USER MOD reduce.3.24.130724 H: found=0, std=0, add=256, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 253 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.409 X(o=-0.41,f=-0.85!) USER MOD Single : A 9 SER OG : rot 170:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -1.52 X(o=-1.5,f=-1.5) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.0031 X(o=-0.0031,f=-0.41) USER MOD Single : A 17 LYS NZ :NH3+ -117:sc= -0.365 (180deg=-1.53!) USER MOD Single : A 21 ASN : amide:sc= -0.165 X(o=-0.16,f=-0.16) USER MOD Single : A 25 SER OG : rot 179:sc= 0.255 USER MOD Single : A 26 SER OG : rot 180:sc= 0.129 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.117 0.429 0.262 1.00 72.24 N ATOM 2 CA GLY A 1 3.517 0.077 0.112 1.00 52.30 C ATOM 3 C GLY A 1 3.710 -1.229 -0.633 1.00 2.32 C ATOM 4 O GLY A 1 3.965 -1.233 -1.836 1.00 54.33 O ATOM 0 H1 GLY A 1 2.039 1.329 0.777 1.00 72.24 H new ATOM 0 H2 GLY A 1 1.682 0.529 -0.677 1.00 72.24 H new ATOM 0 H3 GLY A 1 1.626 -0.318 0.793 1.00 72.24 H new ATOM 0 HA2 GLY A 1 4.034 0.875 -0.420 1.00 52.30 H new ATOM 0 HA3 GLY A 1 3.977 0.001 1.097 1.00 52.30 H new ATOM 8 N ASN A 2 3.591 -2.341 0.085 1.00 10.22 N ATOM 9 CA ASN A 2 3.757 -3.660 -0.515 1.00 52.41 C ATOM 10 C ASN A 2 2.932 -4.704 0.230 1.00 31.35 C ATOM 11 O ASN A 2 2.683 -4.574 1.429 1.00 0.21 O ATOM 12 CB ASN A 2 5.233 -4.062 -0.512 1.00 71.14 C ATOM 13 CG ASN A 2 5.883 -3.868 0.844 1.00 53.10 C ATOM 14 OD1 ASN A 2 5.287 -4.167 1.879 1.00 73.22 O ATOM 15 ND2 ASN A 2 7.111 -3.364 0.845 1.00 43.15 N ATOM 0 H ASN A 2 3.380 -2.355 1.083 1.00 10.22 H new ATOM 0 HA ASN A 2 3.403 -3.611 -1.545 1.00 52.41 H new ATOM 0 HB2 ASN A 2 5.323 -5.107 -0.808 1.00 71.14 H new ATOM 0 HB3 ASN A 2 5.769 -3.473 -1.256 1.00 71.14 H new ATOM 0 HD21 ASN A 2 7.598 -3.210 1.728 1.00 43.15 H new ATOM 0 HD22 ASN A 2 7.567 -3.130 -0.037 1.00 43.15 H new ATOM 22 N ASP A 3 2.512 -5.740 -0.487 1.00 75.20 N ATOM 23 CA ASP A 3 1.716 -6.809 0.106 1.00 1.22 C ATOM 24 C ASP A 3 2.185 -8.174 -0.388 1.00 54.34 C ATOM 25 O ASP A 3 1.974 -8.532 -1.548 1.00 11.33 O ATOM 26 CB ASP A 3 0.235 -6.614 -0.223 1.00 21.03 C ATOM 27 CG ASP A 3 -0.674 -7.339 0.750 1.00 12.42 C ATOM 28 OD1 ASP A 3 -0.429 -7.248 1.971 1.00 2.41 O ATOM 29 OD2 ASP A 3 -1.631 -7.997 0.291 1.00 63.53 O ATOM 0 H ASP A 3 2.709 -5.863 -1.480 1.00 75.20 H new ATOM 0 HA ASP A 3 1.848 -6.770 1.187 1.00 1.22 H new ATOM 0 HB2 ASP A 3 0.000 -5.550 -0.211 1.00 21.03 H new ATOM 0 HB3 ASP A 3 0.040 -6.972 -1.234 1.00 21.03 H new ATOM 34 N CYS A 4 2.822 -8.932 0.498 1.00 50.44 N ATOM 35 CA CYS A 4 3.322 -10.257 0.152 1.00 43.42 C ATOM 36 C CYS A 4 3.696 -11.041 1.406 1.00 35.42 C ATOM 37 O CYS A 4 3.610 -10.527 2.522 1.00 30.22 O ATOM 38 CB CYS A 4 4.537 -10.141 -0.771 1.00 60.21 C ATOM 39 SG CYS A 4 5.766 -8.909 -0.232 1.00 71.12 S ATOM 0 H CYS A 4 3.004 -8.651 1.461 1.00 50.44 H new ATOM 0 HA CYS A 4 2.528 -10.794 -0.368 1.00 43.42 H new ATOM 0 HB2 CYS A 4 5.021 -11.115 -0.840 1.00 60.21 H new ATOM 0 HB3 CYS A 4 4.195 -9.883 -1.773 1.00 60.21 H new ATOM 44 N LEU A 5 4.110 -12.289 1.215 1.00 32.00 N ATOM 45 CA LEU A 5 4.497 -13.146 2.330 1.00 30.03 C ATOM 46 C LEU A 5 5.986 -13.472 2.276 1.00 41.45 C ATOM 47 O LEU A 5 6.632 -13.299 1.243 1.00 70.53 O ATOM 48 CB LEU A 5 3.680 -14.439 2.313 1.00 13.13 C ATOM 49 CG LEU A 5 2.160 -14.272 2.288 1.00 71.01 C ATOM 50 CD1 LEU A 5 1.490 -15.552 1.813 1.00 62.20 C ATOM 51 CD2 LEU A 5 1.644 -13.877 3.664 1.00 52.33 C ATOM 0 H LEU A 5 4.186 -12.730 0.298 1.00 32.00 H new ATOM 0 HA LEU A 5 4.295 -12.608 3.256 1.00 30.03 H new ATOM 0 HB2 LEU A 5 3.976 -15.021 1.440 1.00 13.13 H new ATOM 0 HB3 LEU A 5 3.947 -15.025 3.192 1.00 13.13 H new ATOM 0 HG LEU A 5 1.913 -13.475 1.587 1.00 71.01 H new ATOM 0 HD11 LEU A 5 0.409 -15.414 1.802 1.00 62.20 H new ATOM 0 HD12 LEU A 5 1.836 -15.792 0.808 1.00 62.20 H new ATOM 0 HD13 LEU A 5 1.745 -16.368 2.489 1.00 62.20 H new ATOM 0 HD21 LEU A 5 0.561 -13.763 3.627 1.00 52.33 H new ATOM 0 HD22 LEU A 5 1.903 -14.652 4.386 1.00 52.33 H new ATOM 0 HD23 LEU A 5 2.098 -12.933 3.966 1.00 52.33 H new ATOM 63 N GLY A 6 6.525 -13.945 3.395 1.00 31.30 N ATOM 64 CA GLY A 6 7.933 -14.290 3.453 1.00 45.35 C ATOM 65 C GLY A 6 8.197 -15.724 3.040 1.00 31.42 C ATOM 66 O GLY A 6 7.450 -16.297 2.247 1.00 73.12 O ATOM 0 H GLY A 6 6.011 -14.096 4.263 1.00 31.30 H new ATOM 0 HA2 GLY A 6 8.495 -13.619 2.804 1.00 45.35 H new ATOM 0 HA3 GLY A 6 8.300 -14.134 4.467 1.00 45.35 H new ATOM 70 N PHE A 7 9.263 -16.307 3.579 1.00 42.25 N ATOM 71 CA PHE A 7 9.625 -17.683 3.260 1.00 61.01 C ATOM 72 C PHE A 7 8.900 -18.663 4.178 1.00 3.42 C ATOM 73 O PHE A 7 8.575 -18.335 5.320 1.00 65.34 O ATOM 74 CB PHE A 7 11.138 -17.876 3.382 1.00 61.11 C ATOM 75 CG PHE A 7 11.741 -18.631 2.232 1.00 73.22 C ATOM 76 CD1 PHE A 7 11.472 -19.979 2.054 1.00 43.21 C ATOM 77 CD2 PHE A 7 12.576 -17.993 1.329 1.00 61.50 C ATOM 78 CE1 PHE A 7 12.025 -20.677 0.996 1.00 11.44 C ATOM 79 CE2 PHE A 7 13.131 -18.686 0.269 1.00 2.15 C ATOM 80 CZ PHE A 7 12.856 -20.029 0.104 1.00 63.33 C ATOM 0 H PHE A 7 9.891 -15.848 4.239 1.00 42.25 H new ATOM 0 HA PHE A 7 9.322 -17.883 2.232 1.00 61.01 H new ATOM 0 HB2 PHE A 7 11.616 -16.899 3.455 1.00 61.11 H new ATOM 0 HB3 PHE A 7 11.355 -18.407 4.309 1.00 61.11 H new ATOM 0 HD1 PHE A 7 10.823 -20.490 2.750 1.00 43.21 H new ATOM 0 HD2 PHE A 7 12.796 -16.943 1.454 1.00 61.50 H new ATOM 0 HE1 PHE A 7 11.807 -21.727 0.868 1.00 11.44 H new ATOM 0 HE2 PHE A 7 13.779 -18.177 -0.429 1.00 2.15 H new ATOM 0 HZ PHE A 7 13.291 -20.572 -0.722 1.00 63.33 H new ATOM 90 N TRP A 8 8.650 -19.864 3.671 1.00 20.33 N ATOM 91 CA TRP A 8 7.963 -20.892 4.445 1.00 31.02 C ATOM 92 C TRP A 8 6.651 -20.361 5.011 1.00 14.03 C ATOM 93 O TRP A 8 6.199 -20.798 6.070 1.00 54.23 O ATOM 94 CB TRP A 8 8.859 -21.388 5.581 1.00 31.41 C ATOM 95 CG TRP A 8 10.273 -21.642 5.155 1.00 43.52 C ATOM 96 CD1 TRP A 8 11.391 -20.995 5.599 1.00 24.54 C ATOM 97 CD2 TRP A 8 10.720 -22.608 4.198 1.00 71.41 C ATOM 98 NE1 TRP A 8 12.506 -21.503 4.976 1.00 2.45 N ATOM 99 CE2 TRP A 8 12.121 -22.494 4.113 1.00 43.42 C ATOM 100 CE3 TRP A 8 10.073 -23.561 3.406 1.00 30.25 C ATOM 101 CZ2 TRP A 8 12.883 -23.295 3.267 1.00 25.11 C ATOM 102 CZ3 TRP A 8 10.831 -24.356 2.567 1.00 12.44 C ATOM 103 CH2 TRP A 8 12.224 -24.219 2.503 1.00 31.54 C ATOM 0 H TRP A 8 8.912 -20.151 2.728 1.00 20.33 H new ATOM 0 HA TRP A 8 7.739 -21.725 3.778 1.00 31.02 H new ATOM 0 HB2 TRP A 8 8.856 -20.651 6.384 1.00 31.41 H new ATOM 0 HB3 TRP A 8 8.440 -22.307 5.990 1.00 31.41 H new ATOM 0 HD1 TRP A 8 11.398 -20.201 6.331 1.00 24.54 H new ATOM 0 HE1 TRP A 8 13.465 -21.192 5.131 1.00 2.45 H new ATOM 0 HE3 TRP A 8 9.000 -23.674 3.449 1.00 30.25 H new ATOM 0 HZ2 TRP A 8 13.957 -23.191 3.216 1.00 25.11 H new ATOM 0 HZ3 TRP A 8 10.341 -25.095 1.950 1.00 12.44 H new ATOM 0 HH2 TRP A 8 12.789 -24.855 1.838 1.00 31.54 H new ATOM 114 N SER A 9 6.043 -19.417 4.300 1.00 41.22 N ATOM 115 CA SER A 9 4.784 -18.824 4.734 1.00 13.21 C ATOM 116 C SER A 9 3.602 -19.483 4.030 1.00 54.44 C ATOM 117 O SER A 9 3.526 -19.496 2.801 1.00 31.15 O ATOM 118 CB SER A 9 4.782 -17.319 4.458 1.00 2.02 C ATOM 119 OG SER A 9 3.978 -16.629 5.399 1.00 3.32 O ATOM 0 H SER A 9 6.402 -19.046 3.420 1.00 41.22 H new ATOM 0 HA SER A 9 4.684 -18.989 5.807 1.00 13.21 H new ATOM 0 HB2 SER A 9 5.802 -16.937 4.498 1.00 2.02 H new ATOM 0 HB3 SER A 9 4.410 -17.131 3.451 1.00 2.02 H new ATOM 0 HG SER A 9 4.119 -15.664 5.304 1.00 3.32 H new ATOM 125 N ALA A 10 2.681 -20.028 4.817 1.00 31.44 N ATOM 126 CA ALA A 10 1.501 -20.687 4.271 1.00 62.42 C ATOM 127 C ALA A 10 0.789 -19.791 3.264 1.00 53.02 C ATOM 128 O ALA A 10 0.642 -18.588 3.483 1.00 73.21 O ATOM 129 CB ALA A 10 0.552 -21.085 5.391 1.00 13.53 C ATOM 0 H ALA A 10 2.729 -20.026 5.836 1.00 31.44 H new ATOM 0 HA ALA A 10 1.827 -21.587 3.750 1.00 62.42 H new ATOM 0 HB1 ALA A 10 -0.324 -21.576 4.968 1.00 13.53 H new ATOM 0 HB2 ALA A 10 1.059 -21.770 6.071 1.00 13.53 H new ATOM 0 HB3 ALA A 10 0.241 -20.195 5.938 1.00 13.53 H new ATOM 135 N CYS A 11 0.348 -20.383 2.159 1.00 63.51 N ATOM 136 CA CYS A 11 -0.348 -19.639 1.117 1.00 40.12 C ATOM 137 C CYS A 11 -1.299 -20.547 0.342 1.00 23.02 C ATOM 138 O CYS A 11 -1.461 -21.720 0.675 1.00 75.12 O ATOM 139 CB CYS A 11 0.659 -19.000 0.158 1.00 13.32 C ATOM 140 SG CYS A 11 1.899 -20.161 -0.500 1.00 53.52 S ATOM 0 H CYS A 11 0.461 -21.377 1.962 1.00 63.51 H new ATOM 0 HA CYS A 11 -0.933 -18.854 1.596 1.00 40.12 H new ATOM 0 HB2 CYS A 11 0.117 -18.553 -0.675 1.00 13.32 H new ATOM 0 HB3 CYS A 11 1.174 -18.190 0.675 1.00 13.32 H new ATOM 145 N ASN A 12 -1.924 -19.995 -0.693 1.00 2.13 N ATOM 146 CA ASN A 12 -2.859 -20.755 -1.515 1.00 4.41 C ATOM 147 C ASN A 12 -2.259 -21.054 -2.885 1.00 43.34 C ATOM 148 O ASN A 12 -1.584 -20.220 -3.491 1.00 33.32 O ATOM 149 CB ASN A 12 -4.170 -19.984 -1.677 1.00 53.31 C ATOM 150 CG ASN A 12 -5.387 -20.882 -1.560 1.00 2.43 C ATOM 151 OD1 ASN A 12 -5.628 -21.486 -0.514 1.00 44.34 O ATOM 152 ND2 ASN A 12 -6.160 -20.973 -2.635 1.00 74.01 N ATOM 0 H ASN A 12 -1.800 -19.025 -0.982 1.00 2.13 H new ATOM 0 HA ASN A 12 -3.061 -21.701 -1.012 1.00 4.41 H new ATOM 0 HB2 ASN A 12 -4.225 -19.202 -0.919 1.00 53.31 H new ATOM 0 HB3 ASN A 12 -4.179 -19.488 -2.648 1.00 53.31 H new ATOM 0 HD21 ASN A 12 -6.993 -21.562 -2.616 1.00 74.01 H new ATOM 0 HD22 ASN A 12 -5.921 -20.454 -3.480 1.00 74.01 H new ATOM 159 N PRO A 13 -2.510 -22.272 -3.388 1.00 4.30 N ATOM 160 CA PRO A 13 -2.005 -22.709 -4.693 1.00 24.01 C ATOM 161 C PRO A 13 -2.684 -21.984 -5.850 1.00 20.32 C ATOM 162 O PRO A 13 -2.169 -21.958 -6.968 1.00 31.01 O ATOM 163 CB PRO A 13 -2.345 -24.201 -4.723 1.00 21.10 C ATOM 164 CG PRO A 13 -3.506 -24.344 -3.800 1.00 41.44 C ATOM 165 CD PRO A 13 -3.306 -23.316 -2.721 1.00 41.33 C ATOM 0 HA PRO A 13 -0.942 -22.498 -4.810 1.00 24.01 H new ATOM 0 HB2 PRO A 13 -2.598 -24.529 -5.731 1.00 21.10 H new ATOM 0 HB3 PRO A 13 -1.500 -24.806 -4.393 1.00 21.10 H new ATOM 0 HG2 PRO A 13 -4.446 -24.179 -4.327 1.00 41.44 H new ATOM 0 HG3 PRO A 13 -3.548 -25.349 -3.379 1.00 41.44 H new ATOM 0 HD2 PRO A 13 -4.256 -22.926 -2.357 1.00 41.33 H new ATOM 0 HD3 PRO A 13 -2.782 -23.733 -1.861 1.00 41.33 H new ATOM 173 N LYS A 14 -3.843 -21.396 -5.574 1.00 71.14 N ATOM 174 CA LYS A 14 -4.593 -20.669 -6.591 1.00 53.24 C ATOM 175 C LYS A 14 -4.296 -19.174 -6.522 1.00 35.25 C ATOM 176 O LYS A 14 -4.549 -18.437 -7.473 1.00 45.14 O ATOM 177 CB LYS A 14 -6.094 -20.910 -6.417 1.00 74.14 C ATOM 178 CG LYS A 14 -6.456 -22.371 -6.213 1.00 61.24 C ATOM 179 CD LYS A 14 -7.951 -22.552 -6.009 1.00 24.52 C ATOM 180 CE LYS A 14 -8.247 -23.690 -5.044 1.00 72.52 C ATOM 181 NZ LYS A 14 -8.246 -25.013 -5.729 1.00 55.33 N ATOM 0 H LYS A 14 -4.283 -21.409 -4.654 1.00 71.14 H new ATOM 0 HA LYS A 14 -4.283 -21.038 -7.568 1.00 53.24 H new ATOM 0 HB2 LYS A 14 -6.449 -20.334 -5.563 1.00 74.14 H new ATOM 0 HB3 LYS A 14 -6.618 -20.534 -7.296 1.00 74.14 H new ATOM 0 HG2 LYS A 14 -6.133 -22.951 -7.078 1.00 61.24 H new ATOM 0 HG3 LYS A 14 -5.920 -22.762 -5.348 1.00 61.24 H new ATOM 0 HD2 LYS A 14 -8.382 -21.627 -5.626 1.00 24.52 H new ATOM 0 HD3 LYS A 14 -8.429 -22.753 -6.968 1.00 24.52 H new ATOM 0 HE2 LYS A 14 -7.503 -23.693 -4.247 1.00 72.52 H new ATOM 0 HE3 LYS A 14 -9.217 -23.525 -4.574 1.00 72.52 H new ATOM 0 HZ1 LYS A 14 -8.452 -25.762 -5.038 1.00 55.33 H new ATOM 0 HZ2 LYS A 14 -8.973 -25.019 -6.473 1.00 55.33 H new ATOM 0 HZ3 LYS A 14 -7.313 -25.182 -6.156 1.00 55.33 H new ATOM 195 N ASN A 15 -3.758 -18.735 -5.389 1.00 12.25 N ATOM 196 CA ASN A 15 -3.426 -17.328 -5.195 1.00 52.24 C ATOM 197 C ASN A 15 -2.110 -17.178 -4.438 1.00 73.50 C ATOM 198 O ASN A 15 -2.096 -17.081 -3.211 1.00 31.02 O ATOM 199 CB ASN A 15 -4.548 -16.617 -4.436 1.00 32.11 C ATOM 200 CG ASN A 15 -4.459 -15.108 -4.552 1.00 10.31 C ATOM 201 OD1 ASN A 15 -4.245 -14.569 -5.638 1.00 71.01 O ATOM 202 ND2 ASN A 15 -4.623 -14.417 -3.429 1.00 62.53 N ATOM 0 H ASN A 15 -3.543 -19.333 -4.591 1.00 12.25 H new ATOM 0 HA ASN A 15 -3.314 -16.869 -6.177 1.00 52.24 H new ATOM 0 HB2 ASN A 15 -5.512 -16.952 -4.820 1.00 32.11 H new ATOM 0 HB3 ASN A 15 -4.508 -16.901 -3.384 1.00 32.11 H new ATOM 0 HD21 ASN A 15 -4.573 -13.398 -3.445 1.00 62.53 H new ATOM 0 HD22 ASN A 15 -4.798 -14.905 -2.551 1.00 62.53 H new ATOM 209 N ASP A 16 -1.007 -17.161 -5.178 1.00 11.22 N ATOM 210 CA ASP A 16 0.314 -17.022 -4.577 1.00 4.51 C ATOM 211 C ASP A 16 0.600 -15.565 -4.224 1.00 61.11 C ATOM 212 O ASP A 16 0.771 -14.723 -5.106 1.00 61.21 O ATOM 213 CB ASP A 16 1.389 -17.549 -5.529 1.00 21.03 C ATOM 214 CG ASP A 16 2.785 -17.120 -5.121 1.00 12.10 C ATOM 215 OD1 ASP A 16 3.131 -15.941 -5.342 1.00 51.14 O ATOM 216 OD2 ASP A 16 3.531 -17.963 -4.581 1.00 63.42 O ATOM 0 H ASP A 16 -1.002 -17.242 -6.195 1.00 11.22 H new ATOM 0 HA ASP A 16 0.332 -17.610 -3.659 1.00 4.51 H new ATOM 0 HB2 ASP A 16 1.341 -18.638 -5.560 1.00 21.03 H new ATOM 0 HB3 ASP A 16 1.183 -17.192 -6.538 1.00 21.03 H new ATOM 221 N LYS A 17 0.650 -15.274 -2.929 1.00 33.34 N ATOM 222 CA LYS A 17 0.915 -13.920 -2.458 1.00 33.15 C ATOM 223 C LYS A 17 2.276 -13.838 -1.774 1.00 60.43 C ATOM 224 O LYS A 17 2.482 -13.024 -0.874 1.00 21.55 O ATOM 225 CB LYS A 17 -0.182 -13.471 -1.489 1.00 23.32 C ATOM 226 CG LYS A 17 -1.464 -13.040 -2.179 1.00 71.11 C ATOM 227 CD LYS A 17 -1.306 -11.688 -2.855 1.00 73.40 C ATOM 228 CE LYS A 17 -1.535 -10.546 -1.877 1.00 60.20 C ATOM 229 NZ LYS A 17 -0.286 -10.176 -1.155 1.00 13.11 N ATOM 0 H LYS A 17 0.510 -15.959 -2.186 1.00 33.34 H new ATOM 0 HA LYS A 17 0.922 -13.257 -3.323 1.00 33.15 H new ATOM 0 HB2 LYS A 17 -0.406 -14.288 -0.803 1.00 23.32 H new ATOM 0 HB3 LYS A 17 0.193 -12.643 -0.887 1.00 23.32 H new ATOM 0 HG2 LYS A 17 -1.748 -13.787 -2.920 1.00 71.11 H new ATOM 0 HG3 LYS A 17 -2.272 -12.991 -1.449 1.00 71.11 H new ATOM 0 HD2 LYS A 17 -0.306 -11.608 -3.282 1.00 73.40 H new ATOM 0 HD3 LYS A 17 -2.013 -11.608 -3.681 1.00 73.40 H new ATOM 0 HE2 LYS A 17 -1.914 -9.677 -2.415 1.00 60.20 H new ATOM 0 HE3 LYS A 17 -2.300 -10.833 -1.156 1.00 60.20 H new ATOM 0 HZ1 LYS A 17 -0.409 -10.350 -0.137 1.00 13.11 H new ATOM 0 HZ2 LYS A 17 0.504 -10.750 -1.512 1.00 13.11 H new ATOM 0 HZ3 LYS A 17 -0.080 -9.169 -1.311 1.00 13.11 H new ATOM 243 N CYS A 18 3.203 -14.685 -2.209 1.00 70.42 N ATOM 244 CA CYS A 18 4.545 -14.709 -1.641 1.00 2.33 C ATOM 245 C CYS A 18 5.388 -13.560 -2.188 1.00 33.10 C ATOM 246 O CYS A 18 4.996 -12.888 -3.143 1.00 21.04 O ATOM 247 CB CYS A 18 5.227 -16.045 -1.943 1.00 53.32 C ATOM 248 SG CYS A 18 4.192 -17.503 -1.595 1.00 53.10 S ATOM 0 H CYS A 18 3.049 -15.364 -2.954 1.00 70.42 H new ATOM 0 HA CYS A 18 4.457 -14.590 -0.561 1.00 2.33 H new ATOM 0 HB2 CYS A 18 5.519 -16.062 -2.993 1.00 53.32 H new ATOM 0 HB3 CYS A 18 6.143 -16.114 -1.356 1.00 53.32 H new ATOM 253 N CYS A 19 6.547 -13.341 -1.577 1.00 1.32 N ATOM 254 CA CYS A 19 7.446 -12.274 -2.001 1.00 70.21 C ATOM 255 C CYS A 19 8.803 -12.838 -2.412 1.00 2.03 C ATOM 256 O CYS A 19 8.996 -14.053 -2.450 1.00 5.32 O ATOM 257 CB CYS A 19 7.625 -11.252 -0.877 1.00 30.12 C ATOM 258 SG CYS A 19 7.401 -9.522 -1.402 1.00 32.21 S ATOM 0 H CYS A 19 6.886 -13.888 -0.786 1.00 1.32 H new ATOM 0 HA CYS A 19 7.001 -11.779 -2.864 1.00 70.21 H new ATOM 0 HB2 CYS A 19 6.913 -11.474 -0.082 1.00 30.12 H new ATOM 0 HB3 CYS A 19 8.623 -11.365 -0.453 1.00 30.12 H new ATOM 263 N ALA A 20 9.740 -11.946 -2.718 1.00 30.31 N ATOM 264 CA ALA A 20 11.079 -12.354 -3.123 1.00 64.02 C ATOM 265 C ALA A 20 11.024 -13.353 -4.274 1.00 64.10 C ATOM 266 O ALA A 20 11.912 -14.192 -4.423 1.00 33.13 O ATOM 267 CB ALA A 20 11.831 -12.949 -1.941 1.00 55.51 C ATOM 0 H ALA A 20 9.596 -10.937 -2.693 1.00 30.31 H new ATOM 0 HA ALA A 20 11.612 -11.468 -3.470 1.00 64.02 H new ATOM 0 HB1 ALA A 20 12.829 -13.249 -2.259 1.00 55.51 H new ATOM 0 HB2 ALA A 20 11.911 -12.205 -1.149 1.00 55.51 H new ATOM 0 HB3 ALA A 20 11.292 -13.820 -1.568 1.00 55.51 H new ATOM 273 N ASN A 21 9.976 -13.257 -5.085 1.00 61.04 N ATOM 274 CA ASN A 21 9.805 -14.154 -6.223 1.00 1.14 C ATOM 275 C ASN A 21 9.672 -15.601 -5.759 1.00 33.22 C ATOM 276 O ASN A 21 10.068 -16.530 -6.464 1.00 50.13 O ATOM 277 CB ASN A 21 10.987 -14.022 -7.185 1.00 42.11 C ATOM 278 CG ASN A 21 11.457 -12.587 -7.330 1.00 63.41 C ATOM 279 OD1 ASN A 21 10.716 -11.724 -7.800 1.00 21.00 O ATOM 280 ND2 ASN A 21 12.695 -12.327 -6.926 1.00 42.01 N ATOM 0 H ASN A 21 9.232 -12.568 -4.976 1.00 61.04 H new ATOM 0 HA ASN A 21 8.889 -13.872 -6.742 1.00 1.14 H new ATOM 0 HB2 ASN A 21 11.813 -14.638 -6.828 1.00 42.11 H new ATOM 0 HB3 ASN A 21 10.701 -14.408 -8.163 1.00 42.11 H new ATOM 0 HD21 ASN A 21 13.067 -11.380 -6.999 1.00 42.01 H new ATOM 0 HD22 ASN A 21 13.274 -13.074 -6.542 1.00 42.01 H new ATOM 287 N LEU A 22 9.111 -15.786 -4.569 1.00 12.21 N ATOM 288 CA LEU A 22 8.924 -17.120 -4.010 1.00 32.30 C ATOM 289 C LEU A 22 7.870 -17.896 -4.794 1.00 21.22 C ATOM 290 O LEU A 22 7.302 -17.389 -5.761 1.00 10.21 O ATOM 291 CB LEU A 22 8.515 -17.026 -2.539 1.00 11.10 C ATOM 292 CG LEU A 22 9.641 -16.731 -1.547 1.00 35.10 C ATOM 293 CD1 LEU A 22 9.098 -16.008 -0.324 1.00 23.12 C ATOM 294 CD2 LEU A 22 10.344 -18.018 -1.140 1.00 55.12 C ATOM 0 H LEU A 22 8.778 -15.029 -3.973 1.00 12.21 H new ATOM 0 HA LEU A 22 9.872 -17.654 -4.084 1.00 32.30 H new ATOM 0 HB2 LEU A 22 7.759 -16.247 -2.442 1.00 11.10 H new ATOM 0 HB3 LEU A 22 8.043 -17.966 -2.253 1.00 11.10 H new ATOM 0 HG LEU A 22 10.369 -16.082 -2.034 1.00 35.10 H new ATOM 0 HD11 LEU A 22 9.913 -15.806 0.371 1.00 23.12 H new ATOM 0 HD12 LEU A 22 8.641 -15.067 -0.631 1.00 23.12 H new ATOM 0 HD13 LEU A 22 8.350 -16.632 0.165 1.00 23.12 H new ATOM 0 HD21 LEU A 22 11.142 -17.789 -0.434 1.00 55.12 H new ATOM 0 HD22 LEU A 22 9.627 -18.692 -0.671 1.00 55.12 H new ATOM 0 HD23 LEU A 22 10.767 -18.496 -2.023 1.00 55.12 H new ATOM 306 N VAL A 23 7.612 -19.129 -4.369 1.00 23.04 N ATOM 307 CA VAL A 23 6.624 -19.974 -5.028 1.00 63.22 C ATOM 308 C VAL A 23 5.723 -20.663 -4.010 1.00 33.01 C ATOM 309 O VAL A 23 6.172 -21.058 -2.933 1.00 54.44 O ATOM 310 CB VAL A 23 7.298 -21.044 -5.907 1.00 64.34 C ATOM 311 CG1 VAL A 23 8.250 -21.894 -5.079 1.00 72.21 C ATOM 312 CG2 VAL A 23 6.250 -21.912 -6.588 1.00 3.22 C ATOM 0 H VAL A 23 8.074 -19.565 -3.571 1.00 23.04 H new ATOM 0 HA VAL A 23 6.021 -19.322 -5.660 1.00 63.22 H new ATOM 0 HB VAL A 23 7.878 -20.541 -6.680 1.00 64.34 H new ATOM 0 HG11 VAL A 23 8.717 -22.644 -5.717 1.00 72.21 H new ATOM 0 HG12 VAL A 23 9.021 -21.258 -4.644 1.00 72.21 H new ATOM 0 HG13 VAL A 23 7.696 -22.390 -4.282 1.00 72.21 H new ATOM 0 HG21 VAL A 23 6.744 -22.662 -7.205 1.00 3.22 H new ATOM 0 HG22 VAL A 23 5.641 -22.408 -5.832 1.00 3.22 H new ATOM 0 HG23 VAL A 23 5.613 -21.289 -7.216 1.00 3.22 H new ATOM 322 N CYS A 24 4.448 -20.805 -4.357 1.00 71.12 N ATOM 323 CA CYS A 24 3.481 -21.446 -3.474 1.00 63.52 C ATOM 324 C CYS A 24 3.299 -22.916 -3.843 1.00 25.13 C ATOM 325 O CYS A 24 2.538 -23.250 -4.751 1.00 3.42 O ATOM 326 CB CYS A 24 2.136 -20.722 -3.544 1.00 52.43 C ATOM 327 SG CYS A 24 1.060 -21.009 -2.102 1.00 44.12 S ATOM 0 H CYS A 24 4.060 -20.484 -5.244 1.00 71.12 H new ATOM 0 HA CYS A 24 3.864 -21.389 -2.455 1.00 63.52 H new ATOM 0 HB2 CYS A 24 2.317 -19.651 -3.642 1.00 52.43 H new ATOM 0 HB3 CYS A 24 1.611 -21.040 -4.445 1.00 52.43 H new ATOM 332 N SER A 25 4.004 -23.790 -3.131 1.00 72.30 N ATOM 333 CA SER A 25 3.923 -25.224 -3.385 1.00 24.01 C ATOM 334 C SER A 25 2.500 -25.733 -3.178 1.00 22.44 C ATOM 335 O SER A 25 1.936 -25.606 -2.091 1.00 73.12 O ATOM 336 CB SER A 25 4.887 -25.981 -2.468 1.00 55.51 C ATOM 337 OG SER A 25 4.604 -27.369 -2.466 1.00 71.20 O ATOM 0 H SER A 25 4.637 -23.530 -2.374 1.00 72.30 H new ATOM 0 HA SER A 25 4.206 -25.401 -4.423 1.00 24.01 H new ATOM 0 HB2 SER A 25 5.913 -25.816 -2.798 1.00 55.51 H new ATOM 0 HB3 SER A 25 4.812 -25.590 -1.453 1.00 55.51 H new ATOM 0 HG SER A 25 5.244 -27.833 -1.887 1.00 71.20 H new ATOM 343 N SER A 26 1.926 -26.311 -4.228 1.00 42.33 N ATOM 344 CA SER A 26 0.568 -26.836 -4.164 1.00 74.42 C ATOM 345 C SER A 26 0.500 -28.058 -3.253 1.00 64.53 C ATOM 346 O SER A 26 -0.583 -28.526 -2.901 1.00 25.33 O ATOM 347 CB SER A 26 0.073 -27.203 -5.565 1.00 1.51 C ATOM 348 OG SER A 26 1.158 -27.375 -6.460 1.00 22.42 O ATOM 0 H SER A 26 2.381 -26.427 -5.134 1.00 42.33 H new ATOM 0 HA SER A 26 -0.076 -26.059 -3.751 1.00 74.42 H new ATOM 0 HB2 SER A 26 -0.513 -28.121 -5.518 1.00 1.51 H new ATOM 0 HB3 SER A 26 -0.589 -26.421 -5.937 1.00 1.51 H new ATOM 0 HG SER A 26 0.816 -27.611 -7.348 1.00 22.42 H new ATOM 354 N LYS A 27 1.666 -28.572 -2.875 1.00 43.53 N ATOM 355 CA LYS A 27 1.743 -29.738 -2.004 1.00 70.45 C ATOM 356 C LYS A 27 1.854 -29.320 -0.542 1.00 2.50 C ATOM 357 O LYS A 27 0.954 -29.577 0.258 1.00 23.32 O ATOM 358 CB LYS A 27 2.941 -30.610 -2.389 1.00 50.40 C ATOM 359 CG LYS A 27 2.591 -31.738 -3.344 1.00 42.41 C ATOM 360 CD LYS A 27 1.987 -32.923 -2.610 1.00 2.12 C ATOM 361 CE LYS A 27 3.059 -33.767 -1.937 1.00 40.13 C ATOM 362 NZ LYS A 27 2.579 -35.146 -1.649 1.00 34.55 N ATOM 0 H LYS A 27 2.572 -28.198 -3.159 1.00 43.53 H new ATOM 0 HA LYS A 27 0.826 -30.314 -2.129 1.00 70.45 H new ATOM 0 HB2 LYS A 27 3.705 -29.981 -2.847 1.00 50.40 H new ATOM 0 HB3 LYS A 27 3.377 -31.033 -1.484 1.00 50.40 H new ATOM 0 HG2 LYS A 27 1.887 -31.376 -4.094 1.00 42.41 H new ATOM 0 HG3 LYS A 27 3.487 -32.057 -3.876 1.00 42.41 H new ATOM 0 HD2 LYS A 27 1.280 -32.566 -1.861 1.00 2.12 H new ATOM 0 HD3 LYS A 27 1.425 -33.539 -3.312 1.00 2.12 H new ATOM 0 HE2 LYS A 27 3.939 -33.815 -2.578 1.00 40.13 H new ATOM 0 HE3 LYS A 27 3.368 -33.288 -1.008 1.00 40.13 H new ATOM 0 HZ1 LYS A 27 3.338 -35.689 -1.191 1.00 34.55 H new ATOM 0 HZ2 LYS A 27 1.755 -35.102 -1.017 1.00 34.55 H new ATOM 0 HZ3 LYS A 27 2.308 -35.612 -2.538 1.00 34.55 H new ATOM 376 N HIS A 28 2.963 -28.671 -0.199 1.00 71.15 N ATOM 377 CA HIS A 28 3.190 -28.214 1.167 1.00 23.50 C ATOM 378 C HIS A 28 2.311 -27.010 1.491 1.00 63.13 C ATOM 379 O HIS A 28 2.099 -26.679 2.657 1.00 10.53 O ATOM 380 CB HIS A 28 4.663 -27.855 1.369 1.00 54.13 C ATOM 381 CG HIS A 28 5.432 -28.888 2.133 1.00 42.11 C ATOM 382 ND1 HIS A 28 5.360 -29.019 3.504 1.00 41.23 N ATOM 383 CD2 HIS A 28 6.292 -29.844 1.710 1.00 43.41 C ATOM 384 CE1 HIS A 28 6.144 -30.009 3.891 1.00 31.10 C ATOM 385 NE2 HIS A 28 6.721 -30.527 2.821 1.00 12.34 N ATOM 0 H HIS A 28 3.718 -28.450 -0.848 1.00 71.15 H new ATOM 0 HA HIS A 28 2.926 -29.026 1.844 1.00 23.50 H new ATOM 0 HB2 HIS A 28 5.131 -27.713 0.395 1.00 54.13 H new ATOM 0 HB3 HIS A 28 4.727 -26.903 1.896 1.00 54.13 H new ATOM 0 HD2 HIS A 28 6.586 -30.034 0.688 1.00 43.41 H new ATOM 0 HE1 HIS A 28 6.289 -30.339 4.909 1.00 31.10 H new ATOM 0 HE2 HIS A 28 7.378 -31.307 2.821 1.00 12.34 H new ATOM 393 N LYS A 29 1.803 -26.358 0.451 1.00 60.25 N ATOM 394 CA LYS A 29 0.947 -25.191 0.623 1.00 54.32 C ATOM 395 C LYS A 29 1.665 -24.101 1.412 1.00 13.12 C ATOM 396 O LYS A 29 1.208 -23.692 2.480 1.00 50.44 O ATOM 397 CB LYS A 29 -0.348 -25.584 1.337 1.00 14.44 C ATOM 398 CG LYS A 29 -1.014 -26.818 0.755 1.00 72.24 C ATOM 399 CD LYS A 29 -2.437 -26.977 1.263 1.00 13.21 C ATOM 400 CE LYS A 29 -3.266 -27.852 0.336 1.00 71.50 C ATOM 401 NZ LYS A 29 -4.474 -28.394 1.018 1.00 53.04 N ATOM 0 H LYS A 29 1.970 -26.619 -0.521 1.00 60.25 H new ATOM 0 HA LYS A 29 0.705 -24.800 -0.365 1.00 54.32 H new ATOM 0 HB2 LYS A 29 -0.133 -25.761 2.391 1.00 14.44 H new ATOM 0 HB3 LYS A 29 -1.046 -24.749 1.290 1.00 14.44 H new ATOM 0 HG2 LYS A 29 -1.021 -26.750 -0.333 1.00 72.24 H new ATOM 0 HG3 LYS A 29 -0.433 -27.703 1.015 1.00 72.24 H new ATOM 0 HD2 LYS A 29 -2.421 -27.415 2.261 1.00 13.21 H new ATOM 0 HD3 LYS A 29 -2.904 -25.996 1.353 1.00 13.21 H new ATOM 0 HE2 LYS A 29 -3.570 -27.272 -0.535 1.00 71.50 H new ATOM 0 HE3 LYS A 29 -2.654 -28.677 -0.028 1.00 71.50 H new ATOM 0 HZ1 LYS A 29 -5.012 -28.985 0.353 1.00 53.04 H new ATOM 0 HZ2 LYS A 29 -4.183 -28.969 1.835 1.00 53.04 H new ATOM 0 HZ3 LYS A 29 -5.071 -27.607 1.344 1.00 53.04 H new ATOM 415 N TRP A 30 2.789 -23.635 0.880 1.00 14.30 N ATOM 416 CA TRP A 30 3.569 -22.591 1.535 1.00 14.30 C ATOM 417 C TRP A 30 4.497 -21.901 0.542 1.00 64.11 C ATOM 418 O TRP A 30 4.671 -22.364 -0.586 1.00 15.00 O ATOM 419 CB TRP A 30 4.382 -23.181 2.688 1.00 1.20 C ATOM 420 CG TRP A 30 5.408 -24.178 2.242 1.00 71.33 C ATOM 421 CD1 TRP A 30 5.571 -24.679 0.981 1.00 15.44 C ATOM 422 CD2 TRP A 30 6.411 -24.797 3.054 1.00 63.41 C ATOM 423 NE1 TRP A 30 6.615 -25.572 0.961 1.00 13.42 N ATOM 424 CE2 TRP A 30 7.148 -25.662 2.220 1.00 54.51 C ATOM 425 CE3 TRP A 30 6.761 -24.705 4.404 1.00 50.53 C ATOM 426 CZ2 TRP A 30 8.210 -26.427 2.694 1.00 50.43 C ATOM 427 CZ3 TRP A 30 7.815 -25.465 4.872 1.00 4.25 C ATOM 428 CH2 TRP A 30 8.530 -26.316 4.020 1.00 64.15 C ATOM 0 H TRP A 30 3.181 -23.963 -0.003 1.00 14.30 H new ATOM 0 HA TRP A 30 2.876 -21.849 1.931 1.00 14.30 H new ATOM 0 HB2 TRP A 30 4.880 -22.372 3.223 1.00 1.20 H new ATOM 0 HB3 TRP A 30 3.703 -23.660 3.394 1.00 1.20 H new ATOM 0 HD1 TRP A 30 4.968 -24.412 0.126 1.00 15.44 H new ATOM 0 HE1 TRP A 30 6.941 -26.085 0.142 1.00 13.42 H new ATOM 0 HE3 TRP A 30 6.217 -24.051 5.069 1.00 50.53 H new ATOM 0 HZ2 TRP A 30 8.762 -27.085 2.039 1.00 50.43 H new ATOM 0 HZ3 TRP A 30 8.093 -25.402 5.914 1.00 4.25 H new ATOM 0 HH2 TRP A 30 9.350 -26.896 4.417 1.00 64.15 H new ATOM 439 N CYS A 31 5.093 -20.792 0.967 1.00 24.24 N ATOM 440 CA CYS A 31 6.005 -20.038 0.115 1.00 31.24 C ATOM 441 C CYS A 31 7.417 -20.614 0.186 1.00 55.53 C ATOM 442 O CYS A 31 8.230 -20.194 1.009 1.00 1.10 O ATOM 443 CB CYS A 31 6.022 -18.565 0.529 1.00 74.24 C ATOM 444 SG CYS A 31 4.402 -17.740 0.406 1.00 30.22 S ATOM 0 H CYS A 31 4.961 -20.395 1.897 1.00 24.24 H new ATOM 0 HA CYS A 31 5.651 -20.116 -0.913 1.00 31.24 H new ATOM 0 HB2 CYS A 31 6.378 -18.491 1.556 1.00 74.24 H new ATOM 0 HB3 CYS A 31 6.738 -18.031 -0.096 1.00 74.24 H new ATOM 449 N LYS A 32 7.701 -21.577 -0.684 1.00 35.11 N ATOM 450 CA LYS A 32 9.013 -22.210 -0.723 1.00 64.33 C ATOM 451 C LYS A 32 9.838 -21.680 -1.892 1.00 22.32 C ATOM 452 O LYS A 32 9.383 -20.823 -2.647 1.00 52.22 O ATOM 453 CB LYS A 32 8.866 -23.729 -0.836 1.00 65.44 C ATOM 454 CG LYS A 32 8.123 -24.177 -2.083 1.00 64.50 C ATOM 455 CD LYS A 32 9.068 -24.782 -3.108 1.00 60.02 C ATOM 456 CE LYS A 32 9.652 -26.099 -2.620 1.00 1.33 C ATOM 457 NZ LYS A 32 8.904 -27.270 -3.155 1.00 11.23 N ATOM 0 H LYS A 32 7.039 -21.936 -1.372 1.00 35.11 H new ATOM 0 HA LYS A 32 9.533 -21.969 0.204 1.00 64.33 H new ATOM 0 HB2 LYS A 32 9.857 -24.183 -0.831 1.00 65.44 H new ATOM 0 HB3 LYS A 32 8.340 -24.101 0.043 1.00 65.44 H new ATOM 0 HG2 LYS A 32 7.363 -24.909 -1.811 1.00 64.50 H new ATOM 0 HG3 LYS A 32 7.603 -23.326 -2.523 1.00 64.50 H new ATOM 0 HD2 LYS A 32 8.535 -24.944 -4.045 1.00 60.02 H new ATOM 0 HD3 LYS A 32 9.875 -24.081 -3.318 1.00 60.02 H new ATOM 0 HE2 LYS A 32 10.697 -26.167 -2.922 1.00 1.33 H new ATOM 0 HE3 LYS A 32 9.633 -26.123 -1.530 1.00 1.33 H new ATOM 0 HZ1 LYS A 32 9.333 -28.148 -2.799 1.00 11.23 H new ATOM 0 HZ2 LYS A 32 7.912 -27.219 -2.846 1.00 11.23 H new ATOM 0 HZ3 LYS A 32 8.943 -27.262 -4.194 1.00 11.23 H new ATOM 471 N GLY A 33 11.055 -22.198 -2.035 1.00 75.20 N ATOM 472 CA GLY A 33 11.922 -21.766 -3.115 1.00 5.33 C ATOM 473 C GLY A 33 11.804 -22.647 -4.342 1.00 70.12 C ATOM 474 O GLY A 33 12.058 -23.850 -4.279 1.00 71.23 O ATOM 0 H GLY A 33 11.455 -22.909 -1.422 1.00 75.20 H new ATOM 0 HA2 GLY A 33 11.677 -20.739 -3.384 1.00 5.33 H new ATOM 0 HA3 GLY A 33 12.956 -21.767 -2.769 1.00 5.33 H new ATOM 478 N LYS A 34 11.415 -22.048 -5.463 1.00 64.51 N ATOM 479 CA LYS A 34 11.263 -22.786 -6.712 1.00 13.04 C ATOM 480 C LYS A 34 12.617 -23.250 -7.239 1.00 11.24 C ATOM 481 O LYS A 34 13.464 -22.434 -7.605 1.00 62.55 O ATOM 482 CB LYS A 34 10.566 -21.916 -7.760 1.00 44.51 C ATOM 483 CG LYS A 34 9.895 -22.713 -8.864 1.00 71.53 C ATOM 484 CD LYS A 34 8.713 -21.963 -9.455 1.00 45.34 C ATOM 485 CE LYS A 34 9.169 -20.867 -10.407 1.00 0.33 C ATOM 486 NZ LYS A 34 8.031 -20.026 -10.870 1.00 74.23 N ATOM 0 H LYS A 34 11.199 -21.053 -5.532 1.00 64.51 H new ATOM 0 HA LYS A 34 10.651 -23.665 -6.513 1.00 13.04 H new ATOM 0 HB2 LYS A 34 9.818 -21.296 -7.266 1.00 44.51 H new ATOM 0 HB3 LYS A 34 11.298 -21.241 -8.204 1.00 44.51 H new ATOM 0 HG2 LYS A 34 10.619 -22.929 -9.649 1.00 71.53 H new ATOM 0 HG3 LYS A 34 9.558 -23.671 -8.469 1.00 71.53 H new ATOM 0 HD2 LYS A 34 8.066 -22.661 -9.986 1.00 45.34 H new ATOM 0 HD3 LYS A 34 8.120 -21.526 -8.652 1.00 45.34 H new ATOM 0 HE2 LYS A 34 9.907 -20.238 -9.909 1.00 0.33 H new ATOM 0 HE3 LYS A 34 9.663 -21.317 -11.269 1.00 0.33 H new ATOM 0 HZ1 LYS A 34 8.383 -19.291 -11.517 1.00 74.23 H new ATOM 0 HZ2 LYS A 34 7.339 -20.622 -11.367 1.00 74.23 H new ATOM 0 HZ3 LYS A 34 7.575 -19.577 -10.050 1.00 74.23 H new ATOM 500 N LEU A 35 12.814 -24.563 -7.275 1.00 40.01 N ATOM 501 CA LEU A 35 14.065 -25.136 -7.759 1.00 43.33 C ATOM 502 C LEU A 35 13.928 -25.598 -9.206 1.00 65.43 C ATOM 503 O LEU A 35 14.824 -25.388 -10.023 1.00 45.45 O ATOM 504 CB LEU A 35 14.488 -26.310 -6.874 1.00 40.53 C ATOM 505 CG LEU A 35 14.722 -25.987 -5.398 1.00 51.10 C ATOM 506 CD1 LEU A 35 14.870 -27.266 -4.589 1.00 63.11 C ATOM 507 CD2 LEU A 35 15.950 -25.104 -5.233 1.00 43.12 C ATOM 0 H LEU A 35 12.123 -25.251 -6.975 1.00 40.01 H new ATOM 0 HA LEU A 35 14.831 -24.362 -7.715 1.00 43.33 H new ATOM 0 HB2 LEU A 35 13.722 -27.083 -6.939 1.00 40.53 H new ATOM 0 HB3 LEU A 35 15.405 -26.735 -7.282 1.00 40.53 H new ATOM 0 HG LEU A 35 13.855 -25.443 -5.023 1.00 51.10 H new ATOM 0 HD11 LEU A 35 15.036 -27.016 -3.541 1.00 63.11 H new ATOM 0 HD12 LEU A 35 13.962 -27.862 -4.681 1.00 63.11 H new ATOM 0 HD13 LEU A 35 15.719 -27.838 -4.964 1.00 63.11 H new ATOM 0 HD21 LEU A 35 16.101 -24.884 -4.176 1.00 43.12 H new ATOM 0 HD22 LEU A 35 16.826 -25.622 -5.625 1.00 43.12 H new ATOM 0 HD23 LEU A 35 15.804 -24.172 -5.780 1.00 43.12 H new TER 519 LEU A 35