USER MOD reduce.3.24.130724 H: found=0, std=0, add=267, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 265 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 SER N :NH3+ 144:sc= 0.123 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0437 USER MOD Single : A 5 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0454) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -1.28 X(o=-1.3,f=-1) USER MOD Single : A 13 SER OG : rot 180:sc= -0.0457 USER MOD Single : A 14 ASN : amide:sc= -0.552 K(o=-0.55,f=-3.1) USER MOD Single : A 18 LYS NZ :NH3+ -124:sc= 1.1 (180deg=-0.992) USER MOD Single : A 23 SER OG : rot -150:sc= -0.156 USER MOD Single : A 24 SER OG : rot -17:sc= 0.318! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 1.225 -0.032 -0.007 1.00 52.43 N ATOM 2 CA SER A 1 2.062 -0.053 -1.201 1.00 24.24 C ATOM 3 C SER A 1 1.872 -1.355 -1.973 1.00 44.41 C ATOM 4 O SER A 1 1.394 -2.349 -1.427 1.00 73.41 O ATOM 5 CB SER A 1 3.534 0.117 -0.822 1.00 3.13 C ATOM 6 OG SER A 1 3.709 1.209 0.064 1.00 33.44 O ATOM 0 H1 SER A 1 1.731 0.451 0.763 1.00 52.43 H new ATOM 0 H2 SER A 1 0.341 0.475 -0.212 1.00 52.43 H new ATOM 0 H3 SER A 1 1.006 -1.007 0.281 1.00 52.43 H new ATOM 0 HA SER A 1 1.761 0.777 -1.840 1.00 24.24 H new ATOM 0 HB2 SER A 1 3.900 -0.797 -0.355 1.00 3.13 H new ATOM 0 HB3 SER A 1 4.129 0.276 -1.722 1.00 3.13 H new ATOM 0 HG SER A 1 4.658 1.296 0.293 1.00 33.44 H new ATOM 12 N GLU A 2 2.248 -1.339 -3.249 1.00 41.25 N ATOM 13 CA GLU A 2 2.118 -2.518 -4.097 1.00 73.01 C ATOM 14 C GLU A 2 3.477 -3.168 -4.337 1.00 11.12 C ATOM 15 O GLU A 2 4.512 -2.636 -3.934 1.00 60.40 O ATOM 16 CB GLU A 2 1.476 -2.143 -5.435 1.00 23.35 C ATOM 17 CG GLU A 2 0.450 -3.153 -5.922 1.00 11.21 C ATOM 18 CD GLU A 2 -0.631 -2.520 -6.777 1.00 4.33 C ATOM 19 OE1 GLU A 2 -1.225 -1.516 -6.333 1.00 41.33 O1- ATOM 20 OE2 GLU A 2 -0.882 -3.029 -7.889 1.00 33.02 O ATOM 0 H GLU A 2 2.644 -0.524 -3.717 1.00 41.25 H new ATOM 0 HA GLU A 2 1.478 -3.235 -3.583 1.00 73.01 H new ATOM 0 HB2 GLU A 2 0.997 -1.169 -5.338 1.00 23.35 H new ATOM 0 HB3 GLU A 2 2.258 -2.040 -6.187 1.00 23.35 H new ATOM 0 HG2 GLU A 2 0.955 -3.930 -6.497 1.00 11.21 H new ATOM 0 HG3 GLU A 2 -0.010 -3.641 -5.063 1.00 11.21 H new ATOM 27 N CYS A 3 3.467 -4.322 -4.997 1.00 42.14 N ATOM 28 CA CYS A 3 4.697 -5.047 -5.291 1.00 42.15 C ATOM 29 C CYS A 3 4.744 -5.465 -6.758 1.00 30.34 C ATOM 30 O CYS A 3 3.850 -5.137 -7.537 1.00 64.22 O ATOM 31 CB CYS A 3 4.814 -6.279 -4.394 1.00 34.30 C ATOM 32 SG CYS A 3 3.291 -7.273 -4.292 1.00 72.02 S ATOM 0 H CYS A 3 2.619 -4.775 -5.338 1.00 42.14 H new ATOM 0 HA CYS A 3 5.538 -4.382 -5.094 1.00 42.15 H new ATOM 0 HB2 CYS A 3 5.622 -6.909 -4.765 1.00 34.30 H new ATOM 0 HB3 CYS A 3 5.094 -5.959 -3.390 1.00 34.30 H new ATOM 37 N GLY A 4 5.794 -6.193 -7.127 1.00 4.44 N ATOM 38 CA GLY A 4 5.938 -6.646 -8.498 1.00 13.42 C ATOM 39 C GLY A 4 4.847 -7.615 -8.907 1.00 43.02 C ATOM 40 O GLY A 4 3.753 -7.605 -8.342 1.00 51.20 O ATOM 0 H GLY A 4 6.547 -6.477 -6.501 1.00 4.44 H new ATOM 0 HA2 GLY A 4 5.923 -5.784 -9.165 1.00 13.42 H new ATOM 0 HA3 GLY A 4 6.909 -7.126 -8.619 1.00 13.42 H new ATOM 44 N LYS A 5 5.143 -8.455 -9.893 1.00 14.14 N ATOM 45 CA LYS A 5 4.178 -9.435 -10.378 1.00 71.53 C ATOM 46 C LYS A 5 4.839 -10.418 -11.340 1.00 3.13 C ATOM 47 O LYS A 5 5.996 -10.242 -11.726 1.00 70.30 O ATOM 48 CB LYS A 5 3.011 -8.732 -11.073 1.00 45.22 C ATOM 49 CG LYS A 5 1.648 -9.162 -10.558 1.00 15.10 C ATOM 50 CD LYS A 5 0.578 -9.026 -11.629 1.00 72.00 C ATOM 51 CE LYS A 5 -0.449 -7.968 -11.259 1.00 3.34 C ATOM 52 NZ LYS A 5 -1.499 -7.824 -12.305 1.00 33.12 N1+ ATOM 0 H LYS A 5 6.043 -8.477 -10.372 1.00 14.14 H new ATOM 0 HA LYS A 5 3.800 -9.991 -9.520 1.00 71.53 H new ATOM 0 HB2 LYS A 5 3.116 -7.655 -10.942 1.00 45.22 H new ATOM 0 HB3 LYS A 5 3.064 -8.929 -12.144 1.00 45.22 H new ATOM 0 HG2 LYS A 5 1.696 -10.197 -10.220 1.00 15.10 H new ATOM 0 HG3 LYS A 5 1.377 -8.556 -9.693 1.00 15.10 H new ATOM 0 HD2 LYS A 5 1.044 -8.766 -12.579 1.00 72.00 H new ATOM 0 HD3 LYS A 5 0.079 -9.985 -11.771 1.00 72.00 H new ATOM 0 HE2 LYS A 5 -0.916 -8.231 -10.310 1.00 3.34 H new ATOM 0 HE3 LYS A 5 0.052 -7.011 -11.113 1.00 3.34 H new ATOM 0 HZ1 LYS A 5 -2.100 -7.005 -12.083 1.00 33.12 H new ATOM 0 HZ2 LYS A 5 -1.049 -7.682 -13.232 1.00 33.12 H new ATOM 0 HZ3 LYS A 5 -2.082 -8.684 -12.332 1.00 33.12 H new ATOM 66 N PHE A 6 4.099 -11.452 -11.725 1.00 1.44 N ATOM 67 CA PHE A 6 4.613 -12.461 -12.643 1.00 43.32 C ATOM 68 C PHE A 6 4.668 -11.922 -14.069 1.00 62.05 C ATOM 69 O PHE A 6 3.793 -11.169 -14.493 1.00 70.24 O ATOM 70 CB PHE A 6 3.740 -13.717 -12.593 1.00 24.12 C ATOM 71 CG PHE A 6 4.085 -14.729 -13.649 1.00 13.53 C ATOM 72 CD1 PHE A 6 5.383 -15.194 -13.783 1.00 75.24 C ATOM 73 CD2 PHE A 6 3.111 -15.215 -14.506 1.00 30.22 C ATOM 74 CE1 PHE A 6 5.704 -16.124 -14.755 1.00 25.35 C ATOM 75 CE2 PHE A 6 3.426 -16.146 -15.479 1.00 72.54 C ATOM 76 CZ PHE A 6 4.723 -16.601 -15.602 1.00 32.12 C ATOM 0 H PHE A 6 3.141 -11.613 -11.415 1.00 1.44 H new ATOM 0 HA PHE A 6 5.626 -12.718 -12.332 1.00 43.32 H new ATOM 0 HB2 PHE A 6 3.839 -14.180 -11.611 1.00 24.12 H new ATOM 0 HB3 PHE A 6 2.695 -13.428 -12.705 1.00 24.12 H new ATOM 0 HD1 PHE A 6 6.153 -14.826 -13.121 1.00 75.24 H new ATOM 0 HD2 PHE A 6 2.094 -14.863 -14.413 1.00 30.22 H new ATOM 0 HE1 PHE A 6 6.720 -16.477 -14.852 1.00 25.35 H new ATOM 0 HE2 PHE A 6 2.658 -16.516 -16.142 1.00 72.54 H new ATOM 0 HZ PHE A 6 4.971 -17.329 -16.360 1.00 32.12 H new ATOM 86 N MET A 7 5.704 -12.314 -14.804 1.00 43.35 N ATOM 87 CA MET A 7 5.874 -11.871 -16.183 1.00 21.13 C ATOM 88 C MET A 7 6.030 -10.356 -16.251 1.00 62.32 C ATOM 89 O MET A 7 5.808 -9.746 -17.298 1.00 44.50 O ATOM 90 CB MET A 7 4.680 -12.312 -17.032 1.00 61.22 C ATOM 91 CG MET A 7 4.933 -13.586 -17.823 1.00 50.33 C ATOM 92 SD MET A 7 3.669 -13.893 -19.070 1.00 74.33 S ATOM 93 CE MET A 7 4.527 -15.037 -20.149 1.00 44.25 C ATOM 0 H MET A 7 6.438 -12.937 -14.468 1.00 43.35 H new ATOM 0 HA MET A 7 6.781 -12.329 -16.578 1.00 21.13 H new ATOM 0 HB2 MET A 7 3.818 -12.463 -16.382 1.00 61.22 H new ATOM 0 HB3 MET A 7 4.421 -11.510 -17.724 1.00 61.22 H new ATOM 0 HG2 MET A 7 5.907 -13.521 -18.308 1.00 50.33 H new ATOM 0 HG3 MET A 7 4.974 -14.432 -17.137 1.00 50.33 H new ATOM 0 HE1 MET A 7 3.872 -15.321 -20.973 1.00 44.25 H new ATOM 0 HE2 MET A 7 5.423 -14.560 -20.546 1.00 44.25 H new ATOM 0 HE3 MET A 7 4.808 -15.927 -19.586 1.00 44.25 H new ATOM 103 N TRP A 8 6.414 -9.753 -15.131 1.00 34.43 N ATOM 104 CA TRP A 8 6.599 -8.309 -15.066 1.00 22.41 C ATOM 105 C TRP A 8 8.081 -7.951 -15.030 1.00 34.33 C ATOM 106 O TRP A 8 8.841 -8.491 -14.226 1.00 51.25 O ATOM 107 CB TRP A 8 5.895 -7.738 -13.834 1.00 44.33 C ATOM 108 CG TRP A 8 4.417 -7.571 -14.019 1.00 72.12 C ATOM 109 CD1 TRP A 8 3.606 -8.301 -14.839 1.00 44.44 C ATOM 110 CD2 TRP A 8 3.576 -6.610 -13.370 1.00 51.33 C ATOM 111 NE1 TRP A 8 2.311 -7.852 -14.740 1.00 14.23 N ATOM 112 CE2 TRP A 8 2.266 -6.815 -13.845 1.00 53.53 C ATOM 113 CE3 TRP A 8 3.802 -5.598 -12.433 1.00 73.15 C ATOM 114 CZ2 TRP A 8 1.189 -6.045 -13.414 1.00 54.31 C ATOM 115 CZ3 TRP A 8 2.732 -4.833 -12.008 1.00 13.31 C ATOM 116 CH2 TRP A 8 1.439 -5.061 -12.498 1.00 23.11 C ATOM 0 H TRP A 8 6.603 -10.242 -14.256 1.00 34.43 H new ATOM 0 HA TRP A 8 6.160 -7.872 -15.962 1.00 22.41 H new ATOM 0 HB2 TRP A 8 6.076 -8.396 -12.984 1.00 44.33 H new ATOM 0 HB3 TRP A 8 6.335 -6.771 -13.588 1.00 44.33 H new ATOM 0 HD1 TRP A 8 3.934 -9.112 -15.472 1.00 44.44 H new ATOM 0 HE1 TRP A 8 1.512 -8.229 -15.250 1.00 14.23 H new ATOM 0 HE3 TRP A 8 4.795 -5.417 -12.048 1.00 73.15 H new ATOM 0 HZ2 TRP A 8 0.192 -6.219 -13.790 1.00 54.31 H new ATOM 0 HZ3 TRP A 8 2.895 -4.046 -11.286 1.00 13.31 H new ATOM 0 HH2 TRP A 8 0.624 -4.447 -12.145 1.00 23.11 H new ATOM 127 N LYS A 9 8.485 -7.038 -15.907 1.00 21.41 N ATOM 128 CA LYS A 9 9.877 -6.607 -15.975 1.00 71.24 C ATOM 129 C LYS A 9 10.395 -6.220 -14.594 1.00 45.12 C ATOM 130 O LYS A 9 9.631 -5.781 -13.734 1.00 22.42 O ATOM 131 CB LYS A 9 10.019 -5.424 -16.935 1.00 71.41 C ATOM 132 CG LYS A 9 9.919 -5.813 -18.400 1.00 42.53 C ATOM 133 CD LYS A 9 8.479 -5.804 -18.882 1.00 21.25 C ATOM 134 CE LYS A 9 8.399 -5.832 -20.401 1.00 65.14 C ATOM 135 NZ LYS A 9 6.990 -5.815 -20.883 1.00 63.20 N1+ ATOM 0 H LYS A 9 7.869 -6.582 -16.580 1.00 21.41 H new ATOM 0 HA LYS A 9 10.472 -7.442 -16.346 1.00 71.24 H new ATOM 0 HB2 LYS A 9 9.246 -4.689 -16.709 1.00 71.41 H new ATOM 0 HB3 LYS A 9 10.980 -4.939 -16.761 1.00 71.41 H new ATOM 0 HG2 LYS A 9 10.509 -5.122 -19.002 1.00 42.53 H new ATOM 0 HG3 LYS A 9 10.346 -6.806 -18.544 1.00 42.53 H new ATOM 0 HD2 LYS A 9 7.952 -6.666 -18.473 1.00 21.25 H new ATOM 0 HD3 LYS A 9 7.974 -4.914 -18.506 1.00 21.25 H new ATOM 0 HE2 LYS A 9 8.933 -4.973 -20.809 1.00 65.14 H new ATOM 0 HE3 LYS A 9 8.900 -6.725 -20.775 1.00 65.14 H new ATOM 0 HZ1 LYS A 9 6.979 -5.835 -21.923 1.00 63.20 H new ATOM 0 HZ2 LYS A 9 6.487 -6.648 -20.515 1.00 63.20 H new ATOM 0 HZ3 LYS A 9 6.519 -4.950 -20.548 1.00 63.20 H new ATOM 149 N CYS A 10 11.698 -6.384 -14.388 1.00 44.41 N ATOM 150 CA CYS A 10 12.320 -6.050 -13.112 1.00 52.21 C ATOM 151 C CYS A 10 13.823 -5.849 -13.275 1.00 12.32 C ATOM 152 O CYS A 10 14.464 -6.509 -14.094 1.00 13.12 O ATOM 153 CB CYS A 10 12.049 -7.154 -12.087 1.00 5.43 C ATOM 154 SG CYS A 10 12.949 -8.705 -12.409 1.00 71.00 S ATOM 0 H CYS A 10 12.344 -6.747 -15.089 1.00 44.41 H new ATOM 0 HA CYS A 10 11.884 -5.116 -12.756 1.00 52.21 H new ATOM 0 HB2 CYS A 10 12.319 -6.789 -11.096 1.00 5.43 H new ATOM 0 HB3 CYS A 10 10.980 -7.364 -12.069 1.00 5.43 H new ATOM 159 N LYS A 11 14.380 -4.934 -12.490 1.00 64.42 N ATOM 160 CA LYS A 11 15.808 -4.645 -12.544 1.00 41.35 C ATOM 161 C LYS A 11 16.578 -5.517 -11.558 1.00 30.14 C ATOM 162 O LYS A 11 17.801 -5.625 -11.634 1.00 31.31 O ATOM 163 CB LYS A 11 16.062 -3.166 -12.241 1.00 1.10 C ATOM 164 CG LYS A 11 15.532 -2.226 -13.310 1.00 23.24 C ATOM 165 CD LYS A 11 16.471 -2.153 -14.504 1.00 22.43 C ATOM 166 CE LYS A 11 16.086 -3.159 -15.577 1.00 23.11 C ATOM 167 NZ LYS A 11 16.401 -2.659 -16.944 1.00 11.12 N1+ ATOM 0 H LYS A 11 13.864 -4.379 -11.808 1.00 64.42 H new ATOM 0 HA LYS A 11 16.160 -4.869 -13.551 1.00 41.35 H new ATOM 0 HB2 LYS A 11 15.599 -2.915 -11.287 1.00 1.10 H new ATOM 0 HB3 LYS A 11 17.134 -3.006 -12.128 1.00 1.10 H new ATOM 0 HG2 LYS A 11 14.549 -2.564 -13.639 1.00 23.24 H new ATOM 0 HG3 LYS A 11 15.401 -1.230 -12.887 1.00 23.24 H new ATOM 0 HD2 LYS A 11 16.451 -1.147 -14.923 1.00 22.43 H new ATOM 0 HD3 LYS A 11 17.493 -2.342 -14.176 1.00 22.43 H new ATOM 0 HE2 LYS A 11 16.614 -4.096 -15.402 1.00 23.11 H new ATOM 0 HE3 LYS A 11 15.020 -3.376 -15.506 1.00 23.11 H new ATOM 0 HZ1 LYS A 11 16.124 -3.373 -17.647 1.00 11.12 H new ATOM 0 HZ2 LYS A 11 15.878 -1.778 -17.121 1.00 11.12 H new ATOM 0 HZ3 LYS A 11 17.422 -2.476 -17.020 1.00 11.12 H new ATOM 181 N ASN A 12 15.852 -6.138 -10.633 1.00 51.45 N ATOM 182 CA ASN A 12 16.468 -7.002 -9.632 1.00 3.12 C ATOM 183 C ASN A 12 15.426 -7.905 -8.979 1.00 14.41 C ATOM 184 O ASN A 12 14.233 -7.797 -9.259 1.00 45.02 O ATOM 185 CB ASN A 12 17.170 -6.160 -8.565 1.00 2.42 C ATOM 186 CG ASN A 12 18.592 -5.800 -8.956 1.00 32.43 C ATOM 187 OD1 ASN A 12 19.486 -6.645 -8.932 1.00 31.00 O ATOM 188 ND2 ASN A 12 18.804 -4.540 -9.315 1.00 73.25 N ATOM 0 H ASN A 12 14.838 -6.059 -10.556 1.00 51.45 H new ATOM 0 HA ASN A 12 17.205 -7.630 -10.133 1.00 3.12 H new ATOM 0 HB2 ASN A 12 16.601 -5.246 -8.394 1.00 2.42 H new ATOM 0 HB3 ASN A 12 17.183 -6.709 -7.623 1.00 2.42 H new ATOM 0 HD21 ASN A 12 19.740 -4.238 -9.586 1.00 73.25 H new ATOM 0 HD22 ASN A 12 18.031 -3.874 -9.320 1.00 73.25 H new ATOM 195 N SER A 13 15.887 -8.795 -8.107 1.00 15.42 N ATOM 196 CA SER A 13 14.996 -9.720 -7.415 1.00 2.01 C ATOM 197 C SER A 13 14.170 -8.992 -6.360 1.00 64.12 C ATOM 198 O SER A 13 13.242 -9.558 -5.784 1.00 55.22 O ATOM 199 CB SER A 13 15.801 -10.845 -6.762 1.00 4.24 C ATOM 200 OG SER A 13 15.286 -11.163 -5.481 1.00 14.12 O ATOM 0 H SER A 13 16.872 -8.896 -7.862 1.00 15.42 H new ATOM 0 HA SER A 13 14.316 -10.149 -8.151 1.00 2.01 H new ATOM 0 HB2 SER A 13 15.776 -11.730 -7.397 1.00 4.24 H new ATOM 0 HB3 SER A 13 16.845 -10.545 -6.673 1.00 4.24 H new ATOM 0 HG SER A 13 15.817 -11.886 -5.085 1.00 14.12 H new ATOM 206 N ASN A 14 14.514 -7.732 -6.113 1.00 2.51 N ATOM 207 CA ASN A 14 13.805 -6.926 -5.127 1.00 2.11 C ATOM 208 C ASN A 14 12.410 -6.562 -5.623 1.00 40.21 C ATOM 209 O ASN A 14 11.479 -6.405 -4.832 1.00 72.22 O ATOM 210 CB ASN A 14 14.596 -5.653 -4.815 1.00 71.03 C ATOM 211 CG ASN A 14 14.451 -4.602 -5.899 1.00 13.31 C ATOM 212 OD1 ASN A 14 14.626 -4.889 -7.084 1.00 35.41 O ATOM 213 ND2 ASN A 14 14.131 -3.378 -5.498 1.00 13.12 N ATOM 0 H ASN A 14 15.279 -7.248 -6.582 1.00 2.51 H new ATOM 0 HA ASN A 14 13.704 -7.516 -4.216 1.00 2.11 H new ATOM 0 HB2 ASN A 14 14.256 -5.241 -3.865 1.00 71.03 H new ATOM 0 HB3 ASN A 14 15.650 -5.904 -4.694 1.00 71.03 H new ATOM 0 HD21 ASN A 14 14.021 -2.630 -6.182 1.00 13.12 H new ATOM 0 HD22 ASN A 14 13.996 -3.186 -4.506 1.00 13.12 H new ATOM 220 N ASP A 15 12.271 -6.429 -6.937 1.00 65.41 N ATOM 221 CA ASP A 15 10.989 -6.085 -7.540 1.00 74.11 C ATOM 222 C ASP A 15 9.981 -7.214 -7.355 1.00 3.03 C ATOM 223 O ASP A 15 8.773 -6.982 -7.307 1.00 52.11 O ATOM 224 CB ASP A 15 11.166 -5.783 -9.030 1.00 34.42 C ATOM 225 CG ASP A 15 10.606 -4.428 -9.416 1.00 12.24 C ATOM 226 OD1 ASP A 15 9.366 -4.295 -9.480 1.00 11.11 O1- ATOM 227 OD2 ASP A 15 11.408 -3.501 -9.653 1.00 30.12 O ATOM 0 H ASP A 15 13.031 -6.554 -7.606 1.00 65.41 H new ATOM 0 HA ASP A 15 10.608 -5.195 -7.039 1.00 74.11 H new ATOM 0 HB2 ASP A 15 12.226 -5.820 -9.282 1.00 34.42 H new ATOM 0 HB3 ASP A 15 10.672 -6.558 -9.616 1.00 34.42 H new ATOM 232 N CYS A 16 10.485 -8.440 -7.250 1.00 23.35 N ATOM 233 CA CYS A 16 9.631 -9.606 -7.071 1.00 33.41 C ATOM 234 C CYS A 16 8.838 -9.506 -5.771 1.00 13.44 C ATOM 235 O CYS A 16 9.405 -9.284 -4.700 1.00 13.33 O ATOM 236 CB CYS A 16 10.470 -10.885 -7.071 1.00 65.34 C ATOM 237 SG CYS A 16 11.243 -11.266 -8.677 1.00 62.13 S ATOM 0 H CYS A 16 11.482 -8.650 -7.286 1.00 23.35 H new ATOM 0 HA CYS A 16 8.928 -9.640 -7.904 1.00 33.41 H new ATOM 0 HB2 CYS A 16 11.251 -10.795 -6.316 1.00 65.34 H new ATOM 0 HB3 CYS A 16 9.837 -11.722 -6.776 1.00 65.34 H new ATOM 242 N CYS A 17 7.524 -9.671 -5.871 1.00 51.51 N ATOM 243 CA CYS A 17 6.652 -9.599 -4.704 1.00 14.30 C ATOM 244 C CYS A 17 6.807 -10.842 -3.832 1.00 34.03 C ATOM 245 O CYS A 17 7.308 -10.768 -2.711 1.00 53.55 O ATOM 246 CB CYS A 17 5.193 -9.447 -5.140 1.00 32.13 C ATOM 247 SG CYS A 17 4.052 -9.029 -3.784 1.00 71.00 S ATOM 0 H CYS A 17 7.039 -9.856 -6.749 1.00 51.51 H new ATOM 0 HA CYS A 17 6.942 -8.727 -4.118 1.00 14.30 H new ATOM 0 HB2 CYS A 17 5.132 -8.672 -5.904 1.00 32.13 H new ATOM 0 HB3 CYS A 17 4.865 -10.377 -5.603 1.00 32.13 H new ATOM 252 N LYS A 18 6.372 -11.982 -4.356 1.00 2.41 N ATOM 253 CA LYS A 18 6.463 -13.242 -3.627 1.00 32.05 C ATOM 254 C LYS A 18 6.414 -14.429 -4.584 1.00 15.02 C ATOM 255 O LYS A 18 5.615 -14.451 -5.520 1.00 34.32 O ATOM 256 CB LYS A 18 5.326 -13.349 -2.608 1.00 73.25 C ATOM 257 CG LYS A 18 5.744 -13.993 -1.296 1.00 5.22 C ATOM 258 CD LYS A 18 6.634 -13.069 -0.481 1.00 54.05 C ATOM 259 CE LYS A 18 5.814 -12.070 0.322 1.00 51.15 C ATOM 260 NZ LYS A 18 5.670 -10.771 -0.391 1.00 61.42 N1+ ATOM 0 H LYS A 18 5.953 -12.060 -5.283 1.00 2.41 H new ATOM 0 HA LYS A 18 7.418 -13.260 -3.101 1.00 32.05 H new ATOM 0 HB2 LYS A 18 4.936 -12.352 -2.406 1.00 73.25 H new ATOM 0 HB3 LYS A 18 4.512 -13.928 -3.044 1.00 73.25 H new ATOM 0 HG2 LYS A 18 4.857 -14.250 -0.717 1.00 5.22 H new ATOM 0 HG3 LYS A 18 6.273 -14.924 -1.499 1.00 5.22 H new ATOM 0 HD2 LYS A 18 7.252 -13.660 0.195 1.00 54.05 H new ATOM 0 HD3 LYS A 18 7.311 -12.534 -1.147 1.00 54.05 H new ATOM 0 HE2 LYS A 18 4.827 -12.487 0.520 1.00 51.15 H new ATOM 0 HE3 LYS A 18 6.290 -11.903 1.288 1.00 51.15 H new ATOM 0 HZ1 LYS A 18 6.018 -10.001 0.216 1.00 61.42 H new ATOM 0 HZ2 LYS A 18 6.223 -10.795 -1.271 1.00 61.42 H new ATOM 0 HZ3 LYS A 18 4.668 -10.608 -0.616 1.00 61.42 H new ATOM 274 N ASP A 19 7.272 -15.414 -4.342 1.00 60.05 N ATOM 275 CA ASP A 19 7.325 -16.605 -5.182 1.00 34.00 C ATOM 276 C ASP A 19 7.779 -16.255 -6.595 1.00 62.31 C ATOM 277 O ASP A 19 7.552 -17.014 -7.538 1.00 74.31 O ATOM 278 CB ASP A 19 5.955 -17.284 -5.227 1.00 44.15 C ATOM 279 CG ASP A 19 5.972 -18.666 -4.603 1.00 0.10 C ATOM 280 OD1 ASP A 19 6.580 -18.822 -3.523 1.00 21.34 O1- ATOM 281 OD2 ASP A 19 5.378 -19.591 -5.194 1.00 31.11 O ATOM 0 H ASP A 19 7.940 -15.411 -3.571 1.00 60.05 H new ATOM 0 HA ASP A 19 8.050 -17.293 -4.748 1.00 34.00 H new ATOM 0 HB2 ASP A 19 5.227 -16.662 -4.705 1.00 44.15 H new ATOM 0 HB3 ASP A 19 5.625 -17.360 -6.263 1.00 44.15 H new ATOM 286 N LEU A 20 8.422 -15.101 -6.735 1.00 15.45 N ATOM 287 CA LEU A 20 8.907 -14.648 -8.034 1.00 3.34 C ATOM 288 C LEU A 20 10.413 -14.404 -7.997 1.00 15.22 C ATOM 289 O LEU A 20 10.973 -14.075 -6.951 1.00 54.12 O ATOM 290 CB LEU A 20 8.183 -13.369 -8.454 1.00 32.33 C ATOM 291 CG LEU A 20 6.911 -13.560 -9.282 1.00 1.30 C ATOM 292 CD1 LEU A 20 6.140 -14.780 -8.803 1.00 64.44 C ATOM 293 CD2 LEU A 20 6.037 -12.315 -9.213 1.00 74.21 C ATOM 0 H LEU A 20 8.620 -14.462 -5.965 1.00 15.45 H new ATOM 0 HA LEU A 20 8.701 -15.431 -8.764 1.00 3.34 H new ATOM 0 HB2 LEU A 20 7.927 -12.808 -7.555 1.00 32.33 H new ATOM 0 HB3 LEU A 20 8.877 -12.754 -9.027 1.00 32.33 H new ATOM 0 HG LEU A 20 7.198 -13.722 -10.321 1.00 1.30 H new ATOM 0 HD11 LEU A 20 5.238 -14.900 -9.404 1.00 64.44 H new ATOM 0 HD12 LEU A 20 6.764 -15.668 -8.905 1.00 64.44 H new ATOM 0 HD13 LEU A 20 5.864 -14.648 -7.757 1.00 64.44 H new ATOM 0 HD21 LEU A 20 5.137 -12.469 -9.808 1.00 74.21 H new ATOM 0 HD22 LEU A 20 5.759 -12.123 -8.177 1.00 74.21 H new ATOM 0 HD23 LEU A 20 6.589 -11.461 -9.605 1.00 74.21 H new ATOM 305 N VAL A 21 11.062 -14.565 -9.146 1.00 12.02 N ATOM 306 CA VAL A 21 12.501 -14.359 -9.247 1.00 44.43 C ATOM 307 C VAL A 21 12.867 -13.662 -10.553 1.00 71.53 C ATOM 308 O VAL A 21 12.469 -14.097 -11.633 1.00 64.04 O ATOM 309 CB VAL A 21 13.267 -15.692 -9.157 1.00 20.32 C ATOM 310 CG1 VAL A 21 13.179 -16.265 -7.750 1.00 31.34 C ATOM 311 CG2 VAL A 21 12.732 -16.683 -10.179 1.00 70.34 C ATOM 0 H VAL A 21 10.613 -14.838 -10.020 1.00 12.02 H new ATOM 0 HA VAL A 21 12.789 -13.726 -8.408 1.00 44.43 H new ATOM 0 HB VAL A 21 14.317 -15.504 -9.382 1.00 20.32 H new ATOM 0 HG11 VAL A 21 13.726 -17.207 -7.706 1.00 31.34 H new ATOM 0 HG12 VAL A 21 13.614 -15.559 -7.042 1.00 31.34 H new ATOM 0 HG13 VAL A 21 12.134 -16.440 -7.493 1.00 31.34 H new ATOM 0 HG21 VAL A 21 13.284 -17.619 -10.102 1.00 70.34 H new ATOM 0 HG22 VAL A 21 11.675 -16.868 -9.987 1.00 70.34 H new ATOM 0 HG23 VAL A 21 12.852 -16.272 -11.182 1.00 70.34 H new ATOM 321 N CYS A 22 13.628 -12.578 -10.445 1.00 50.54 N ATOM 322 CA CYS A 22 14.050 -11.820 -11.617 1.00 71.21 C ATOM 323 C CYS A 22 14.873 -12.690 -12.562 1.00 73.43 C ATOM 324 O CYS A 22 15.979 -13.115 -12.225 1.00 44.52 O ATOM 325 CB CYS A 22 14.864 -10.596 -11.193 1.00 74.43 C ATOM 326 SG CYS A 22 14.850 -9.237 -12.407 1.00 14.40 S ATOM 0 H CYS A 22 13.965 -12.205 -9.558 1.00 50.54 H new ATOM 0 HA CYS A 22 13.156 -11.488 -12.145 1.00 71.21 H new ATOM 0 HB2 CYS A 22 14.476 -10.226 -10.244 1.00 74.43 H new ATOM 0 HB3 CYS A 22 15.895 -10.902 -11.018 1.00 74.43 H new ATOM 331 N SER A 23 14.327 -12.953 -13.744 1.00 64.24 N ATOM 332 CA SER A 23 15.009 -13.775 -14.737 1.00 31.22 C ATOM 333 C SER A 23 15.473 -12.929 -15.917 1.00 73.33 C ATOM 334 O SER A 23 14.661 -12.405 -16.678 1.00 61.23 O ATOM 335 CB SER A 23 14.083 -14.891 -15.228 1.00 40.14 C ATOM 336 OG SER A 23 14.378 -16.119 -14.584 1.00 31.01 O ATOM 0 H SER A 23 13.413 -12.609 -14.038 1.00 64.24 H new ATOM 0 HA SER A 23 15.885 -14.220 -14.265 1.00 31.22 H new ATOM 0 HB2 SER A 23 13.045 -14.617 -15.038 1.00 40.14 H new ATOM 0 HB3 SER A 23 14.189 -15.008 -16.307 1.00 40.14 H new ATOM 0 HG SER A 23 14.163 -16.863 -15.184 1.00 31.01 H new ATOM 342 N SER A 24 16.789 -12.799 -16.062 1.00 1.30 N ATOM 343 CA SER A 24 17.365 -12.013 -17.147 1.00 51.40 C ATOM 344 C SER A 24 17.113 -12.682 -18.495 1.00 24.35 C ATOM 345 O SER A 24 17.310 -12.075 -19.548 1.00 53.40 O ATOM 346 CB SER A 24 18.867 -11.828 -16.929 1.00 44.52 C ATOM 347 OG SER A 24 19.484 -11.268 -18.076 1.00 33.02 O ATOM 0 H SER A 24 17.476 -13.228 -15.442 1.00 1.30 H new ATOM 0 HA SER A 24 16.883 -11.035 -17.151 1.00 51.40 H new ATOM 0 HB2 SER A 24 19.036 -11.180 -16.069 1.00 44.52 H new ATOM 0 HB3 SER A 24 19.325 -12.790 -16.699 1.00 44.52 H new ATOM 0 HG SER A 24 18.892 -11.373 -18.850 1.00 33.02 H new ATOM 353 N ARG A 25 16.676 -13.936 -18.453 1.00 75.21 N ATOM 354 CA ARG A 25 16.397 -14.689 -19.671 1.00 43.25 C ATOM 355 C ARG A 25 15.129 -14.178 -20.348 1.00 61.22 C ATOM 356 O ARG A 25 15.107 -13.954 -21.559 1.00 1.33 O ATOM 357 CB ARG A 25 16.254 -16.179 -19.353 1.00 4.34 C ATOM 358 CG ARG A 25 15.573 -16.973 -20.455 1.00 65.22 C ATOM 359 CD ARG A 25 15.830 -18.465 -20.307 1.00 1.10 C ATOM 360 NE ARG A 25 15.660 -19.177 -21.571 1.00 14.51 N ATOM 361 CZ ARG A 25 16.581 -19.206 -22.528 1.00 61.34 C ATOM 362 NH1 ARG A 25 17.730 -18.566 -22.366 1.00 4.04 N1+ ATOM 363 NH2 ARG A 25 16.353 -19.877 -23.650 1.00 71.15 N ATOM 0 H ARG A 25 16.507 -14.452 -17.590 1.00 75.21 H new ATOM 0 HA ARG A 25 17.234 -14.549 -20.355 1.00 43.25 H new ATOM 0 HB2 ARG A 25 17.243 -16.600 -19.171 1.00 4.34 H new ATOM 0 HB3 ARG A 25 15.685 -16.292 -18.430 1.00 4.34 H new ATOM 0 HG2 ARG A 25 14.500 -16.783 -20.432 1.00 65.22 H new ATOM 0 HG3 ARG A 25 15.935 -16.635 -21.426 1.00 65.22 H new ATOM 0 HD2 ARG A 25 16.842 -18.623 -19.935 1.00 1.10 H new ATOM 0 HD3 ARG A 25 15.149 -18.878 -19.563 1.00 1.10 H new ATOM 0 HE ARG A 25 14.786 -19.679 -21.727 1.00 14.51 H new ATOM 0 HH11 ARG A 25 17.909 -18.049 -21.505 1.00 4.04 H new ATOM 0 HH12 ARG A 25 18.435 -18.590 -23.102 1.00 4.04 H new ATOM 0 HH21 ARG A 25 15.470 -20.371 -23.778 1.00 71.15 H new ATOM 0 HH22 ARG A 25 17.061 -19.899 -24.384 1.00 71.15 H new ATOM 377 N TRP A 26 14.076 -13.997 -19.560 1.00 21.33 N ATOM 378 CA TRP A 26 12.804 -13.514 -20.084 1.00 11.24 C ATOM 379 C TRP A 26 12.685 -12.003 -19.918 1.00 12.14 C ATOM 380 O TRP A 26 11.728 -11.389 -20.389 1.00 65.35 O ATOM 381 CB TRP A 26 11.639 -14.209 -19.377 1.00 62.44 C ATOM 382 CG TRP A 26 11.860 -15.678 -19.175 1.00 50.52 C ATOM 383 CD1 TRP A 26 12.315 -16.290 -18.042 1.00 3.34 C ATOM 384 CD2 TRP A 26 11.637 -16.719 -20.133 1.00 24.03 C ATOM 385 NE1 TRP A 26 12.388 -17.648 -18.238 1.00 52.52 N ATOM 386 CE2 TRP A 26 11.977 -17.936 -19.512 1.00 21.43 C ATOM 387 CE3 TRP A 26 11.182 -16.740 -21.454 1.00 45.11 C ATOM 388 CZ2 TRP A 26 11.875 -19.159 -20.169 1.00 0.31 C ATOM 389 CZ3 TRP A 26 11.082 -17.955 -22.104 1.00 40.20 C ATOM 390 CH2 TRP A 26 11.427 -19.151 -21.462 1.00 42.31 C ATOM 0 H TRP A 26 14.078 -14.177 -18.556 1.00 21.33 H new ATOM 0 HA TRP A 26 12.767 -13.749 -21.148 1.00 11.24 H new ATOM 0 HB2 TRP A 26 11.477 -13.736 -18.408 1.00 62.44 H new ATOM 0 HB3 TRP A 26 10.730 -14.062 -19.960 1.00 62.44 H new ATOM 0 HD1 TRP A 26 12.579 -15.781 -17.127 1.00 3.34 H new ATOM 0 HE1 TRP A 26 12.698 -18.331 -17.547 1.00 52.52 H new ATOM 0 HE3 TRP A 26 10.913 -15.823 -21.958 1.00 45.11 H new ATOM 0 HZ2 TRP A 26 12.140 -20.082 -19.675 1.00 0.31 H new ATOM 0 HZ3 TRP A 26 10.732 -17.983 -23.125 1.00 40.20 H new ATOM 0 HH2 TRP A 26 11.338 -20.085 -21.998 1.00 42.31 H new ATOM 401 N LYS A 27 13.665 -11.407 -19.245 1.00 43.14 N ATOM 402 CA LYS A 27 13.672 -9.967 -19.018 1.00 71.25 C ATOM 403 C LYS A 27 12.574 -9.566 -18.037 1.00 75.02 C ATOM 404 O LYS A 27 12.106 -8.428 -18.048 1.00 43.34 O ATOM 405 CB LYS A 27 13.486 -9.220 -20.341 1.00 41.51 C ATOM 406 CG LYS A 27 14.303 -9.796 -21.484 1.00 33.01 C ATOM 407 CD LYS A 27 15.785 -9.822 -21.153 1.00 24.01 C ATOM 408 CE LYS A 27 16.592 -10.483 -22.260 1.00 21.54 C ATOM 409 NZ LYS A 27 17.068 -9.494 -23.266 1.00 72.21 N1+ ATOM 0 H LYS A 27 14.465 -11.900 -18.847 1.00 43.14 H new ATOM 0 HA LYS A 27 14.636 -9.697 -18.588 1.00 71.25 H new ATOM 0 HB2 LYS A 27 12.431 -9.239 -20.614 1.00 41.51 H new ATOM 0 HB3 LYS A 27 13.760 -8.175 -20.200 1.00 41.51 H new ATOM 0 HG2 LYS A 27 13.961 -10.807 -21.703 1.00 33.01 H new ATOM 0 HG3 LYS A 27 14.141 -9.202 -22.384 1.00 33.01 H new ATOM 0 HD2 LYS A 27 16.142 -8.804 -20.999 1.00 24.01 H new ATOM 0 HD3 LYS A 27 15.941 -10.359 -20.217 1.00 24.01 H new ATOM 0 HE2 LYS A 27 17.448 -11.000 -21.826 1.00 21.54 H new ATOM 0 HE3 LYS A 27 15.980 -11.238 -22.754 1.00 21.54 H new ATOM 0 HZ1 LYS A 27 17.614 -9.984 -24.003 1.00 72.21 H new ATOM 0 HZ2 LYS A 27 16.251 -9.018 -23.699 1.00 72.21 H new ATOM 0 HZ3 LYS A 27 17.673 -8.788 -22.800 1.00 72.21 H new ATOM 423 N TRP A 28 12.172 -10.507 -17.190 1.00 25.15 N ATOM 424 CA TRP A 28 11.131 -10.249 -16.201 1.00 74.44 C ATOM 425 C TRP A 28 11.103 -11.346 -15.143 1.00 44.12 C ATOM 426 O TRP A 28 11.740 -12.389 -15.298 1.00 32.41 O ATOM 427 CB TRP A 28 9.766 -10.146 -16.883 1.00 20.43 C ATOM 428 CG TRP A 28 9.377 -11.389 -17.626 1.00 62.43 C ATOM 429 CD1 TRP A 28 9.284 -12.652 -17.116 1.00 11.34 C ATOM 430 CD2 TRP A 28 9.031 -11.486 -19.012 1.00 52.54 C ATOM 431 NE1 TRP A 28 8.901 -13.530 -18.102 1.00 72.13 N ATOM 432 CE2 TRP A 28 8.738 -12.839 -19.273 1.00 45.42 C ATOM 433 CE3 TRP A 28 8.937 -10.563 -20.056 1.00 64.25 C ATOM 434 CZ2 TRP A 28 8.361 -13.288 -20.536 1.00 13.35 C ATOM 435 CZ3 TRP A 28 8.562 -11.010 -21.309 1.00 13.32 C ATOM 436 CH2 TRP A 28 8.277 -12.362 -21.540 1.00 71.13 C ATOM 0 H TRP A 28 12.550 -11.454 -17.168 1.00 25.15 H new ATOM 0 HA TRP A 28 11.356 -9.302 -15.710 1.00 74.44 H new ATOM 0 HB2 TRP A 28 9.008 -9.929 -16.131 1.00 20.43 H new ATOM 0 HB3 TRP A 28 9.777 -9.305 -17.577 1.00 20.43 H new ATOM 0 HD1 TRP A 28 9.482 -12.922 -16.089 1.00 11.34 H new ATOM 0 HE1 TRP A 28 8.761 -14.533 -17.981 1.00 72.13 H new ATOM 0 HE3 TRP A 28 9.153 -9.518 -19.887 1.00 64.25 H new ATOM 0 HZ2 TRP A 28 8.143 -14.330 -20.717 1.00 13.35 H new ATOM 0 HZ3 TRP A 28 8.487 -10.305 -22.124 1.00 13.32 H new ATOM 0 HH2 TRP A 28 7.985 -12.680 -22.530 1.00 71.13 H new ATOM 447 N CYS A 29 10.360 -11.105 -14.068 1.00 34.14 N ATOM 448 CA CYS A 29 10.249 -12.073 -12.982 1.00 4.32 C ATOM 449 C CYS A 29 9.453 -13.298 -13.425 1.00 65.42 C ATOM 450 O CYS A 29 8.426 -13.175 -14.093 1.00 54.55 O ATOM 451 CB CYS A 29 9.582 -11.431 -11.764 1.00 2.32 C ATOM 452 SG CYS A 29 10.756 -10.797 -10.522 1.00 13.01 S ATOM 0 H CYS A 29 9.826 -10.248 -13.925 1.00 34.14 H new ATOM 0 HA CYS A 29 11.255 -12.393 -12.710 1.00 4.32 H new ATOM 0 HB2 CYS A 29 8.947 -10.611 -12.100 1.00 2.32 H new ATOM 0 HB3 CYS A 29 8.930 -12.165 -11.291 1.00 2.32 H new ATOM 457 N VAL A 30 9.935 -14.477 -13.048 1.00 54.32 N ATOM 458 CA VAL A 30 9.268 -15.725 -13.404 1.00 70.23 C ATOM 459 C VAL A 30 8.982 -16.568 -12.167 1.00 25.44 C ATOM 460 O VAL A 30 9.674 -16.458 -11.154 1.00 2.32 O ATOM 461 CB VAL A 30 10.113 -16.551 -14.391 1.00 41.32 C ATOM 462 CG1 VAL A 30 10.103 -15.910 -15.771 1.00 55.45 C ATOM 463 CG2 VAL A 30 11.537 -16.702 -13.876 1.00 33.45 C ATOM 0 H VAL A 30 10.785 -14.595 -12.496 1.00 54.32 H new ATOM 0 HA VAL A 30 8.326 -15.455 -13.881 1.00 70.23 H new ATOM 0 HB VAL A 30 9.673 -17.545 -14.475 1.00 41.32 H new ATOM 0 HG11 VAL A 30 10.706 -16.508 -16.454 1.00 55.45 H new ATOM 0 HG12 VAL A 30 9.079 -15.858 -16.141 1.00 55.45 H new ATOM 0 HG13 VAL A 30 10.517 -14.904 -15.708 1.00 55.45 H new ATOM 0 HG21 VAL A 30 12.120 -17.288 -14.586 1.00 33.45 H new ATOM 0 HG22 VAL A 30 11.989 -15.717 -13.761 1.00 33.45 H new ATOM 0 HG23 VAL A 30 11.523 -17.209 -12.911 1.00 33.45 H new ATOM 473 N LEU A 31 7.959 -17.409 -12.254 1.00 4.15 N ATOM 474 CA LEU A 31 7.581 -18.274 -11.142 1.00 75.23 C ATOM 475 C LEU A 31 8.766 -19.115 -10.679 1.00 50.02 C ATOM 476 O LEU A 31 9.239 -19.991 -11.403 1.00 22.54 O ATOM 477 CB LEU A 31 6.422 -19.186 -11.549 1.00 61.45 C ATOM 478 CG LEU A 31 5.044 -18.800 -11.010 1.00 2.24 C ATOM 479 CD1 LEU A 31 5.031 -18.853 -9.490 1.00 35.22 C ATOM 480 CD2 LEU A 31 4.647 -17.415 -11.501 1.00 41.33 C ATOM 0 H LEU A 31 7.375 -17.511 -13.084 1.00 4.15 H new ATOM 0 HA LEU A 31 7.263 -17.641 -10.314 1.00 75.23 H new ATOM 0 HB2 LEU A 31 6.370 -19.211 -12.637 1.00 61.45 H new ATOM 0 HB3 LEU A 31 6.649 -20.199 -11.217 1.00 61.45 H new ATOM 0 HG LEU A 31 4.315 -19.519 -11.384 1.00 2.24 H new ATOM 0 HD11 LEU A 31 4.042 -18.575 -9.125 1.00 35.22 H new ATOM 0 HD12 LEU A 31 5.269 -19.864 -9.159 1.00 35.22 H new ATOM 0 HD13 LEU A 31 5.772 -18.158 -9.095 1.00 35.22 H new ATOM 0 HD21 LEU A 31 3.664 -17.157 -11.107 1.00 41.33 H new ATOM 0 HD22 LEU A 31 5.378 -16.684 -11.157 1.00 41.33 H new ATOM 0 HD23 LEU A 31 4.614 -17.411 -12.590 1.00 41.33 H new ATOM 492 N ALA A 32 9.240 -18.844 -9.467 1.00 4.33 N ATOM 493 CA ALA A 32 10.366 -19.579 -8.906 1.00 15.15 C ATOM 494 C ALA A 32 10.025 -21.055 -8.724 1.00 55.54 C ATOM 495 O ALA A 32 8.956 -21.395 -8.216 1.00 73.11 O ATOM 496 CB ALA A 32 10.788 -18.966 -7.579 1.00 71.52 C ATOM 0 H ALA A 32 8.861 -18.121 -8.855 1.00 4.33 H new ATOM 0 HA ALA A 32 11.197 -19.510 -9.607 1.00 15.15 H new ATOM 0 HB1 ALA A 32 11.630 -19.525 -7.171 1.00 71.52 H new ATOM 0 HB2 ALA A 32 11.083 -17.928 -7.735 1.00 71.52 H new ATOM 0 HB3 ALA A 32 9.954 -19.005 -6.879 1.00 71.52 H new ATOM 502 N SER A 33 10.937 -21.924 -9.144 1.00 5.52 N ATOM 503 CA SER A 33 10.730 -23.364 -9.032 1.00 3.12 C ATOM 504 C SER A 33 11.318 -23.897 -7.729 1.00 20.44 C ATOM 505 O SER A 33 12.167 -23.268 -7.098 1.00 14.20 O ATOM 506 CB SER A 33 11.362 -24.086 -10.223 1.00 12.34 C ATOM 507 OG SER A 33 10.431 -24.233 -11.283 1.00 42.23 O ATOM 0 H SER A 33 11.827 -21.657 -9.565 1.00 5.52 H new ATOM 0 HA SER A 33 9.656 -23.553 -9.030 1.00 3.12 H new ATOM 0 HB2 SER A 33 12.230 -23.527 -10.572 1.00 12.34 H new ATOM 0 HB3 SER A 33 11.719 -25.067 -9.910 1.00 12.34 H new ATOM 0 HG SER A 33 10.860 -24.696 -12.033 1.00 42.23 H new ATOM 513 N PRO A 34 10.855 -25.087 -7.315 1.00 13.32 N ATOM 514 CA PRO A 34 11.322 -25.733 -6.085 1.00 50.50 C ATOM 515 C PRO A 34 12.762 -26.220 -6.197 1.00 43.10 C ATOM 516 O PRO A 34 13.465 -26.347 -5.193 1.00 12.32 O ATOM 517 CB PRO A 34 10.367 -26.918 -5.923 1.00 41.21 C ATOM 518 CG PRO A 34 9.895 -27.215 -7.304 1.00 4.12 C ATOM 519 CD PRO A 34 9.843 -25.892 -8.018 1.00 51.01 C ATOM 0 HA PRO A 34 11.320 -25.047 -5.238 1.00 50.50 H new ATOM 0 HB2 PRO A 34 10.874 -27.778 -5.484 1.00 41.21 H new ATOM 0 HB3 PRO A 34 9.535 -26.669 -5.265 1.00 41.21 H new ATOM 0 HG2 PRO A 34 10.573 -27.904 -7.808 1.00 4.12 H new ATOM 0 HG3 PRO A 34 8.913 -27.688 -7.287 1.00 4.12 H new ATOM 0 HD2 PRO A 34 10.078 -25.997 -9.077 1.00 51.01 H new ATOM 0 HD3 PRO A 34 8.854 -25.439 -7.954 1.00 51.01 H new ATOM 527 N PHE A 35 13.197 -26.494 -7.422 1.00 64.13 N ATOM 528 CA PHE A 35 14.553 -26.969 -7.664 1.00 72.03 C ATOM 529 C PHE A 35 15.520 -25.798 -7.825 1.00 44.31 C ATOM 530 O PHE A 35 16.420 -25.607 -7.009 1.00 62.35 O ATOM 531 CB PHE A 35 14.592 -27.852 -8.913 1.00 53.23 C ATOM 532 CG PHE A 35 15.892 -28.585 -9.089 1.00 63.23 C ATOM 533 CD1 PHE A 35 16.136 -29.763 -8.401 1.00 5.32 C ATOM 534 CD2 PHE A 35 16.868 -28.098 -9.942 1.00 33.02 C ATOM 535 CE1 PHE A 35 17.331 -30.439 -8.560 1.00 42.13 C ATOM 536 CE2 PHE A 35 18.065 -28.769 -10.105 1.00 33.23 C ATOM 537 CZ PHE A 35 18.296 -29.942 -9.414 1.00 1.41 C ATOM 0 H PHE A 35 12.629 -26.395 -8.263 1.00 64.13 H new ATOM 0 HA PHE A 35 14.864 -27.558 -6.801 1.00 72.03 H new ATOM 0 HB2 PHE A 35 13.780 -28.577 -8.861 1.00 53.23 H new ATOM 0 HB3 PHE A 35 14.411 -27.233 -9.792 1.00 53.23 H new ATOM 0 HD1 PHE A 35 15.384 -30.157 -7.733 1.00 5.32 H new ATOM 0 HD2 PHE A 35 16.692 -27.182 -10.487 1.00 33.02 H new ATOM 0 HE1 PHE A 35 17.510 -31.355 -8.017 1.00 42.13 H new ATOM 0 HE2 PHE A 35 18.819 -28.377 -10.772 1.00 33.23 H new ATOM 0 HZ PHE A 35 19.230 -30.470 -9.541 1.00 1.41 H new TER 547 PHE A 35