USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 446 hydrogens (8 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: 5 24 ASN : amide:sc= 0.41 K(o=1.2,f=-10!) USER MOD Set 1.2: 5 31 GLN : amide:sc= 0.829 K(o=1.2,f=-10) USER MOD Single : 5 1 ARG N :NH3+ -116:sc= -1.81! (180deg=-6.65!) USER MOD Single : 5 10 TYR OH : rot 180:sc= 0 USER MOD Single : 5 11 THR OG1 : rot -53:sc= 1.3 USER MOD Single : 5 15 LYS NZ :NH3+ -144:sc= -2.99! (180deg=-8.24!) USER MOD Single : 5 21 TYR OH : rot 180:sc= 0 USER MOD Single : 5 23 TYR OH : rot 0:sc= -2.08! USER MOD Single : 5 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 5 32 THR OG1 : rot 180:sc= 0.00869 USER MOD Single : 5 35 TYR OH : rot -158:sc= -0.749 USER MOD Single : 5 41 LYS NZ :NH3+ -117:sc= -0.884! (180deg=-7.25!) USER MOD Single : 5 43 ASN : amide:sc= 3 K(o=3,f=-9.7!) USER MOD Single : 5 44 ASN : amide:sc= 1.27 K(o=1.3,f=-5.8!) USER MOD Single : 5 46 LYS NZ :NH3+ 148:sc= -0.0097 (180deg=-0.0711) USER MOD Single : 5 47 SER OG : rot -128:sc= 1.67 USER MOD Single : 5 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 5 54 THR OG1 : rot 102:sc= -2.58! USER MOD ----------------------------------------------------------------- ATOM 1 N ARG 5 1 28.485 14.609 -11.015 1.00 28.28 N ATOM 2 CA ARG 5 1 29.106 13.359 -10.488 1.00 27.90 C ATOM 3 C ARG 5 1 30.608 13.309 -10.842 1.00 24.90 C ATOM 4 O ARG 5 1 31.043 12.450 -11.582 1.00 24.44 O ATOM 5 CB ARG 5 1 28.382 12.143 -11.086 1.00 27.88 C ATOM 6 CG ARG 5 1 28.366 12.233 -12.619 1.00 29.61 C ATOM 7 CD ARG 5 1 27.657 11.011 -13.209 1.00 31.91 C ATOM 8 NE ARG 5 1 26.624 11.466 -14.197 1.00 33.51 N ATOM 9 CZ ARG 5 1 25.745 12.383 -13.891 1.00 34.29 C ATOM 10 NH1 ARG 5 1 25.571 12.754 -12.666 1.00 35.44 N ATOM 11 NH2 ARG 5 1 24.993 12.882 -14.813 1.00 34.48 N ATOM 0 H1 ARG 5 1 28.153 15.193 -10.221 1.00 28.28 H new ATOM 0 H2 ARG 5 1 29.189 15.141 -11.565 1.00 28.28 H new ATOM 0 H3 ARG 5 1 27.680 14.366 -11.626 1.00 28.28 H new ATOM 0 HA ARG 5 1 29.011 13.343 -9.402 1.00 27.90 H new ATOM 0 HB2 ARG 5 1 28.880 11.225 -10.774 1.00 27.88 H new ATOM 0 HB3 ARG 5 1 27.361 12.096 -10.707 1.00 27.88 H new ATOM 0 HG2 ARG 5 1 27.858 13.145 -12.932 1.00 29.61 H new ATOM 0 HG3 ARG 5 1 29.386 12.290 -12.999 1.00 29.61 H new ATOM 0 HD2 ARG 5 1 28.380 10.357 -13.697 1.00 31.91 H new ATOM 0 HD3 ARG 5 1 27.187 10.431 -12.415 1.00 31.91 H new ATOM 0 HE ARG 5 1 26.607 11.050 -15.128 1.00 33.51 H new ATOM 0 HH11 ARG 5 1 26.124 12.330 -11.921 1.00 35.44 H new ATOM 0 HH12 ARG 5 1 24.881 13.471 -12.443 1.00 35.44 H new ATOM 0 HH21 ARG 5 1 25.086 12.560 -15.777 1.00 34.48 H new ATOM 0 HH22 ARG 5 1 24.306 13.598 -14.578 1.00 34.48 H new ATOM 27 N PRO 5 2 31.391 14.230 -10.315 1.00 22.41 N ATOM 28 CA PRO 5 2 32.871 14.286 -10.571 1.00 19.52 C ATOM 29 C PRO 5 2 33.634 13.082 -9.977 1.00 17.70 C ATOM 30 O PRO 5 2 33.109 11.987 -9.875 1.00 16.41 O ATOM 31 CB PRO 5 2 33.317 15.601 -9.901 1.00 21.00 C ATOM 32 CG PRO 5 2 32.060 16.368 -9.631 1.00 20.91 C ATOM 33 CD PRO 5 2 30.965 15.324 -9.430 1.00 22.49 C ATOM 0 HA PRO 5 2 33.088 14.247 -11.638 1.00 19.52 H new ATOM 0 HB2 PRO 5 2 33.861 15.404 -8.977 1.00 21.00 H new ATOM 0 HB3 PRO 5 2 33.986 16.164 -10.551 1.00 21.00 H new ATOM 0 HG2 PRO 5 2 32.168 16.995 -8.746 1.00 20.91 H new ATOM 0 HG3 PRO 5 2 31.820 17.030 -10.463 1.00 20.91 H new ATOM 0 HD2 PRO 5 2 30.900 15.001 -8.391 1.00 22.49 H new ATOM 0 HD3 PRO 5 2 29.983 15.709 -9.707 1.00 22.49 H new ATOM 41 N ASP 5 3 34.871 13.278 -9.582 1.00 16.15 N ATOM 42 CA ASP 5 3 35.666 12.154 -9.002 1.00 17.15 C ATOM 43 C ASP 5 3 34.979 11.608 -7.744 1.00 13.33 C ATOM 44 O ASP 5 3 34.661 10.436 -7.671 1.00 12.36 O ATOM 45 CB ASP 5 3 37.079 12.648 -8.654 1.00 24.92 C ATOM 46 CG ASP 5 3 37.001 13.930 -7.825 1.00 31.50 C ATOM 47 OD1 ASP 5 3 36.552 14.929 -8.356 1.00 35.43 O ATOM 48 OD2 ASP 5 3 37.396 13.892 -6.672 1.00 35.71 O ATOM 0 H ASP 5 3 35.362 14.170 -9.638 1.00 16.15 H new ATOM 0 HA ASP 5 3 35.734 11.352 -9.737 1.00 17.15 H new ATOM 0 HB2 ASP 5 3 37.614 11.879 -8.098 1.00 24.92 H new ATOM 0 HB3 ASP 5 3 37.643 12.831 -9.568 1.00 24.92 H new ATOM 53 N PHE 5 4 34.754 12.439 -6.756 1.00 12.38 N ATOM 54 CA PHE 5 4 34.089 11.963 -5.500 1.00 13.61 C ATOM 55 C PHE 5 4 32.660 11.490 -5.809 1.00 13.10 C ATOM 56 O PHE 5 4 31.710 11.846 -5.140 1.00 13.82 O ATOM 57 CB PHE 5 4 34.060 13.099 -4.462 1.00 12.65 C ATOM 58 CG PHE 5 4 33.660 14.409 -5.106 1.00 12.81 C ATOM 59 CD1 PHE 5 4 32.308 14.752 -5.217 1.00 12.38 C ATOM 60 CD2 PHE 5 4 34.642 15.288 -5.578 1.00 13.29 C ATOM 61 CE1 PHE 5 4 31.938 15.969 -5.800 1.00 14.62 C ATOM 62 CE2 PHE 5 4 34.273 16.504 -6.162 1.00 14.01 C ATOM 63 CZ PHE 5 4 32.921 16.844 -6.273 1.00 13.69 C ATOM 0 H PHE 5 4 35.002 13.428 -6.764 1.00 12.38 H new ATOM 0 HA PHE 5 4 34.655 11.126 -5.092 1.00 13.61 H new ATOM 0 HB2 PHE 5 4 33.358 12.851 -3.666 1.00 12.65 H new ATOM 0 HB3 PHE 5 4 35.042 13.201 -4.001 1.00 12.65 H new ATOM 0 HD1 PHE 5 4 31.549 14.076 -4.852 1.00 12.38 H new ATOM 0 HD2 PHE 5 4 35.686 15.027 -5.491 1.00 13.29 H new ATOM 0 HE1 PHE 5 4 30.894 16.232 -5.885 1.00 14.62 H new ATOM 0 HE2 PHE 5 4 35.032 17.180 -6.527 1.00 14.01 H new ATOM 0 HZ PHE 5 4 32.636 17.783 -6.724 1.00 13.69 H new ATOM 73 N CYS 5 5 32.508 10.683 -6.820 1.00 12.49 N ATOM 74 CA CYS 5 5 31.149 10.181 -7.184 1.00 10.18 C ATOM 75 C CYS 5 5 31.245 8.772 -7.773 1.00 10.29 C ATOM 76 O CYS 5 5 30.276 8.252 -8.288 1.00 10.73 O ATOM 77 CB CYS 5 5 30.540 11.116 -8.228 1.00 10.74 C ATOM 78 SG CYS 5 5 30.288 12.751 -7.496 1.00 12.66 S ATOM 0 H CYS 5 5 33.266 10.347 -7.413 1.00 12.49 H new ATOM 0 HA CYS 5 5 30.526 10.152 -6.290 1.00 10.18 H new ATOM 0 HB2 CYS 5 5 31.198 11.190 -9.094 1.00 10.74 H new ATOM 0 HB3 CYS 5 5 29.591 10.714 -8.583 1.00 10.74 H new ATOM 83 N LEU 5 6 32.400 8.159 -7.702 1.00 10.75 N ATOM 84 CA LEU 5 6 32.568 6.780 -8.268 1.00 12.75 C ATOM 85 C LEU 5 6 32.769 5.753 -7.144 1.00 13.85 C ATOM 86 O LEU 5 6 32.210 4.677 -7.180 1.00 15.33 O ATOM 87 CB LEU 5 6 33.786 6.756 -9.196 1.00 14.73 C ATOM 88 CG LEU 5 6 33.476 7.535 -10.478 1.00 16.78 C ATOM 89 CD1 LEU 5 6 34.423 8.730 -10.597 1.00 17.42 C ATOM 90 CD2 LEU 5 6 33.666 6.619 -11.688 1.00 16.88 C ATOM 0 H LEU 5 6 33.238 8.554 -7.275 1.00 10.75 H new ATOM 0 HA LEU 5 6 31.668 6.520 -8.825 1.00 12.75 H new ATOM 0 HB2 LEU 5 6 34.647 7.195 -8.692 1.00 14.73 H new ATOM 0 HB3 LEU 5 6 34.049 5.727 -9.439 1.00 14.73 H new ATOM 0 HG LEU 5 6 32.446 7.890 -10.443 1.00 16.78 H new ATOM 0 HD11 LEU 5 6 34.200 9.282 -11.510 1.00 17.42 H new ATOM 0 HD12 LEU 5 6 34.292 9.385 -9.736 1.00 17.42 H new ATOM 0 HD13 LEU 5 6 35.453 8.376 -10.630 1.00 17.42 H new ATOM 0 HD21 LEU 5 6 33.446 7.172 -12.601 1.00 16.88 H new ATOM 0 HD22 LEU 5 6 34.696 6.265 -11.718 1.00 16.88 H new ATOM 0 HD23 LEU 5 6 32.991 5.767 -11.608 1.00 16.88 H new ATOM 102 N GLU 5 7 33.555 6.073 -6.144 1.00 12.79 N ATOM 103 CA GLU 5 7 33.781 5.108 -5.023 1.00 15.64 C ATOM 104 C GLU 5 7 32.435 4.771 -4.347 1.00 12.90 C ATOM 105 O GLU 5 7 31.696 5.654 -3.940 1.00 12.97 O ATOM 106 CB GLU 5 7 34.761 5.715 -4.000 1.00 17.43 C ATOM 107 CG GLU 5 7 34.696 7.251 -4.030 1.00 19.72 C ATOM 108 CD GLU 5 7 34.825 7.809 -2.608 1.00 20.46 C ATOM 109 OE1 GLU 5 7 33.851 7.738 -1.873 1.00 18.99 O ATOM 110 OE2 GLU 5 7 35.887 8.304 -2.274 1.00 22.37 O ATOM 0 H GLU 5 7 34.050 6.961 -6.056 1.00 12.79 H new ATOM 0 HA GLU 5 7 34.215 4.189 -5.418 1.00 15.64 H new ATOM 0 HB2 GLU 5 7 34.519 5.355 -3.000 1.00 17.43 H new ATOM 0 HB3 GLU 5 7 35.776 5.385 -4.221 1.00 17.43 H new ATOM 0 HG2 GLU 5 7 35.495 7.645 -4.658 1.00 19.72 H new ATOM 0 HG3 GLU 5 7 33.754 7.575 -4.473 1.00 19.72 H new ATOM 117 N PRO 5 8 32.110 3.496 -4.253 1.00 13.23 N ATOM 118 CA PRO 5 8 30.822 3.030 -3.647 1.00 13.50 C ATOM 119 C PRO 5 8 30.707 3.377 -2.154 1.00 12.26 C ATOM 120 O PRO 5 8 31.699 3.575 -1.478 1.00 11.77 O ATOM 121 CB PRO 5 8 30.830 1.507 -3.865 1.00 15.10 C ATOM 122 CG PRO 5 8 32.254 1.135 -4.121 1.00 16.05 C ATOM 123 CD PRO 5 8 32.938 2.367 -4.712 1.00 15.37 C ATOM 0 HA PRO 5 8 29.965 3.521 -4.108 1.00 13.50 H new ATOM 0 HB2 PRO 5 8 30.442 0.986 -2.990 1.00 15.10 H new ATOM 0 HB3 PRO 5 8 30.197 1.230 -4.708 1.00 15.10 H new ATOM 0 HG2 PRO 5 8 32.744 0.828 -3.197 1.00 16.05 H new ATOM 0 HG3 PRO 5 8 32.315 0.292 -4.810 1.00 16.05 H new ATOM 0 HD2 PRO 5 8 33.966 2.459 -4.361 1.00 15.37 H new ATOM 0 HD3 PRO 5 8 32.976 2.318 -5.800 1.00 15.37 H new ATOM 131 N PRO 5 9 29.497 3.456 -1.646 1.00 11.39 N ATOM 132 CA PRO 5 9 29.230 3.802 -0.218 1.00 11.12 C ATOM 133 C PRO 5 9 30.126 3.025 0.761 1.00 10.17 C ATOM 134 O PRO 5 9 30.250 1.818 0.683 1.00 12.88 O ATOM 135 CB PRO 5 9 27.756 3.432 0.006 1.00 11.43 C ATOM 136 CG PRO 5 9 27.231 2.887 -1.291 1.00 12.21 C ATOM 137 CD PRO 5 9 28.252 3.210 -2.384 1.00 11.84 C ATOM 0 HA PRO 5 9 29.443 4.854 -0.031 1.00 11.12 H new ATOM 0 HB2 PRO 5 9 27.662 2.691 0.800 1.00 11.43 H new ATOM 0 HB3 PRO 5 9 27.183 4.306 0.316 1.00 11.43 H new ATOM 0 HG2 PRO 5 9 27.078 1.810 -1.218 1.00 12.21 H new ATOM 0 HG3 PRO 5 9 26.264 3.331 -1.528 1.00 12.21 H new ATOM 0 HD2 PRO 5 9 28.361 2.383 -3.086 1.00 11.84 H new ATOM 0 HD3 PRO 5 9 27.953 4.083 -2.964 1.00 11.84 H new ATOM 145 N TYR 5 10 30.750 3.715 1.673 1.00 9.53 N ATOM 146 CA TYR 5 10 31.649 3.038 2.651 1.00 10.73 C ATOM 147 C TYR 5 10 31.149 3.303 4.075 1.00 9.35 C ATOM 148 O TYR 5 10 31.284 4.395 4.602 1.00 9.61 O ATOM 149 CB TYR 5 10 33.061 3.599 2.477 1.00 12.55 C ATOM 150 CG TYR 5 10 34.066 2.732 3.190 1.00 14.36 C ATOM 151 CD1 TYR 5 10 34.611 1.614 2.545 1.00 16.08 C ATOM 152 CD2 TYR 5 10 34.470 3.059 4.491 1.00 14.93 C ATOM 153 CE1 TYR 5 10 35.562 0.825 3.203 1.00 16.73 C ATOM 154 CE2 TYR 5 10 35.419 2.267 5.147 1.00 15.90 C ATOM 155 CZ TYR 5 10 35.964 1.154 4.503 1.00 17.33 C ATOM 156 OH TYR 5 10 36.900 0.380 5.149 1.00 19.17 O ATOM 0 H TYR 5 10 30.676 4.726 1.785 1.00 9.53 H new ATOM 0 HA TYR 5 10 31.655 1.962 2.478 1.00 10.73 H new ATOM 0 HB2 TYR 5 10 33.308 3.655 1.417 1.00 12.55 H new ATOM 0 HB3 TYR 5 10 33.106 4.615 2.869 1.00 12.55 H new ATOM 0 HD1 TYR 5 10 34.298 1.361 1.543 1.00 16.08 H new ATOM 0 HD2 TYR 5 10 34.050 3.921 4.987 1.00 14.93 H new ATOM 0 HE1 TYR 5 10 35.985 -0.037 2.708 1.00 16.73 H new ATOM 0 HE2 TYR 5 10 35.730 2.516 6.151 1.00 15.90 H new ATOM 0 HH TYR 5 10 37.067 0.747 6.042 1.00 19.17 H new ATOM 166 N THR 5 11 30.574 2.313 4.704 1.00 10.38 N ATOM 167 CA THR 5 11 30.066 2.503 6.094 1.00 12.46 C ATOM 168 C THR 5 11 31.251 2.486 7.065 1.00 11.29 C ATOM 169 O THR 5 11 31.291 3.242 8.018 1.00 11.82 O ATOM 170 CB THR 5 11 29.080 1.377 6.441 1.00 13.67 C ATOM 171 OG1 THR 5 11 27.852 1.596 5.756 1.00 15.23 O ATOM 172 CG2 THR 5 11 28.813 1.363 7.946 1.00 14.27 C ATOM 0 H THR 5 11 30.434 1.380 4.315 1.00 10.38 H new ATOM 0 HA THR 5 11 29.548 3.459 6.173 1.00 12.46 H new ATOM 0 HB THR 5 11 29.511 0.422 6.139 1.00 13.67 H new ATOM 0 HG1 THR 5 11 27.531 2.503 5.942 1.00 15.23 H new ATOM 0 HG21 THR 5 11 28.113 0.562 8.184 1.00 14.27 H new ATOM 0 HG22 THR 5 11 29.749 1.198 8.480 1.00 14.27 H new ATOM 0 HG23 THR 5 11 28.386 2.319 8.249 1.00 14.27 H new ATOM 180 N GLY 5 12 32.222 1.642 6.823 1.00 12.43 N ATOM 181 CA GLY 5 12 33.415 1.592 7.729 1.00 13.15 C ATOM 182 C GLY 5 12 33.247 0.520 8.818 1.00 12.80 C ATOM 183 O GLY 5 12 32.160 0.008 9.060 1.00 12.30 O ATOM 0 H GLY 5 12 32.243 0.987 6.041 1.00 12.43 H new ATOM 0 HA2 GLY 5 12 34.310 1.381 7.144 1.00 13.15 H new ATOM 0 HA3 GLY 5 12 33.561 2.567 8.195 1.00 13.15 H new ATOM 187 N PRO 5 13 34.336 0.190 9.477 1.00 14.49 N ATOM 188 CA PRO 5 13 34.358 -0.836 10.569 1.00 13.95 C ATOM 189 C PRO 5 13 33.502 -0.435 11.781 1.00 13.29 C ATOM 190 O PRO 5 13 32.758 -1.240 12.312 1.00 14.10 O ATOM 191 CB PRO 5 13 35.839 -0.937 10.965 1.00 13.23 C ATOM 192 CG PRO 5 13 36.490 0.305 10.447 1.00 14.60 C ATOM 193 CD PRO 5 13 35.668 0.769 9.245 1.00 13.98 C ATOM 0 HA PRO 5 13 33.936 -1.781 10.228 1.00 13.95 H new ATOM 0 HB2 PRO 5 13 35.949 -1.013 12.047 1.00 13.23 H new ATOM 0 HB3 PRO 5 13 36.298 -1.827 10.534 1.00 13.23 H new ATOM 0 HG2 PRO 5 13 36.518 1.076 11.217 1.00 14.60 H new ATOM 0 HG3 PRO 5 13 37.522 0.108 10.156 1.00 14.60 H new ATOM 0 HD2 PRO 5 13 35.625 1.857 9.187 1.00 13.98 H new ATOM 0 HD3 PRO 5 13 36.098 0.416 8.308 1.00 13.98 H new ATOM 201 N CYS 5 14 33.588 0.797 12.215 1.00 12.13 N ATOM 202 CA CYS 5 14 32.766 1.239 13.390 1.00 13.10 C ATOM 203 C CYS 5 14 31.276 1.090 13.067 1.00 14.28 C ATOM 204 O CYS 5 14 30.892 0.948 11.923 1.00 14.31 O ATOM 205 CB CYS 5 14 33.073 2.704 13.713 1.00 11.97 C ATOM 206 SG CYS 5 14 34.858 2.915 13.921 1.00 12.63 S ATOM 0 H CYS 5 14 34.188 1.516 11.811 1.00 12.13 H new ATOM 0 HA CYS 5 14 33.013 0.618 14.251 1.00 13.10 H new ATOM 0 HB2 CYS 5 14 32.711 3.348 12.911 1.00 11.97 H new ATOM 0 HB3 CYS 5 14 32.552 3.004 14.622 1.00 11.97 H new ATOM 211 N LYS 5 15 30.430 1.114 14.057 1.00 15.59 N ATOM 212 CA LYS 5 15 28.968 0.967 13.790 1.00 16.40 C ATOM 213 C LYS 5 15 28.180 1.969 14.644 1.00 14.53 C ATOM 214 O LYS 5 15 27.297 1.600 15.391 1.00 16.12 O ATOM 215 CB LYS 5 15 28.529 -0.469 14.119 1.00 20.41 C ATOM 216 CG LYS 5 15 29.278 -1.471 13.226 1.00 23.07 C ATOM 217 CD LYS 5 15 28.748 -1.381 11.787 1.00 26.62 C ATOM 218 CE LYS 5 15 29.800 -1.910 10.806 1.00 30.12 C ATOM 219 NZ LYS 5 15 31.023 -1.059 10.891 1.00 33.66 N ATOM 0 H LYS 5 15 30.684 1.229 15.038 1.00 15.59 H new ATOM 0 HA LYS 5 15 28.769 1.169 12.738 1.00 16.40 H new ATOM 0 HB2 LYS 5 15 28.728 -0.686 15.168 1.00 20.41 H new ATOM 0 HB3 LYS 5 15 27.454 -0.571 13.971 1.00 20.41 H new ATOM 0 HG2 LYS 5 15 30.347 -1.260 13.244 1.00 23.07 H new ATOM 0 HG3 LYS 5 15 29.147 -2.483 13.609 1.00 23.07 H new ATOM 0 HD2 LYS 5 15 27.828 -1.958 11.693 1.00 26.62 H new ATOM 0 HD3 LYS 5 15 28.501 -0.347 11.546 1.00 26.62 H new ATOM 0 HE2 LYS 5 15 30.046 -2.945 11.042 1.00 30.12 H new ATOM 0 HE3 LYS 5 15 29.405 -1.899 9.790 1.00 30.12 H new ATOM 0 HZ1 LYS 5 15 31.447 -0.965 9.946 1.00 33.66 H new ATOM 0 HZ2 LYS 5 15 30.767 -0.118 11.251 1.00 33.66 H new ATOM 0 HZ3 LYS 5 15 31.709 -1.501 11.535 1.00 33.66 H new ATOM 233 N ALA 5 16 28.488 3.237 14.528 1.00 12.01 N ATOM 234 CA ALA 5 16 27.753 4.265 15.320 1.00 12.90 C ATOM 235 C ALA 5 16 26.449 4.632 14.595 1.00 12.51 C ATOM 236 O ALA 5 16 26.385 4.644 13.379 1.00 13.19 O ATOM 237 CB ALA 5 16 28.630 5.511 15.472 1.00 11.07 C ATOM 0 H ALA 5 16 29.218 3.603 13.917 1.00 12.01 H new ATOM 0 HA ALA 5 16 27.516 3.868 16.307 1.00 12.90 H new ATOM 0 HB1 ALA 5 16 28.095 6.264 16.051 1.00 11.07 H new ATOM 0 HB2 ALA 5 16 29.553 5.246 15.987 1.00 11.07 H new ATOM 0 HB3 ALA 5 16 28.867 5.912 14.486 1.00 11.07 H new ATOM 243 N ARG 5 17 25.405 4.911 15.337 1.00 12.27 N ATOM 244 CA ARG 5 17 24.090 5.268 14.706 1.00 13.57 C ATOM 245 C ARG 5 17 24.214 6.601 13.941 1.00 11.67 C ATOM 246 O ARG 5 17 23.515 7.555 14.227 1.00 13.64 O ATOM 247 CB ARG 5 17 23.010 5.402 15.805 1.00 15.95 C ATOM 248 CG ARG 5 17 22.213 4.097 15.925 1.00 21.32 C ATOM 249 CD ARG 5 17 22.835 3.211 17.007 1.00 25.64 C ATOM 250 NE ARG 5 17 22.649 1.767 16.646 1.00 32.90 N ATOM 251 CZ ARG 5 17 21.483 1.285 16.344 1.00 35.77 C ATOM 252 NH1 ARG 5 17 20.416 1.999 16.499 1.00 36.81 N ATOM 253 NH2 ARG 5 17 21.385 0.065 15.927 1.00 36.79 N ATOM 0 H ARG 5 17 25.405 4.907 16.357 1.00 12.27 H new ATOM 0 HA ARG 5 17 23.806 4.482 14.007 1.00 13.57 H new ATOM 0 HB2 ARG 5 17 23.479 5.639 16.760 1.00 15.95 H new ATOM 0 HB3 ARG 5 17 22.338 6.227 15.567 1.00 15.95 H new ATOM 0 HG2 ARG 5 17 21.174 4.315 16.173 1.00 21.32 H new ATOM 0 HG3 ARG 5 17 22.209 3.573 14.969 1.00 21.32 H new ATOM 0 HD2 ARG 5 17 23.896 3.436 17.110 1.00 25.64 H new ATOM 0 HD3 ARG 5 17 22.371 3.418 17.971 1.00 25.64 H new ATOM 0 HE ARG 5 17 23.460 1.148 16.638 1.00 32.90 H new ATOM 0 HH11 ARG 5 17 20.487 2.950 16.861 1.00 36.81 H new ATOM 0 HH12 ARG 5 17 19.504 1.611 16.259 1.00 36.81 H new ATOM 0 HH21 ARG 5 17 22.221 -0.512 15.837 1.00 36.79 H new ATOM 0 HH22 ARG 5 17 20.471 -0.320 15.688 1.00 36.79 H new ATOM 267 N ILE 5 18 25.103 6.682 12.983 1.00 10.78 N ATOM 268 CA ILE 5 18 25.262 7.961 12.230 1.00 10.61 C ATOM 269 C ILE 5 18 24.689 7.830 10.811 1.00 10.94 C ATOM 270 O ILE 5 18 25.337 7.346 9.902 1.00 10.62 O ATOM 271 CB ILE 5 18 26.750 8.350 12.161 1.00 11.97 C ATOM 272 CG1 ILE 5 18 27.251 8.761 13.555 1.00 13.12 C ATOM 273 CG2 ILE 5 18 26.923 9.531 11.201 1.00 10.95 C ATOM 274 CD1 ILE 5 18 28.738 9.136 13.482 1.00 13.42 C ATOM 0 H ILE 5 18 25.720 5.924 12.692 1.00 10.78 H new ATOM 0 HA ILE 5 18 24.711 8.741 12.755 1.00 10.61 H new ATOM 0 HB ILE 5 18 27.325 7.494 11.807 1.00 11.97 H new ATOM 0 HG12 ILE 5 18 26.671 9.606 13.926 1.00 13.12 H new ATOM 0 HG13 ILE 5 18 27.107 7.942 14.260 1.00 13.12 H new ATOM 0 HG21 ILE 5 18 27.976 9.808 11.151 1.00 10.95 H new ATOM 0 HG22 ILE 5 18 26.575 9.247 10.208 1.00 10.95 H new ATOM 0 HG23 ILE 5 18 26.341 10.380 11.560 1.00 10.95 H new ATOM 0 HD11 ILE 5 18 29.089 9.427 14.472 1.00 13.42 H new ATOM 0 HD12 ILE 5 18 29.313 8.279 13.130 1.00 13.42 H new ATOM 0 HD13 ILE 5 18 28.870 9.969 12.791 1.00 13.42 H new ATOM 286 N ILE 5 19 23.478 8.288 10.619 1.00 10.63 N ATOM 287 CA ILE 5 19 22.838 8.224 9.267 1.00 11.65 C ATOM 288 C ILE 5 19 23.219 9.478 8.469 1.00 10.38 C ATOM 289 O ILE 5 19 23.139 10.586 8.965 1.00 12.22 O ATOM 290 CB ILE 5 19 21.308 8.157 9.418 1.00 13.30 C ATOM 291 CG1 ILE 5 19 20.933 7.419 10.715 1.00 15.24 C ATOM 292 CG2 ILE 5 19 20.704 7.415 8.223 1.00 13.64 C ATOM 293 CD1 ILE 5 19 21.490 5.993 10.686 1.00 16.83 C ATOM 0 H ILE 5 19 22.899 8.707 11.347 1.00 10.63 H new ATOM 0 HA ILE 5 19 23.185 7.334 8.742 1.00 11.65 H new ATOM 0 HB ILE 5 19 20.915 9.173 9.458 1.00 13.30 H new ATOM 0 HG12 ILE 5 19 21.330 7.956 11.576 1.00 15.24 H new ATOM 0 HG13 ILE 5 19 19.849 7.393 10.828 1.00 15.24 H new ATOM 0 HG21 ILE 5 19 19.621 7.369 8.333 1.00 13.64 H new ATOM 0 HG22 ILE 5 19 20.953 7.943 7.303 1.00 13.64 H new ATOM 0 HG23 ILE 5 19 21.107 6.403 8.181 1.00 13.64 H new ATOM 0 HD11 ILE 5 19 21.220 5.478 11.608 1.00 16.83 H new ATOM 0 HD12 ILE 5 19 21.072 5.456 9.835 1.00 16.83 H new ATOM 0 HD13 ILE 5 19 22.576 6.028 10.595 1.00 16.83 H new ATOM 305 N ARG 5 20 23.645 9.312 7.242 1.00 10.55 N ATOM 306 CA ARG 5 20 24.041 10.497 6.417 1.00 10.78 C ATOM 307 C ARG 5 20 23.560 10.303 4.968 1.00 9.27 C ATOM 308 O ARG 5 20 22.795 9.396 4.675 1.00 10.69 O ATOM 309 CB ARG 5 20 25.569 10.648 6.438 1.00 9.44 C ATOM 310 CG ARG 5 20 26.068 10.807 7.883 1.00 10.78 C ATOM 311 CD ARG 5 20 26.473 12.262 8.140 1.00 12.14 C ATOM 312 NE ARG 5 20 27.494 12.664 7.119 1.00 13.47 N ATOM 313 CZ ARG 5 20 27.896 13.896 7.015 1.00 14.63 C ATOM 314 NH1 ARG 5 20 27.426 14.809 7.804 1.00 15.39 N ATOM 315 NH2 ARG 5 20 28.768 14.206 6.107 1.00 14.38 N ATOM 0 H ARG 5 20 23.736 8.409 6.776 1.00 10.55 H new ATOM 0 HA ARG 5 20 23.583 11.395 6.830 1.00 10.78 H new ATOM 0 HB2 ARG 5 20 26.034 9.776 5.979 1.00 9.44 H new ATOM 0 HB3 ARG 5 20 25.864 11.515 5.846 1.00 9.44 H new ATOM 0 HG2 ARG 5 20 25.286 10.510 8.581 1.00 10.78 H new ATOM 0 HG3 ARG 5 20 26.918 10.148 8.057 1.00 10.78 H new ATOM 0 HD2 ARG 5 20 25.601 12.913 8.079 1.00 12.14 H new ATOM 0 HD3 ARG 5 20 26.881 12.369 9.145 1.00 12.14 H new ATOM 0 HE ARG 5 20 27.881 11.957 6.494 1.00 13.47 H new ATOM 0 HH11 ARG 5 20 26.735 14.564 8.513 1.00 15.39 H new ATOM 0 HH12 ARG 5 20 27.746 15.773 7.716 1.00 15.39 H new ATOM 0 HH21 ARG 5 20 29.132 13.486 5.483 1.00 14.38 H new ATOM 0 HH22 ARG 5 20 29.090 15.170 6.017 1.00 14.38 H new ATOM 329 N TYR 5 21 23.989 11.153 4.064 1.00 9.20 N ATOM 330 CA TYR 5 21 23.550 11.024 2.639 1.00 8.22 C ATOM 331 C TYR 5 21 24.766 10.742 1.744 1.00 8.71 C ATOM 332 O TYR 5 21 25.835 11.290 1.947 1.00 8.47 O ATOM 333 CB TYR 5 21 22.888 12.337 2.200 1.00 9.14 C ATOM 334 CG TYR 5 21 21.693 12.623 3.076 1.00 10.30 C ATOM 335 CD1 TYR 5 21 21.880 13.060 4.388 1.00 10.02 C ATOM 336 CD2 TYR 5 21 20.400 12.455 2.576 1.00 10.29 C ATOM 337 CE1 TYR 5 21 20.777 13.333 5.197 1.00 11.24 C ATOM 338 CE2 TYR 5 21 19.296 12.728 3.388 1.00 11.46 C ATOM 339 CZ TYR 5 21 19.486 13.168 4.697 1.00 12.26 C ATOM 340 OH TYR 5 21 18.397 13.448 5.492 1.00 13.81 O ATOM 0 H TYR 5 21 24.623 11.929 4.252 1.00 9.20 H new ATOM 0 HA TYR 5 21 22.841 10.201 2.549 1.00 8.22 H new ATOM 0 HB2 TYR 5 21 23.604 13.156 2.267 1.00 9.14 H new ATOM 0 HB3 TYR 5 21 22.578 12.268 1.157 1.00 9.14 H new ATOM 0 HD1 TYR 5 21 22.879 13.187 4.777 1.00 10.02 H new ATOM 0 HD2 TYR 5 21 20.253 12.114 1.562 1.00 10.29 H new ATOM 0 HE1 TYR 5 21 20.923 13.673 6.212 1.00 11.24 H new ATOM 0 HE2 TYR 5 21 18.296 12.598 3.002 1.00 11.46 H new ATOM 0 HH TYR 5 21 17.573 13.281 4.989 1.00 13.81 H new ATOM 350 N PHE 5 22 24.610 9.910 0.745 1.00 7.43 N ATOM 351 CA PHE 5 22 25.757 9.618 -0.165 1.00 6.76 C ATOM 352 C PHE 5 22 25.308 9.729 -1.629 1.00 7.20 C ATOM 353 O PHE 5 22 24.157 10.019 -1.923 1.00 7.41 O ATOM 354 CB PHE 5 22 26.302 8.211 0.118 1.00 6.59 C ATOM 355 CG PHE 5 22 25.524 7.183 -0.669 1.00 7.76 C ATOM 356 CD1 PHE 5 22 24.222 6.852 -0.288 1.00 8.78 C ATOM 357 CD2 PHE 5 22 26.106 6.563 -1.777 1.00 8.47 C ATOM 358 CE1 PHE 5 22 23.500 5.902 -1.015 1.00 9.59 C ATOM 359 CE2 PHE 5 22 25.387 5.611 -2.506 1.00 9.15 C ATOM 360 CZ PHE 5 22 24.083 5.280 -2.126 1.00 9.79 C ATOM 0 H PHE 5 22 23.742 9.423 0.522 1.00 7.43 H new ATOM 0 HA PHE 5 22 26.549 10.346 0.014 1.00 6.76 H new ATOM 0 HB2 PHE 5 22 27.358 8.161 -0.149 1.00 6.59 H new ATOM 0 HB3 PHE 5 22 26.232 7.993 1.184 1.00 6.59 H new ATOM 0 HD1 PHE 5 22 23.773 7.331 0.569 1.00 8.78 H new ATOM 0 HD2 PHE 5 22 27.113 6.819 -2.071 1.00 8.47 H new ATOM 0 HE1 PHE 5 22 22.493 5.647 -0.720 1.00 9.59 H new ATOM 0 HE2 PHE 5 22 25.839 5.132 -3.362 1.00 9.15 H new ATOM 0 HZ PHE 5 22 23.526 4.545 -2.689 1.00 9.79 H new ATOM 370 N TYR 5 23 26.216 9.515 -2.547 1.00 8.20 N ATOM 371 CA TYR 5 23 25.874 9.610 -3.999 1.00 7.28 C ATOM 372 C TYR 5 23 25.794 8.203 -4.610 1.00 7.57 C ATOM 373 O TYR 5 23 26.772 7.472 -4.636 1.00 8.16 O ATOM 374 CB TYR 5 23 26.967 10.415 -4.706 1.00 9.85 C ATOM 375 CG TYR 5 23 26.756 10.378 -6.200 1.00 9.96 C ATOM 376 CD1 TYR 5 23 25.659 11.028 -6.769 1.00 11.33 C ATOM 377 CD2 TYR 5 23 27.668 9.707 -7.015 1.00 10.97 C ATOM 378 CE1 TYR 5 23 25.476 11.005 -8.154 1.00 11.73 C ATOM 379 CE2 TYR 5 23 27.487 9.686 -8.398 1.00 11.27 C ATOM 380 CZ TYR 5 23 26.391 10.336 -8.968 1.00 11.91 C ATOM 381 OH TYR 5 23 26.214 10.321 -10.337 1.00 14.10 O ATOM 0 H TYR 5 23 27.188 9.276 -2.351 1.00 8.20 H new ATOM 0 HA TYR 5 23 24.909 10.102 -4.120 1.00 7.28 H new ATOM 0 HB2 TYR 5 23 26.954 11.447 -4.355 1.00 9.85 H new ATOM 0 HB3 TYR 5 23 27.947 10.007 -4.459 1.00 9.85 H new ATOM 0 HD1 TYR 5 23 24.953 11.548 -6.139 1.00 11.33 H new ATOM 0 HD2 TYR 5 23 28.516 9.203 -6.574 1.00 10.97 H new ATOM 0 HE1 TYR 5 23 24.626 11.505 -8.595 1.00 11.73 H new ATOM 0 HE2 TYR 5 23 28.195 9.167 -9.028 1.00 11.27 H new ATOM 0 HH TYR 5 23 25.408 10.827 -10.568 1.00 14.10 H new ATOM 391 N ASN 5 24 24.642 7.819 -5.104 1.00 7.53 N ATOM 392 CA ASN 5 24 24.495 6.462 -5.712 1.00 8.25 C ATOM 393 C ASN 5 24 24.865 6.509 -7.204 1.00 9.26 C ATOM 394 O ASN 5 24 24.018 6.693 -8.067 1.00 9.06 O ATOM 395 CB ASN 5 24 23.043 5.997 -5.550 1.00 9.60 C ATOM 396 CG ASN 5 24 22.904 4.546 -6.003 1.00 10.11 C ATOM 397 OD1 ASN 5 24 23.743 4.038 -6.723 1.00 13.10 O ATOM 398 ND2 ASN 5 24 21.876 3.852 -5.607 1.00 12.51 N ATOM 0 H ASN 5 24 23.796 8.389 -5.112 1.00 7.53 H new ATOM 0 HA ASN 5 24 25.164 5.763 -5.209 1.00 8.25 H new ATOM 0 HB2 ASN 5 24 22.737 6.092 -4.508 1.00 9.60 H new ATOM 0 HB3 ASN 5 24 22.381 6.634 -6.136 1.00 9.60 H new ATOM 0 HD21 ASN 5 24 21.773 2.881 -5.900 1.00 12.51 H new ATOM 0 HD22 ASN 5 24 21.174 4.280 -5.003 1.00 12.51 H new ATOM 405 N ALA 5 25 26.127 6.341 -7.514 1.00 10.90 N ATOM 406 CA ALA 5 25 26.563 6.374 -8.943 1.00 12.18 C ATOM 407 C ALA 5 25 25.991 5.174 -9.710 1.00 11.03 C ATOM 408 O ALA 5 25 26.060 5.123 -10.919 1.00 12.22 O ATOM 409 CB ALA 5 25 28.090 6.330 -9.004 1.00 11.38 C ATOM 0 H ALA 5 25 26.874 6.182 -6.838 1.00 10.90 H new ATOM 0 HA ALA 5 25 26.195 7.291 -9.402 1.00 12.18 H new ATOM 0 HB1 ALA 5 25 28.413 6.354 -10.045 1.00 11.38 H new ATOM 0 HB2 ALA 5 25 28.500 7.191 -8.477 1.00 11.38 H new ATOM 0 HB3 ALA 5 25 28.447 5.413 -8.534 1.00 11.38 H new ATOM 415 N LYS 5 26 25.425 4.217 -9.026 1.00 10.74 N ATOM 416 CA LYS 5 26 24.863 3.028 -9.733 1.00 13.89 C ATOM 417 C LYS 5 26 23.610 3.429 -10.524 1.00 13.64 C ATOM 418 O LYS 5 26 23.248 2.782 -11.484 1.00 15.07 O ATOM 419 CB LYS 5 26 24.504 1.948 -8.705 1.00 18.92 C ATOM 420 CG LYS 5 26 24.974 0.585 -9.211 1.00 23.44 C ATOM 421 CD LYS 5 26 23.962 0.040 -10.216 1.00 28.41 C ATOM 422 CE LYS 5 26 24.321 -1.400 -10.568 1.00 33.13 C ATOM 423 NZ LYS 5 26 23.295 -1.932 -11.509 1.00 36.26 N ATOM 0 H LYS 5 26 25.327 4.206 -8.011 1.00 10.74 H new ATOM 0 HA LYS 5 26 25.607 2.638 -10.427 1.00 13.89 H new ATOM 0 HB2 LYS 5 26 24.972 2.173 -7.747 1.00 18.92 H new ATOM 0 HB3 LYS 5 26 23.427 1.934 -8.538 1.00 18.92 H new ATOM 0 HG2 LYS 5 26 25.954 0.677 -9.679 1.00 23.44 H new ATOM 0 HG3 LYS 5 26 25.083 -0.107 -8.376 1.00 23.44 H new ATOM 0 HD2 LYS 5 26 22.957 0.083 -9.796 1.00 28.41 H new ATOM 0 HD3 LYS 5 26 23.959 0.656 -11.115 1.00 28.41 H new ATOM 0 HE2 LYS 5 26 25.310 -1.442 -11.024 1.00 33.13 H new ATOM 0 HE3 LYS 5 26 24.360 -2.011 -9.666 1.00 33.13 H new ATOM 0 HZ1 LYS 5 26 23.528 -2.915 -11.757 1.00 36.26 H new ATOM 0 HZ2 LYS 5 26 22.359 -1.902 -11.056 1.00 36.26 H new ATOM 0 HZ3 LYS 5 26 23.280 -1.351 -12.371 1.00 36.26 H new ATOM 437 N ALA 5 27 22.944 4.479 -10.116 1.00 13.18 N ATOM 438 CA ALA 5 27 21.718 4.922 -10.848 1.00 11.76 C ATOM 439 C ALA 5 27 21.856 6.399 -11.247 1.00 10.74 C ATOM 440 O ALA 5 27 21.136 6.888 -12.093 1.00 11.30 O ATOM 441 CB ALA 5 27 20.482 4.739 -9.963 1.00 12.78 C ATOM 0 H ALA 5 27 23.196 5.049 -9.308 1.00 13.18 H new ATOM 0 HA ALA 5 27 21.604 4.315 -11.746 1.00 11.76 H new ATOM 0 HB1 ALA 5 27 19.595 5.065 -10.506 1.00 12.78 H new ATOM 0 HB2 ALA 5 27 20.378 3.687 -9.696 1.00 12.78 H new ATOM 0 HB3 ALA 5 27 20.592 5.335 -9.057 1.00 12.78 H new ATOM 447 N GLY 5 28 22.782 7.111 -10.655 1.00 9.60 N ATOM 448 CA GLY 5 28 22.974 8.552 -11.017 1.00 10.58 C ATOM 449 C GLY 5 28 22.088 9.437 -10.140 1.00 11.69 C ATOM 450 O GLY 5 28 21.544 10.422 -10.593 1.00 12.66 O ATOM 0 H GLY 5 28 23.414 6.758 -9.936 1.00 9.60 H new ATOM 0 HA2 GLY 5 28 24.020 8.831 -10.889 1.00 10.58 H new ATOM 0 HA3 GLY 5 28 22.729 8.707 -12.068 1.00 10.58 H new ATOM 454 N LEU 5 29 21.950 9.099 -8.888 1.00 11.42 N ATOM 455 CA LEU 5 29 21.097 9.922 -7.980 1.00 13.44 C ATOM 456 C LEU 5 29 21.618 9.805 -6.545 1.00 10.49 C ATOM 457 O LEU 5 29 22.202 8.807 -6.165 1.00 11.18 O ATOM 458 CB LEU 5 29 19.655 9.399 -8.047 1.00 15.84 C ATOM 459 CG LEU 5 29 18.672 10.574 -8.153 1.00 17.24 C ATOM 460 CD1 LEU 5 29 18.619 11.072 -9.597 1.00 18.29 C ATOM 461 CD2 LEU 5 29 17.276 10.118 -7.724 1.00 18.39 C ATOM 0 H LEU 5 29 22.390 8.289 -8.453 1.00 11.42 H new ATOM 0 HA LEU 5 29 21.127 10.967 -8.288 1.00 13.44 H new ATOM 0 HB2 LEU 5 29 19.539 8.739 -8.907 1.00 15.84 H new ATOM 0 HB3 LEU 5 29 19.433 8.808 -7.159 1.00 15.84 H new ATOM 0 HG LEU 5 29 19.008 11.381 -7.502 1.00 17.24 H new ATOM 0 HD11 LEU 5 29 17.921 11.906 -9.669 1.00 18.29 H new ATOM 0 HD12 LEU 5 29 19.611 11.402 -9.905 1.00 18.29 H new ATOM 0 HD13 LEU 5 29 18.287 10.264 -10.249 1.00 18.29 H new ATOM 0 HD21 LEU 5 29 16.581 10.954 -7.800 1.00 18.39 H new ATOM 0 HD22 LEU 5 29 16.942 9.308 -8.373 1.00 18.39 H new ATOM 0 HD23 LEU 5 29 17.309 9.766 -6.693 1.00 18.39 H new ATOM 473 N CYS 5 30 21.393 10.800 -5.737 1.00 10.45 N ATOM 474 CA CYS 5 30 21.861 10.724 -4.319 1.00 10.30 C ATOM 475 C CYS 5 30 20.873 9.885 -3.506 1.00 10.76 C ATOM 476 O CYS 5 30 19.721 9.743 -3.867 1.00 12.39 O ATOM 477 CB CYS 5 30 21.947 12.128 -3.724 1.00 10.60 C ATOM 478 SG CYS 5 30 23.278 13.052 -4.535 1.00 11.79 S ATOM 0 H CYS 5 30 20.908 11.661 -5.991 1.00 10.45 H new ATOM 0 HA CYS 5 30 22.848 10.263 -4.289 1.00 10.30 H new ATOM 0 HB2 CYS 5 30 20.998 12.648 -3.855 1.00 10.60 H new ATOM 0 HB3 CYS 5 30 22.133 12.069 -2.652 1.00 10.60 H new ATOM 483 N GLN 5 31 21.316 9.321 -2.417 1.00 8.79 N ATOM 484 CA GLN 5 31 20.410 8.479 -1.579 1.00 10.62 C ATOM 485 C GLN 5 31 20.908 8.494 -0.133 1.00 10.68 C ATOM 486 O GLN 5 31 22.012 8.925 0.150 1.00 10.44 O ATOM 487 CB GLN 5 31 20.418 7.035 -2.103 1.00 11.67 C ATOM 488 CG GLN 5 31 19.222 6.803 -3.041 1.00 13.65 C ATOM 489 CD GLN 5 31 19.678 6.004 -4.265 1.00 14.34 C ATOM 490 OE1 GLN 5 31 19.944 4.823 -4.173 1.00 15.59 O ATOM 491 NE2 GLN 5 31 19.782 6.599 -5.415 1.00 18.68 N ATOM 0 H GLN 5 31 22.271 9.406 -2.068 1.00 8.79 H new ATOM 0 HA GLN 5 31 19.396 8.876 -1.626 1.00 10.62 H new ATOM 0 HB2 GLN 5 31 21.349 6.838 -2.634 1.00 11.67 H new ATOM 0 HB3 GLN 5 31 20.374 6.337 -1.267 1.00 11.67 H new ATOM 0 HG2 GLN 5 31 18.434 6.264 -2.515 1.00 13.65 H new ATOM 0 HG3 GLN 5 31 18.801 7.759 -3.354 1.00 13.65 H new ATOM 0 HE21 GLN 5 31 19.560 7.591 -5.498 1.00 18.68 H new ATOM 0 HE22 GLN 5 31 20.086 6.074 -6.235 1.00 18.68 H new ATOM 500 N THR 5 32 20.112 8.018 0.781 1.00 11.66 N ATOM 501 CA THR 5 32 20.534 7.990 2.213 1.00 11.14 C ATOM 502 C THR 5 32 21.345 6.719 2.490 1.00 10.29 C ATOM 503 O THR 5 32 21.292 5.760 1.744 1.00 11.74 O ATOM 504 CB THR 5 32 19.284 7.989 3.101 1.00 11.90 C ATOM 505 OG1 THR 5 32 18.440 6.921 2.698 1.00 14.39 O ATOM 506 CG2 THR 5 32 18.529 9.313 2.951 1.00 13.60 C ATOM 0 H THR 5 32 19.181 7.644 0.599 1.00 11.66 H new ATOM 0 HA THR 5 32 21.148 8.865 2.428 1.00 11.14 H new ATOM 0 HB THR 5 32 19.579 7.867 4.143 1.00 11.90 H new ATOM 0 HG1 THR 5 32 17.637 6.909 3.260 1.00 14.39 H new ATOM 0 HG21 THR 5 32 17.643 9.301 3.586 1.00 13.60 H new ATOM 0 HG22 THR 5 32 19.177 10.137 3.248 1.00 13.60 H new ATOM 0 HG23 THR 5 32 18.228 9.445 1.912 1.00 13.60 H new ATOM 514 N PHE 5 33 22.087 6.702 3.566 1.00 9.22 N ATOM 515 CA PHE 5 33 22.892 5.487 3.900 1.00 9.74 C ATOM 516 C PHE 5 33 23.323 5.535 5.376 1.00 9.40 C ATOM 517 O PHE 5 33 22.986 6.454 6.100 1.00 10.22 O ATOM 518 CB PHE 5 33 24.116 5.404 2.970 1.00 9.26 C ATOM 519 CG PHE 5 33 25.256 6.250 3.497 1.00 9.20 C ATOM 520 CD1 PHE 5 33 25.163 7.645 3.479 1.00 10.04 C ATOM 521 CD2 PHE 5 33 26.412 5.633 3.990 1.00 10.68 C ATOM 522 CE1 PHE 5 33 26.223 8.423 3.958 1.00 10.37 C ATOM 523 CE2 PHE 5 33 27.471 6.411 4.468 1.00 8.91 C ATOM 524 CZ PHE 5 33 27.376 7.807 4.453 1.00 9.71 C ATOM 0 H PHE 5 33 22.171 7.474 4.227 1.00 9.22 H new ATOM 0 HA PHE 5 33 22.285 4.594 3.751 1.00 9.74 H new ATOM 0 HB2 PHE 5 33 24.439 4.367 2.880 1.00 9.26 H new ATOM 0 HB3 PHE 5 33 23.841 5.740 1.970 1.00 9.26 H new ATOM 0 HD1 PHE 5 33 24.273 8.122 3.095 1.00 10.04 H new ATOM 0 HD2 PHE 5 33 26.486 4.556 4.001 1.00 10.68 H new ATOM 0 HE1 PHE 5 33 26.150 9.500 3.945 1.00 10.37 H new ATOM 0 HE2 PHE 5 33 28.362 5.934 4.849 1.00 8.91 H new ATOM 0 HZ PHE 5 33 28.193 8.408 4.824 1.00 9.71 H new ATOM 534 N VAL 5 34 24.043 4.537 5.830 1.00 11.69 N ATOM 535 CA VAL 5 34 24.481 4.509 7.256 1.00 11.33 C ATOM 536 C VAL 5 34 26.013 4.581 7.337 1.00 10.54 C ATOM 537 O VAL 5 34 26.725 3.810 6.703 1.00 11.75 O ATOM 538 CB VAL 5 34 23.993 3.212 7.903 1.00 13.85 C ATOM 539 CG1 VAL 5 34 24.583 3.086 9.312 1.00 15.43 C ATOM 540 CG2 VAL 5 34 22.462 3.226 7.996 1.00 14.03 C ATOM 0 H VAL 5 34 24.346 3.740 5.270 1.00 11.69 H new ATOM 0 HA VAL 5 34 24.060 5.366 7.782 1.00 11.33 H new ATOM 0 HB VAL 5 34 24.314 2.366 7.295 1.00 13.85 H new ATOM 0 HG11 VAL 5 34 24.234 2.161 9.771 1.00 15.43 H new ATOM 0 HG12 VAL 5 34 25.671 3.073 9.251 1.00 15.43 H new ATOM 0 HG13 VAL 5 34 24.264 3.935 9.917 1.00 15.43 H new ATOM 0 HG21 VAL 5 34 22.117 2.301 8.457 1.00 14.03 H new ATOM 0 HG22 VAL 5 34 22.142 4.074 8.601 1.00 14.03 H new ATOM 0 HG23 VAL 5 34 22.038 3.313 6.996 1.00 14.03 H new ATOM 550 N TYR 5 35 26.519 5.496 8.127 1.00 8.67 N ATOM 551 CA TYR 5 35 27.998 5.634 8.275 1.00 8.52 C ATOM 552 C TYR 5 35 28.441 5.053 9.621 1.00 9.39 C ATOM 553 O TYR 5 35 27.946 5.430 10.667 1.00 10.05 O ATOM 554 CB TYR 5 35 28.370 7.119 8.198 1.00 9.40 C ATOM 555 CG TYR 5 35 29.835 7.321 8.527 1.00 9.39 C ATOM 556 CD1 TYR 5 35 30.801 6.424 8.054 1.00 9.35 C ATOM 557 CD2 TYR 5 35 30.225 8.416 9.305 1.00 9.32 C ATOM 558 CE1 TYR 5 35 32.152 6.623 8.359 1.00 9.35 C ATOM 559 CE2 TYR 5 35 31.575 8.614 9.610 1.00 9.94 C ATOM 560 CZ TYR 5 35 32.539 7.720 9.136 1.00 10.13 C ATOM 561 OH TYR 5 35 33.869 7.922 9.439 1.00 11.76 O ATOM 0 H TYR 5 35 25.968 6.155 8.677 1.00 8.67 H new ATOM 0 HA TYR 5 35 28.501 5.089 7.476 1.00 8.52 H new ATOM 0 HB2 TYR 5 35 28.161 7.500 7.199 1.00 9.40 H new ATOM 0 HB3 TYR 5 35 27.754 7.690 8.893 1.00 9.40 H new ATOM 0 HD1 TYR 5 35 30.503 5.578 7.453 1.00 9.35 H new ATOM 0 HD2 TYR 5 35 29.482 9.110 9.671 1.00 9.32 H new ATOM 0 HE1 TYR 5 35 32.896 5.930 7.995 1.00 9.35 H new ATOM 0 HE2 TYR 5 35 31.873 9.459 10.213 1.00 9.94 H new ATOM 0 HH TYR 5 35 33.941 8.483 10.239 1.00 11.76 H new ATOM 571 N GLY 5 36 29.374 4.136 9.596 1.00 9.59 N ATOM 572 CA GLY 5 36 29.860 3.518 10.863 1.00 9.91 C ATOM 573 C GLY 5 36 30.395 4.600 11.804 1.00 9.25 C ATOM 574 O GLY 5 36 30.252 4.502 13.007 1.00 9.95 O ATOM 0 H GLY 5 36 29.821 3.788 8.748 1.00 9.59 H new ATOM 0 HA2 GLY 5 36 29.048 2.974 11.346 1.00 9.91 H new ATOM 0 HA3 GLY 5 36 30.645 2.793 10.646 1.00 9.91 H new ATOM 578 N GLY 5 37 31.015 5.620 11.270 1.00 8.45 N ATOM 579 CA GLY 5 37 31.560 6.709 12.137 1.00 10.39 C ATOM 580 C GLY 5 37 33.065 6.891 11.899 1.00 10.61 C ATOM 581 O GLY 5 37 33.609 7.949 12.151 1.00 13.37 O ATOM 0 H GLY 5 37 31.168 5.747 10.270 1.00 8.45 H new ATOM 0 HA2 GLY 5 37 31.038 7.643 11.927 1.00 10.39 H new ATOM 0 HA3 GLY 5 37 31.379 6.471 13.185 1.00 10.39 H new ATOM 585 N CYS 5 38 33.747 5.877 11.429 1.00 10.95 N ATOM 586 CA CYS 5 38 35.226 6.011 11.201 1.00 11.65 C ATOM 587 C CYS 5 38 35.634 5.501 9.809 1.00 12.05 C ATOM 588 O CYS 5 38 34.969 4.673 9.210 1.00 11.60 O ATOM 589 CB CYS 5 38 35.963 5.192 12.262 1.00 12.40 C ATOM 590 SG CYS 5 38 35.517 3.445 12.088 1.00 12.21 S ATOM 0 H CYS 5 38 33.351 4.967 11.194 1.00 10.95 H new ATOM 0 HA CYS 5 38 35.488 7.067 11.267 1.00 11.65 H new ATOM 0 HB2 CYS 5 38 37.040 5.317 12.151 1.00 12.40 H new ATOM 0 HB3 CYS 5 38 35.702 5.548 13.259 1.00 12.40 H new ATOM 595 N ARG 5 39 36.749 5.979 9.313 1.00 12.46 N ATOM 596 CA ARG 5 39 37.262 5.540 7.978 1.00 14.63 C ATOM 597 C ARG 5 39 36.235 5.834 6.878 1.00 12.13 C ATOM 598 O ARG 5 39 35.901 4.971 6.087 1.00 13.93 O ATOM 599 CB ARG 5 39 37.567 4.036 8.013 1.00 18.16 C ATOM 600 CG ARG 5 39 38.907 3.796 8.713 1.00 22.63 C ATOM 601 CD ARG 5 39 39.682 2.713 7.966 1.00 26.10 C ATOM 602 NE ARG 5 39 41.106 2.742 8.421 1.00 30.83 N ATOM 603 CZ ARG 5 39 41.921 1.782 8.111 1.00 32.34 C ATOM 604 NH1 ARG 5 39 41.521 0.805 7.364 1.00 33.57 N ATOM 605 NH2 ARG 5 39 43.142 1.811 8.539 1.00 33.18 N ATOM 0 H ARG 5 39 37.335 6.667 9.786 1.00 12.46 H new ATOM 0 HA ARG 5 39 38.174 6.094 7.756 1.00 14.63 H new ATOM 0 HB2 ARG 5 39 36.772 3.506 8.538 1.00 18.16 H new ATOM 0 HB3 ARG 5 39 37.600 3.638 6.999 1.00 18.16 H new ATOM 0 HG2 ARG 5 39 39.486 4.719 8.741 1.00 22.63 H new ATOM 0 HG3 ARG 5 39 38.741 3.492 9.747 1.00 22.63 H new ATOM 0 HD2 ARG 5 39 39.244 1.734 8.159 1.00 26.10 H new ATOM 0 HD3 ARG 5 39 39.625 2.882 6.891 1.00 26.10 H new ATOM 0 HE ARG 5 39 41.440 3.526 8.982 1.00 30.83 H new ATOM 0 HH11 ARG 5 39 40.562 0.788 7.017 1.00 33.57 H new ATOM 0 HH12 ARG 5 39 42.164 0.052 7.122 1.00 33.57 H new ATOM 0 HH21 ARG 5 39 43.461 2.587 9.118 1.00 33.18 H new ATOM 0 HH22 ARG 5 39 43.785 1.057 8.297 1.00 33.18 H new ATOM 619 N ALA 5 40 35.741 7.040 6.809 1.00 11.13 N ATOM 620 CA ALA 5 40 34.739 7.385 5.750 1.00 12.22 C ATOM 621 C ALA 5 40 35.448 7.586 4.400 1.00 13.37 C ATOM 622 O ALA 5 40 36.641 7.368 4.276 1.00 14.12 O ATOM 623 CB ALA 5 40 34.017 8.678 6.146 1.00 11.96 C ATOM 0 H ALA 5 40 35.986 7.804 7.439 1.00 11.13 H new ATOM 0 HA ALA 5 40 34.019 6.572 5.654 1.00 12.22 H new ATOM 0 HB1 ALA 5 40 33.286 8.936 5.380 1.00 11.96 H new ATOM 0 HB2 ALA 5 40 33.508 8.533 7.099 1.00 11.96 H new ATOM 0 HB3 ALA 5 40 34.743 9.486 6.241 1.00 11.96 H new ATOM 629 N LYS 5 41 34.715 7.984 3.390 1.00 12.73 N ATOM 630 CA LYS 5 41 35.319 8.204 2.034 1.00 12.34 C ATOM 631 C LYS 5 41 34.795 9.527 1.435 1.00 11.42 C ATOM 632 O LYS 5 41 34.140 10.310 2.106 1.00 12.35 O ATOM 633 CB LYS 5 41 34.945 7.032 1.116 1.00 15.66 C ATOM 634 CG LYS 5 41 35.314 5.701 1.790 1.00 17.23 C ATOM 635 CD LYS 5 41 36.838 5.592 1.940 1.00 21.83 C ATOM 636 CE LYS 5 41 37.180 4.532 2.996 1.00 24.86 C ATOM 637 NZ LYS 5 41 37.330 5.183 4.336 1.00 26.80 N ATOM 0 H LYS 5 41 33.713 8.168 3.445 1.00 12.73 H new ATOM 0 HA LYS 5 41 36.404 8.263 2.125 1.00 12.34 H new ATOM 0 HB2 LYS 5 41 33.877 7.056 0.898 1.00 15.66 H new ATOM 0 HB3 LYS 5 41 35.467 7.124 0.163 1.00 15.66 H new ATOM 0 HG2 LYS 5 41 34.839 5.636 2.769 1.00 17.23 H new ATOM 0 HG3 LYS 5 41 34.938 4.867 1.197 1.00 17.23 H new ATOM 0 HD2 LYS 5 41 37.289 5.325 0.984 1.00 21.83 H new ATOM 0 HD3 LYS 5 41 37.254 6.556 2.231 1.00 21.83 H new ATOM 0 HE2 LYS 5 41 36.395 3.777 3.034 1.00 24.86 H new ATOM 0 HE3 LYS 5 41 38.103 4.019 2.725 1.00 24.86 H new ATOM 0 HZ1 LYS 5 41 38.305 5.059 4.675 1.00 26.80 H new ATOM 0 HZ2 LYS 5 41 37.118 6.198 4.255 1.00 26.80 H new ATOM 0 HZ3 LYS 5 41 36.671 4.745 5.011 1.00 26.80 H new ATOM 651 N ARG 5 42 35.074 9.787 0.177 1.00 9.56 N ATOM 652 CA ARG 5 42 34.587 11.058 -0.447 1.00 9.93 C ATOM 653 C ARG 5 42 33.078 10.959 -0.669 1.00 7.40 C ATOM 654 O ARG 5 42 32.344 11.905 -0.437 1.00 9.71 O ATOM 655 CB ARG 5 42 35.292 11.300 -1.788 1.00 10.35 C ATOM 656 CG ARG 5 42 36.796 11.509 -1.563 1.00 13.91 C ATOM 657 CD ARG 5 42 37.362 12.374 -2.692 1.00 15.78 C ATOM 658 NE ARG 5 42 38.842 12.511 -2.519 1.00 21.96 N ATOM 659 CZ ARG 5 42 39.582 12.991 -3.480 1.00 24.68 C ATOM 660 NH1 ARG 5 42 39.043 13.407 -4.586 1.00 26.22 N ATOM 661 NH2 ARG 5 42 40.865 13.068 -3.326 1.00 25.19 N ATOM 0 H ARG 5 42 35.613 9.178 -0.439 1.00 9.56 H new ATOM 0 HA ARG 5 42 34.811 11.892 0.218 1.00 9.93 H new ATOM 0 HB2 ARG 5 42 35.130 10.450 -2.451 1.00 10.35 H new ATOM 0 HB3 ARG 5 42 34.865 12.174 -2.280 1.00 10.35 H new ATOM 0 HG2 ARG 5 42 36.968 11.990 -0.600 1.00 13.91 H new ATOM 0 HG3 ARG 5 42 37.308 10.547 -1.535 1.00 13.91 H new ATOM 0 HD2 ARG 5 42 37.138 11.922 -3.658 1.00 15.78 H new ATOM 0 HD3 ARG 5 42 36.891 13.357 -2.683 1.00 15.78 H new ATOM 0 HE ARG 5 42 39.276 12.226 -1.641 1.00 21.96 H new ATOM 0 HH11 ARG 5 42 38.032 13.360 -4.710 1.00 26.22 H new ATOM 0 HH12 ARG 5 42 39.631 13.781 -5.331 1.00 26.22 H new ATOM 0 HH21 ARG 5 42 41.294 12.754 -2.456 1.00 25.19 H new ATOM 0 HH22 ARG 5 42 41.447 13.443 -4.075 1.00 25.19 H new ATOM 675 N ASN 5 43 32.609 9.806 -1.090 1.00 7.80 N ATOM 676 CA ASN 5 43 31.143 9.612 -1.299 1.00 7.75 C ATOM 677 C ASN 5 43 30.442 9.755 0.056 1.00 7.34 C ATOM 678 O ASN 5 43 29.867 8.819 0.588 1.00 7.64 O ATOM 679 CB ASN 5 43 30.897 8.209 -1.871 1.00 8.94 C ATOM 680 CG ASN 5 43 29.597 8.172 -2.665 1.00 8.97 C ATOM 681 OD1 ASN 5 43 28.664 8.899 -2.377 1.00 9.17 O ATOM 682 ND2 ASN 5 43 29.485 7.331 -3.655 1.00 10.14 N ATOM 0 H ASN 5 43 33.184 8.990 -1.298 1.00 7.80 H new ATOM 0 HA ASN 5 43 30.753 10.352 -1.997 1.00 7.75 H new ATOM 0 HB2 ASN 5 43 31.730 7.921 -2.513 1.00 8.94 H new ATOM 0 HB3 ASN 5 43 30.854 7.482 -1.060 1.00 8.94 H new ATOM 0 HD21 ASN 5 43 28.616 7.283 -4.187 1.00 10.14 H new ATOM 0 HD22 ASN 5 43 30.266 6.721 -3.897 1.00 10.14 H new ATOM 689 N ASN 5 44 30.521 10.924 0.632 1.00 7.27 N ATOM 690 CA ASN 5 44 29.891 11.170 1.969 1.00 8.28 C ATOM 691 C ASN 5 44 29.338 12.602 2.018 1.00 7.79 C ATOM 692 O ASN 5 44 30.010 13.547 1.643 1.00 9.89 O ATOM 693 CB ASN 5 44 30.955 11.000 3.064 1.00 9.05 C ATOM 694 CG ASN 5 44 30.292 10.907 4.440 1.00 10.15 C ATOM 695 OD1 ASN 5 44 29.698 11.861 4.909 1.00 11.10 O ATOM 696 ND2 ASN 5 44 30.378 9.798 5.121 1.00 10.18 N ATOM 0 H ASN 5 44 31.000 11.731 0.231 1.00 7.27 H new ATOM 0 HA ASN 5 44 29.079 10.461 2.128 1.00 8.28 H new ATOM 0 HB2 ASN 5 44 31.541 10.101 2.874 1.00 9.05 H new ATOM 0 HB3 ASN 5 44 31.647 11.842 3.042 1.00 9.05 H new ATOM 0 HD21 ASN 5 44 29.948 9.732 6.044 1.00 10.18 H new ATOM 0 HD22 ASN 5 44 30.875 8.997 4.731 1.00 10.18 H new ATOM 703 N PHE 5 45 28.119 12.763 2.471 1.00 7.78 N ATOM 704 CA PHE 5 45 27.508 14.124 2.545 1.00 9.51 C ATOM 705 C PHE 5 45 26.634 14.218 3.806 1.00 10.10 C ATOM 706 O PHE 5 45 26.429 13.235 4.505 1.00 9.63 O ATOM 707 CB PHE 5 45 26.669 14.362 1.282 1.00 11.02 C ATOM 708 CG PHE 5 45 27.579 14.270 0.083 1.00 10.38 C ATOM 709 CD1 PHE 5 45 28.305 15.393 -0.328 1.00 11.42 C ATOM 710 CD2 PHE 5 45 27.717 13.055 -0.601 1.00 11.42 C ATOM 711 CE1 PHE 5 45 29.171 15.302 -1.425 1.00 11.73 C ATOM 712 CE2 PHE 5 45 28.585 12.964 -1.696 1.00 10.82 C ATOM 713 CZ PHE 5 45 29.313 14.088 -2.107 1.00 11.68 C ATOM 0 H PHE 5 45 27.518 12.005 2.794 1.00 7.78 H new ATOM 0 HA PHE 5 45 28.284 14.887 2.602 1.00 9.51 H new ATOM 0 HB2 PHE 5 45 25.872 13.622 1.211 1.00 11.02 H new ATOM 0 HB3 PHE 5 45 26.192 15.341 1.322 1.00 11.02 H new ATOM 0 HD1 PHE 5 45 28.198 16.329 0.200 1.00 11.42 H new ATOM 0 HD2 PHE 5 45 27.154 12.189 -0.284 1.00 11.42 H new ATOM 0 HE1 PHE 5 45 29.730 16.169 -1.745 1.00 11.73 H new ATOM 0 HE2 PHE 5 45 28.693 12.028 -2.223 1.00 10.82 H new ATOM 0 HZ PHE 5 45 29.984 14.018 -2.950 1.00 11.68 H new ATOM 723 N LYS 5 46 26.134 15.392 4.118 1.00 13.15 N ATOM 724 CA LYS 5 46 25.282 15.542 5.344 1.00 15.31 C ATOM 725 C LYS 5 46 23.799 15.719 4.951 1.00 14.98 C ATOM 726 O LYS 5 46 22.920 15.466 5.752 1.00 16.56 O ATOM 727 CB LYS 5 46 25.775 16.746 6.177 1.00 17.44 C ATOM 728 CG LYS 5 46 25.065 18.026 5.747 1.00 19.58 C ATOM 729 CD LYS 5 46 25.782 19.235 6.362 1.00 22.85 C ATOM 730 CE LYS 5 46 26.843 19.758 5.391 1.00 24.99 C ATOM 731 NZ LYS 5 46 28.203 19.395 5.888 1.00 27.16 N ATOM 0 H LYS 5 46 26.277 16.247 3.581 1.00 13.15 H new ATOM 0 HA LYS 5 46 25.365 14.639 5.949 1.00 15.31 H new ATOM 0 HB2 LYS 5 46 25.593 16.561 7.236 1.00 17.44 H new ATOM 0 HB3 LYS 5 46 26.852 16.863 6.055 1.00 17.44 H new ATOM 0 HG2 LYS 5 46 25.061 18.106 4.660 1.00 19.58 H new ATOM 0 HG3 LYS 5 46 24.024 18.004 6.069 1.00 19.58 H new ATOM 0 HD2 LYS 5 46 25.061 20.022 6.586 1.00 22.85 H new ATOM 0 HD3 LYS 5 46 26.248 18.952 7.306 1.00 22.85 H new ATOM 0 HE2 LYS 5 46 26.683 19.334 4.400 1.00 24.99 H new ATOM 0 HE3 LYS 5 46 26.758 20.840 5.293 1.00 24.99 H new ATOM 0 HZ1 LYS 5 46 28.838 19.238 5.079 1.00 27.16 H new ATOM 0 HZ2 LYS 5 46 28.575 20.168 6.476 1.00 27.16 H new ATOM 0 HZ3 LYS 5 46 28.145 18.525 6.456 1.00 27.16 H new ATOM 745 N SER 5 47 23.514 16.126 3.732 1.00 15.47 N ATOM 746 CA SER 5 47 22.085 16.297 3.306 1.00 15.09 C ATOM 747 C SER 5 47 21.891 15.783 1.873 1.00 14.56 C ATOM 748 O SER 5 47 22.829 15.674 1.096 1.00 13.03 O ATOM 749 CB SER 5 47 21.709 17.781 3.363 1.00 15.63 C ATOM 750 OG SER 5 47 22.020 18.399 2.115 1.00 16.91 O ATOM 0 H SER 5 47 24.207 16.346 3.017 1.00 15.47 H new ATOM 0 HA SER 5 47 21.447 15.725 3.980 1.00 15.09 H new ATOM 0 HB2 SER 5 47 20.646 17.890 3.580 1.00 15.63 H new ATOM 0 HB3 SER 5 47 22.251 18.274 4.170 1.00 15.63 H new ATOM 0 HG SER 5 47 22.563 19.200 2.273 1.00 16.91 H new ATOM 756 N ALA 5 48 20.667 15.494 1.508 1.00 14.50 N ATOM 757 CA ALA 5 48 20.384 15.019 0.124 1.00 15.49 C ATOM 758 C ALA 5 48 20.697 16.157 -0.842 1.00 14.13 C ATOM 759 O ALA 5 48 21.278 15.959 -1.898 1.00 13.28 O ATOM 760 CB ALA 5 48 18.904 14.637 0.010 1.00 16.34 C ATOM 0 H ALA 5 48 19.850 15.568 2.114 1.00 14.50 H new ATOM 0 HA ALA 5 48 20.994 14.147 -0.112 1.00 15.49 H new ATOM 0 HB1 ALA 5 48 18.695 14.289 -1.002 1.00 16.34 H new ATOM 0 HB2 ALA 5 48 18.678 13.842 0.721 1.00 16.34 H new ATOM 0 HB3 ALA 5 48 18.286 15.507 0.230 1.00 16.34 H new ATOM 766 N GLU 5 49 20.335 17.352 -0.464 1.00 14.30 N ATOM 767 CA GLU 5 49 20.617 18.532 -1.314 1.00 16.73 C ATOM 768 C GLU 5 49 22.138 18.697 -1.419 1.00 14.46 C ATOM 769 O GLU 5 49 22.670 18.993 -2.479 1.00 14.56 O ATOM 770 CB GLU 5 49 19.986 19.778 -0.671 1.00 21.56 C ATOM 771 CG GLU 5 49 18.455 19.606 -0.570 1.00 26.75 C ATOM 772 CD GLU 5 49 18.102 18.460 0.393 1.00 29.54 C ATOM 773 OE1 GLU 5 49 18.831 18.260 1.354 1.00 34.26 O ATOM 774 OE2 GLU 5 49 17.110 17.797 0.146 1.00 32.40 O ATOM 0 H GLU 5 49 19.850 17.559 0.409 1.00 14.30 H new ATOM 0 HA GLU 5 49 20.195 18.401 -2.310 1.00 16.73 H new ATOM 0 HB2 GLU 5 49 20.408 19.938 0.321 1.00 21.56 H new ATOM 0 HB3 GLU 5 49 20.222 20.662 -1.264 1.00 21.56 H new ATOM 0 HG2 GLU 5 49 18.001 20.534 -0.222 1.00 26.75 H new ATOM 0 HG3 GLU 5 49 18.041 19.400 -1.557 1.00 26.75 H new ATOM 781 N ASP 5 50 22.846 18.484 -0.331 1.00 14.10 N ATOM 782 CA ASP 5 50 24.335 18.607 -0.360 1.00 13.93 C ATOM 783 C ASP 5 50 24.914 17.666 -1.410 1.00 11.78 C ATOM 784 O ASP 5 50 25.668 18.072 -2.284 1.00 12.10 O ATOM 785 CB ASP 5 50 24.903 18.231 1.009 1.00 18.61 C ATOM 786 CG ASP 5 50 24.925 19.454 1.894 1.00 25.48 C ATOM 787 OD1 ASP 5 50 23.903 19.734 2.491 1.00 29.01 O ATOM 788 OD2 ASP 5 50 25.952 20.116 1.925 1.00 27.88 O ATOM 0 H ASP 5 50 22.452 18.230 0.575 1.00 14.10 H new ATOM 0 HA ASP 5 50 24.601 19.635 -0.606 1.00 13.93 H new ATOM 0 HB2 ASP 5 50 24.296 17.449 1.465 1.00 18.61 H new ATOM 0 HB3 ASP 5 50 25.910 17.829 0.900 1.00 18.61 H new ATOM 793 N CYS 5 51 24.564 16.406 -1.334 1.00 10.22 N ATOM 794 CA CYS 5 51 25.084 15.410 -2.321 1.00 10.57 C ATOM 795 C CYS 5 51 24.616 15.766 -3.737 1.00 11.23 C ATOM 796 O CYS 5 51 25.369 15.671 -4.693 1.00 11.33 O ATOM 797 CB CYS 5 51 24.553 14.022 -1.950 1.00 9.71 C ATOM 798 SG CYS 5 51 24.870 12.854 -3.301 1.00 10.82 S ATOM 0 H CYS 5 51 23.937 16.023 -0.627 1.00 10.22 H new ATOM 0 HA CYS 5 51 26.174 15.419 -2.298 1.00 10.57 H new ATOM 0 HB2 CYS 5 51 25.033 13.672 -1.036 1.00 9.71 H new ATOM 0 HB3 CYS 5 51 23.483 14.075 -1.748 1.00 9.71 H new ATOM 803 N MET 5 52 23.380 16.159 -3.886 1.00 12.19 N ATOM 804 CA MET 5 52 22.849 16.495 -5.242 1.00 15.04 C ATOM 805 C MET 5 52 23.524 17.752 -5.808 1.00 15.23 C ATOM 806 O MET 5 52 23.938 17.786 -6.954 1.00 16.42 O ATOM 807 CB MET 5 52 21.343 16.733 -5.130 1.00 16.60 C ATOM 808 CG MET 5 52 20.630 15.394 -4.923 1.00 19.07 C ATOM 809 SD MET 5 52 20.861 14.360 -6.391 1.00 21.60 S ATOM 810 CE MET 5 52 19.263 14.734 -7.156 1.00 20.98 C ATOM 0 H MET 5 52 22.710 16.263 -3.124 1.00 12.19 H new ATOM 0 HA MET 5 52 23.059 15.666 -5.918 1.00 15.04 H new ATOM 0 HB2 MET 5 52 21.131 17.403 -4.297 1.00 16.60 H new ATOM 0 HB3 MET 5 52 20.972 17.219 -6.033 1.00 16.60 H new ATOM 0 HG2 MET 5 52 21.028 14.889 -4.042 1.00 19.07 H new ATOM 0 HG3 MET 5 52 19.568 15.559 -4.743 1.00 19.07 H new ATOM 0 HE1 MET 5 52 19.176 14.195 -8.099 1.00 20.98 H new ATOM 0 HE2 MET 5 52 18.459 14.427 -6.487 1.00 20.98 H new ATOM 0 HE3 MET 5 52 19.191 15.805 -7.343 1.00 20.98 H new ATOM 820 N ARG 5 53 23.627 18.786 -5.018 1.00 17.25 N ATOM 821 CA ARG 5 53 24.240 20.063 -5.503 1.00 19.58 C ATOM 822 C ARG 5 53 25.764 19.925 -5.667 1.00 19.14 C ATOM 823 O ARG 5 53 26.370 20.657 -6.422 1.00 18.79 O ATOM 824 CB ARG 5 53 23.894 21.180 -4.486 1.00 21.70 C ATOM 825 CG ARG 5 53 25.041 22.196 -4.338 1.00 24.59 C ATOM 826 CD ARG 5 53 25.995 21.732 -3.228 1.00 26.49 C ATOM 827 NE ARG 5 53 25.408 22.034 -1.892 1.00 30.03 N ATOM 828 CZ ARG 5 53 25.854 21.438 -0.825 1.00 30.47 C ATOM 829 NH1 ARG 5 53 26.811 20.561 -0.901 1.00 30.70 N ATOM 830 NH2 ARG 5 53 25.328 21.704 0.326 1.00 31.82 N ATOM 0 H ARG 5 53 23.311 18.804 -4.048 1.00 17.25 H new ATOM 0 HA ARG 5 53 23.838 20.312 -6.485 1.00 19.58 H new ATOM 0 HB2 ARG 5 53 22.990 21.697 -4.808 1.00 21.70 H new ATOM 0 HB3 ARG 5 53 23.677 20.733 -3.516 1.00 21.70 H new ATOM 0 HG2 ARG 5 53 25.581 22.291 -5.280 1.00 24.59 H new ATOM 0 HG3 ARG 5 53 24.640 23.181 -4.100 1.00 24.59 H new ATOM 0 HD2 ARG 5 53 26.180 20.662 -3.320 1.00 26.49 H new ATOM 0 HD3 ARG 5 53 26.958 22.232 -3.333 1.00 26.49 H new ATOM 0 HE ARG 5 53 24.651 22.713 -1.813 1.00 30.03 H new ATOM 0 HH11 ARG 5 53 27.222 20.332 -1.806 1.00 30.70 H new ATOM 0 HH12 ARG 5 53 27.150 20.102 -0.056 1.00 30.70 H new ATOM 0 HH21 ARG 5 53 24.566 22.379 0.395 1.00 31.82 H new ATOM 0 HH22 ARG 5 53 25.675 21.239 1.165 1.00 31.82 H new ATOM 844 N THR 5 54 26.395 19.023 -4.961 1.00 16.27 N ATOM 845 CA THR 5 54 27.884 18.904 -5.069 1.00 15.50 C ATOM 846 C THR 5 54 28.285 17.728 -5.975 1.00 14.44 C ATOM 847 O THR 5 54 28.897 17.912 -7.011 1.00 14.74 O ATOM 848 CB THR 5 54 28.478 18.720 -3.658 1.00 16.69 C ATOM 849 OG1 THR 5 54 27.632 19.347 -2.685 1.00 17.09 O ATOM 850 CG2 THR 5 54 29.868 19.360 -3.600 1.00 16.12 C ATOM 0 H THR 5 54 25.950 18.367 -4.319 1.00 16.27 H new ATOM 0 HA THR 5 54 28.278 19.815 -5.520 1.00 15.50 H new ATOM 0 HB THR 5 54 28.552 17.654 -3.441 1.00 16.69 H new ATOM 0 HG1 THR 5 54 27.096 18.665 -2.230 1.00 17.09 H new ATOM 0 HG21 THR 5 54 30.287 19.230 -2.602 1.00 16.12 H new ATOM 0 HG22 THR 5 54 30.519 18.883 -4.332 1.00 16.12 H new ATOM 0 HG23 THR 5 54 29.788 20.424 -3.824 1.00 16.12 H new ATOM 858 N CYS 5 55 27.955 16.520 -5.607 1.00 12.64 N ATOM 859 CA CYS 5 55 28.335 15.358 -6.461 1.00 14.57 C ATOM 860 C CYS 5 55 27.358 15.231 -7.625 1.00 16.68 C ATOM 861 O CYS 5 55 27.752 15.106 -8.774 1.00 17.00 O ATOM 862 CB CYS 5 55 28.303 14.076 -5.630 1.00 13.88 C ATOM 863 SG CYS 5 55 28.424 12.648 -6.731 1.00 13.03 S ATOM 0 H CYS 5 55 27.442 16.288 -4.757 1.00 12.64 H new ATOM 0 HA CYS 5 55 29.341 15.515 -6.849 1.00 14.57 H new ATOM 0 HB2 CYS 5 55 29.127 14.071 -4.917 1.00 13.88 H new ATOM 0 HB3 CYS 5 55 27.380 14.027 -5.052 1.00 13.88 H new ATOM 868 N GLY 5 56 26.090 15.251 -7.337 1.00 22.23 N ATOM 869 CA GLY 5 56 25.076 15.125 -8.414 1.00 26.06 C ATOM 870 C GLY 5 56 25.287 16.225 -9.448 1.00 29.57 C ATOM 871 O GLY 5 56 25.901 16.004 -10.479 1.00 31.26 O ATOM 0 H GLY 5 56 25.710 15.350 -6.395 1.00 22.23 H new ATOM 0 HA2 GLY 5 56 25.154 14.147 -8.888 1.00 26.06 H new ATOM 0 HA3 GLY 5 56 24.073 15.196 -7.993 1.00 26.06 H new ATOM 875 N GLY 5 57 24.785 17.404 -9.181 1.00 36.75 N ATOM 876 CA GLY 5 57 24.950 18.543 -10.142 1.00 40.04 C ATOM 877 C GLY 5 57 24.139 18.254 -11.407 1.00 43.19 C ATOM 878 O GLY 5 57 23.390 19.086 -11.882 1.00 44.36 O ATOM 0 H GLY 5 57 24.264 17.630 -8.334 1.00 36.75 H new ATOM 0 HA2 GLY 5 57 24.613 19.473 -9.684 1.00 40.04 H new ATOM 0 HA3 GLY 5 57 26.003 18.674 -10.392 1.00 40.04 H new ATOM 882 N ALA 5 58 24.286 17.073 -11.936 1.00 46.32 N ATOM 883 CA ALA 5 58 23.533 16.666 -13.162 1.00 46.11 C ATOM 884 C ALA 5 58 23.682 15.145 -13.358 1.00 47.14 C ATOM 885 O ALA 5 58 23.998 14.467 -12.390 1.00 47.19 O ATOM 886 CB ALA 5 58 24.081 17.409 -14.384 1.00 45.68 C ATOM 887 OXT ALA 5 58 23.484 14.676 -14.467 1.00 48.98 O ATOM 0 H ALA 5 58 24.909 16.355 -11.565 1.00 46.32 H new ATOM 0 HA ALA 5 58 22.479 16.919 -13.046 1.00 46.11 H new ATOM 0 HB1 ALA 5 58 23.527 17.106 -15.272 1.00 45.68 H new ATOM 0 HB2 ALA 5 58 23.971 18.483 -14.236 1.00 45.68 H new ATOM 0 HB3 ALA 5 58 25.136 17.167 -14.514 1.00 45.68 H new TER 893 ALA 5 58 HETATM 894 O HOH 5 59 32.154 5.980 -0.234 1.00 17.11 O HETATM 897 O HOH 5 60 31.930 6.375 2.209 1.00 12.53 O HETATM 900 O HOH 5 61 31.577 7.052 4.800 1.00 10.62 O HETATM 903 O HOH 5 62 32.842 3.362 10.614 1.00 11.08 O