 13.611 -5.918 -2.376 1.00 1.22 H new ATOM 0 HD2 LYS A 33 12.032 -4.429 -4.088 1.00 61.55 H new ATOM 0 HD3 LYS A 33 12.133 -3.368 -2.697 1.00 61.55 H new ATOM 0 HE2 LYS A 33 14.587 -3.465 -2.742 1.00 22.43 H new ATOM 0 HE3 LYS A 33 14.550 -4.645 -4.037 1.00 22.43 H new ATOM 0 HZ1 LYS A 33 14.969 -2.511 -4.969 1.00 20.21 H new ATOM 0 HZ2 LYS A 33 13.392 -2.952 -5.419 1.00 20.21 H new ATOM 0 HZ3 LYS A 33 13.635 -1.819 -4.179 1.00 20.21 H new ATOM 128 N LYS A 34 10.200 -8.971 -4.159 1.00 55.33 N ATOM 129 CA LYS A 34 9.843 -10.383 -4.085 1.00 3.44 C ATOM 130 C LYS A 34 10.618 -11.193 -5.118 1.00 62.13 C ATOM 131 O LYS A 34 11.354 -12.118 -4.774 1.00 63.10 O ATOM 132 CB LYS A 34 8.340 -10.562 -4.307 1.00 40.04 C ATOM 133 CG LYS A 34 7.859 -11.989 -4.105 1.00 45.31 C ATOM 134 CD LYS A 34 8.051 -12.444 -2.667 1.00 43.22 C ATOM 135 CE LYS A 34 7.138 -11.690 -1.714 1.00 32.25 C ATOM 136 NZ LYS A 34 7.872 -11.193 -0.517 1.00 2.55 N ATOM 0 H LYS A 34 9.439 -8.358 -4.453 1.00 55.33 H new ATOM 0 HA LYS A 34 10.104 -10.747 -3.091 1.00 3.44 H new ATOM 0 HB2 LYS A 34 7.800 -9.906 -3.624 1.00 40.04 H new ATOM 0 HB3 LYS A 34 8.091 -10.244 -5.319 1.00 40.04 H new ATOM 0 HG2 LYS A 34 6.805 -12.060 -4.372 1.00 45.31 H new ATOM 0 HG3 LYS A 34 8.403 -12.656 -4.774 1.00 45.31 H new ATOM 0 HD2 LYS A 34 7.851 -13.513 -2.593 1.00 43.22 H new ATOM 0 HD3 LYS A 34 9.090 -12.293 -2.373 1.00 43.22 H new ATOM 0 HE2 LYS A 34 6.684 -10.848 -2.237 1.00 32.25 H new ATOM 0 HE3 LYS A 34 6.326 -12.344 -1.396 1.00 32.25 H new ATOM 0 HZ1 LYS A 34 7.214 -10.685 0.107 1.00 2.55 H new ATOM 0 HZ2 LYS A 34 8.284 -11.998 -0.004 1.00 2.55 H new ATOM 0 HZ3 LYS A 34 8.631 -10.549 -0.818 1.00 2.55 H new ATOM 150 N LEU A 35 10.445 -10.838 -6.385 1.00 14.14 N ATOM 151 CA LEU A 35 11.126 -11.528 -7.476 1.00 62.03 C ATOM 152 C LEU A 35 12.623 -11.241 -7.454 1.00 34.42 C ATOM 153 O LEU A 35 13.443 -12.149 -7.587 1.00 23.15 O ATOM 154 CB LEU A 35 10.538 -11.103 -8.823 1.00 72.35 C ATOM 155 CG LEU A 35 10.675 -12.128 -9.954 1.00 60.24 C ATOM 156 CD1 LEU A 35 10.401 -11.472 -11.297 1.00 40.24 C ATOM 157 CD2 LEU A 35 12.058 -12.765 -9.947 1.00 72.02 C ATOM 0 H LEU A 35 9.838 -10.075 -6.684 1.00 14.14 H new ATOM 0 HA LEU A 35 10.976 -12.599 -7.341 1.00 62.03 H new ATOM 0 HB2 LEU A 35 9.480 -10.880 -8.684 1.00 72.35 H new ATOM 0 HB3 LEU A 35 11.021 -10.177 -9.135 1.00 72.35 H new ATOM 0 HG LEU A 35 9.938 -12.915 -9.791 1.00 60.24 H new ATOM 0 HD11 LEU A 35 10.502 -12.212 -12.091 1.00 40.24 H new ATOM 0 HD12 LEU A 35 9.389 -11.068 -11.305 1.00 40.24 H new ATOM 0 HD13 LEU A 35 11.115 -10.665 -11.460 1.00 40.24 H new ATOM 0 HD21 LEU A 35 12.129 -13.489 -10.759 1.00 72.02 H new ATOM 0 HD22 LEU A 35 12.815 -11.992 -10.082 1.00 72.02 H new ATOM 0 HD23 LEU A 35 12.221 -13.271 -8.995 1.00 72.02 H new ATOM 169 N GLU A 36 12.973 -9.969 -7.292 1.00 1.05 N ATOM 170 CA GLU A 36 14.372 -9.555 -7.260 1.00 23.42 C ATOM 171 C GLU A 36 15.148 -10.330 -6.199 1.00 32.14 C ATOM 172 O GLU A 36 16.303 -10.703 -6.411 1.00 44.41 O ATOM 173 CB GLU A 36 14.475 -8.054 -6.990 1.00 74.50 C ATOM 174 CG GLU A 36 14.494 -7.208 -8.253 1.00 64.32 C ATOM 175 CD GLU A 36 15.896 -6.793 -8.655 1.00 43.55 C ATOM 176 OE1 GLU A 36 16.547 -6.070 -7.873 1.00 11.44 O ATOM 177 OE2 GLU A 36 16.341 -7.190 -9.752 1.00 11.31 O ATOM 0 H GLU A 36 12.306 -9.205 -7.181 1.00 1.05 H new ATOM 0 HA GLU A 36 14.810 -9.773 -8.234 1.00 23.42 H new ATOM 0 HB2 GLU A 36 13.633 -7.746 -6.369 1.00 74.50 H new ATOM 0 HB3 GLU A 36 15.382 -7.858 -6.418 1.00 74.50 H new ATOM 0 HG2 GLU A 36 14.037 -7.769 -9.068 1.00 64.32 H new ATOM 0 HG3 GLU A 36 13.885 -6.317 -8.098 1.00 64.32 H new ATOM 184 N GLY A 37 14.509 -10.569 -5.060 1.00 0.23 N ATOM 185 CA GLY A 37 15.157 -11.299 -3.985 1.00 52.21 C ATOM 186 C GLY A 37 15.615 -12.678 -4.417 1.00 54.32 C ATOM 187 O GLY A 37 16.720 -13.105 -4.080 1.00 44.15 O ATOM 0 H GLY A 37 13.554 -10.271 -4.861 1.00 0.23 H new ATOM 0 HA2 GLY A 37 16.015 -10.729 -3.628 1.00 52.21 H new ATOM 0 HA3 GLY A 37 14.467 -11.394 -3.147 1.00 52.21 H new ATOM 191 N ALA A 38 14.766 -13.372 -5.167 1.00 50.21 N ATOM 192 CA ALA A 38 15.091 -14.709 -5.648 1.00 73.12 C ATOM 193 C ALA A 38 16.246 -14.662 -6.642 1.00 2.05 C ATOM 194 O ALA A 38 17.162 -15.481 -6.585 1.00 71.13 O ATOM 195 CB ALA A 38 13.868 -15.353 -6.284 1.00 35.13 C ATOM 0 H ALA A 38 13.849 -13.031 -5.455 1.00 50.21 H new ATOM 0 HA ALA A 38 15.401 -15.314 -4.796 1.00 73.12 H new ATOM 0 HB1 ALA A 38 14.125 -16.351 -6.639 1.00 35.13 H new ATOM 0 HB2 ALA A 38 13.069 -15.425 -5.546 1.00 35.13 H new ATOM 0 HB3 ALA A 38 13.532 -14.745 -7.124 1.00 35.13 H new ATOM 201 N GLY A 39 16.193 -13.693 -7.550 1.00 31.43 N ATOM 202 CA GLY A 39 17.237 -13.545 -8.547 1.00 33.51 C ATOM 203 C GLY A 39 18.618 -13.437 -7.933 1.00 75.21 C ATOM 204 O GLY A 39 19.590 -13.948 -8.488 1.00 25.24 O ATOM 0 H GLY A 39 15.442 -13.005 -7.613 1.00 31.43 H new ATOM 0 HA2 GLY A 39 17.211 -14.398 -9.225 1.00 33.51 H new ATOM 0 HA3 GLY A 39 17.039 -12.656 -9.146 1.00 33.51 H new ATOM 208 N LYS A 40 18.709 -12.777 -6.782 1.00 23.12 N ATOM 209 CA LYS A 40 19.990 -12.615 -6.100 1.00 14.02 C ATOM 210 C LYS A 40 20.554 -13.973 -5.708 1.00 4.41 C ATOM 211 O LYS A 40 21.760 -14.191 -5.765 1.00 42.22 O ATOM 212 CB LYS A 40 19.844 -11.734 -4.856 1.00 71.42 C ATOM 213 CG LYS A 40 18.871 -10.576 -5.030 1.00 3.43 C ATOM 214 CD LYS A 40 19.521 -9.243 -4.694 1.00 0.15 C ATOM 215 CE LYS A 40 18.504 -8.244 -4.166 1.00 22.13 C ATOM 216 NZ LYS A 40 18.869 -6.843 -4.517 1.00 3.23 N ATOM 0 H LYS A 40 17.917 -12.348 -6.304 1.00 23.12 H new ATOM 0 HA LYS A 40 20.678 -12.126 -6.789 1.00 14.02 H new ATOM 0 HB2 LYS A 40 19.512 -12.352 -4.022 1.00 71.42 H new ATOM 0 HB3 LYS A 40 20.823 -11.336 -4.588 1.00 71.42 H new ATOM 0 HG2 LYS A 40 18.509 -10.556 -6.058 1.00 3.43 H new ATOM 0 HG3 LYS A 40 18.003 -10.730 -4.389 1.00 3.43 H new ATOM 0 HD2 LYS A 40 20.303 -9.396 -3.950 1.00 0.15 H new ATOM 0 HD3 LYS A 40 20.003 -8.837 -5.584 1.00 0.15 H new ATOM 0 HE2 LYS A 40 17.521 -8.476 -4.575 1.00 22.13 H new ATOM 0 HE3 LYS A 40 18.430 -8.339 -3.083 1.00 22.13 H new ATOM 0 HZ1 LYS A 40 18.151 -6.192 -4.139 1.00 3.23 H new ATOM 0 HZ2 LYS A 40 19.796 -6.612 -4.106 1.00 3.23 H new ATOM 0 HZ3 LYS A 40 18.915 -6.745 -5.551 1.00 3.23 H new ATOM 230 N ARG A 41 19.671 -14.885 -5.318 1.00 14.11 N ATOM 231 CA ARG A 41 20.079 -16.231 -4.931 1.00 54.24 C ATOM 232 C ARG A 41 20.274 -17.098 -6.171 1.00 62.41 C ATOM 233 O ARG A 41 21.316 -17.727 -6.353 1.00 21.14 O ATOM 234 CB ARG A 41 19.027 -16.865 -4.014 1.00 1.22 C ATOM 235 CG ARG A 41 19.241 -18.353 -3.764 1.00 11.55 C ATOM 236 CD ARG A 41 18.659 -19.204 -4.887 1.00 32.03 C ATOM 237 NE ARG A 41 18.235 -20.519 -4.412 1.00 41.33 N ATOM 238 CZ ARG A 41 17.987 -21.552 -5.214 1.00 43.41 C ATOM 239 NH1 ARG A 41 18.111 -21.424 -6.530 1.00 21.11 N ATOM 240 NH2 ARG A 41 17.611 -22.715 -4.700 1.00 33.42 N ATOM 0 H ARG A 41 18.667 -14.717 -5.261 1.00 14.11 H new ATOM 0 HA ARG A 41 21.023 -16.164 -4.390 1.00 54.24 H new ATOM 0 HB2 ARG A 41 19.030 -16.342 -3.058 1.00 1.22 H new ATOM 0 HB3 ARG A 41 18.040 -16.719 -4.454 1.00 1.22 H new ATOM 0 HG2 ARG A 41 20.308 -18.556 -3.669 1.00 11.55 H new ATOM 0 HG3 ARG A 41 18.778 -18.633 -2.818 1.00 11.55 H new ATOM 0 HD2 ARG A 41 17.808 -18.687 -5.330 1.00 32.03 H new ATOM 0 HD3 ARG A 41 19.404 -19.325 -5.674 1.00 32.03 H new ATOM 0 HE ARG A 41 18.122 -20.653 -3.407 1.00 41.33 H new ATOM 0 HH11 ARG A 41 18.398 -20.531 -6.931 1.00 21.11 H new ATOM 0 HH12 ARG A 41 17.920 -22.219 -7.140 1.00 21.11 H new ATOM 0 HH21 ARG A 41 17.512 -22.818 -3.690 1.00 33.42 H new ATOM 0 HH22 ARG A 41 17.421 -23.507 -5.315 1.00 33.42 H new ATOM 254 N VAL A 42 19.245 -17.126 -7.009 1.00 62.52 N ATOM 255 CA VAL A 42 19.258 -17.913 -8.236 1.00 51.31 C ATOM 256 C VAL A 42 20.431 -17.547 -9.131 1.00 24.11 C ATOM 257 O VAL A 42 20.853 -18.345 -9.967 1.00 63.22 O ATOM 258 CB VAL A 42 17.954 -17.720 -9.024 1.00 70.31 C ATOM 259 CG1 VAL A 42 17.863 -18.717 -10.169 1.00 65.54 C ATOM 260 CG2 VAL A 42 16.758 -17.840 -8.098 1.00 21.34 C ATOM 0 H VAL A 42 18.381 -16.606 -6.858 1.00 62.52 H new ATOM 0 HA VAL A 42 19.357 -18.956 -7.937 1.00 51.31 H new ATOM 0 HB VAL A 42 17.953 -16.719 -9.455 1.00 70.31 H new ATOM 0 HG11 VAL A 42 16.931 -18.562 -10.713 1.00 65.54 H new ATOM 0 HG12 VAL A 42 18.706 -18.573 -10.845 1.00 65.54 H new ATOM 0 HG13 VAL A 42 17.886 -19.731 -9.771 1.00 65.54 H new ATOM 0 HG21 VAL A 42 15.840 -17.701 -8.669 1.00 21.34 H new ATOM 0 HG22 VAL A 42 16.753 -18.828 -7.637 1.00 21.34 H new ATOM 0 HG23 VAL A 42 16.821 -17.078 -7.322 1.00 21.34 H new ATOM 270 N PHE A 43 20.957 -16.340 -8.959 1.00 51.04 N ATOM 271 CA PHE A 43 22.083 -15.888 -9.763 1.00 45.01 C ATOM 272 C PHE A 43 23.195 -16.937 -9.767 1.00 75.23 C ATOM 273 O PHE A 43 23.957 -17.042 -10.725 1.00 22.14 O ATOM 274 CB PHE A 43 22.601 -14.540 -9.244 1.00 11.43 C ATOM 275 CG PHE A 43 23.672 -14.651 -8.197 1.00 61.41 C ATOM 276 CD1 PHE A 43 23.494 -15.461 -7.089 1.00 53.14 C ATOM 277 CD2 PHE A 43 24.851 -13.940 -8.324 1.00 75.14 C ATOM 278 CE1 PHE A 43 24.476 -15.560 -6.122 1.00 13.24 C ATOM 279 CE2 PHE A 43 25.837 -14.033 -7.361 1.00 23.33 C ATOM 280 CZ PHE A 43 25.650 -14.845 -6.257 1.00 62.11 C ATOM 0 H PHE A 43 20.624 -15.661 -8.274 1.00 51.04 H new ATOM 0 HA PHE A 43 21.746 -15.751 -10.790 1.00 45.01 H new ATOM 0 HB2 PHE A 43 22.989 -13.965 -10.085 1.00 11.43 H new ATOM 0 HB3 PHE A 43 21.764 -13.976 -8.832 1.00 11.43 H new ATOM 0 HD1 PHE A 43 22.578 -16.022 -6.979 1.00 53.14 H new ATOM 0 HD2 PHE A 43 25.003 -13.306 -9.185 1.00 75.14 H new ATOM 0 HE1 PHE A 43 24.326 -16.196 -5.262 1.00 13.24 H new ATOM 0 HE2 PHE A 43 26.753 -13.472 -7.470 1.00 23.33 H new ATOM 0 HZ PHE A 43 26.420 -14.920 -5.503 1.00 62.11 H new ATOM 290 N LYS A 44 23.263 -17.725 -8.696 1.00 41.22 N ATOM 291 CA LYS A 44 24.262 -18.779 -8.584 1.00 41.13 C ATOM 292 C LYS A 44 23.843 -19.977 -9.423 1.00 4.13 C ATOM 293 O LYS A 44 24.679 -20.673 -10.001 1.00 33.55 O ATOM 294 CB LYS A 44 24.441 -19.194 -7.121 1.00 53.42 C ATOM 295 CG LYS A 44 25.763 -18.745 -6.519 1.00 13.14 C ATOM 296 CD LYS A 44 25.953 -19.303 -5.118 1.00 65.32 C ATOM 297 CE LYS A 44 27.120 -18.638 -4.406 1.00 63.34 C ATOM 298 NZ LYS A 44 27.312 -19.179 -3.033 1.00 64.32 N ATOM 0 H LYS A 44 22.637 -17.651 -7.894 1.00 41.22 H new ATOM 0 HA LYS A 44 25.215 -18.401 -8.953 1.00 41.13 H new ATOM 0 HB2 LYS A 44 23.623 -18.779 -6.532 1.00 53.42 H new ATOM 0 HB3 LYS A 44 24.368 -20.279 -7.048 1.00 53.42 H new ATOM 0 HG2 LYS A 44 26.584 -19.072 -7.157 1.00 13.14 H new ATOM 0 HG3 LYS A 44 25.798 -17.656 -6.486 1.00 13.14 H new ATOM 0 HD2 LYS A 44 25.041 -19.155 -4.540 1.00 65.32 H new ATOM 0 HD3 LYS A 44 26.124 -20.378 -5.174 1.00 65.32 H new ATOM 0 HE2 LYS A 44 28.031 -18.786 -4.986 1.00 63.34 H new ATOM 0 HE3 LYS A 44 26.948 -17.563 -4.352 1.00 63.34 H new ATOM 0 HZ1 LYS A 44 28.117 -18.700 -2.581 1.00 64.32 H new ATOM 0 HZ2 LYS A 44 26.452 -19.015 -2.472 1.00 64.32 H new ATOM 0 HZ3 LYS A 44 27.502 -20.200 -3.086 1.00 64.32 H new ATOM 312 N ALA A 45 22.535 -20.197 -9.495 1.00 40.34 N ATOM 313 CA ALA A 45 21.982 -21.293 -10.271 1.00 72.44 C ATOM 314 C ALA A 45 22.036 -20.966 -11.759 1.00 41.53 C ATOM 315 O ALA A 45 22.215 -21.851 -12.597 1.00 30.12 O ATOM 316 CB ALA A 45 20.549 -21.569 -9.835 1.00 53.15 C ATOM 0 H ALA A 45 21.836 -19.625 -9.021 1.00 40.34 H new ATOM 0 HA ALA A 45 22.578 -22.188 -10.094 1.00 72.44 H new ATOM 0 HB1 ALA A 45 20.142 -22.392 -10.422 1.00 53.15 H new ATOM 0 HB2 ALA A 45 20.535 -21.835 -8.778 1.00 53.15 H new ATOM 0 HB3 ALA A 45 19.943 -20.677 -9.992 1.00 53.15 H new ATOM 322 N SER A 46 21.885 -19.683 -12.076 1.00 63.34 N ATOM 323 CA SER A 46 21.919 -19.222 -13.459 1.00 72.52 C ATOM 324 C SER A 46 23.352 -18.968 -13.919 1.00 2.35 C ATOM 325 O SER A 46 23.754 -19.408 -14.996 1.00 53.22 O ATOM 326 CB SER A 46 21.088 -17.946 -13.612 1.00 24.13 C ATOM 327 OG SER A 46 20.364 -17.953 -14.831 1.00 4.24 O ATOM 0 H SER A 46 21.737 -18.942 -11.390 1.00 63.34 H new ATOM 0 HA SER A 46 21.492 -20.005 -14.085 1.00 72.52 H new ATOM 0 HB2 SER A 46 20.396 -17.856 -12.775 1.00 24.13 H new ATOM 0 HB3 SER A 46 21.743 -17.075 -13.579 1.00 24.13 H new ATOM 0 HG SER A 46 19.840 -17.128 -14.905 1.00 4.24 H new ATOM 333 N GLU A 47 24.121 -18.251 -13.100 1.00 11.14 N ATOM 334 CA GLU A 47 25.509 -17.939 -13.434 1.00 63.50 C ATOM 335 C GLU A 47 26.283 -19.204 -13.795 1.00 11.30 C ATOM 336 O GLU A 47 27.110 -19.202 -14.707 1.00 31.51 O ATOM 337 CB GLU A 47 26.201 -17.222 -12.271 1.00 34.24 C ATOM 338 CG GLU A 47 26.431 -18.106 -11.056 1.00 11.55 C ATOM 339 CD GLU A 47 27.705 -18.920 -11.160 1.00 33.10 C ATOM 340 OE1 GLU A 47 28.672 -18.430 -11.781 1.00 12.30 O ATOM 341 OE2 GLU A 47 27.737 -20.046 -10.621 1.00 22.51 O ATOM 0 H GLU A 47 23.807 -17.877 -12.204 1.00 11.14 H new ATOM 0 HA GLU A 47 25.498 -17.277 -14.300 1.00 63.50 H new ATOM 0 HB2 GLU A 47 27.160 -16.835 -12.614 1.00 34.24 H new ATOM 0 HB3 GLU A 47 25.598 -16.363 -11.975 1.00 34.24 H new ATOM 0 HG2 GLU A 47 26.474 -17.484 -10.162 1.00 11.55 H new ATOM 0 HG3 GLU A 47 25.583 -18.780 -10.936 1.00 11.55 H new ATOM 348 N LYS A 48 26.008 -20.282 -13.068 1.00 52.25 N ATOM 349 CA LYS A 48 26.678 -21.555 -13.304 1.00 21.23 C ATOM 350 C LYS A 48 26.329 -22.113 -14.681 1.00 13.11 C ATOM 351 O LYS A 48 27.130 -22.817 -15.295 1.00 60.33 O ATOM 352 CB LYS A 48 26.297 -22.565 -12.219 1.00 62.55 C ATOM 353 CG LYS A 48 27.480 -23.353 -11.681 1.00 51.41 C ATOM 354 CD LYS A 48 27.120 -24.100 -10.406 1.00 75.20 C ATOM 355 CE LYS A 48 28.236 -24.017 -9.377 1.00 22.05 C ATOM 356 NZ LYS A 48 28.487 -25.331 -8.722 1.00 2.14 N ATOM 0 H LYS A 48 25.325 -20.299 -12.310 1.00 52.25 H new ATOM 0 HA LYS A 48 27.753 -21.380 -13.268 1.00 21.23 H new ATOM 0 HB2 LYS A 48 25.817 -22.037 -11.395 1.00 62.55 H new ATOM 0 HB3 LYS A 48 25.561 -23.260 -12.623 1.00 62.55 H new ATOM 0 HG2 LYS A 48 27.819 -24.062 -12.436 1.00 51.41 H new ATOM 0 HG3 LYS A 48 28.311 -22.675 -11.484 1.00 51.41 H new ATOM 0 HD2 LYS A 48 26.204 -23.684 -9.986 1.00 75.20 H new ATOM 0 HD3 LYS A 48 26.917 -25.145 -10.640 1.00 75.20 H new ATOM 0 HE2 LYS A 48 29.150 -23.672 -9.860 1.00 22.05 H new ATOM 0 HE3 LYS A 48 27.977 -23.277 -8.619 1.00 22.05 H new ATOM 0 HZ1 LYS A 48 29.255 -25.232 -8.028 1.00 2.14 H new ATOM 0 HZ2 LYS A 48 27.622 -25.649 -8.239 1.00 2.14 H new ATOM 0 HZ3 LYS A 48 28.759 -26.031 -9.441 1.00 2.14 H new ATOM 370 N ALA A 49 25.129 -21.798 -15.158 1.00 40.21 N ATOM 371 CA ALA A 49 24.680 -22.274 -16.460 1.00 20.42 C ATOM 372 C ALA A 49 24.740 -21.182 -17.514 1.00 42.23 C ATOM 373 O ALA A 49 24.217 -21.358 -18.610 1.00 44.21 O ATOM 374 CB ALA A 49 23.271 -22.824 -16.375 1.00 41.10 C ATOM 0 H ALA A 49 24.452 -21.217 -14.663 1.00 40.21 H new ATOM 0 HA ALA A 49 25.360 -23.071 -16.759 1.00 20.42 H new ATOM 0 HB1 ALA A 49 22.957 -23.173 -17.359 1.00 41.10 H new ATOM 0 HB2 ALA A 49 23.247 -23.655 -15.670 1.00 41.10 H new ATOM 0 HB3 ALA A 49 22.594 -22.040 -16.035 1.00 41.10 H new ATOM 380 N LEU A 50 25.386 -20.058 -17.206 1.00 30.22 N ATOM 381 CA LEU A 50 25.496 -18.982 -18.185 1.00 60.44 C ATOM 382 C LEU A 50 26.117 -19.506 -19.471 1.00 43.20 C ATOM 383 O LEU A 50 25.630 -19.242 -20.562 1.00 23.22 O ATOM 384 CB LEU A 50 26.293 -17.794 -17.640 1.00 11.40 C ATOM 385 CG LEU A 50 26.526 -16.648 -18.625 1.00 40.51 C ATOM 386 CD1 LEU A 50 26.370 -15.304 -17.928 1.00 3.35 C ATOM 387 CD2 LEU A 50 27.905 -16.763 -19.258 1.00 63.40 C ATOM 0 H LEU A 50 25.831 -19.872 -16.307 1.00 30.22 H new ATOM 0 HA LEU A 50 24.490 -18.621 -18.399 1.00 60.44 H new ATOM 0 HB2 LEU A 50 25.772 -17.399 -16.768 1.00 11.40 H new ATOM 0 HB3 LEU A 50 27.262 -18.156 -17.296 1.00 11.40 H new ATOM 0 HG LEU A 50 25.777 -16.715 -19.414 1.00 40.51 H new ATOM 0 HD11 LEU A 50 26.539 -14.501 -18.645 1.00 3.35 H new ATOM 0 HD12 LEU A 50 25.363 -15.220 -17.521 1.00 3.35 H new ATOM 0 HD13 LEU A 50 27.096 -15.227 -17.119 1.00 3.35 H new ATOM 0 HD21 LEU A 50 28.055 -15.940 -19.956 1.00 63.40 H new ATOM 0 HD22 LEU A 50 28.667 -16.722 -18.480 1.00 63.40 H new ATOM 0 HD23 LEU A 50 27.982 -17.710 -19.792 1.00 63.40 H new ATOM 399 N PRO A 51 27.163 -20.317 -19.339 1.00 52.25 N ATOM 400 CA PRO A 51 27.822 -20.948 -20.476 1.00 10.32 C ATOM 401 C PRO A 51 26.878 -21.945 -21.139 1.00 20.22 C ATOM 402 O PRO A 51 27.028 -22.292 -22.310 1.00 60.25 O ATOM 403 CB PRO A 51 29.027 -21.681 -19.864 1.00 63.44 C ATOM 404 CG PRO A 51 29.073 -21.292 -18.420 1.00 51.05 C ATOM 405 CD PRO A 51 27.723 -20.731 -18.064 1.00 64.54 C ATOM 0 HA PRO A 51 28.118 -20.230 -21.241 1.00 10.32 H new ATOM 0 HB2 PRO A 51 28.920 -22.760 -19.972 1.00 63.44 H new ATOM 0 HB3 PRO A 51 29.950 -21.400 -20.371 1.00 63.44 H new ATOM 0 HG2 PRO A 51 29.307 -22.155 -17.797 1.00 51.05 H new ATOM 0 HG3 PRO A 51 29.854 -20.552 -18.246 1.00 51.05 H new ATOM 0 HD2 PRO A 51 27.096 -21.479 -17.578 1.00 64.54 H new ATOM 0 HD3 PRO A 51 27.810 -19.891 -17.375 1.00 64.54 H new ATOM 413 N VAL A 52 25.901 -22.395 -20.355 1.00 23.23 N ATOM 414 CA VAL A 52 24.902 -23.350 -20.808 1.00 23.25 C ATOM 415 C VAL A 52 23.631 -22.646 -21.261 1.00 23.34 C ATOM 416 O VAL A 52 22.823 -23.225 -21.984 1.00 75.43 O ATOM 417 CB VAL A 52 24.572 -24.356 -19.685 1.00 52.22 C ATOM 418 CG1 VAL A 52 23.405 -25.250 -20.062 1.00 0.25 C ATOM 419 CG2 VAL A 52 25.798 -25.186 -19.337 1.00 44.32 C ATOM 0 H VAL A 52 25.783 -22.104 -19.385 1.00 23.23 H new ATOM 0 HA VAL A 52 25.318 -23.887 -21.660 1.00 23.25 H new ATOM 0 HB VAL A 52 24.276 -23.787 -18.804 1.00 52.22 H new ATOM 0 HG11 VAL A 52 23.201 -25.945 -19.248 1.00 0.25 H new ATOM 0 HG12 VAL A 52 22.522 -24.638 -20.246 1.00 0.25 H new ATOM 0 HG13 VAL A 52 23.652 -25.810 -20.964 1.00 0.25 H new ATOM 0 HG21 VAL A 52 25.547 -25.890 -18.543 1.00 44.32 H new ATOM 0 HG22 VAL A 52 26.128 -25.735 -20.219 1.00 44.32 H new ATOM 0 HG23 VAL A 52 26.599 -24.528 -18.999 1.00 44.32 H new ATOM 429 N VAL A 53 23.473 -21.394 -20.852 1.00 1.42 N ATOM 430 CA VAL A 53 22.319 -20.599 -21.238 1.00 55.53 C ATOM 431 C VAL A 53 22.708 -19.695 -22.402 1.00 51.51 C ATOM 432 O VAL A 53 21.878 -19.335 -23.238 1.00 41.45 O ATOM 433 CB VAL A 53 21.782 -19.754 -20.057 1.00 13.11 C ATOM 434 CG1 VAL A 53 22.556 -18.451 -19.903 1.00 72.51 C ATOM 435 CG2 VAL A 53 20.296 -19.479 -20.236 1.00 71.32 C ATOM 0 H VAL A 53 24.135 -20.906 -20.249 1.00 1.42 H new ATOM 0 HA VAL A 53 21.518 -21.274 -21.540 1.00 55.53 H new ATOM 0 HB VAL A 53 21.925 -20.329 -19.142 1.00 13.11 H new ATOM 0 HG11 VAL A 53 22.151 -17.884 -19.065 1.00 72.51 H new ATOM 0 HG12 VAL A 53 23.607 -18.672 -19.718 1.00 72.51 H new ATOM 0 HG13 VAL A 53 22.464 -17.863 -20.816 1.00 72.51 H new ATOM 0 HG21 VAL A 53 19.933 -18.884 -19.398 1.00 71.32 H new ATOM 0 HG22 VAL A 53 20.137 -18.932 -21.165 1.00 71.32 H new ATOM 0 HG23 VAL A 53 19.753 -20.423 -20.273 1.00 71.32 H new ATOM 445 N VAL A 54 23.995 -19.357 -22.449 1.00 22.03 N ATOM 446 CA VAL A 54 24.537 -18.521 -23.504 1.00 23.33 C ATOM 447 C VAL A 54 24.837 -19.348 -24.734 1.00 20.23 C ATOM 448 O VAL A 54 24.560 -18.934 -25.849 1.00 75.12 O ATOM 449 CB VAL A 54 25.831 -17.808 -23.060 1.00 0.31 C ATOM 450 CG1 VAL A 54 25.615 -17.023 -21.775 1.00 12.15 C ATOM 451 CG2 VAL A 54 26.973 -18.804 -22.891 1.00 75.53 C ATOM 0 H VAL A 54 24.684 -19.656 -21.758 1.00 22.03 H new ATOM 0 HA VAL A 54 23.782 -17.769 -23.733 1.00 23.33 H new ATOM 0 HB VAL A 54 26.104 -17.103 -23.845 1.00 0.31 H new ATOM 0 HG11 VAL A 54 26.545 -16.532 -21.488 1.00 12.15 H new ATOM 0 HG12 VAL A 54 24.842 -16.271 -21.933 1.00 12.15 H new ATOM 0 HG13 VAL A 54 25.304 -17.702 -20.982 1.00 12.15 H new ATOM 0 HG21 VAL A 54 27.873 -18.276 -22.578 1.00 75.53 H new ATOM 0 HG22 VAL A 54 26.704 -19.542 -22.135 1.00 75.53 H new ATOM 0 HG23 VAL A 54 27.160 -19.308 -23.839 1.00 75.53 H new ATOM 461 N GLY A 55 25.405 -20.524 -24.517 1.00 3.32 N ATOM 462 CA GLY A 55 25.736 -21.401 -25.621 1.00 72.33 C ATOM 463 C GLY A 55 24.612 -21.496 -26.625 1.00 35.51 C ATOM 464 O GLY A 55 24.849 -21.686 -27.813 1.00 63.41 O ATOM 0 H GLY A 55 25.643 -20.888 -23.594 1.00 3.32 H new ATOM 0 HA2 GLY A 55 26.635 -21.036 -26.117 1.00 72.33 H new ATOM 0 HA3 GLY A 55 25.965 -22.395 -25.238 1.00 72.33 H new ATOM 468 N ILE A 56 23.384 -21.336 -26.144 1.00 63.42 N ATOM 469 CA ILE A 56 22.218 -21.383 -27.026 1.00 4.34 C ATOM 470 C ILE A 56 22.005 -20.023 -27.670 1.00 41.14 C ATOM 471 O ILE A 56 21.701 -19.922 -28.858 1.00 34.34 O ATOM 472 CB ILE A 56 20.931 -21.790 -26.281 1.00 44.13 C ATOM 473 CG1 ILE A 56 21.247 -22.770 -25.154 1.00 62.25 C ATOM 474 CG2 ILE A 56 19.925 -22.394 -27.249 1.00 2.10 C ATOM 475 CD1 ILE A 56 21.321 -22.104 -23.802 1.00 32.35 C ATOM 0 H ILE A 56 23.169 -21.174 -25.160 1.00 63.42 H new ATOM 0 HA ILE A 56 22.421 -22.141 -27.783 1.00 4.34 H new ATOM 0 HB ILE A 56 20.492 -20.895 -25.841 1.00 44.13 H new ATOM 0 HG12 ILE A 56 20.483 -23.547 -25.130 1.00 62.25 H new ATOM 0 HG13 ILE A 56 22.196 -23.263 -25.363 1.00 62.25 H new ATOM 0 HG21 ILE A 56 19.022 -22.676 -26.707 1.00 2.10 H new ATOM 0 HG22 ILE A 56 19.674 -21.662 -28.016 1.00 2.10 H new ATOM 0 HG23 ILE A 56 20.357 -23.278 -27.718 1.00 2.10 H new ATOM 0 HD11 ILE A 56 21.548 -22.850 -23.041 1.00 32.35 H new ATOM 0 HD12 ILE A 56 22.104 -21.346 -23.812 1.00 32.35 H new ATOM 0 HD13 ILE A 56 20.364 -21.634 -23.575 1.00 32.35 H new ATOM 487 N LYS A 57 22.196 -18.975 -26.880 1.00 63.21 N ATOM 488 CA LYS A 57 22.058 -17.617 -27.379 1.00 52.42 C ATOM 489 C LYS A 57 23.290 -17.251 -28.197 1.00 22.33 C ATOM 490 O LYS A 57 23.248 -16.359 -29.043 1.00 53.23 O ATOM 491 CB LYS A 57 21.877 -16.633 -26.220 1.00 74.11 C ATOM 492 CG LYS A 57 20.433 -16.206 -26.004 1.00 21.34 C ATOM 493 CD LYS A 57 20.285 -14.693 -26.049 1.00 52.21 C ATOM 494 CE LYS A 57 20.291 -14.092 -24.652 1.00 43.34 C ATOM 495 NZ LYS A 57 19.346 -12.947 -24.536 1.00 4.23 N ATOM 0 H LYS A 57 22.446 -19.041 -25.893 1.00 63.21 H new ATOM 0 HA LYS A 57 21.174 -17.559 -28.013 1.00 52.42 H new ATOM 0 HB2 LYS A 57 22.253 -17.090 -25.304 1.00 74.11 H new ATOM 0 HB3 LYS A 57 22.485 -15.748 -26.408 1.00 74.11 H new ATOM 0 HG2 LYS A 57 19.801 -16.657 -26.769 1.00 21.34 H new ATOM 0 HG3 LYS A 57 20.083 -16.578 -25.041 1.00 21.34 H new ATOM 0 HD2 LYS A 57 21.098 -14.264 -26.635 1.00 52.21 H new ATOM 0 HD3 LYS A 57 19.355 -14.432 -26.555 1.00 52.21 H new ATOM 0 HE2 LYS A 57 20.023 -14.859 -23.926 1.00 43.34 H new ATOM 0 HE3 LYS A 57 21.299 -13.758 -24.405 1.00 43.34 H new ATOM 0 HZ1 LYS A 57 19.380 -12.565 -23.569 1.00 4.23 H new ATOM 0 HZ2 LYS A 57 19.617 -12.204 -25.211 1.00 4.23 H new ATOM 0 HZ3 LYS A 57 18.380 -13.271 -24.747 1.00 4.23 H new ATOM 509 N ALA A 58 24.388 -17.964 -27.943 1.00 32.53 N ATOM 510 CA ALA A 58 25.633 -17.735 -28.659 1.00 4.23 C ATOM 511 C ALA A 58 25.645 -18.516 -29.971 1.00 44.15 C ATOM 512 O ALA A 58 26.339 -18.150 -30.919 1.00 42.34 O ATOM 513 CB ALA A 58 26.819 -18.117 -27.784 1.00 51.21 C ATOM 0 H ALA A 58 24.435 -18.705 -27.244 1.00 32.53 H new ATOM 0 HA ALA A 58 25.713 -16.675 -28.898 1.00 4.23 H new ATOM 0 HB1 ALA A 58 27.746 -17.941 -28.330 1.00 51.21 H new ATOM 0 HB2 ALA A 58 26.812 -17.512 -26.877 1.00 51.21 H new ATOM 0 HB3 ALA A 58 26.749 -19.172 -27.517 1.00 51.21 H new ATOM 519 N ILE A 59 24.856 -19.588 -30.018 1.00 24.21 N ATOM 520 CA ILE A 59 24.752 -20.416 -31.212 1.00 30.50 C ATOM 521 C ILE A 59 23.543 -20.012 -32.035 1.00 40.13 C ATOM 522 O ILE A 59 23.622 -19.875 -33.256 1.00 31.15 O ATOM 523 CB ILE A 59 24.650 -21.910 -30.857 1.00 72.54 C ATOM 524 CG1 ILE A 59 23.424 -22.190 -29.988 1.00 61.21 C ATOM 525 CG2 ILE A 59 25.916 -22.351 -30.154 1.00 63.32 C ATOM 526 CD1 ILE A 59 22.182 -22.531 -30.782 1.00 53.24 C ATOM 0 H ILE A 59 24.278 -19.902 -29.238 1.00 24.21 H new ATOM 0 HA ILE A 59 25.660 -20.260 -31.795 1.00 30.50 H new ATOM 0 HB ILE A 59 24.534 -22.480 -31.779 1.00 72.54 H new ATOM 0 HG12 ILE A 59 23.650 -23.014 -29.311 1.00 61.21 H new ATOM 0 HG13 ILE A 59 23.221 -21.316 -29.369 1.00 61.21 H new ATOM 0 HG21 ILE A 59 25.843 -23.409 -29.903 1.00 63.32 H new ATOM 0 HG22 ILE A 59 26.771 -22.192 -30.811 1.00 63.32 H new ATOM 0 HG23 ILE A 59 26.047 -21.770 -29.241 1.00 63.32 H new ATOM 0 HD11 ILE A 59 21.353 -22.717 -30.099 1.00 53.24 H new ATOM 0 HD12 ILE A 59 21.931 -21.699 -31.439 1.00 53.24 H new ATOM 0 HD13 ILE A 59 22.366 -23.423 -31.380 1.00 53.24 H new ATOM 538 N GLY A 60 22.429 -19.796 -31.350 1.00 52.32 N ATOM 539 CA GLY A 60 21.220 -19.379 -32.023 1.00 11.13 C ATOM 540 C GLY A 60 21.204 -17.882 -32.247 1.00 55.31 C ATOM 541 O GLY A 60 20.299 -17.349 -32.888 1.00 4.34 O ATOM 0 H GLY A 60 22.343 -19.903 -30.339 1.00 52.32 H new ATOM 0 HA2 GLY A 60 21.138 -19.893 -32.981 1.00 11.13 H new ATOM 0 HA3 GLY A 60 20.353 -19.670 -31.430 1.00 11.13 H new ATOM 545 N LYS A 61 22.219 -17.202 -31.713 1.00 51.03 N ATOM 546 CA LYS A 61 22.326 -15.754 -31.856 1.00 1.20 C ATOM 547 C LYS A 61 23.728 -15.272 -31.500 1.00 23.20 C ATOM 548 O LYS A 61 23.867 -14.093 -31.112 1.00 24.42 O ATOM 549 CB LYS A 61 21.293 -15.056 -30.969 1.00 31.05 C ATOM 550 CG LYS A 61 21.070 -13.594 -31.329 1.00 44.41 C ATOM 551 CD LYS A 61 19.833 -13.414 -32.196 1.00 52.41 C ATOM 552 CE LYS A 61 20.172 -12.760 -33.527 1.00 33.10 C ATOM 553 NZ LYS A 61 20.665 -11.366 -33.350 1.00 32.54 N ATOM 554 OXT LYS A 61 24.676 -16.077 -31.612 1.00 38.49 O ATOM 0 H LYS A 61 22.975 -17.631 -31.180 1.00 51.03 H new ATOM 0 HA LYS A 61 22.130 -15.502 -32.898 1.00 1.20 H new ATOM 0 HB2 LYS A 61 20.345 -15.588 -31.042 1.00 31.05 H new ATOM 0 HB3 LYS A 61 21.616 -15.121 -29.930 1.00 31.05 H new ATOM 0 HG2 LYS A 61 20.965 -13.006 -30.417 1.00 44.41 H new ATOM 0 HG3 LYS A 61 21.944 -13.211 -31.856 1.00 44.41 H new ATOM 0 HD2 LYS A 61 19.369 -14.384 -32.374 1.00 52.41 H new ATOM 0 HD3 LYS A 61 19.102 -12.804 -31.666 1.00 52.41 H new ATOM 0 HE2 LYS A 61 20.931 -13.351 -34.039 1.00 33.10 H new ATOM 0 HE3 LYS A 61 19.288 -12.754 -34.165 1.00 33.10 H new ATOM 0 HZ1 LYS A 61 20.660 -10.877 -34.268 1.00 32.54 H new ATOM 0 HZ2 LYS A 61 20.046 -10.861 -32.685 1.00 32.54 H new ATOM 0 HZ3 LYS A 61 21.634 -11.386 -32.974 1.00 32.54 H new TER 568 LYS A 61