USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 592 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 GLN : amide:sc= 0.976 K(o=1.3,f=-2.9!) USER MOD Set 1.2: A 69 LYS NZ :NH3+ 151:sc= 0.364 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 130:sc= 0.778 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -58:sc= 0.951 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 54:sc= 0.395 USER MOD Single : A 24 ASN : amide:sc= -0.333 K(o=-0.33,f=-1.8) USER MOD Single : A 26 ASN : amide:sc= -0.134 K(o=-0.13,f=-3.3!) USER MOD Single : A 28 GLN :FLIP amide:sc=-0.00653 F(o=-1.4!,f=-0.0065) USER MOD Single : A 38 MET CE :methyl -141:sc= -1.45 (180deg=-2.71!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc=-0.00338 K(o=-0.0034,f=-0.52) USER MOD Single : A 47 ASN :FLIP amide:sc= -0.11 F(o=-3!,f=-0.11) USER MOD Single : A 63 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.032) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N VAL A 3 -6.151 10.836 1.072 1.00 71.41 N ATOM 33 CA VAL A 3 -5.288 10.409 -0.041 1.00 14.35 C ATOM 34 C VAL A 3 -5.876 10.737 -1.425 1.00 24.13 C ATOM 35 O VAL A 3 -7.089 10.679 -1.634 1.00 14.03 O ATOM 36 CB VAL A 3 -5.012 8.888 0.058 1.00 63.02 C ATOM 37 CG1 VAL A 3 -4.213 8.380 -1.142 1.00 33.45 C ATOM 38 CG2 VAL A 3 -4.287 8.577 1.360 1.00 12.11 C ATOM 0 HA VAL A 3 -4.359 10.972 0.052 1.00 14.35 H new ATOM 0 HB VAL A 3 -5.970 8.368 0.051 1.00 63.02 H new ATOM 0 HG11 VAL A 3 -4.039 7.309 -1.036 1.00 33.45 H new ATOM 0 HG12 VAL A 3 -4.773 8.568 -2.058 1.00 33.45 H new ATOM 0 HG13 VAL A 3 -3.256 8.900 -1.188 1.00 33.45 H new ATOM 0 HG21 VAL A 3 -4.096 7.506 1.423 1.00 12.11 H new ATOM 0 HG22 VAL A 3 -3.340 9.117 1.387 1.00 12.11 H new ATOM 0 HG23 VAL A 3 -4.905 8.886 2.203 1.00 12.11 H new ATOM 48 N GLU A 4 -4.993 11.086 -2.361 1.00 51.12 N ATOM 49 CA GLU A 4 -5.367 11.340 -3.757 1.00 14.13 C ATOM 50 C GLU A 4 -4.799 10.257 -4.694 1.00 11.31 C ATOM 51 O GLU A 4 -3.694 9.753 -4.476 1.00 62.12 O ATOM 52 CB GLU A 4 -4.834 12.705 -4.203 1.00 3.43 C ATOM 53 CG GLU A 4 -5.365 13.885 -3.403 1.00 3.53 C ATOM 54 CD GLU A 4 -4.768 15.198 -3.874 1.00 3.25 C ATOM 55 OE1 GLU A 4 -5.195 15.695 -4.937 1.00 34.43 O ATOM 56 OE2 GLU A 4 -3.860 15.731 -3.201 1.00 61.10 O ATOM 0 H GLU A 4 -3.997 11.201 -2.175 1.00 51.12 H new ATOM 0 HA GLU A 4 -6.455 11.323 -3.815 1.00 14.13 H new ATOM 0 HB2 GLU A 4 -3.746 12.696 -4.133 1.00 3.43 H new ATOM 0 HB3 GLU A 4 -5.085 12.853 -5.253 1.00 3.43 H new ATOM 0 HG2 GLU A 4 -6.451 13.926 -3.493 1.00 3.53 H new ATOM 0 HG3 GLU A 4 -5.138 13.740 -2.347 1.00 3.53 H new ATOM 63 N PRO A 5 -5.541 9.890 -5.759 1.00 3.11 N ATOM 64 CA PRO A 5 -5.055 8.936 -6.772 1.00 23.32 C ATOM 65 C PRO A 5 -3.857 9.479 -7.578 1.00 52.04 C ATOM 66 O PRO A 5 -3.824 10.655 -7.949 1.00 4.53 O ATOM 67 CB PRO A 5 -6.275 8.727 -7.694 1.00 23.00 C ATOM 68 CG PRO A 5 -7.446 9.246 -6.922 1.00 1.33 C ATOM 69 CD PRO A 5 -6.909 10.348 -6.051 1.00 53.32 C ATOM 0 HA PRO A 5 -4.690 8.018 -6.312 1.00 23.32 H new ATOM 0 HB2 PRO A 5 -6.154 9.265 -8.634 1.00 23.00 H new ATOM 0 HB3 PRO A 5 -6.404 7.674 -7.943 1.00 23.00 H new ATOM 0 HG2 PRO A 5 -8.221 9.620 -7.592 1.00 1.33 H new ATOM 0 HG3 PRO A 5 -7.898 8.457 -6.320 1.00 1.33 H new ATOM 0 HD2 PRO A 5 -6.913 11.309 -6.565 1.00 53.32 H new ATOM 0 HD3 PRO A 5 -7.498 10.470 -5.142 1.00 53.32 H new ATOM 77 N GLY A 6 -2.877 8.614 -7.840 1.00 61.33 N ATOM 78 CA GLY A 6 -1.700 8.994 -8.619 1.00 44.34 C ATOM 79 C GLY A 6 -0.656 9.793 -7.835 1.00 64.52 C ATOM 80 O GLY A 6 0.321 10.271 -8.415 1.00 53.21 O ATOM 0 H GLY A 6 -2.876 7.644 -7.523 1.00 61.33 H new ATOM 0 HA2 GLY A 6 -1.231 8.091 -9.010 1.00 44.34 H new ATOM 0 HA3 GLY A 6 -2.022 9.583 -9.477 1.00 44.34 H new ATOM 84 N LYS A 7 -0.836 9.933 -6.521 1.00 21.01 N ATOM 85 CA LYS A 7 0.072 10.755 -5.705 1.00 72.22 C ATOM 86 C LYS A 7 1.004 9.916 -4.807 1.00 24.13 C ATOM 87 O LYS A 7 0.779 8.725 -4.577 1.00 45.51 O ATOM 88 CB LYS A 7 -0.734 11.754 -4.864 1.00 32.05 C ATOM 89 CG LYS A 7 -1.453 12.816 -5.695 1.00 42.35 C ATOM 90 CD LYS A 7 -0.475 13.633 -6.539 1.00 23.22 C ATOM 91 CE LYS A 7 -1.184 14.703 -7.362 1.00 12.20 C ATOM 92 NZ LYS A 7 -0.232 15.489 -8.189 1.00 73.23 N ATOM 0 H LYS A 7 -1.594 9.494 -5.998 1.00 21.01 H new ATOM 0 HA LYS A 7 0.718 11.297 -6.396 1.00 72.22 H new ATOM 0 HB2 LYS A 7 -1.470 11.208 -4.273 1.00 32.05 H new ATOM 0 HB3 LYS A 7 -0.063 12.248 -4.161 1.00 32.05 H new ATOM 0 HG2 LYS A 7 -2.182 12.335 -6.347 1.00 42.35 H new ATOM 0 HG3 LYS A 7 -2.007 13.482 -5.033 1.00 42.35 H new ATOM 0 HD2 LYS A 7 0.260 14.105 -5.887 1.00 23.22 H new ATOM 0 HD3 LYS A 7 0.072 12.967 -7.206 1.00 23.22 H new ATOM 0 HE2 LYS A 7 -1.924 14.232 -8.009 1.00 12.20 H new ATOM 0 HE3 LYS A 7 -1.725 15.374 -6.695 1.00 12.20 H new ATOM 0 HZ1 LYS A 7 -0.754 16.205 -8.733 1.00 73.23 H new ATOM 0 HZ2 LYS A 7 0.459 15.960 -7.570 1.00 73.23 H new ATOM 0 HZ3 LYS A 7 0.266 14.853 -8.844 1.00 73.23 H new ATOM 106 N PHE A 8 2.053 10.573 -4.302 1.00 34.22 N ATOM 107 CA PHE A 8 3.118 9.920 -3.523 1.00 11.52 C ATOM 108 C PHE A 8 2.810 9.945 -2.014 1.00 72.51 C ATOM 109 O PHE A 8 2.542 11.008 -1.446 1.00 64.03 O ATOM 110 CB PHE A 8 4.456 10.640 -3.772 1.00 21.10 C ATOM 111 CG PHE A 8 4.949 10.607 -5.207 1.00 50.33 C ATOM 112 CD1 PHE A 8 4.098 10.888 -6.269 1.00 51.34 C ATOM 113 CD2 PHE A 8 6.274 10.305 -5.488 1.00 70.42 C ATOM 114 CE1 PHE A 8 4.557 10.864 -7.571 1.00 54.31 C ATOM 115 CE2 PHE A 8 6.736 10.280 -6.792 1.00 33.24 C ATOM 116 CZ PHE A 8 5.876 10.558 -7.833 1.00 21.32 C ATOM 0 H PHE A 8 2.191 11.577 -4.421 1.00 34.22 H new ATOM 0 HA PHE A 8 3.179 8.881 -3.847 1.00 11.52 H new ATOM 0 HB2 PHE A 8 4.354 11.680 -3.463 1.00 21.10 H new ATOM 0 HB3 PHE A 8 5.216 10.191 -3.133 1.00 21.10 H new ATOM 0 HD1 PHE A 8 3.063 11.128 -6.073 1.00 51.34 H new ATOM 0 HD2 PHE A 8 6.954 10.086 -4.678 1.00 70.42 H new ATOM 0 HE1 PHE A 8 3.882 11.085 -8.385 1.00 54.31 H new ATOM 0 HE2 PHE A 8 7.770 10.043 -6.994 1.00 33.24 H new ATOM 0 HZ PHE A 8 6.234 10.536 -8.852 1.00 21.32 H new ATOM 126 N TYR A 9 2.866 8.783 -1.358 1.00 5.04 N ATOM 127 CA TYR A 9 2.581 8.699 0.085 1.00 13.10 C ATOM 128 C TYR A 9 3.499 7.698 0.808 1.00 22.11 C ATOM 129 O TYR A 9 4.150 6.862 0.186 1.00 41.33 O ATOM 130 CB TYR A 9 1.112 8.307 0.316 1.00 53.01 C ATOM 131 CG TYR A 9 0.115 9.350 -0.155 1.00 73.20 C ATOM 132 CD1 TYR A 9 -0.253 10.409 0.669 1.00 45.51 C ATOM 133 CD2 TYR A 9 -0.451 9.279 -1.422 1.00 3.12 C ATOM 134 CE1 TYR A 9 -1.155 11.365 0.241 1.00 10.14 C ATOM 135 CE2 TYR A 9 -1.350 10.232 -1.855 1.00 51.15 C ATOM 136 CZ TYR A 9 -1.698 11.272 -1.020 1.00 73.15 C ATOM 137 OH TYR A 9 -2.596 12.224 -1.451 1.00 4.04 O ATOM 0 H TYR A 9 3.103 7.892 -1.794 1.00 5.04 H new ATOM 0 HA TYR A 9 2.773 9.687 0.503 1.00 13.10 H new ATOM 0 HB2 TYR A 9 0.911 7.368 -0.200 1.00 53.01 H new ATOM 0 HB3 TYR A 9 0.958 8.126 1.380 1.00 53.01 H new ATOM 0 HD1 TYR A 9 0.173 10.485 1.659 1.00 45.51 H new ATOM 0 HD2 TYR A 9 -0.183 8.465 -2.079 1.00 3.12 H new ATOM 0 HE1 TYR A 9 -1.432 12.180 0.893 1.00 10.14 H new ATOM 0 HE2 TYR A 9 -1.779 10.163 -2.844 1.00 51.15 H new ATOM 0 HH TYR A 9 -2.323 12.556 -2.332 1.00 4.04 H new ATOM 147 N LYS A 10 3.550 7.804 2.135 1.00 53.14 N ATOM 148 CA LYS A 10 4.311 6.865 2.969 1.00 65.51 C ATOM 149 C LYS A 10 3.392 6.163 3.980 1.00 62.33 C ATOM 150 O LYS A 10 2.664 6.815 4.734 1.00 1.04 O ATOM 151 CB LYS A 10 5.436 7.597 3.713 1.00 4.34 C ATOM 152 CG LYS A 10 6.221 6.710 4.681 1.00 12.25 C ATOM 153 CD LYS A 10 7.296 7.498 5.429 1.00 12.11 C ATOM 154 CE LYS A 10 8.376 8.016 4.489 1.00 3.44 C ATOM 155 NZ LYS A 10 9.361 8.881 5.189 1.00 31.41 N ATOM 0 H LYS A 10 3.071 8.535 2.662 1.00 53.14 H new ATOM 0 HA LYS A 10 4.748 6.113 2.313 1.00 65.51 H new ATOM 0 HB2 LYS A 10 6.126 8.020 2.983 1.00 4.34 H new ATOM 0 HB3 LYS A 10 5.008 8.432 4.267 1.00 4.34 H new ATOM 0 HG2 LYS A 10 5.535 6.260 5.399 1.00 12.25 H new ATOM 0 HG3 LYS A 10 6.687 5.893 4.129 1.00 12.25 H new ATOM 0 HD2 LYS A 10 6.835 8.337 5.950 1.00 12.11 H new ATOM 0 HD3 LYS A 10 7.750 6.862 6.189 1.00 12.11 H new ATOM 0 HE2 LYS A 10 8.895 7.172 4.034 1.00 3.44 H new ATOM 0 HE3 LYS A 10 7.911 8.579 3.679 1.00 3.44 H new ATOM 0 HZ1 LYS A 10 10.077 9.211 4.511 1.00 31.41 H new ATOM 0 HZ2 LYS A 10 8.872 9.701 5.602 1.00 31.41 H new ATOM 0 HZ3 LYS A 10 9.824 8.338 5.945 1.00 31.41 H new ATOM 169 N GLY A 11 3.433 4.834 4.005 1.00 54.24 N ATOM 170 CA GLY A 11 2.569 4.076 4.904 1.00 24.30 C ATOM 171 C GLY A 11 3.281 2.927 5.607 1.00 2.21 C ATOM 172 O GLY A 11 4.436 2.626 5.310 1.00 21.11 O ATOM 0 H GLY A 11 4.047 4.266 3.421 1.00 54.24 H new ATOM 0 HA2 GLY A 11 2.157 4.751 5.654 1.00 24.30 H new ATOM 0 HA3 GLY A 11 1.727 3.679 4.337 1.00 24.30 H new ATOM 176 N VAL A 12 2.582 2.280 6.538 1.00 65.03 N ATOM 177 CA VAL A 12 3.153 1.170 7.308 1.00 13.54 C ATOM 178 C VAL A 12 2.427 -0.161 7.012 1.00 51.15 C ATOM 179 O VAL A 12 1.199 -0.199 6.887 1.00 30.14 O ATOM 180 CB VAL A 12 3.100 1.473 8.829 1.00 74.14 C ATOM 181 CG1 VAL A 12 1.659 1.613 9.319 1.00 14.34 C ATOM 182 CG2 VAL A 12 3.854 0.408 9.620 1.00 41.44 C ATOM 0 H VAL A 12 1.617 2.504 6.780 1.00 65.03 H new ATOM 0 HA VAL A 12 4.194 1.065 7.001 1.00 13.54 H new ATOM 0 HB VAL A 12 3.595 2.430 8.997 1.00 74.14 H new ATOM 0 HG11 VAL A 12 1.657 1.825 10.388 1.00 14.34 H new ATOM 0 HG12 VAL A 12 1.171 2.429 8.786 1.00 14.34 H new ATOM 0 HG13 VAL A 12 1.119 0.685 9.132 1.00 14.34 H new ATOM 0 HG21 VAL A 12 3.804 0.641 10.684 1.00 41.44 H new ATOM 0 HG22 VAL A 12 3.402 -0.567 9.440 1.00 41.44 H new ATOM 0 HG23 VAL A 12 4.896 0.388 9.302 1.00 41.44 H new ATOM 192 N VAL A 13 3.198 -1.244 6.882 1.00 20.31 N ATOM 193 CA VAL A 13 2.640 -2.572 6.593 1.00 32.44 C ATOM 194 C VAL A 13 1.887 -3.159 7.804 1.00 60.54 C ATOM 195 O VAL A 13 2.424 -3.216 8.912 1.00 33.13 O ATOM 196 CB VAL A 13 3.753 -3.561 6.158 1.00 4.33 C ATOM 197 CG1 VAL A 13 3.167 -4.931 5.826 1.00 73.44 C ATOM 198 CG2 VAL A 13 4.539 -3.002 4.969 1.00 73.24 C ATOM 0 H VAL A 13 4.214 -1.229 6.972 1.00 20.31 H new ATOM 0 HA VAL A 13 1.931 -2.439 5.776 1.00 32.44 H new ATOM 0 HB VAL A 13 4.442 -3.684 6.994 1.00 4.33 H new ATOM 0 HG11 VAL A 13 3.968 -5.606 5.524 1.00 73.44 H new ATOM 0 HG12 VAL A 13 2.665 -5.335 6.705 1.00 73.44 H new ATOM 0 HG13 VAL A 13 2.449 -4.832 5.012 1.00 73.44 H new ATOM 0 HG21 VAL A 13 5.315 -3.711 4.680 1.00 73.24 H new ATOM 0 HG22 VAL A 13 3.863 -2.841 4.129 1.00 73.24 H new ATOM 0 HG23 VAL A 13 5.000 -2.055 5.250 1.00 73.24 H new ATOM 208 N THR A 14 0.646 -3.600 7.575 1.00 64.02 N ATOM 209 CA THR A 14 -0.200 -4.160 8.647 1.00 21.22 C ATOM 210 C THR A 14 -0.245 -5.695 8.604 1.00 75.05 C ATOM 211 O THR A 14 0.072 -6.363 9.590 1.00 44.22 O ATOM 212 CB THR A 14 -1.651 -3.627 8.568 1.00 60.43 C ATOM 213 OG1 THR A 14 -2.281 -4.070 7.356 1.00 72.03 O ATOM 214 CG2 THR A 14 -1.675 -2.103 8.623 1.00 32.45 C ATOM 0 H THR A 14 0.200 -3.582 6.658 1.00 64.02 H new ATOM 0 HA THR A 14 0.257 -3.840 9.583 1.00 21.22 H new ATOM 0 HB THR A 14 -2.198 -4.019 9.425 1.00 60.43 H new ATOM 0 HG1 THR A 14 -1.762 -3.759 6.585 1.00 72.03 H new ATOM 0 HG21 THR A 14 -2.706 -1.753 8.566 1.00 32.45 H new ATOM 0 HG22 THR A 14 -1.229 -1.766 9.558 1.00 32.45 H new ATOM 0 HG23 THR A 14 -1.108 -1.700 7.784 1.00 32.45 H new ATOM 222 N ARG A 15 -0.664 -6.258 7.469 1.00 45.24 N ATOM 223 CA ARG A 15 -0.716 -7.719 7.311 1.00 65.33 C ATOM 224 C ARG A 15 -0.284 -8.153 5.902 1.00 33.10 C ATOM 225 O ARG A 15 -0.553 -7.466 4.912 1.00 1.30 O ATOM 226 CB ARG A 15 -2.126 -8.247 7.624 1.00 34.10 C ATOM 227 CG ARG A 15 -3.194 -7.885 6.592 1.00 25.34 C ATOM 228 CD ARG A 15 -4.586 -8.320 7.055 1.00 10.33 C ATOM 229 NE ARG A 15 -5.565 -8.349 5.964 1.00 63.31 N ATOM 230 CZ ARG A 15 -6.565 -7.515 5.838 1.00 52.24 C ATOM 231 NH1 ARG A 15 -6.695 -6.509 6.644 1.00 42.00 N ATOM 232 NH2 ARG A 15 -7.432 -7.685 4.891 1.00 61.45 N ATOM 0 H ARG A 15 -0.971 -5.733 6.650 1.00 45.24 H new ATOM 0 HA ARG A 15 -0.012 -8.150 8.022 1.00 65.33 H new ATOM 0 HB2 ARG A 15 -2.080 -9.332 7.712 1.00 34.10 H new ATOM 0 HB3 ARG A 15 -2.435 -7.861 8.595 1.00 34.10 H new ATOM 0 HG2 ARG A 15 -3.186 -6.809 6.420 1.00 25.34 H new ATOM 0 HG3 ARG A 15 -2.960 -8.362 5.640 1.00 25.34 H new ATOM 0 HD2 ARG A 15 -4.521 -9.311 7.505 1.00 10.33 H new ATOM 0 HD3 ARG A 15 -4.935 -7.639 7.832 1.00 10.33 H new ATOM 0 HE ARG A 15 -5.459 -9.072 5.252 1.00 63.31 H new ATOM 0 HH11 ARG A 15 -6.013 -6.360 7.388 1.00 42.00 H new ATOM 0 HH12 ARG A 15 -7.479 -5.866 6.535 1.00 42.00 H new ATOM 0 HH21 ARG A 15 -7.335 -8.468 4.245 1.00 61.45 H new ATOM 0 HH22 ARG A 15 -8.212 -7.036 4.791 1.00 61.45 H new ATOM 246 N ILE A 16 0.390 -9.299 5.824 1.00 21.11 N ATOM 247 CA ILE A 16 0.893 -9.824 4.549 1.00 41.11 C ATOM 248 C ILE A 16 -0.061 -10.871 3.952 1.00 64.15 C ATOM 249 O ILE A 16 -0.175 -11.987 4.464 1.00 4.22 O ATOM 250 CB ILE A 16 2.295 -10.473 4.722 1.00 21.22 C ATOM 251 CG1 ILE A 16 3.290 -9.468 5.332 1.00 71.35 C ATOM 252 CG2 ILE A 16 2.818 -11.005 3.383 1.00 3.35 C ATOM 253 CD1 ILE A 16 3.569 -8.263 4.457 1.00 45.42 C ATOM 0 H ILE A 16 0.603 -9.886 6.630 1.00 21.11 H new ATOM 0 HA ILE A 16 0.964 -8.974 3.870 1.00 41.11 H new ATOM 0 HB ILE A 16 2.196 -11.315 5.407 1.00 21.22 H new ATOM 0 HG12 ILE A 16 2.901 -9.125 6.291 1.00 71.35 H new ATOM 0 HG13 ILE A 16 4.230 -9.981 5.535 1.00 71.35 H new ATOM 0 HG21 ILE A 16 3.800 -11.455 3.529 1.00 3.35 H new ATOM 0 HG22 ILE A 16 2.129 -11.756 2.996 1.00 3.35 H new ATOM 0 HG23 ILE A 16 2.897 -10.183 2.671 1.00 3.35 H new ATOM 0 HD11 ILE A 16 4.279 -7.605 4.959 1.00 45.42 H new ATOM 0 HD12 ILE A 16 3.989 -8.593 3.507 1.00 45.42 H new ATOM 0 HD13 ILE A 16 2.640 -7.723 4.275 1.00 45.42 H new ATOM 265 N GLU A 17 -0.756 -10.508 2.880 1.00 34.14 N ATOM 266 CA GLU A 17 -1.575 -11.466 2.129 1.00 4.15 C ATOM 267 C GLU A 17 -0.759 -12.020 0.951 1.00 1.24 C ATOM 268 O GLU A 17 0.107 -11.331 0.415 1.00 23.44 O ATOM 269 CB GLU A 17 -2.844 -10.785 1.594 1.00 44.42 C ATOM 270 CG GLU A 17 -3.631 -9.994 2.635 1.00 72.33 C ATOM 271 CD GLU A 17 -4.388 -10.873 3.614 1.00 63.55 C ATOM 272 OE1 GLU A 17 -5.321 -11.581 3.180 1.00 55.21 O ATOM 273 OE2 GLU A 17 -4.079 -10.839 4.823 1.00 0.53 O ATOM 0 H GLU A 17 -0.772 -9.559 2.508 1.00 34.14 H new ATOM 0 HA GLU A 17 -1.866 -12.278 2.795 1.00 4.15 H new ATOM 0 HB2 GLU A 17 -2.565 -10.113 0.782 1.00 44.42 H new ATOM 0 HB3 GLU A 17 -3.496 -11.547 1.167 1.00 44.42 H new ATOM 0 HG2 GLU A 17 -2.945 -9.353 3.189 1.00 72.33 H new ATOM 0 HG3 GLU A 17 -4.337 -9.339 2.125 1.00 72.33 H new ATOM 280 N LYS A 18 -1.045 -13.248 0.526 1.00 53.14 N ATOM 281 CA LYS A 18 -0.299 -13.864 -0.585 1.00 11.51 C ATOM 282 C LYS A 18 -0.524 -13.120 -1.917 1.00 72.55 C ATOM 283 O LYS A 18 0.183 -13.356 -2.900 1.00 72.23 O ATOM 284 CB LYS A 18 -0.677 -15.346 -0.726 1.00 13.22 C ATOM 285 CG LYS A 18 -0.210 -16.207 0.447 1.00 44.14 C ATOM 286 CD LYS A 18 -0.557 -17.683 0.257 1.00 21.01 C ATOM 287 CE LYS A 18 -2.062 -17.920 0.256 1.00 10.23 C ATOM 288 NZ LYS A 18 -2.400 -19.347 0.011 1.00 63.23 N ATOM 0 H LYS A 18 -1.778 -13.836 0.924 1.00 53.14 H new ATOM 0 HA LYS A 18 0.762 -13.788 -0.347 1.00 11.51 H new ATOM 0 HB2 LYS A 18 -1.760 -15.430 -0.820 1.00 13.22 H new ATOM 0 HB3 LYS A 18 -0.246 -15.737 -1.648 1.00 13.22 H new ATOM 0 HG2 LYS A 18 0.868 -16.102 0.565 1.00 44.14 H new ATOM 0 HG3 LYS A 18 -0.668 -15.844 1.367 1.00 44.14 H new ATOM 0 HD2 LYS A 18 -0.134 -18.037 -0.683 1.00 21.01 H new ATOM 0 HD3 LYS A 18 -0.098 -18.269 1.054 1.00 21.01 H new ATOM 0 HE2 LYS A 18 -2.479 -17.608 1.213 1.00 10.23 H new ATOM 0 HE3 LYS A 18 -2.526 -17.300 -0.511 1.00 10.23 H new ATOM 0 HZ1 LYS A 18 -3.433 -19.465 0.018 1.00 63.23 H new ATOM 0 HZ2 LYS A 18 -2.025 -19.639 -0.914 1.00 63.23 H new ATOM 0 HZ3 LYS A 18 -1.979 -19.937 0.757 1.00 63.23 H new ATOM 302 N TYR A 19 -1.508 -12.218 -1.940 1.00 73.42 N ATOM 303 CA TYR A 19 -1.800 -11.403 -3.129 1.00 4.22 C ATOM 304 C TYR A 19 -1.432 -9.921 -2.916 1.00 60.33 C ATOM 305 O TYR A 19 -1.637 -9.091 -3.805 1.00 53.33 O ATOM 306 CB TYR A 19 -3.287 -11.529 -3.505 1.00 64.33 C ATOM 307 CG TYR A 19 -4.241 -11.239 -2.358 1.00 54.45 C ATOM 308 CD1 TYR A 19 -4.653 -12.256 -1.502 1.00 60.12 C ATOM 309 CD2 TYR A 19 -4.724 -9.953 -2.125 1.00 12.22 C ATOM 310 CE1 TYR A 19 -5.513 -12.001 -0.453 1.00 61.33 C ATOM 311 CE2 TYR A 19 -5.586 -9.693 -1.076 1.00 52.44 C ATOM 312 CZ TYR A 19 -5.975 -10.720 -0.243 1.00 65.23 C ATOM 313 OH TYR A 19 -6.829 -10.468 0.809 1.00 13.13 O ATOM 0 H TYR A 19 -2.121 -12.031 -1.146 1.00 73.42 H new ATOM 0 HA TYR A 19 -1.185 -11.781 -3.946 1.00 4.22 H new ATOM 0 HB2 TYR A 19 -3.503 -10.845 -4.326 1.00 64.33 H new ATOM 0 HB3 TYR A 19 -3.474 -12.538 -3.873 1.00 64.33 H new ATOM 0 HD1 TYR A 19 -4.294 -13.262 -1.661 1.00 60.12 H new ATOM 0 HD2 TYR A 19 -4.420 -9.146 -2.775 1.00 12.22 H new ATOM 0 HE1 TYR A 19 -5.823 -12.803 0.201 1.00 61.33 H new ATOM 0 HE2 TYR A 19 -5.953 -8.691 -0.910 1.00 52.44 H new ATOM 0 HH TYR A 19 -6.429 -10.797 1.641 1.00 13.13 H new ATOM 323 N GLY A 20 -0.887 -9.595 -1.742 1.00 12.33 N ATOM 324 CA GLY A 20 -0.513 -8.211 -1.443 1.00 33.14 C ATOM 325 C GLY A 20 -0.514 -7.890 0.053 1.00 2.30 C ATOM 326 O GLY A 20 -1.151 -8.574 0.844 1.00 50.22 O ATOM 0 H GLY A 20 -0.697 -10.260 -0.992 1.00 12.33 H new ATOM 0 HA2 GLY A 20 0.480 -8.015 -1.848 1.00 33.14 H new ATOM 0 HA3 GLY A 20 -1.203 -7.538 -1.952 1.00 33.14 H new ATOM 330 N ALA A 21 0.196 -6.838 0.443 1.00 13.34 N ATOM 331 CA ALA A 21 0.259 -6.421 1.847 1.00 61.15 C ATOM 332 C ALA A 21 -0.600 -5.173 2.098 1.00 71.51 C ATOM 333 O ALA A 21 -0.470 -4.171 1.398 1.00 0.34 O ATOM 334 CB ALA A 21 1.707 -6.151 2.244 1.00 12.23 C ATOM 0 H ALA A 21 0.739 -6.254 -0.192 1.00 13.34 H new ATOM 0 HA ALA A 21 -0.139 -7.230 2.460 1.00 61.15 H new ATOM 0 HB1 ALA A 21 1.746 -5.842 3.288 1.00 12.23 H new ATOM 0 HB2 ALA A 21 2.296 -7.059 2.112 1.00 12.23 H new ATOM 0 HB3 ALA A 21 2.115 -5.359 1.616 1.00 12.23 H new ATOM 340 N PHE A 22 -1.472 -5.232 3.101 1.00 20.43 N ATOM 341 CA PHE A 22 -2.324 -4.087 3.445 1.00 22.44 C ATOM 342 C PHE A 22 -1.529 -3.015 4.204 1.00 51.31 C ATOM 343 O PHE A 22 -0.895 -3.296 5.221 1.00 22.45 O ATOM 344 CB PHE A 22 -3.541 -4.539 4.270 1.00 73.40 C ATOM 345 CG PHE A 22 -4.637 -5.166 3.439 1.00 34.24 C ATOM 346 CD1 PHE A 22 -4.603 -6.514 3.112 1.00 61.55 C ATOM 347 CD2 PHE A 22 -5.702 -4.401 2.984 1.00 53.20 C ATOM 348 CE1 PHE A 22 -5.608 -7.085 2.351 1.00 75.10 C ATOM 349 CE2 PHE A 22 -6.708 -4.966 2.222 1.00 72.24 C ATOM 350 CZ PHE A 22 -6.661 -6.309 1.907 1.00 30.34 C ATOM 0 H PHE A 22 -1.610 -6.054 3.690 1.00 20.43 H new ATOM 0 HA PHE A 22 -2.683 -3.648 2.514 1.00 22.44 H new ATOM 0 HB2 PHE A 22 -3.213 -5.255 5.023 1.00 73.40 H new ATOM 0 HB3 PHE A 22 -3.947 -3.680 4.803 1.00 73.40 H new ATOM 0 HD1 PHE A 22 -3.782 -7.125 3.456 1.00 61.55 H new ATOM 0 HD2 PHE A 22 -5.746 -3.350 3.229 1.00 53.20 H new ATOM 0 HE1 PHE A 22 -5.569 -8.136 2.105 1.00 75.10 H new ATOM 0 HE2 PHE A 22 -7.529 -4.357 1.874 1.00 72.24 H new ATOM 0 HZ PHE A 22 -7.447 -6.753 1.314 1.00 30.34 H new ATOM 360 N ILE A 23 -1.575 -1.785 3.704 1.00 64.03 N ATOM 361 CA ILE A 23 -0.792 -0.680 4.269 1.00 63.33 C ATOM 362 C ILE A 23 -1.682 0.514 4.649 1.00 43.34 C ATOM 363 O ILE A 23 -2.570 0.906 3.892 1.00 55.13 O ATOM 364 CB ILE A 23 0.295 -0.203 3.266 1.00 70.04 C ATOM 365 CG1 ILE A 23 1.343 -1.307 3.043 1.00 61.40 C ATOM 366 CG2 ILE A 23 0.962 1.087 3.747 1.00 24.21 C ATOM 367 CD1 ILE A 23 2.447 -0.920 2.080 1.00 30.01 C ATOM 0 H ILE A 23 -2.149 -1.522 2.903 1.00 64.03 H new ATOM 0 HA ILE A 23 -0.316 -1.061 5.172 1.00 63.33 H new ATOM 0 HB ILE A 23 -0.193 0.009 2.315 1.00 70.04 H new ATOM 0 HG12 ILE A 23 1.787 -1.572 4.002 1.00 61.40 H new ATOM 0 HG13 ILE A 23 0.842 -2.199 2.667 1.00 61.40 H new ATOM 0 HG21 ILE A 23 1.718 1.397 3.025 1.00 24.21 H new ATOM 0 HG22 ILE A 23 0.211 1.871 3.844 1.00 24.21 H new ATOM 0 HG23 ILE A 23 1.433 0.914 4.714 1.00 24.21 H new ATOM 0 HD11 ILE A 23 3.146 -1.750 1.975 1.00 30.01 H new ATOM 0 HD12 ILE A 23 2.015 -0.684 1.107 1.00 30.01 H new ATOM 0 HD13 ILE A 23 2.975 -0.047 2.464 1.00 30.01 H new ATOM 379 N ASN A 24 -1.433 1.091 5.826 1.00 11.03 N ATOM 380 CA ASN A 24 -2.153 2.293 6.267 1.00 32.02 C ATOM 381 C ASN A 24 -1.288 3.547 6.078 1.00 0.32 C ATOM 382 O ASN A 24 -0.157 3.612 6.567 1.00 42.42 O ATOM 383 CB ASN A 24 -2.566 2.180 7.742 1.00 22.12 C ATOM 384 CG ASN A 24 -3.482 1.002 8.016 1.00 22.13 C ATOM 385 OD1 ASN A 24 -4.181 0.517 7.134 1.00 10.11 O ATOM 386 ND2 ASN A 24 -3.501 0.546 9.255 1.00 65.24 N ATOM 0 H ASN A 24 -0.740 0.748 6.492 1.00 11.03 H new ATOM 0 HA ASN A 24 -3.050 2.379 5.653 1.00 32.02 H new ATOM 0 HB2 ASN A 24 -1.671 2.087 8.357 1.00 22.12 H new ATOM 0 HB3 ASN A 24 -3.067 3.100 8.044 1.00 22.12 H new ATOM 0 HD21 ASN A 24 -4.111 -0.233 9.502 1.00 65.24 H new ATOM 0 HD22 ASN A 24 -2.906 0.973 9.965 1.00 65.24 H new ATOM 393 N LEU A 25 -1.822 4.542 5.370 1.00 12.45 N ATOM 394 CA LEU A 25 -1.123 5.822 5.169 1.00 72.14 C ATOM 395 C LEU A 25 -1.465 6.813 6.291 1.00 63.42 C ATOM 396 O LEU A 25 -0.765 7.807 6.498 1.00 11.11 O ATOM 397 CB LEU A 25 -1.507 6.436 3.815 1.00 71.05 C ATOM 398 CG LEU A 25 -1.248 5.556 2.582 1.00 75.32 C ATOM 399 CD1 LEU A 25 -1.691 6.276 1.313 1.00 22.40 C ATOM 400 CD2 LEU A 25 0.222 5.159 2.493 1.00 11.41 C ATOM 0 H LEU A 25 -2.738 4.491 4.923 1.00 12.45 H new ATOM 0 HA LEU A 25 -0.051 5.623 5.185 1.00 72.14 H new ATOM 0 HB2 LEU A 25 -2.567 6.690 3.840 1.00 71.05 H new ATOM 0 HB3 LEU A 25 -0.958 7.370 3.693 1.00 71.05 H new ATOM 0 HG LEU A 25 -1.835 4.643 2.685 1.00 75.32 H new ATOM 0 HD11 LEU A 25 -1.501 5.640 0.449 1.00 22.40 H new ATOM 0 HD12 LEU A 25 -2.757 6.497 1.373 1.00 22.40 H new ATOM 0 HD13 LEU A 25 -1.133 7.206 1.209 1.00 22.40 H new ATOM 0 HD21 LEU A 25 0.378 4.537 1.612 1.00 11.41 H new ATOM 0 HD22 LEU A 25 0.837 6.056 2.418 1.00 11.41 H new ATOM 0 HD23 LEU A 25 0.503 4.600 3.386 1.00 11.41 H new ATOM 412 N ASN A 26 -2.554 6.523 6.999 1.00 75.23 N ATOM 413 CA ASN A 26 -3.068 7.380 8.070 1.00 30.33 C ATOM 414 C ASN A 26 -4.073 6.588 8.918 1.00 13.43 C ATOM 415 O ASN A 26 -4.582 5.562 8.469 1.00 12.04 O ATOM 416 CB ASN A 26 -3.737 8.627 7.460 1.00 73.33 C ATOM 417 CG ASN A 26 -4.311 9.573 8.500 1.00 54.42 C ATOM 418 OD1 ASN A 26 -3.805 9.683 9.606 1.00 31.13 O ATOM 419 ND2 ASN A 26 -5.384 10.261 8.152 1.00 24.40 N ATOM 0 H ASN A 26 -3.110 5.682 6.846 1.00 75.23 H new ATOM 0 HA ASN A 26 -2.247 7.705 8.709 1.00 30.33 H new ATOM 0 HB2 ASN A 26 -3.006 9.164 6.856 1.00 73.33 H new ATOM 0 HB3 ASN A 26 -4.535 8.310 6.788 1.00 73.33 H new ATOM 0 HD21 ASN A 26 -5.813 10.906 8.815 1.00 24.40 H new ATOM 0 HD22 ASN A 26 -5.783 10.147 7.220 1.00 24.40 H new ATOM 426 N GLU A 27 -4.363 7.059 10.127 1.00 42.02 N ATOM 427 CA GLU A 27 -5.312 6.374 11.019 1.00 22.15 C ATOM 428 C GLU A 27 -6.665 6.107 10.329 1.00 2.24 C ATOM 429 O GLU A 27 -7.295 5.073 10.549 1.00 73.31 O ATOM 430 CB GLU A 27 -5.531 7.208 12.289 1.00 72.21 C ATOM 431 CG GLU A 27 -6.543 6.607 13.261 1.00 14.41 C ATOM 432 CD GLU A 27 -6.770 7.479 14.484 1.00 72.11 C ATOM 433 OE1 GLU A 27 -7.512 8.477 14.380 1.00 13.22 O ATOM 434 OE2 GLU A 27 -6.208 7.173 15.556 1.00 3.42 O ATOM 0 H GLU A 27 -3.959 7.910 10.517 1.00 42.02 H new ATOM 0 HA GLU A 27 -4.879 5.409 11.280 1.00 22.15 H new ATOM 0 HB2 GLU A 27 -4.577 7.327 12.802 1.00 72.21 H new ATOM 0 HB3 GLU A 27 -5.866 8.205 12.003 1.00 72.21 H new ATOM 0 HG2 GLU A 27 -7.492 6.458 12.745 1.00 14.41 H new ATOM 0 HG3 GLU A 27 -6.195 5.624 13.580 1.00 14.41 H new ATOM 441 N GLN A 28 -7.103 7.046 9.493 1.00 30.32 N ATOM 442 CA GLN A 28 -8.383 6.919 8.779 1.00 2.25 C ATOM 443 C GLN A 28 -8.193 6.423 7.330 1.00 41.15 C ATOM 444 O GLN A 28 -9.134 6.442 6.535 1.00 33.22 O ATOM 445 CB GLN A 28 -9.099 8.277 8.769 1.00 24.30 C ATOM 446 CG GLN A 28 -9.382 8.848 10.156 1.00 54.23 C ATOM 447 CD GLN A 28 -10.364 8.008 10.956 1.00 35.44 C ATOM 448 OE1 GLN A 28 -9.859 7.060 11.721 1.00 31.23 O flip ATOM 449 NE2 GLN A 28 -11.572 8.215 10.888 1.00 21.22 N flip ATOM 0 H GLN A 28 -6.594 7.906 9.290 1.00 30.32 H new ATOM 0 HA GLN A 28 -8.985 6.177 9.304 1.00 2.25 H new ATOM 0 HB2 GLN A 28 -8.492 8.991 8.212 1.00 24.30 H new ATOM 0 HB3 GLN A 28 -10.042 8.173 8.232 1.00 24.30 H new ATOM 0 HG2 GLN A 28 -8.446 8.926 10.708 1.00 54.23 H new ATOM 0 HG3 GLN A 28 -9.777 9.859 10.053 1.00 54.23 H new ATOM 0 HE21 GLN A 28 -11.929 8.957 10.286 1.00 21.22 H new ATOM 0 HE22 GLN A 28 -12.219 7.645 11.434 1.00 21.22 H new ATOM 458 N VAL A 29 -6.984 5.964 6.997 1.00 63.13 N ATOM 459 CA VAL A 29 -6.651 5.583 5.614 1.00 21.23 C ATOM 460 C VAL A 29 -5.980 4.199 5.526 1.00 70.12 C ATOM 461 O VAL A 29 -4.899 3.980 6.076 1.00 53.02 O ATOM 462 CB VAL A 29 -5.711 6.625 4.962 1.00 0.51 C ATOM 463 CG1 VAL A 29 -5.257 6.157 3.579 1.00 31.23 C ATOM 464 CG2 VAL A 29 -6.390 7.992 4.875 1.00 54.12 C ATOM 0 H VAL A 29 -6.219 5.846 7.661 1.00 63.13 H new ATOM 0 HA VAL A 29 -7.600 5.544 5.079 1.00 21.23 H new ATOM 0 HB VAL A 29 -4.828 6.725 5.594 1.00 0.51 H new ATOM 0 HG11 VAL A 29 -4.597 6.905 3.140 1.00 31.23 H new ATOM 0 HG12 VAL A 29 -4.722 5.212 3.672 1.00 31.23 H new ATOM 0 HG13 VAL A 29 -6.127 6.020 2.937 1.00 31.23 H new ATOM 0 HG21 VAL A 29 -5.710 8.708 4.413 1.00 54.12 H new ATOM 0 HG22 VAL A 29 -7.295 7.911 4.273 1.00 54.12 H new ATOM 0 HG23 VAL A 29 -6.650 8.333 5.877 1.00 54.12 H new ATOM 474 N ARG A 30 -6.615 3.292 4.785 1.00 53.20 N ATOM 475 CA ARG A 30 -6.101 1.932 4.568 1.00 54.35 C ATOM 476 C ARG A 30 -5.997 1.620 3.061 1.00 53.24 C ATOM 477 O ARG A 30 -6.786 2.124 2.261 1.00 22.24 O ATOM 478 CB ARG A 30 -7.041 0.921 5.237 1.00 4.41 C ATOM 479 CG ARG A 30 -6.680 -0.543 4.986 1.00 13.20 C ATOM 480 CD ARG A 30 -7.901 -1.448 5.130 1.00 23.42 C ATOM 481 NE ARG A 30 -8.988 -1.026 4.237 1.00 21.02 N ATOM 482 CZ ARG A 30 -9.732 -1.836 3.534 1.00 11.14 C ATOM 483 NH1 ARG A 30 -9.583 -3.118 3.615 1.00 5.30 N ATOM 484 NH2 ARG A 30 -10.642 -1.359 2.747 1.00 21.14 N ATOM 0 H ARG A 30 -7.502 3.475 4.316 1.00 53.20 H new ATOM 0 HA ARG A 30 -5.105 1.861 5.006 1.00 54.35 H new ATOM 0 HB2 ARG A 30 -7.043 1.102 6.312 1.00 4.41 H new ATOM 0 HB3 ARG A 30 -8.056 1.098 4.882 1.00 4.41 H new ATOM 0 HG2 ARG A 30 -6.261 -0.650 3.985 1.00 13.20 H new ATOM 0 HG3 ARG A 30 -5.908 -0.855 5.690 1.00 13.20 H new ATOM 0 HD2 ARG A 30 -7.622 -2.477 4.905 1.00 23.42 H new ATOM 0 HD3 ARG A 30 -8.249 -1.431 6.163 1.00 23.42 H new ATOM 0 HE ARG A 30 -9.175 -0.026 4.161 1.00 21.02 H new ATOM 0 HH11 ARG A 30 -8.875 -3.511 4.236 1.00 5.30 H new ATOM 0 HH12 ARG A 30 -10.173 -3.736 3.058 1.00 5.30 H new ATOM 0 HH21 ARG A 30 -10.778 -0.351 2.676 1.00 21.14 H new ATOM 0 HH22 ARG A 30 -11.224 -1.992 2.197 1.00 21.14 H new ATOM 498 N GLY A 31 -5.028 0.789 2.679 1.00 11.21 N ATOM 499 CA GLY A 31 -4.892 0.386 1.278 1.00 63.34 C ATOM 500 C GLY A 31 -4.218 -0.974 1.104 1.00 50.34 C ATOM 501 O GLY A 31 -4.011 -1.705 2.072 1.00 20.14 O ATOM 0 H GLY A 31 -4.334 0.386 3.309 1.00 11.21 H new ATOM 0 HA2 GLY A 31 -5.880 0.356 0.818 1.00 63.34 H new ATOM 0 HA3 GLY A 31 -4.315 1.141 0.744 1.00 63.34 H new ATOM 505 N LEU A 32 -3.866 -1.306 -0.139 1.00 72.12 N ATOM 506 CA LEU A 32 -3.258 -2.603 -0.465 1.00 51.31 C ATOM 507 C LEU A 32 -2.057 -2.435 -1.413 1.00 12.20 C ATOM 508 O LEU A 32 -2.118 -1.681 -2.382 1.00 53.31 O ATOM 509 CB LEU A 32 -4.306 -3.529 -1.109 1.00 2.30 C ATOM 510 CG LEU A 32 -3.806 -4.934 -1.500 1.00 12.11 C ATOM 511 CD1 LEU A 32 -3.314 -5.697 -0.273 1.00 13.12 C ATOM 512 CD2 LEU A 32 -4.904 -5.718 -2.217 1.00 51.34 C ATOM 0 H LEU A 32 -3.992 -0.692 -0.944 1.00 72.12 H new ATOM 0 HA LEU A 32 -2.899 -3.049 0.463 1.00 51.31 H new ATOM 0 HB2 LEU A 32 -5.140 -3.640 -0.416 1.00 2.30 H new ATOM 0 HB3 LEU A 32 -4.696 -3.041 -2.002 1.00 2.30 H new ATOM 0 HG LEU A 32 -2.967 -4.816 -2.185 1.00 12.11 H new ATOM 0 HD11 LEU A 32 -2.966 -6.685 -0.574 1.00 13.12 H new ATOM 0 HD12 LEU A 32 -2.494 -5.150 0.191 1.00 13.12 H new ATOM 0 HD13 LEU A 32 -4.130 -5.802 0.442 1.00 13.12 H new ATOM 0 HD21 LEU A 32 -4.530 -6.706 -2.484 1.00 51.34 H new ATOM 0 HD22 LEU A 32 -5.766 -5.822 -1.558 1.00 51.34 H new ATOM 0 HD23 LEU A 32 -5.200 -5.186 -3.121 1.00 51.34 H new ATOM 524 N LEU A 33 -0.967 -3.137 -1.117 1.00 71.24 N ATOM 525 CA LEU A 33 0.240 -3.113 -1.952 1.00 11.24 C ATOM 526 C LEU A 33 0.526 -4.509 -2.527 1.00 64.13 C ATOM 527 O LEU A 33 0.859 -5.436 -1.792 1.00 60.31 O ATOM 528 CB LEU A 33 1.434 -2.627 -1.117 1.00 0.42 C ATOM 529 CG LEU A 33 2.792 -2.608 -1.838 1.00 73.21 C ATOM 530 CD1 LEU A 33 2.762 -1.665 -3.038 1.00 52.11 C ATOM 531 CD2 LEU A 33 3.904 -2.215 -0.868 1.00 51.43 C ATOM 0 H LEU A 33 -0.891 -3.738 -0.296 1.00 71.24 H new ATOM 0 HA LEU A 33 0.081 -2.427 -2.784 1.00 11.24 H new ATOM 0 HB2 LEU A 33 1.218 -1.619 -0.762 1.00 0.42 H new ATOM 0 HB3 LEU A 33 1.520 -3.264 -0.236 1.00 0.42 H new ATOM 0 HG LEU A 33 2.995 -3.613 -2.208 1.00 73.21 H new ATOM 0 HD11 LEU A 33 3.735 -1.671 -3.530 1.00 52.11 H new ATOM 0 HD12 LEU A 33 1.998 -1.996 -3.742 1.00 52.11 H new ATOM 0 HD13 LEU A 33 2.532 -0.654 -2.701 1.00 52.11 H new ATOM 0 HD21 LEU A 33 4.859 -2.206 -1.394 1.00 51.43 H new ATOM 0 HD22 LEU A 33 3.702 -1.222 -0.466 1.00 51.43 H new ATOM 0 HD23 LEU A 33 3.946 -2.936 -0.051 1.00 51.43 H new ATOM 543 N ARG A 34 0.406 -4.659 -3.841 1.00 52.23 N ATOM 544 CA ARG A 34 0.572 -5.966 -4.487 1.00 15.22 C ATOM 545 C ARG A 34 2.012 -6.183 -4.979 1.00 0.14 C ATOM 546 O ARG A 34 2.670 -5.247 -5.433 1.00 34.25 O ATOM 547 CB ARG A 34 -0.414 -6.092 -5.652 1.00 61.35 C ATOM 548 CG ARG A 34 -1.863 -5.862 -5.237 1.00 31.33 C ATOM 549 CD ARG A 34 -2.821 -5.941 -6.419 1.00 65.32 C ATOM 550 NE ARG A 34 -4.189 -5.610 -6.021 1.00 2.53 N ATOM 551 CZ ARG A 34 -5.256 -6.002 -6.656 1.00 13.10 C ATOM 552 NH1 ARG A 34 -5.159 -6.715 -7.729 1.00 63.25 N ATOM 553 NH2 ARG A 34 -6.425 -5.666 -6.221 1.00 22.34 N ATOM 0 H ARG A 34 0.195 -3.896 -4.484 1.00 52.23 H new ATOM 0 HA ARG A 34 0.364 -6.738 -3.746 1.00 15.22 H new ATOM 0 HB2 ARG A 34 -0.146 -5.373 -6.426 1.00 61.35 H new ATOM 0 HB3 ARG A 34 -0.322 -7.085 -6.092 1.00 61.35 H new ATOM 0 HG2 ARG A 34 -2.147 -6.604 -4.491 1.00 31.33 H new ATOM 0 HG3 ARG A 34 -1.953 -4.884 -4.764 1.00 31.33 H new ATOM 0 HD2 ARG A 34 -2.493 -5.257 -7.202 1.00 65.32 H new ATOM 0 HD3 ARG A 34 -2.797 -6.945 -6.842 1.00 65.32 H new ATOM 0 HE ARG A 34 -4.316 -5.033 -5.190 1.00 2.53 H new ATOM 0 HH11 ARG A 34 -4.240 -6.976 -8.086 1.00 63.25 H new ATOM 0 HH12 ARG A 34 -6.001 -7.017 -8.219 1.00 63.25 H new ATOM 0 HH21 ARG A 34 -6.512 -5.094 -5.381 1.00 22.34 H new ATOM 0 HH22 ARG A 34 -7.261 -5.973 -6.718 1.00 22.34 H new ATOM 567 N PRO A 35 2.518 -7.436 -4.923 1.00 20.23 N ATOM 568 CA PRO A 35 3.910 -7.748 -5.304 1.00 64.24 C ATOM 569 C PRO A 35 4.201 -7.455 -6.782 1.00 20.42 C ATOM 570 O PRO A 35 5.342 -7.203 -7.167 1.00 20.00 O ATOM 571 CB PRO A 35 4.030 -9.255 -5.012 1.00 31.12 C ATOM 572 CG PRO A 35 2.627 -9.764 -5.049 1.00 53.45 C ATOM 573 CD PRO A 35 1.776 -8.644 -4.510 1.00 24.24 C ATOM 0 HA PRO A 35 4.627 -7.136 -4.757 1.00 64.24 H new ATOM 0 HB2 PRO A 35 4.651 -9.754 -5.756 1.00 31.12 H new ATOM 0 HB3 PRO A 35 4.490 -9.434 -4.040 1.00 31.12 H new ATOM 0 HG2 PRO A 35 2.332 -10.027 -6.065 1.00 53.45 H new ATOM 0 HG3 PRO A 35 2.520 -10.664 -4.443 1.00 53.45 H new ATOM 0 HD2 PRO A 35 0.770 -8.663 -4.930 1.00 24.24 H new ATOM 0 HD3 PRO A 35 1.671 -8.702 -3.427 1.00 24.24 H new ATOM 581 N ARG A 36 3.149 -7.471 -7.597 1.00 10.44 N ATOM 582 CA ARG A 36 3.267 -7.208 -9.033 1.00 60.13 C ATOM 583 C ARG A 36 3.379 -5.700 -9.314 1.00 60.34 C ATOM 584 O ARG A 36 3.659 -5.285 -10.440 1.00 24.21 O ATOM 585 CB ARG A 36 2.063 -7.822 -9.761 1.00 0.11 C ATOM 586 CG ARG A 36 1.888 -9.308 -9.453 1.00 63.12 C ATOM 587 CD ARG A 36 0.662 -9.915 -10.124 1.00 41.43 C ATOM 588 NE ARG A 36 0.496 -11.320 -9.754 1.00 10.20 N ATOM 589 CZ ARG A 36 -0.429 -12.111 -10.223 1.00 1.02 C ATOM 590 NH1 ARG A 36 -1.290 -11.683 -11.090 1.00 50.23 N ATOM 591 NH2 ARG A 36 -0.487 -13.335 -9.820 1.00 14.33 N ATOM 0 H ARG A 36 2.197 -7.665 -7.286 1.00 10.44 H new ATOM 0 HA ARG A 36 4.181 -7.671 -9.406 1.00 60.13 H new ATOM 0 HB2 ARG A 36 1.158 -7.286 -9.475 1.00 0.11 H new ATOM 0 HB3 ARG A 36 2.186 -7.689 -10.836 1.00 0.11 H new ATOM 0 HG2 ARG A 36 2.778 -9.848 -9.778 1.00 63.12 H new ATOM 0 HG3 ARG A 36 1.809 -9.443 -8.374 1.00 63.12 H new ATOM 0 HD2 ARG A 36 -0.227 -9.354 -9.838 1.00 41.43 H new ATOM 0 HD3 ARG A 36 0.758 -9.830 -11.206 1.00 41.43 H new ATOM 0 HE ARG A 36 1.153 -11.711 -9.078 1.00 10.20 H new ATOM 0 HH11 ARG A 36 -1.250 -10.717 -11.414 1.00 50.23 H new ATOM 0 HH12 ARG A 36 -2.008 -12.312 -11.449 1.00 50.23 H new ATOM 0 HH21 ARG A 36 0.188 -13.680 -9.138 1.00 14.33 H new ATOM 0 HH22 ARG A 36 -1.208 -13.958 -10.183 1.00 14.33 H new ATOM 605 N ASP A 37 3.156 -4.888 -8.279 1.00 24.32 N ATOM 606 CA ASP A 37 3.366 -3.439 -8.357 1.00 3.42 C ATOM 607 C ASP A 37 4.643 -3.032 -7.594 1.00 71.21 C ATOM 608 O ASP A 37 4.929 -1.847 -7.414 1.00 4.03 O ATOM 609 CB ASP A 37 2.152 -2.700 -7.780 1.00 21.22 C ATOM 610 CG ASP A 37 0.863 -3.051 -8.504 1.00 1.23 C ATOM 611 OD1 ASP A 37 0.723 -2.688 -9.688 1.00 42.30 O ATOM 612 OD2 ASP A 37 -0.018 -3.695 -7.894 1.00 1.15 O ATOM 0 H ASP A 37 2.827 -5.212 -7.369 1.00 24.32 H new ATOM 0 HA ASP A 37 3.487 -3.164 -9.405 1.00 3.42 H new ATOM 0 HB2 ASP A 37 2.050 -2.945 -6.723 1.00 21.22 H new ATOM 0 HB3 ASP A 37 2.320 -1.625 -7.844 1.00 21.22 H new ATOM 617 N MET A 38 5.411 -4.030 -7.153 1.00 71.34 N ATOM 618 CA MET A 38 6.636 -3.798 -6.376 1.00 40.14 C ATOM 619 C MET A 38 7.897 -3.988 -7.233 1.00 54.13 C ATOM 620 O MET A 38 8.077 -5.028 -7.870 1.00 1.42 O ATOM 621 CB MET A 38 6.678 -4.750 -5.175 1.00 52.14 C ATOM 622 CG MET A 38 5.581 -4.486 -4.156 1.00 3.11 C ATOM 623 SD MET A 38 5.740 -2.869 -3.379 1.00 32.32 S ATOM 624 CE MET A 38 7.202 -3.115 -2.377 1.00 12.34 C ATOM 0 H MET A 38 5.206 -5.015 -7.321 1.00 71.34 H new ATOM 0 HA MET A 38 6.620 -2.765 -6.029 1.00 40.14 H new ATOM 0 HB2 MET A 38 6.593 -5.777 -5.531 1.00 52.14 H new ATOM 0 HB3 MET A 38 7.648 -4.662 -4.685 1.00 52.14 H new ATOM 0 HG2 MET A 38 4.610 -4.557 -4.645 1.00 3.11 H new ATOM 0 HG3 MET A 38 5.608 -5.259 -3.388 1.00 3.11 H new ATOM 0 HE1 MET A 38 7.074 -2.613 -1.418 1.00 12.34 H new ATOM 0 HE2 MET A 38 7.354 -4.182 -2.211 1.00 12.34 H new ATOM 0 HE3 MET A 38 8.069 -2.700 -2.891 1.00 12.34 H new ATOM 634 N ILE A 39 8.777 -2.987 -7.224 1.00 62.12 N ATOM 635 CA ILE A 39 10.009 -3.027 -8.019 1.00 64.11 C ATOM 636 C ILE A 39 10.946 -4.165 -7.570 1.00 2.44 C ATOM 637 O ILE A 39 11.098 -5.168 -8.270 1.00 72.31 O ATOM 638 CB ILE A 39 10.772 -1.677 -7.949 1.00 52.05 C ATOM 639 CG1 ILE A 39 9.854 -0.509 -8.356 1.00 23.41 C ATOM 640 CG2 ILE A 39 12.016 -1.717 -8.841 1.00 41.14 C ATOM 641 CD1 ILE A 39 9.354 -0.582 -9.784 1.00 42.22 C ATOM 0 H ILE A 39 8.661 -2.136 -6.674 1.00 62.12 H new ATOM 0 HA ILE A 39 9.705 -3.213 -9.049 1.00 64.11 H new ATOM 0 HB ILE A 39 11.090 -1.518 -6.919 1.00 52.05 H new ATOM 0 HG12 ILE A 39 8.997 -0.484 -7.683 1.00 23.41 H new ATOM 0 HG13 ILE A 39 10.394 0.428 -8.219 1.00 23.41 H new ATOM 0 HG21 ILE A 39 12.539 -0.762 -8.780 1.00 41.14 H new ATOM 0 HG22 ILE A 39 12.678 -2.515 -8.506 1.00 41.14 H new ATOM 0 HG23 ILE A 39 11.718 -1.902 -9.873 1.00 41.14 H new ATOM 0 HD11 ILE A 39 8.715 0.277 -9.990 1.00 42.22 H new ATOM 0 HD12 ILE A 39 10.203 -0.575 -10.468 1.00 42.22 H new ATOM 0 HD13 ILE A 39 8.784 -1.500 -9.923 1.00 42.22 H new ATOM 653 N SER A 40 11.570 -4.016 -6.396 1.00 60.21 N ATOM 654 CA SER A 40 12.540 -5.015 -5.902 1.00 73.54 C ATOM 655 C SER A 40 12.102 -5.657 -4.573 1.00 52.52 C ATOM 656 O SER A 40 12.473 -6.794 -4.276 1.00 41.31 O ATOM 657 CB SER A 40 13.928 -4.380 -5.729 1.00 54.32 C ATOM 658 OG SER A 40 14.899 -5.357 -5.384 1.00 31.24 O ATOM 0 H SER A 40 11.426 -3.223 -5.771 1.00 60.21 H new ATOM 0 HA SER A 40 12.584 -5.803 -6.654 1.00 73.54 H new ATOM 0 HB2 SER A 40 14.221 -3.882 -6.653 1.00 54.32 H new ATOM 0 HB3 SER A 40 13.887 -3.615 -4.954 1.00 54.32 H new ATOM 0 HG SER A 40 15.774 -4.927 -5.281 1.00 31.24 H new ATOM 664 N LEU A 41 11.304 -4.944 -3.777 1.00 62.42 N ATOM 665 CA LEU A 41 10.848 -5.466 -2.480 1.00 32.25 C ATOM 666 C LEU A 41 9.699 -6.473 -2.651 1.00 61.12 C ATOM 667 O LEU A 41 8.637 -6.140 -3.177 1.00 72.12 O ATOM 668 CB LEU A 41 10.391 -4.318 -1.562 1.00 70.10 C ATOM 669 CG LEU A 41 11.495 -3.366 -1.071 1.00 34.33 C ATOM 670 CD1 LEU A 41 10.905 -2.254 -0.204 1.00 5.52 C ATOM 671 CD2 LEU A 41 12.568 -4.135 -0.301 1.00 1.54 C ATOM 0 H LEU A 41 10.960 -4.010 -4.002 1.00 62.42 H new ATOM 0 HA LEU A 41 11.694 -5.980 -2.023 1.00 32.25 H new ATOM 0 HB2 LEU A 41 9.642 -3.731 -2.094 1.00 70.10 H new ATOM 0 HB3 LEU A 41 9.898 -4.750 -0.691 1.00 70.10 H new ATOM 0 HG LEU A 41 11.961 -2.908 -1.944 1.00 34.33 H new ATOM 0 HD11 LEU A 41 11.703 -1.593 0.132 1.00 5.52 H new ATOM 0 HD12 LEU A 41 10.182 -1.683 -0.787 1.00 5.52 H new ATOM 0 HD13 LEU A 41 10.408 -2.692 0.662 1.00 5.52 H new ATOM 0 HD21 LEU A 41 13.339 -3.443 0.037 1.00 1.54 H new ATOM 0 HD22 LEU A 41 12.116 -4.625 0.562 1.00 1.54 H new ATOM 0 HD23 LEU A 41 13.015 -4.886 -0.952 1.00 1.54 H new ATOM 683 N ARG A 42 9.922 -7.708 -2.207 1.00 43.43 N ATOM 684 CA ARG A 42 8.897 -8.759 -2.280 1.00 41.34 C ATOM 685 C ARG A 42 8.188 -8.934 -0.928 1.00 22.33 C ATOM 686 O ARG A 42 8.760 -8.646 0.123 1.00 41.41 O ATOM 687 CB ARG A 42 9.530 -10.092 -2.709 1.00 15.32 C ATOM 688 CG ARG A 42 10.341 -10.017 -4.002 1.00 1.34 C ATOM 689 CD ARG A 42 9.506 -9.528 -5.184 1.00 13.40 C ATOM 690 NE ARG A 42 10.265 -9.574 -6.433 1.00 72.13 N ATOM 691 CZ ARG A 42 10.229 -8.655 -7.360 1.00 64.10 C ATOM 692 NH1 ARG A 42 9.480 -7.602 -7.236 1.00 42.23 N ATOM 693 NH2 ARG A 42 10.953 -8.803 -8.419 1.00 54.23 N ATOM 0 H ARG A 42 10.803 -8.011 -1.792 1.00 43.43 H new ATOM 0 HA ARG A 42 8.158 -8.455 -3.022 1.00 41.34 H new ATOM 0 HB2 ARG A 42 10.178 -10.447 -1.908 1.00 15.32 H new ATOM 0 HB3 ARG A 42 8.740 -10.833 -2.832 1.00 15.32 H new ATOM 0 HG2 ARG A 42 11.189 -9.348 -3.858 1.00 1.34 H new ATOM 0 HG3 ARG A 42 10.748 -11.002 -4.231 1.00 1.34 H new ATOM 0 HD2 ARG A 42 8.611 -10.144 -5.278 1.00 13.40 H new ATOM 0 HD3 ARG A 42 9.172 -8.507 -4.997 1.00 13.40 H new ATOM 0 HE ARG A 42 10.866 -10.383 -6.592 1.00 72.13 H new ATOM 0 HH11 ARG A 42 8.905 -7.481 -6.402 1.00 42.23 H new ATOM 0 HH12 ARG A 42 9.467 -6.896 -7.972 1.00 42.23 H new ATOM 0 HH21 ARG A 42 11.542 -9.629 -8.523 1.00 54.23 H new ATOM 0 HH22 ARG A 42 10.936 -8.094 -9.152 1.00 54.23 H new ATOM 707 N LEU A 43 6.948 -9.426 -0.962 1.00 12.43 N ATOM 708 CA LEU A 43 6.162 -9.656 0.265 1.00 33.22 C ATOM 709 C LEU A 43 6.908 -10.562 1.259 1.00 42.30 C ATOM 710 O LEU A 43 6.717 -10.461 2.469 1.00 44.13 O ATOM 711 CB LEU A 43 4.802 -10.284 -0.078 1.00 53.43 C ATOM 712 CG LEU A 43 3.892 -9.453 -0.997 1.00 23.00 C ATOM 713 CD1 LEU A 43 2.575 -10.185 -1.242 1.00 43.35 C ATOM 714 CD2 LEU A 43 3.640 -8.066 -0.409 1.00 30.32 C ATOM 0 H LEU A 43 6.461 -9.675 -1.823 1.00 12.43 H new ATOM 0 HA LEU A 43 6.009 -8.685 0.736 1.00 33.22 H new ATOM 0 HB2 LEU A 43 4.978 -11.250 -0.551 1.00 53.43 H new ATOM 0 HB3 LEU A 43 4.268 -10.477 0.852 1.00 53.43 H new ATOM 0 HG LEU A 43 4.399 -9.323 -1.953 1.00 23.00 H new ATOM 0 HD11 LEU A 43 1.941 -9.585 -1.894 1.00 43.35 H new ATOM 0 HD12 LEU A 43 2.776 -11.146 -1.715 1.00 43.35 H new ATOM 0 HD13 LEU A 43 2.067 -10.348 -0.292 1.00 43.35 H new ATOM 0 HD21 LEU A 43 2.994 -7.499 -1.079 1.00 30.32 H new ATOM 0 HD22 LEU A 43 3.157 -8.165 0.563 1.00 30.32 H new ATOM 0 HD23 LEU A 43 4.589 -7.543 -0.291 1.00 30.32 H new ATOM 726 N GLU A 44 7.763 -11.440 0.736 1.00 32.11 N ATOM 727 CA GLU A 44 8.552 -12.359 1.571 1.00 14.54 C ATOM 728 C GLU A 44 9.485 -11.602 2.530 1.00 43.01 C ATOM 729 O GLU A 44 9.862 -12.113 3.584 1.00 31.54 O ATOM 730 CB GLU A 44 9.392 -13.281 0.681 1.00 71.13 C ATOM 731 CG GLU A 44 8.603 -13.964 -0.429 1.00 65.14 C ATOM 732 CD GLU A 44 9.480 -14.843 -1.309 1.00 13.02 C ATOM 733 OE1 GLU A 44 10.550 -14.369 -1.749 1.00 61.02 O ATOM 734 OE2 GLU A 44 9.102 -16.006 -1.570 1.00 41.21 O ATOM 0 H GLU A 44 7.931 -11.538 -0.265 1.00 32.11 H new ATOM 0 HA GLU A 44 7.850 -12.943 2.166 1.00 14.54 H new ATOM 0 HB2 GLU A 44 10.199 -12.700 0.234 1.00 71.13 H new ATOM 0 HB3 GLU A 44 9.857 -14.045 1.304 1.00 71.13 H new ATOM 0 HG2 GLU A 44 7.812 -14.571 0.012 1.00 65.14 H new ATOM 0 HG3 GLU A 44 8.118 -13.207 -1.045 1.00 65.14 H new ATOM 741 N ASN A 45 9.858 -10.382 2.152 1.00 15.41 N ATOM 742 CA ASN A 45 10.822 -9.596 2.928 1.00 52.34 C ATOM 743 C ASN A 45 10.122 -8.567 3.834 1.00 64.21 C ATOM 744 O ASN A 45 10.657 -8.170 4.867 1.00 44.45 O ATOM 745 CB ASN A 45 11.789 -8.881 1.978 1.00 11.23 C ATOM 746 CG ASN A 45 12.375 -9.822 0.939 1.00 52.41 C ATOM 747 OD1 ASN A 45 12.518 -11.018 1.170 1.00 45.22 O ATOM 748 ND2 ASN A 45 12.749 -9.287 -0.206 1.00 51.43 N ATOM 0 H ASN A 45 9.510 -9.914 1.315 1.00 15.41 H new ATOM 0 HA ASN A 45 11.374 -10.282 3.571 1.00 52.34 H new ATOM 0 HB2 ASN A 45 11.266 -8.068 1.475 1.00 11.23 H new ATOM 0 HB3 ASN A 45 12.597 -8.432 2.555 1.00 11.23 H new ATOM 0 HD21 ASN A 45 13.170 -9.871 -0.928 1.00 51.43 H new ATOM 0 HD22 ASN A 45 12.617 -8.289 -0.370 1.00 51.43 H new ATOM 755 N LEU A 46 8.919 -8.152 3.445 1.00 21.05 N ATOM 756 CA LEU A 46 8.183 -7.108 4.169 1.00 62.14 C ATOM 757 C LEU A 46 7.582 -7.643 5.482 1.00 22.20 C ATOM 758 O LEU A 46 6.845 -8.631 5.485 1.00 55.01 O ATOM 759 CB LEU A 46 7.070 -6.536 3.276 1.00 61.42 C ATOM 760 CG LEU A 46 7.514 -6.102 1.864 1.00 43.13 C ATOM 761 CD1 LEU A 46 6.350 -5.485 1.089 1.00 70.00 C ATOM 762 CD2 LEU A 46 8.699 -5.135 1.936 1.00 71.21 C ATOM 0 H LEU A 46 8.428 -8.521 2.631 1.00 21.05 H new ATOM 0 HA LEU A 46 8.889 -6.318 4.424 1.00 62.14 H new ATOM 0 HB2 LEU A 46 6.285 -7.286 3.177 1.00 61.42 H new ATOM 0 HB3 LEU A 46 6.628 -5.676 3.780 1.00 61.42 H new ATOM 0 HG LEU A 46 7.839 -6.992 1.326 1.00 43.13 H new ATOM 0 HD11 LEU A 46 6.690 -5.188 0.097 1.00 70.00 H new ATOM 0 HD12 LEU A 46 5.548 -6.217 0.993 1.00 70.00 H new ATOM 0 HD13 LEU A 46 5.980 -4.610 1.623 1.00 70.00 H new ATOM 0 HD21 LEU A 46 8.993 -4.844 0.928 1.00 71.21 H new ATOM 0 HD22 LEU A 46 8.411 -4.248 2.500 1.00 71.21 H new ATOM 0 HD23 LEU A 46 9.538 -5.624 2.432 1.00 71.21 H new ATOM 774 N ASN A 47 7.915 -6.993 6.597 1.00 0.23 N ATOM 775 CA ASN A 47 7.379 -7.368 7.913 1.00 20.35 C ATOM 776 C ASN A 47 6.321 -6.359 8.390 1.00 4.53 C ATOM 777 O ASN A 47 6.228 -5.237 7.880 1.00 51.01 O ATOM 778 CB ASN A 47 8.505 -7.452 8.962 1.00 22.54 C ATOM 779 CG ASN A 47 9.468 -8.612 8.744 1.00 1.14 C ATOM 780 OD1 ASN A 47 9.762 -8.937 7.503 1.00 11.31 O flip ATOM 781 ND2 ASN A 47 9.976 -9.194 9.698 1.00 2.41 N flip ATOM 0 H ASN A 47 8.556 -6.200 6.619 1.00 0.23 H new ATOM 0 HA ASN A 47 6.913 -8.347 7.804 1.00 20.35 H new ATOM 0 HB2 ASN A 47 9.068 -6.519 8.952 1.00 22.54 H new ATOM 0 HB3 ASN A 47 8.059 -7.544 9.952 1.00 22.54 H new ATOM 0 HD21 ASN A 47 9.731 -8.923 10.650 1.00 2.41 H new ATOM 0 HD22 ASN A 47 10.643 -9.949 9.538 1.00 2.41 H new ATOM 788 N VAL A 48 5.531 -6.760 9.380 1.00 2.31 N ATOM 789 CA VAL A 48 4.538 -5.870 9.987 1.00 32.42 C ATOM 790 C VAL A 48 5.233 -4.728 10.747 1.00 42.04 C ATOM 791 O VAL A 48 5.925 -4.962 11.740 1.00 25.45 O ATOM 792 CB VAL A 48 3.606 -6.641 10.958 1.00 70.50 C ATOM 793 CG1 VAL A 48 2.577 -5.706 11.596 1.00 74.32 C ATOM 794 CG2 VAL A 48 2.917 -7.799 10.236 1.00 5.23 C ATOM 0 H VAL A 48 5.556 -7.697 9.782 1.00 2.31 H new ATOM 0 HA VAL A 48 3.933 -5.456 9.180 1.00 32.42 H new ATOM 0 HB VAL A 48 4.220 -7.053 11.759 1.00 70.50 H new ATOM 0 HG11 VAL A 48 1.938 -6.275 12.271 1.00 74.32 H new ATOM 0 HG12 VAL A 48 3.092 -4.925 12.155 1.00 74.32 H new ATOM 0 HG13 VAL A 48 1.966 -5.251 10.816 1.00 74.32 H new ATOM 0 HG21 VAL A 48 2.268 -8.328 10.934 1.00 5.23 H new ATOM 0 HG22 VAL A 48 2.322 -7.410 9.410 1.00 5.23 H new ATOM 0 HG23 VAL A 48 3.670 -8.486 9.849 1.00 5.23 H new ATOM 804 N GLY A 49 5.047 -3.496 10.275 1.00 72.11 N ATOM 805 CA GLY A 49 5.689 -2.341 10.904 1.00 61.01 C ATOM 806 C GLY A 49 6.687 -1.609 10.003 1.00 14.44 C ATOM 807 O GLY A 49 7.225 -0.570 10.390 1.00 40.24 O ATOM 0 H GLY A 49 4.464 -3.272 9.468 1.00 72.11 H new ATOM 0 HA2 GLY A 49 4.918 -1.638 11.219 1.00 61.01 H new ATOM 0 HA3 GLY A 49 6.205 -2.673 11.805 1.00 61.01 H new ATOM 811 N ASP A 50 6.948 -2.142 8.809 1.00 50.41 N ATOM 812 CA ASP A 50 7.817 -1.461 7.839 1.00 22.35 C ATOM 813 C ASP A 50 7.115 -0.244 7.211 1.00 10.42 C ATOM 814 O ASP A 50 6.027 -0.363 6.643 1.00 22.20 O ATOM 815 CB ASP A 50 8.273 -2.436 6.742 1.00 73.31 C ATOM 816 CG ASP A 50 9.398 -3.342 7.209 1.00 43.43 C ATOM 817 OD1 ASP A 50 10.524 -2.837 7.401 1.00 75.45 O ATOM 818 OD2 ASP A 50 9.172 -4.551 7.396 1.00 73.55 O ATOM 0 H ASP A 50 6.575 -3.036 8.489 1.00 50.41 H new ATOM 0 HA ASP A 50 8.694 -1.103 8.378 1.00 22.35 H new ATOM 0 HB2 ASP A 50 7.426 -3.045 6.425 1.00 73.31 H new ATOM 0 HB3 ASP A 50 8.603 -1.871 5.870 1.00 73.31 H new ATOM 823 N GLU A 51 7.744 0.927 7.330 1.00 51.45 N ATOM 824 CA GLU A 51 7.224 2.159 6.725 1.00 42.43 C ATOM 825 C GLU A 51 7.774 2.343 5.301 1.00 13.23 C ATOM 826 O GLU A 51 8.924 2.753 5.111 1.00 31.35 O ATOM 827 CB GLU A 51 7.585 3.379 7.590 1.00 63.40 C ATOM 828 CG GLU A 51 6.883 3.411 8.944 1.00 71.42 C ATOM 829 CD GLU A 51 7.283 4.617 9.784 1.00 20.14 C ATOM 830 OE1 GLU A 51 7.142 5.761 9.301 1.00 51.42 O ATOM 831 OE2 GLU A 51 7.766 4.428 10.923 1.00 13.14 O ATOM 0 H GLU A 51 8.618 1.050 7.842 1.00 51.45 H new ATOM 0 HA GLU A 51 6.139 2.075 6.670 1.00 42.43 H new ATOM 0 HB2 GLU A 51 8.663 3.391 7.751 1.00 63.40 H new ATOM 0 HB3 GLU A 51 7.335 4.287 7.041 1.00 63.40 H new ATOM 0 HG2 GLU A 51 5.804 3.423 8.789 1.00 71.42 H new ATOM 0 HG3 GLU A 51 7.117 2.498 9.492 1.00 71.42 H new ATOM 838 N ILE A 52 6.945 2.041 4.308 1.00 23.43 N ATOM 839 CA ILE A 52 7.365 2.072 2.900 1.00 4.53 C ATOM 840 C ILE A 52 6.748 3.263 2.140 1.00 14.04 C ATOM 841 O ILE A 52 5.597 3.643 2.374 1.00 42.30 O ATOM 842 CB ILE A 52 6.978 0.750 2.185 1.00 5.53 C ATOM 843 CG1 ILE A 52 7.592 -0.455 2.923 1.00 24.24 C ATOM 844 CG2 ILE A 52 7.422 0.767 0.722 1.00 61.42 C ATOM 845 CD1 ILE A 52 7.280 -1.795 2.286 1.00 33.14 C ATOM 0 H ILE A 52 5.972 1.770 4.447 1.00 23.43 H new ATOM 0 HA ILE A 52 8.449 2.188 2.895 1.00 4.53 H new ATOM 0 HB ILE A 52 5.892 0.656 2.205 1.00 5.53 H new ATOM 0 HG12 ILE A 52 8.674 -0.328 2.966 1.00 24.24 H new ATOM 0 HG13 ILE A 52 7.230 -0.461 3.951 1.00 24.24 H new ATOM 0 HG21 ILE A 52 7.138 -0.171 0.245 1.00 61.42 H new ATOM 0 HG22 ILE A 52 6.940 1.597 0.205 1.00 61.42 H new ATOM 0 HG23 ILE A 52 8.504 0.887 0.672 1.00 61.42 H new ATOM 0 HD11 ILE A 52 7.748 -2.591 2.865 1.00 33.14 H new ATOM 0 HD12 ILE A 52 6.201 -1.946 2.267 1.00 33.14 H new ATOM 0 HD13 ILE A 52 7.667 -1.812 1.267 1.00 33.14 H new ATOM 857 N ILE A 53 7.532 3.856 1.237 1.00 20.44 N ATOM 858 CA ILE A 53 7.058 4.954 0.386 1.00 53.11 C ATOM 859 C ILE A 53 6.410 4.408 -0.895 1.00 53.24 C ATOM 860 O ILE A 53 7.091 3.871 -1.771 1.00 12.10 O ATOM 861 CB ILE A 53 8.214 5.912 0.004 1.00 60.11 C ATOM 862 CG1 ILE A 53 8.895 6.456 1.270 1.00 13.53 C ATOM 863 CG2 ILE A 53 7.699 7.061 -0.867 1.00 20.32 C ATOM 864 CD1 ILE A 53 10.082 7.356 0.993 1.00 42.02 C ATOM 0 H ILE A 53 8.504 3.593 1.074 1.00 20.44 H new ATOM 0 HA ILE A 53 6.316 5.510 0.960 1.00 53.11 H new ATOM 0 HB ILE A 53 8.950 5.353 -0.573 1.00 60.11 H new ATOM 0 HG12 ILE A 53 8.161 7.010 1.856 1.00 13.53 H new ATOM 0 HG13 ILE A 53 9.224 5.617 1.883 1.00 13.53 H new ATOM 0 HG21 ILE A 53 8.527 7.722 -1.124 1.00 20.32 H new ATOM 0 HG22 ILE A 53 7.260 6.657 -1.779 1.00 20.32 H new ATOM 0 HG23 ILE A 53 6.943 7.623 -0.318 1.00 20.32 H new ATOM 0 HD11 ILE A 53 10.507 7.698 1.937 1.00 42.02 H new ATOM 0 HD12 ILE A 53 10.837 6.802 0.435 1.00 42.02 H new ATOM 0 HD13 ILE A 53 9.757 8.216 0.408 1.00 42.02 H new ATOM 876 N VAL A 54 5.093 4.549 -1.000 1.00 51.24 N ATOM 877 CA VAL A 54 4.339 3.988 -2.127 1.00 10.03 C ATOM 878 C VAL A 54 3.445 5.037 -2.806 1.00 22.04 C ATOM 879 O VAL A 54 3.004 6.004 -2.182 1.00 42.43 O ATOM 880 CB VAL A 54 3.457 2.793 -1.679 1.00 62.35 C ATOM 881 CG1 VAL A 54 4.325 1.614 -1.237 1.00 40.43 C ATOM 882 CG2 VAL A 54 2.502 3.215 -0.561 1.00 75.20 C ATOM 0 H VAL A 54 4.520 5.047 -0.319 1.00 51.24 H new ATOM 0 HA VAL A 54 5.083 3.644 -2.845 1.00 10.03 H new ATOM 0 HB VAL A 54 2.860 2.472 -2.532 1.00 62.35 H new ATOM 0 HG11 VAL A 54 3.686 0.787 -0.927 1.00 40.43 H new ATOM 0 HG12 VAL A 54 4.955 1.294 -2.067 1.00 40.43 H new ATOM 0 HG13 VAL A 54 4.954 1.919 -0.401 1.00 40.43 H new ATOM 0 HG21 VAL A 54 1.893 2.362 -0.262 1.00 75.20 H new ATOM 0 HG22 VAL A 54 3.077 3.568 0.295 1.00 75.20 H new ATOM 0 HG23 VAL A 54 1.855 4.016 -0.918 1.00 75.20 H new ATOM 892 N GLN A 55 3.183 4.837 -4.092 1.00 11.21 N ATOM 893 CA GLN A 55 2.279 5.708 -4.843 1.00 55.30 C ATOM 894 C GLN A 55 0.874 5.096 -4.898 1.00 43.30 C ATOM 895 O GLN A 55 0.702 3.945 -5.312 1.00 23.15 O ATOM 896 CB GLN A 55 2.816 5.929 -6.265 1.00 72.11 C ATOM 897 CG GLN A 55 1.946 6.841 -7.126 1.00 22.41 C ATOM 898 CD GLN A 55 2.494 7.023 -8.534 1.00 22.34 C ATOM 899 OE1 GLN A 55 3.141 6.137 -9.084 1.00 71.12 O ATOM 900 NE2 GLN A 55 2.241 8.172 -9.128 1.00 3.55 N ATOM 0 H GLN A 55 3.584 4.077 -4.641 1.00 11.21 H new ATOM 0 HA GLN A 55 2.221 6.671 -4.336 1.00 55.30 H new ATOM 0 HB2 GLN A 55 3.817 6.355 -6.201 1.00 72.11 H new ATOM 0 HB3 GLN A 55 2.911 4.963 -6.760 1.00 72.11 H new ATOM 0 HG2 GLN A 55 0.940 6.427 -7.184 1.00 22.41 H new ATOM 0 HG3 GLN A 55 1.862 7.816 -6.645 1.00 22.41 H new ATOM 0 HE21 GLN A 55 1.700 8.888 -8.644 1.00 3.55 H new ATOM 0 HE22 GLN A 55 2.586 8.345 -10.072 1.00 3.55 H new ATOM 909 N ALA A 56 -0.124 5.861 -4.468 1.00 72.10 N ATOM 910 CA ALA A 56 -1.511 5.390 -4.478 1.00 13.11 C ATOM 911 C ALA A 56 -2.079 5.373 -5.902 1.00 3.02 C ATOM 912 O ALA A 56 -2.532 6.396 -6.404 1.00 44.03 O ATOM 913 CB ALA A 56 -2.373 6.263 -3.570 1.00 60.00 C ATOM 0 H ALA A 56 -0.002 6.808 -4.109 1.00 72.10 H new ATOM 0 HA ALA A 56 -1.524 4.368 -4.099 1.00 13.11 H new ATOM 0 HB1 ALA A 56 -3.401 5.902 -3.587 1.00 60.00 H new ATOM 0 HB2 ALA A 56 -1.989 6.218 -2.551 1.00 60.00 H new ATOM 0 HB3 ALA A 56 -2.345 7.294 -3.923 1.00 60.00 H new ATOM 919 N ILE A 57 -2.045 4.206 -6.541 1.00 54.44 N ATOM 920 CA ILE A 57 -2.513 4.054 -7.926 1.00 52.51 C ATOM 921 C ILE A 57 -3.957 4.555 -8.094 1.00 72.42 C ATOM 922 O ILE A 57 -4.201 5.579 -8.739 1.00 52.34 O ATOM 923 CB ILE A 57 -2.440 2.572 -8.383 1.00 50.51 C ATOM 924 CG1 ILE A 57 -1.034 1.997 -8.141 1.00 40.52 C ATOM 925 CG2 ILE A 57 -2.826 2.442 -9.857 1.00 32.43 C ATOM 926 CD1 ILE A 57 -0.914 0.517 -8.456 1.00 21.42 C ATOM 0 H ILE A 57 -1.697 3.344 -6.123 1.00 54.44 H new ATOM 0 HA ILE A 57 -1.852 4.659 -8.547 1.00 52.51 H new ATOM 0 HB ILE A 57 -3.152 1.998 -7.790 1.00 50.51 H new ATOM 0 HG12 ILE A 57 -0.317 2.548 -8.750 1.00 40.52 H new ATOM 0 HG13 ILE A 57 -0.759 2.160 -7.099 1.00 40.52 H new ATOM 0 HG21 ILE A 57 -2.768 1.396 -10.157 1.00 32.43 H new ATOM 0 HG22 ILE A 57 -3.844 2.805 -10.000 1.00 32.43 H new ATOM 0 HG23 ILE A 57 -2.141 3.032 -10.466 1.00 32.43 H new ATOM 0 HD11 ILE A 57 0.106 0.185 -8.261 1.00 21.42 H new ATOM 0 HD12 ILE A 57 -1.605 -0.046 -7.829 1.00 21.42 H new ATOM 0 HD13 ILE A 57 -1.156 0.348 -9.505 1.00 21.42 H new ATOM 938 N ASP A 58 -4.907 3.831 -7.506 1.00 43.24 N ATOM 939 CA ASP A 58 -6.324 4.199 -7.577 1.00 65.32 C ATOM 940 C ASP A 58 -6.959 4.248 -6.180 1.00 33.51 C ATOM 941 O ASP A 58 -6.852 3.299 -5.401 1.00 2.22 O ATOM 942 CB ASP A 58 -7.098 3.202 -8.452 1.00 53.34 C ATOM 943 CG ASP A 58 -6.628 3.194 -9.895 1.00 41.04 C ATOM 944 OD1 ASP A 58 -6.754 4.240 -10.569 1.00 11.30 O ATOM 945 OD2 ASP A 58 -6.135 2.145 -10.363 1.00 14.30 O ATOM 0 H ASP A 58 -4.722 2.982 -6.972 1.00 43.24 H new ATOM 0 HA ASP A 58 -6.380 5.193 -8.022 1.00 65.32 H new ATOM 0 HB2 ASP A 58 -6.991 2.201 -8.035 1.00 53.34 H new ATOM 0 HB3 ASP A 58 -8.159 3.448 -8.422 1.00 53.34 H new ATOM 950 N VAL A 59 -7.621 5.362 -5.872 1.00 72.21 N ATOM 951 CA VAL A 59 -8.390 5.492 -4.630 1.00 52.33 C ATOM 952 C VAL A 59 -9.886 5.335 -4.931 1.00 63.30 C ATOM 953 O VAL A 59 -10.514 6.231 -5.496 1.00 3.25 O ATOM 954 CB VAL A 59 -8.138 6.857 -3.938 1.00 34.32 C ATOM 955 CG1 VAL A 59 -8.936 6.964 -2.637 1.00 41.31 C ATOM 956 CG2 VAL A 59 -6.645 7.064 -3.682 1.00 61.02 C ATOM 0 H VAL A 59 -7.642 6.191 -6.466 1.00 72.21 H new ATOM 0 HA VAL A 59 -8.061 4.706 -3.950 1.00 52.33 H new ATOM 0 HB VAL A 59 -8.480 7.647 -4.607 1.00 34.32 H new ATOM 0 HG11 VAL A 59 -8.743 7.930 -2.170 1.00 41.31 H new ATOM 0 HG12 VAL A 59 -10.000 6.872 -2.854 1.00 41.31 H new ATOM 0 HG13 VAL A 59 -8.634 6.166 -1.958 1.00 41.31 H new ATOM 0 HG21 VAL A 59 -6.489 8.027 -3.196 1.00 61.02 H new ATOM 0 HG22 VAL A 59 -6.273 6.268 -3.037 1.00 61.02 H new ATOM 0 HG23 VAL A 59 -6.107 7.045 -4.630 1.00 61.02 H new ATOM 966 N ARG A 60 -10.442 4.183 -4.568 1.00 61.01 N ATOM 967 CA ARG A 60 -11.821 3.829 -4.926 1.00 20.13 C ATOM 968 C ARG A 60 -12.781 4.054 -3.740 1.00 32.35 C ATOM 969 O ARG A 60 -12.895 3.195 -2.865 1.00 63.43 O ATOM 970 CB ARG A 60 -11.854 2.355 -5.366 1.00 4.43 C ATOM 971 CG ARG A 60 -10.770 2.013 -6.386 1.00 4.33 C ATOM 972 CD ARG A 60 -10.664 0.512 -6.644 1.00 70.12 C ATOM 973 NE ARG A 60 -9.431 0.180 -7.357 1.00 60.44 N ATOM 974 CZ ARG A 60 -9.361 -0.122 -8.622 1.00 11.22 C ATOM 975 NH1 ARG A 60 -10.430 -0.218 -9.343 1.00 32.44 N ATOM 976 NH2 ARG A 60 -8.208 -0.337 -9.160 1.00 32.45 N ATOM 0 H ARG A 60 -9.958 3.470 -4.022 1.00 61.01 H new ATOM 0 HA ARG A 60 -12.153 4.470 -5.742 1.00 20.13 H new ATOM 0 HB2 ARG A 60 -11.735 1.717 -4.490 1.00 4.43 H new ATOM 0 HB3 ARG A 60 -12.831 2.131 -5.793 1.00 4.43 H new ATOM 0 HG2 ARG A 60 -10.983 2.526 -7.324 1.00 4.33 H new ATOM 0 HG3 ARG A 60 -9.810 2.386 -6.030 1.00 4.33 H new ATOM 0 HD2 ARG A 60 -10.694 -0.025 -5.696 1.00 70.12 H new ATOM 0 HD3 ARG A 60 -11.524 0.179 -7.226 1.00 70.12 H new ATOM 0 HE ARG A 60 -8.561 0.185 -6.824 1.00 60.44 H new ATOM 0 HH11 ARG A 60 -11.345 -0.056 -8.922 1.00 32.44 H new ATOM 0 HH12 ARG A 60 -10.358 -0.455 -10.332 1.00 32.44 H new ATOM 0 HH21 ARG A 60 -7.361 -0.270 -8.595 1.00 32.45 H new ATOM 0 HH22 ARG A 60 -8.143 -0.574 -10.150 1.00 32.45 H new ATOM 990 N PRO A 61 -13.496 5.200 -3.702 1.00 10.31 N ATOM 991 CA PRO A 61 -14.387 5.552 -2.572 1.00 61.42 C ATOM 992 C PRO A 61 -15.543 4.555 -2.396 1.00 43.13 C ATOM 993 O PRO A 61 -15.815 4.080 -1.291 1.00 21.33 O ATOM 994 CB PRO A 61 -14.930 6.942 -2.959 1.00 34.12 C ATOM 995 CG PRO A 61 -13.984 7.456 -3.993 1.00 71.32 C ATOM 996 CD PRO A 61 -13.503 6.246 -4.742 1.00 71.41 C ATOM 0 HA PRO A 61 -13.855 5.536 -1.621 1.00 61.42 H new ATOM 0 HB2 PRO A 61 -15.944 6.873 -3.352 1.00 34.12 H new ATOM 0 HB3 PRO A 61 -14.967 7.605 -2.095 1.00 34.12 H new ATOM 0 HG2 PRO A 61 -14.480 8.159 -4.662 1.00 71.32 H new ATOM 0 HG3 PRO A 61 -13.151 7.988 -3.532 1.00 71.32 H new ATOM 0 HD2 PRO A 61 -14.167 5.991 -5.568 1.00 71.41 H new ATOM 0 HD3 PRO A 61 -12.511 6.401 -5.167 1.00 71.41 H new ATOM 1004 N GLU A 62 -16.201 4.235 -3.506 1.00 32.11 N ATOM 1005 CA GLU A 62 -17.351 3.319 -3.516 1.00 63.34 C ATOM 1006 C GLU A 62 -17.015 1.936 -2.917 1.00 43.14 C ATOM 1007 O GLU A 62 -17.884 1.270 -2.348 1.00 12.25 O ATOM 1008 CB GLU A 62 -17.853 3.160 -4.960 1.00 53.32 C ATOM 1009 CG GLU A 62 -16.787 2.646 -5.923 1.00 14.12 C ATOM 1010 CD GLU A 62 -17.270 2.549 -7.361 1.00 71.23 C ATOM 1011 OE1 GLU A 62 -18.028 1.610 -7.679 1.00 74.24 O ATOM 1012 OE2 GLU A 62 -16.890 3.407 -8.184 1.00 13.34 O ATOM 0 H GLU A 62 -15.957 4.600 -4.427 1.00 32.11 H new ATOM 0 HA GLU A 62 -18.128 3.753 -2.887 1.00 63.34 H new ATOM 0 HB2 GLU A 62 -18.700 2.474 -4.968 1.00 53.32 H new ATOM 0 HB3 GLU A 62 -18.220 4.123 -5.317 1.00 53.32 H new ATOM 0 HG2 GLU A 62 -15.921 3.307 -5.882 1.00 14.12 H new ATOM 0 HG3 GLU A 62 -16.453 1.663 -5.592 1.00 14.12 H new ATOM 1019 N LYS A 63 -15.758 1.505 -3.053 1.00 13.33 N ATOM 1020 CA LYS A 63 -15.322 0.202 -2.525 1.00 70.22 C ATOM 1021 C LYS A 63 -14.402 0.359 -1.300 1.00 11.12 C ATOM 1022 O LYS A 63 -14.106 -0.619 -0.612 1.00 45.20 O ATOM 1023 CB LYS A 63 -14.591 -0.600 -3.620 1.00 73.02 C ATOM 1024 CG LYS A 63 -15.377 -0.741 -4.921 1.00 74.54 C ATOM 1025 CD LYS A 63 -16.729 -1.419 -4.709 1.00 43.12 C ATOM 1026 CE LYS A 63 -17.610 -1.338 -5.952 1.00 13.45 C ATOM 1027 NZ LYS A 63 -16.968 -1.955 -7.144 1.00 65.45 N ATOM 0 H LYS A 63 -15.024 2.035 -3.522 1.00 13.33 H new ATOM 0 HA LYS A 63 -16.216 -0.336 -2.210 1.00 70.22 H new ATOM 0 HB2 LYS A 63 -13.638 -0.116 -3.835 1.00 73.02 H new ATOM 0 HB3 LYS A 63 -14.364 -1.595 -3.236 1.00 73.02 H new ATOM 0 HG2 LYS A 63 -15.532 0.245 -5.358 1.00 74.54 H new ATOM 0 HG3 LYS A 63 -14.791 -1.318 -5.636 1.00 74.54 H new ATOM 0 HD2 LYS A 63 -16.573 -2.464 -4.443 1.00 43.12 H new ATOM 0 HD3 LYS A 63 -17.242 -0.950 -3.870 1.00 43.12 H new ATOM 0 HE2 LYS A 63 -18.559 -1.837 -5.755 1.00 13.45 H new ATOM 0 HE3 LYS A 63 -17.838 -0.294 -6.165 1.00 13.45 H new ATOM 0 HZ1 LYS A 63 -17.643 -1.966 -7.935 1.00 65.45 H new ATOM 0 HZ2 LYS A 63 -16.130 -1.401 -7.412 1.00 65.45 H new ATOM 0 HZ3 LYS A 63 -16.682 -2.929 -6.919 1.00 65.45 H new ATOM 1041 N ARG A 64 -13.956 1.592 -1.037 1.00 60.23 N ATOM 1042 CA ARG A 64 -13.006 1.878 0.051 1.00 52.33 C ATOM 1043 C ARG A 64 -11.711 1.062 -0.086 1.00 51.01 C ATOM 1044 O ARG A 64 -11.132 0.605 0.903 1.00 15.02 O ATOM 1045 CB ARG A 64 -13.672 1.656 1.423 1.00 52.24 C ATOM 1046 CG ARG A 64 -14.719 2.716 1.741 1.00 51.51 C ATOM 1047 CD ARG A 64 -15.352 2.534 3.117 1.00 50.53 C ATOM 1048 NE ARG A 64 -16.033 3.754 3.549 1.00 33.43 N ATOM 1049 CZ ARG A 64 -17.169 3.794 4.191 1.00 3.44 C ATOM 1050 NH1 ARG A 64 -17.825 2.706 4.453 1.00 64.15 N ATOM 1051 NH2 ARG A 64 -17.645 4.936 4.561 1.00 74.20 N ATOM 0 H ARG A 64 -14.239 2.417 -1.566 1.00 60.23 H new ATOM 0 HA ARG A 64 -12.723 2.928 -0.024 1.00 52.33 H new ATOM 0 HB2 ARG A 64 -14.139 0.671 1.442 1.00 52.24 H new ATOM 0 HB3 ARG A 64 -12.907 1.661 2.200 1.00 52.24 H new ATOM 0 HG2 ARG A 64 -14.258 3.702 1.687 1.00 51.51 H new ATOM 0 HG3 ARG A 64 -15.500 2.687 0.981 1.00 51.51 H new ATOM 0 HD2 ARG A 64 -16.063 1.708 3.087 1.00 50.53 H new ATOM 0 HD3 ARG A 64 -14.583 2.267 3.842 1.00 50.53 H new ATOM 0 HE ARG A 64 -15.585 4.644 3.331 1.00 33.43 H new ATOM 0 HH11 ARG A 64 -17.454 1.803 4.157 1.00 64.15 H new ATOM 0 HH12 ARG A 64 -18.711 2.753 4.956 1.00 64.15 H new ATOM 0 HH21 ARG A 64 -17.134 5.794 4.351 1.00 74.20 H new ATOM 0 HH22 ARG A 64 -18.532 4.980 5.063 1.00 74.20 H new ATOM 1065 N GLU A 65 -11.250 0.911 -1.330 1.00 51.34 N ATOM 1066 CA GLU A 65 -9.998 0.204 -1.632 1.00 45.35 C ATOM 1067 C GLU A 65 -8.985 1.151 -2.295 1.00 24.01 C ATOM 1068 O GLU A 65 -9.332 1.897 -3.212 1.00 11.30 O ATOM 1069 CB GLU A 65 -10.266 -0.983 -2.569 1.00 44.43 C ATOM 1070 CG GLU A 65 -11.324 -1.955 -2.058 1.00 14.21 C ATOM 1071 CD GLU A 65 -11.593 -3.095 -3.027 1.00 34.44 C ATOM 1072 OE1 GLU A 65 -11.840 -2.822 -4.222 1.00 4.24 O ATOM 1073 OE2 GLU A 65 -11.584 -4.266 -2.598 1.00 34.42 O ATOM 0 H GLU A 65 -11.730 1.273 -2.154 1.00 51.34 H new ATOM 0 HA GLU A 65 -9.585 -0.161 -0.692 1.00 45.35 H new ATOM 0 HB2 GLU A 65 -10.578 -0.601 -3.541 1.00 44.43 H new ATOM 0 HB3 GLU A 65 -9.334 -1.526 -2.725 1.00 44.43 H new ATOM 0 HG2 GLU A 65 -11.002 -2.366 -1.101 1.00 14.21 H new ATOM 0 HG3 GLU A 65 -12.252 -1.412 -1.876 1.00 14.21 H new ATOM 1080 N ILE A 66 -7.739 1.122 -1.832 1.00 65.21 N ATOM 1081 CA ILE A 66 -6.674 1.943 -2.423 1.00 61.43 C ATOM 1082 C ILE A 66 -5.504 1.064 -2.892 1.00 71.01 C ATOM 1083 O ILE A 66 -4.882 0.370 -2.088 1.00 12.54 O ATOM 1084 CB ILE A 66 -6.139 3.000 -1.421 1.00 51.55 C ATOM 1085 CG1 ILE A 66 -7.286 3.879 -0.891 1.00 75.34 C ATOM 1086 CG2 ILE A 66 -5.061 3.864 -2.083 1.00 70.42 C ATOM 1087 CD1 ILE A 66 -6.852 4.905 0.138 1.00 14.44 C ATOM 0 H ILE A 66 -7.437 0.541 -1.050 1.00 65.21 H new ATOM 0 HA ILE A 66 -7.112 2.460 -3.277 1.00 61.43 H new ATOM 0 HB ILE A 66 -5.693 2.477 -0.575 1.00 51.55 H new ATOM 0 HG12 ILE A 66 -7.752 4.396 -1.730 1.00 75.34 H new ATOM 0 HG13 ILE A 66 -8.048 3.237 -0.450 1.00 75.34 H new ATOM 0 HG21 ILE A 66 -4.695 4.601 -1.368 1.00 70.42 H new ATOM 0 HG22 ILE A 66 -4.235 3.231 -2.406 1.00 70.42 H new ATOM 0 HG23 ILE A 66 -5.485 4.376 -2.947 1.00 70.42 H new ATOM 0 HD11 ILE A 66 -7.717 5.484 0.462 1.00 14.44 H new ATOM 0 HD12 ILE A 66 -6.414 4.396 0.997 1.00 14.44 H new ATOM 0 HD13 ILE A 66 -6.113 5.573 -0.304 1.00 14.44 H new ATOM 1099 N ASP A 67 -5.211 1.096 -4.188 1.00 5.34 N ATOM 1100 CA ASP A 67 -4.105 0.309 -4.754 1.00 31.31 C ATOM 1101 C ASP A 67 -2.770 1.064 -4.629 1.00 32.11 C ATOM 1102 O ASP A 67 -2.695 2.254 -4.921 1.00 71.44 O ATOM 1103 CB ASP A 67 -4.389 -0.003 -6.228 1.00 10.42 C ATOM 1104 CG ASP A 67 -5.663 -0.809 -6.412 1.00 12.24 C ATOM 1105 OD1 ASP A 67 -5.673 -2.006 -6.056 1.00 21.14 O ATOM 1106 OD2 ASP A 67 -6.661 -0.249 -6.906 1.00 43.33 O ATOM 0 H ASP A 67 -5.720 1.656 -4.872 1.00 5.34 H new ATOM 0 HA ASP A 67 -4.026 -0.622 -4.193 1.00 31.31 H new ATOM 0 HB2 ASP A 67 -4.468 0.930 -6.786 1.00 10.42 H new ATOM 0 HB3 ASP A 67 -3.549 -0.555 -6.649 1.00 10.42 H new ATOM 1111 N PHE A 68 -1.720 0.371 -4.185 1.00 64.31 N ATOM 1112 CA PHE A 68 -0.392 0.986 -4.034 1.00 12.11 C ATOM 1113 C PHE A 68 0.633 0.398 -5.012 1.00 12.11 C ATOM 1114 O PHE A 68 0.525 -0.752 -5.438 1.00 51.25 O ATOM 1115 CB PHE A 68 0.128 0.813 -2.599 1.00 54.51 C ATOM 1116 CG PHE A 68 -0.690 1.519 -1.549 1.00 61.55 C ATOM 1117 CD1 PHE A 68 -1.104 2.829 -1.735 1.00 33.10 C ATOM 1118 CD2 PHE A 68 -1.029 0.877 -0.367 1.00 45.54 C ATOM 1119 CE1 PHE A 68 -1.843 3.481 -0.768 1.00 14.45 C ATOM 1120 CE2 PHE A 68 -1.768 1.525 0.602 1.00 45.34 C ATOM 1121 CZ PHE A 68 -2.176 2.829 0.402 1.00 43.53 C ATOM 0 H PHE A 68 -1.759 -0.614 -3.923 1.00 64.31 H new ATOM 0 HA PHE A 68 -0.513 2.046 -4.259 1.00 12.11 H new ATOM 0 HB2 PHE A 68 0.159 -0.251 -2.363 1.00 54.51 H new ATOM 0 HB3 PHE A 68 1.153 1.180 -2.551 1.00 54.51 H new ATOM 0 HD1 PHE A 68 -0.845 3.346 -2.647 1.00 33.10 H new ATOM 0 HD2 PHE A 68 -0.711 -0.142 -0.203 1.00 45.54 H new ATOM 0 HE1 PHE A 68 -2.160 4.501 -0.927 1.00 14.45 H new ATOM 0 HE2 PHE A 68 -2.027 1.012 1.517 1.00 45.34 H new ATOM 0 HZ PHE A 68 -2.754 3.337 1.159 1.00 43.53 H new ATOM 1131 N LYS A 69 1.631 1.207 -5.355 1.00 51.41 N ATOM 1132 CA LYS A 69 2.760 0.774 -6.190 1.00 23.23 C ATOM 1133 C LYS A 69 4.084 1.250 -5.575 1.00 13.50 C ATOM 1134 O LYS A 69 4.134 2.309 -4.949 1.00 71.44 O ATOM 1135 CB LYS A 69 2.618 1.351 -7.607 1.00 14.34 C ATOM 1136 CG LYS A 69 3.716 0.907 -8.575 1.00 15.21 C ATOM 1137 CD LYS A 69 3.673 1.691 -9.885 1.00 4.13 C ATOM 1138 CE LYS A 69 3.974 3.170 -9.663 1.00 64.43 C ATOM 1139 NZ LYS A 69 3.878 3.955 -10.920 1.00 54.33 N ATOM 0 H LYS A 69 1.685 2.183 -5.064 1.00 51.41 H new ATOM 0 HA LYS A 69 2.758 -0.315 -6.242 1.00 23.23 H new ATOM 0 HB2 LYS A 69 1.650 1.056 -8.012 1.00 14.34 H new ATOM 0 HB3 LYS A 69 2.620 2.439 -7.546 1.00 14.34 H new ATOM 0 HG2 LYS A 69 4.690 1.040 -8.104 1.00 15.21 H new ATOM 0 HG3 LYS A 69 3.606 -0.157 -8.785 1.00 15.21 H new ATOM 0 HD2 LYS A 69 4.397 1.273 -10.584 1.00 4.13 H new ATOM 0 HD3 LYS A 69 2.689 1.584 -10.342 1.00 4.13 H new ATOM 0 HE2 LYS A 69 3.277 3.575 -8.929 1.00 64.43 H new ATOM 0 HE3 LYS A 69 4.975 3.277 -9.245 1.00 64.43 H new ATOM 0 HZ1 LYS A 69 3.600 4.932 -10.699 1.00 54.33 H new ATOM 0 HZ2 LYS A 69 4.801 3.957 -11.399 1.00 54.33 H new ATOM 0 HZ3 LYS A 69 3.165 3.526 -11.544 1.00 54.33 H new ATOM 1153 N TYR A 70 5.157 0.488 -5.760 1.00 61.23 N ATOM 1154 CA TYR A 70 6.468 0.911 -5.265 1.00 55.20 C ATOM 1155 C TYR A 70 7.178 1.774 -6.314 1.00 43.53 C ATOM 1156 O TYR A 70 7.373 1.360 -7.456 1.00 12.14 O ATOM 1157 CB TYR A 70 7.349 -0.293 -4.904 1.00 62.54 C ATOM 1158 CG TYR A 70 8.640 0.102 -4.197 1.00 12.30 C ATOM 1159 CD1 TYR A 70 9.763 0.506 -4.919 1.00 15.41 C ATOM 1160 CD2 TYR A 70 8.730 0.086 -2.810 1.00 22.42 C ATOM 1161 CE1 TYR A 70 10.929 0.879 -4.277 1.00 42.42 C ATOM 1162 CE2 TYR A 70 9.895 0.454 -2.165 1.00 34.33 C ATOM 1163 CZ TYR A 70 10.990 0.850 -2.901 1.00 34.05 C ATOM 1164 OH TYR A 70 12.152 1.219 -2.258 1.00 5.42 O ATOM 0 H TYR A 70 5.150 -0.412 -6.241 1.00 61.23 H new ATOM 0 HA TYR A 70 6.305 1.497 -4.361 1.00 55.20 H new ATOM 0 HB2 TYR A 70 6.784 -0.970 -4.264 1.00 62.54 H new ATOM 0 HB3 TYR A 70 7.593 -0.843 -5.813 1.00 62.54 H new ATOM 0 HD1 TYR A 70 9.721 0.528 -5.998 1.00 15.41 H new ATOM 0 HD2 TYR A 70 7.874 -0.219 -2.226 1.00 22.42 H new ATOM 0 HE1 TYR A 70 11.788 1.192 -4.852 1.00 42.42 H new ATOM 0 HE2 TYR A 70 9.947 0.431 -1.086 1.00 34.33 H new ATOM 0 HH TYR A 70 12.028 1.143 -1.289 1.00 5.42 H new ATOM 1174 N ILE A 71 7.557 2.976 -5.913 1.00 70.45 N ATOM 1175 CA ILE A 71 8.226 3.921 -6.807 1.00 42.44 C ATOM 1176 C ILE A 71 9.721 4.053 -6.467 1.00 44.01 C ATOM 1177 O ILE A 71 10.089 4.329 -5.322 1.00 71.33 O ATOM 1178 CB ILE A 71 7.540 5.310 -6.743 1.00 63.20 C ATOM 1179 CG1 ILE A 71 7.353 5.746 -5.277 1.00 3.42 C ATOM 1180 CG2 ILE A 71 6.199 5.274 -7.477 1.00 24.45 C ATOM 1181 CD1 ILE A 71 6.634 7.065 -5.110 1.00 51.41 C ATOM 0 H ILE A 71 7.413 3.328 -4.966 1.00 70.45 H new ATOM 0 HA ILE A 71 8.143 3.531 -7.821 1.00 42.44 H new ATOM 0 HB ILE A 71 8.179 6.042 -7.237 1.00 63.20 H new ATOM 0 HG12 ILE A 71 6.797 4.972 -4.748 1.00 3.42 H new ATOM 0 HG13 ILE A 71 8.332 5.816 -4.803 1.00 3.42 H new ATOM 0 HG21 ILE A 71 5.729 6.256 -7.424 1.00 24.45 H new ATOM 0 HG22 ILE A 71 6.363 5.006 -8.521 1.00 24.45 H new ATOM 0 HG23 ILE A 71 5.548 4.534 -7.010 1.00 24.45 H new ATOM 0 HD11 ILE A 71 6.544 7.298 -4.049 1.00 51.41 H new ATOM 0 HD12 ILE A 71 7.199 7.853 -5.608 1.00 51.41 H new ATOM 0 HD13 ILE A 71 5.640 6.996 -5.552 1.00 51.41 H new