USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 454 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 21 ASN : amide:sc= -2.78! K(o=-5.9!,f=-2.4) USER MOD Set 1.2: A 52 ASN : amide:sc= -3.09! C(o=-5.9!,f=-11!) USER MOD Set 2.1: A 39 SER OG : rot -83:sc= 1.54 USER MOD Set 2.2: A 40 GLN : amide:sc= 0.377 K(o=1.9,f=0.89) USER MOD Set 3.1: A 26 GLN : amide:sc= -5.33! C(o=-11!,f=-23!) USER MOD Set 3.2: A 55 GLN : amide:sc= -5.49! C(o=-11!,f=-11!) USER MOD Set 4.1: A 4 LYS NZ :NH3+ -140:sc= 1.02 (180deg=0) USER MOD Set 4.2: A 6 ASN : amide:sc= 0.543 K(o=1.6,f=-3.9) USER MOD Single : A 1 VAL N :NH3+ 138:sc= 0.0638 (180deg=-0.262) USER MOD Single : A 3 ASN : amide:sc= -0.765 K(o=-0.76,f=-3.4!) USER MOD Single : A 7 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0871) USER MOD Single : A 13 THR OG1 : rot 66:sc= 0.837 USER MOD Single : A 18 ASN : amide:sc= -2.67 X(o=-2.7,f=-2.6!) USER MOD Single : A 23 ASN : amide:sc= -3.03! K(o=-3!,f=0.014) USER MOD Single : A 28 LYS NZ :NH3+ -155:sc= 0.579 (180deg=-0.057) USER MOD Single : A 33 SER OG : rot 160:sc=-0.00737 USER MOD Single : A 41 SER OG : rot -87:sc= 0.7 USER MOD Single : A 43 ASN : amide:sc= -0.0317 K(o=-0.032,f=-1.1) USER MOD Single : A 49 LYS NZ :NH3+ 162:sc= -4.64! (180deg=-6.74!) USER MOD Single : A 50 LYS NZ :NH3+ -139:sc= 1.13 (180deg=0.161) USER MOD Single : A 58 LYS NZ :NH3+ 137:sc= 0.939 (180deg=-0.177) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 20.761 -14.689 1.114 1.00 0.00 N ATOM 2 CA VAL A 1 20.354 -14.874 2.537 1.00 0.00 C ATOM 3 C VAL A 1 18.826 -14.879 2.630 1.00 0.00 C ATOM 4 O VAL A 1 18.143 -14.259 1.811 1.00 0.00 O ATOM 5 CB VAL A 1 20.952 -13.738 3.392 1.00 0.00 C ATOM 6 CG1 VAL A 1 20.351 -12.384 2.982 1.00 0.00 C ATOM 7 CG2 VAL A 1 20.662 -13.996 4.880 1.00 0.00 C ATOM 0 H1 VAL A 1 21.560 -14.025 1.065 1.00 0.00 H new ATOM 0 H2 VAL A 1 21.047 -15.605 0.713 1.00 0.00 H new ATOM 0 H3 VAL A 1 19.960 -14.308 0.571 1.00 0.00 H new ATOM 0 HA VAL A 1 20.729 -15.826 2.913 1.00 0.00 H new ATOM 0 HB VAL A 1 22.029 -13.712 3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 1 20.784 -11.593 3.595 1.00 0.00 H new ATOM 0 HG12 VAL A 1 20.572 -12.191 1.932 1.00 0.00 H new ATOM 0 HG13 VAL A 1 19.271 -12.406 3.128 1.00 0.00 H new ATOM 0 HG21 VAL A 1 21.087 -13.190 5.479 1.00 0.00 H new ATOM 0 HG22 VAL A 1 19.584 -14.037 5.039 1.00 0.00 H new ATOM 0 HG23 VAL A 1 21.109 -14.944 5.179 1.00 0.00 H new ATOM 19 N ASP A 2 18.305 -15.582 3.634 1.00 0.00 N ATOM 20 CA ASP A 2 16.860 -15.669 3.839 1.00 0.00 C ATOM 21 C ASP A 2 16.306 -14.332 4.333 1.00 0.00 C ATOM 22 O ASP A 2 16.898 -13.692 5.205 1.00 0.00 O ATOM 23 CB ASP A 2 16.547 -16.766 4.862 1.00 0.00 C ATOM 24 CG ASP A 2 17.099 -18.107 4.375 1.00 0.00 C ATOM 25 OD1 ASP A 2 16.498 -18.686 3.485 1.00 0.00 O ATOM 26 OD2 ASP A 2 18.122 -18.526 4.890 1.00 0.00 O ATOM 0 H ASP A 2 18.860 -16.098 4.317 1.00 0.00 H new ATOM 0 HA ASP A 2 16.388 -15.913 2.887 1.00 0.00 H new ATOM 0 HB2 ASP A 2 16.986 -16.511 5.827 1.00 0.00 H new ATOM 0 HB3 ASP A 2 15.470 -16.839 5.011 1.00 0.00 H new ATOM 31 N ASN A 3 15.171 -13.923 3.763 1.00 0.00 N ATOM 32 CA ASN A 3 14.527 -12.662 4.135 1.00 0.00 C ATOM 33 C ASN A 3 13.134 -12.918 4.709 1.00 0.00 C ATOM 34 O ASN A 3 12.444 -13.853 4.297 1.00 0.00 O ATOM 35 CB ASN A 3 14.424 -11.746 2.909 1.00 0.00 C ATOM 36 CG ASN A 3 13.841 -10.394 3.311 1.00 0.00 C ATOM 37 OD1 ASN A 3 12.725 -10.056 2.920 1.00 0.00 O ATOM 38 ND2 ASN A 3 14.530 -9.601 4.084 1.00 0.00 N ATOM 0 H ASN A 3 14.678 -14.448 3.041 1.00 0.00 H new ATOM 0 HA ASN A 3 15.134 -12.176 4.899 1.00 0.00 H new ATOM 0 HB2 ASN A 3 15.410 -11.608 2.465 1.00 0.00 H new ATOM 0 HB3 ASN A 3 13.795 -12.211 2.150 1.00 0.00 H new ATOM 0 HD21 ASN A 3 14.143 -8.700 4.365 1.00 0.00 H new ATOM 0 HD22 ASN A 3 15.455 -9.882 4.408 1.00 0.00 H new ATOM 45 N LYS A 4 12.732 -12.073 5.659 1.00 0.00 N ATOM 46 CA LYS A 4 11.421 -12.198 6.294 1.00 0.00 C ATOM 47 C LYS A 4 10.338 -11.566 5.422 1.00 0.00 C ATOM 48 O LYS A 4 10.582 -10.573 4.733 1.00 0.00 O ATOM 49 CB LYS A 4 11.432 -11.511 7.665 1.00 0.00 C ATOM 50 CG LYS A 4 12.402 -12.240 8.607 1.00 0.00 C ATOM 51 CD LYS A 4 12.408 -11.555 9.984 1.00 0.00 C ATOM 52 CE LYS A 4 11.169 -11.971 10.793 1.00 0.00 C ATOM 53 NZ LYS A 4 10.606 -10.778 11.486 1.00 0.00 N ATOM 0 H LYS A 4 13.295 -11.296 6.005 1.00 0.00 H new ATOM 0 HA LYS A 4 11.203 -13.259 6.419 1.00 0.00 H new ATOM 0 HB2 LYS A 4 11.731 -10.468 7.557 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.428 -11.512 8.090 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.106 -13.284 8.712 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.407 -12.235 8.184 1.00 0.00 H new ATOM 0 HD2 LYS A 4 13.313 -11.825 10.528 1.00 0.00 H new ATOM 0 HD3 LYS A 4 12.422 -10.472 9.859 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.420 -12.409 10.133 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.437 -12.736 11.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.299 -11.045 12.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.334 -10.038 11.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.792 -10.417 10.949 1.00 0.00 H new ATOM 67 N PHE A 5 9.140 -12.149 5.471 1.00 0.00 N ATOM 68 CA PHE A 5 8.005 -11.646 4.695 1.00 0.00 C ATOM 69 C PHE A 5 7.624 -10.238 5.150 1.00 0.00 C ATOM 70 O PHE A 5 6.984 -9.488 4.417 1.00 0.00 O ATOM 71 CB PHE A 5 6.800 -12.585 4.868 1.00 0.00 C ATOM 72 CG PHE A 5 6.303 -12.523 6.302 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.900 -13.322 7.288 1.00 0.00 C ATOM 74 CD2 PHE A 5 5.256 -11.658 6.644 1.00 0.00 C ATOM 75 CE1 PHE A 5 6.446 -13.255 8.610 1.00 0.00 C ATOM 76 CE2 PHE A 5 4.805 -11.592 7.966 1.00 0.00 C ATOM 77 CZ PHE A 5 5.400 -12.390 8.949 1.00 0.00 C ATOM 0 H PHE A 5 8.930 -12.970 6.039 1.00 0.00 H new ATOM 0 HA PHE A 5 8.293 -11.609 3.644 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.002 -12.297 4.184 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.084 -13.607 4.615 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.709 -13.988 7.027 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.796 -11.041 5.886 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.904 -13.872 9.369 1.00 0.00 H new ATOM 0 HE2 PHE A 5 3.997 -10.925 8.228 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.052 -12.338 9.970 1.00 0.00 H new ATOM 87 N ASN A 6 8.029 -9.905 6.373 1.00 0.00 N ATOM 88 CA ASN A 6 7.741 -8.596 6.957 1.00 0.00 C ATOM 89 C ASN A 6 8.273 -7.471 6.071 1.00 0.00 C ATOM 90 O ASN A 6 7.680 -6.393 6.002 1.00 0.00 O ATOM 91 CB ASN A 6 8.370 -8.496 8.343 1.00 0.00 C ATOM 92 CG ASN A 6 7.821 -9.597 9.246 1.00 0.00 C ATOM 93 OD1 ASN A 6 8.546 -10.524 9.607 1.00 0.00 O ATOM 94 ND2 ASN A 6 6.577 -9.551 9.633 1.00 0.00 N ATOM 0 H ASN A 6 8.561 -10.527 6.982 1.00 0.00 H new ATOM 0 HA ASN A 6 6.659 -8.491 7.037 1.00 0.00 H new ATOM 0 HB2 ASN A 6 9.454 -8.584 8.267 1.00 0.00 H new ATOM 0 HB3 ASN A 6 8.159 -7.519 8.778 1.00 0.00 H new ATOM 0 HD21 ASN A 6 6.203 -10.284 10.236 1.00 0.00 H new ATOM 0 HD22 ASN A 6 5.978 -8.782 9.333 1.00 0.00 H new ATOM 101 N LYS A 7 9.391 -7.739 5.392 1.00 0.00 N ATOM 102 CA LYS A 7 10.002 -6.752 4.501 1.00 0.00 C ATOM 103 C LYS A 7 9.006 -6.315 3.433 1.00 0.00 C ATOM 104 O LYS A 7 8.976 -5.151 3.029 1.00 0.00 O ATOM 105 CB LYS A 7 11.253 -7.350 3.840 1.00 0.00 C ATOM 106 CG LYS A 7 11.982 -6.276 3.018 1.00 0.00 C ATOM 107 CD LYS A 7 13.206 -6.893 2.327 1.00 0.00 C ATOM 108 CE LYS A 7 13.976 -5.809 1.563 1.00 0.00 C ATOM 109 NZ LYS A 7 14.731 -4.959 2.527 1.00 0.00 N ATOM 0 H LYS A 7 9.889 -8.628 5.442 1.00 0.00 H new ATOM 0 HA LYS A 7 10.290 -5.879 5.087 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.921 -7.750 4.603 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.970 -8.182 3.196 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.307 -5.854 2.274 1.00 0.00 H new ATOM 0 HG3 LYS A 7 12.293 -5.457 3.667 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.856 -7.359 3.067 1.00 0.00 H new ATOM 0 HD3 LYS A 7 12.890 -7.679 1.641 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.663 -6.269 0.853 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.284 -5.195 0.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.405 -4.361 2.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.066 -4.356 3.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 15.249 -5.566 3.194 1.00 0.00 H new ATOM 123 N GLU A 8 8.191 -7.268 2.996 1.00 0.00 N ATOM 124 CA GLU A 8 7.175 -7.011 1.978 1.00 0.00 C ATOM 125 C GLU A 8 6.160 -5.994 2.479 1.00 0.00 C ATOM 126 O GLU A 8 5.634 -5.191 1.709 1.00 0.00 O ATOM 127 CB GLU A 8 6.442 -8.310 1.617 1.00 0.00 C ATOM 128 CG GLU A 8 7.438 -9.355 1.101 1.00 0.00 C ATOM 129 CD GLU A 8 6.704 -10.657 0.786 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.415 -11.390 1.718 1.00 0.00 O ATOM 131 OE2 GLU A 8 6.439 -10.900 -0.380 1.00 0.00 O ATOM 0 H GLU A 8 8.213 -8.231 3.332 1.00 0.00 H new ATOM 0 HA GLU A 8 7.677 -6.616 1.095 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.919 -8.696 2.492 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.687 -8.111 0.857 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.939 -8.983 0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.211 -9.534 1.848 1.00 0.00 H new ATOM 138 N LEU A 9 5.884 -6.046 3.773 1.00 0.00 N ATOM 139 CA LEU A 9 4.922 -5.128 4.370 1.00 0.00 C ATOM 140 C LEU A 9 5.494 -3.723 4.473 1.00 0.00 C ATOM 141 O LEU A 9 4.761 -2.740 4.350 1.00 0.00 O ATOM 142 CB LEU A 9 4.460 -5.616 5.750 1.00 0.00 C ATOM 143 CG LEU A 9 3.523 -6.816 5.567 1.00 0.00 C ATOM 144 CD1 LEU A 9 4.348 -8.058 5.230 1.00 0.00 C ATOM 145 CD2 LEU A 9 2.714 -7.063 6.845 1.00 0.00 C ATOM 0 H LEU A 9 6.307 -6.706 4.426 1.00 0.00 H new ATOM 0 HA LEU A 9 4.054 -5.100 3.712 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.320 -5.899 6.357 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.946 -4.814 6.280 1.00 0.00 H new ATOM 0 HG LEU A 9 2.831 -6.604 4.752 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.683 -8.912 5.100 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.904 -7.887 4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.046 -8.262 6.042 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.054 -7.918 6.698 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.394 -7.267 7.672 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.118 -6.180 7.075 1.00 0.00 H new ATOM 157 N GLY A 10 6.810 -3.630 4.658 1.00 0.00 N ATOM 158 CA GLY A 10 7.465 -2.335 4.731 1.00 0.00 C ATOM 159 C GLY A 10 7.543 -1.773 3.332 1.00 0.00 C ATOM 160 O GLY A 10 7.555 -0.558 3.118 1.00 0.00 O ATOM 0 H GLY A 10 7.434 -4.430 4.759 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.907 -1.662 5.382 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.463 -2.436 5.157 1.00 0.00 H new ATOM 164 N TRP A 11 7.609 -2.704 2.386 1.00 0.00 N ATOM 165 CA TRP A 11 7.707 -2.378 0.986 1.00 0.00 C ATOM 166 C TRP A 11 6.490 -1.602 0.490 1.00 0.00 C ATOM 167 O TRP A 11 6.621 -0.538 -0.098 1.00 0.00 O ATOM 168 CB TRP A 11 7.807 -3.689 0.201 1.00 0.00 C ATOM 169 CG TRP A 11 8.299 -3.402 -1.161 1.00 0.00 C ATOM 170 CD1 TRP A 11 9.594 -3.310 -1.484 1.00 0.00 C ATOM 171 CD2 TRP A 11 7.539 -3.166 -2.376 1.00 0.00 C ATOM 172 NE1 TRP A 11 9.692 -3.000 -2.830 1.00 0.00 N ATOM 173 CE2 TRP A 11 8.448 -2.915 -3.426 1.00 0.00 C ATOM 174 CE3 TRP A 11 6.163 -3.142 -2.664 1.00 0.00 C ATOM 175 CZ2 TRP A 11 8.009 -2.647 -4.722 1.00 0.00 C ATOM 176 CZ3 TRP A 11 5.716 -2.876 -3.968 1.00 0.00 C ATOM 177 CH2 TRP A 11 6.638 -2.630 -4.995 1.00 0.00 C ATOM 0 H TRP A 11 7.595 -3.705 2.579 1.00 0.00 H new ATOM 0 HA TRP A 11 8.585 -1.748 0.839 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.482 -4.379 0.707 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.832 -4.174 0.154 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.424 -3.453 -0.808 1.00 0.00 H new ATOM 0 HE1 TRP A 11 10.574 -2.853 -3.321 1.00 0.00 H new ATOM 0 HE3 TRP A 11 5.446 -3.329 -1.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 8.723 -2.454 -5.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 4.657 -2.861 -4.181 1.00 0.00 H new ATOM 0 HH2 TRP A 11 6.289 -2.427 -5.997 1.00 0.00 H new ATOM 188 N ALA A 12 5.307 -2.141 0.710 1.00 0.00 N ATOM 189 CA ALA A 12 4.105 -1.462 0.247 1.00 0.00 C ATOM 190 C ALA A 12 3.782 -0.204 1.037 1.00 0.00 C ATOM 191 O ALA A 12 3.201 0.730 0.503 1.00 0.00 O ATOM 192 CB ALA A 12 2.913 -2.388 0.301 1.00 0.00 C ATOM 0 H ALA A 12 5.149 -3.025 1.194 1.00 0.00 H new ATOM 0 HA ALA A 12 4.312 -1.165 -0.781 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.026 -1.860 -0.049 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.095 -3.253 -0.336 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.756 -2.720 1.327 1.00 0.00 H new ATOM 198 N THR A 13 4.099 -0.203 2.322 1.00 0.00 N ATOM 199 CA THR A 13 3.740 0.935 3.157 1.00 0.00 C ATOM 200 C THR A 13 4.359 2.210 2.646 1.00 0.00 C ATOM 201 O THR A 13 3.650 3.193 2.474 1.00 0.00 O ATOM 202 CB THR A 13 4.156 0.696 4.617 1.00 0.00 C ATOM 203 OG1 THR A 13 3.532 -0.485 5.100 1.00 0.00 O ATOM 204 CG2 THR A 13 3.733 1.894 5.482 1.00 0.00 C ATOM 0 H THR A 13 4.592 -0.956 2.802 1.00 0.00 H new ATOM 0 HA THR A 13 2.656 1.041 3.113 1.00 0.00 H new ATOM 0 HB THR A 13 5.239 0.582 4.669 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.884 -1.262 4.617 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.030 1.719 6.516 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.217 2.798 5.113 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.651 2.015 5.431 1.00 0.00 H new ATOM 212 N TRP A 14 5.653 2.184 2.368 1.00 0.00 N ATOM 213 CA TRP A 14 6.318 3.363 1.845 1.00 0.00 C ATOM 214 C TRP A 14 5.847 3.628 0.390 1.00 0.00 C ATOM 215 O TRP A 14 5.650 4.783 0.011 1.00 0.00 O ATOM 216 CB TRP A 14 7.852 3.205 1.976 1.00 0.00 C ATOM 217 CG TRP A 14 8.469 3.319 0.636 1.00 0.00 C ATOM 218 CD1 TRP A 14 8.712 4.467 -0.032 1.00 0.00 C ATOM 219 CD2 TRP A 14 8.854 2.247 -0.228 1.00 0.00 C ATOM 220 NE1 TRP A 14 9.194 4.147 -1.283 1.00 0.00 N ATOM 221 CE2 TRP A 14 9.300 2.784 -1.443 1.00 0.00 C ATOM 222 CE3 TRP A 14 8.848 0.866 -0.068 1.00 0.00 C ATOM 223 CZ2 TRP A 14 9.713 1.967 -2.473 1.00 0.00 C ATOM 224 CZ3 TRP A 14 9.267 0.040 -1.103 1.00 0.00 C ATOM 225 CH2 TRP A 14 9.692 0.587 -2.305 1.00 0.00 C ATOM 0 H TRP A 14 6.255 1.371 2.494 1.00 0.00 H new ATOM 0 HA TRP A 14 6.046 4.243 2.428 1.00 0.00 H new ATOM 0 HB2 TRP A 14 8.253 3.970 2.640 1.00 0.00 H new ATOM 0 HB3 TRP A 14 8.094 2.239 2.420 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.555 5.465 0.349 1.00 0.00 H new ATOM 0 HE1 TRP A 14 9.440 4.832 -1.998 1.00 0.00 H new ATOM 0 HE3 TRP A 14 8.516 0.434 0.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 10.051 2.396 -3.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 9.262 -1.032 -0.972 1.00 0.00 H new ATOM 0 HH2 TRP A 14 10.007 -0.060 -3.111 1.00 0.00 H new ATOM 236 N GLU A 15 5.668 2.556 -0.421 1.00 0.00 N ATOM 237 CA GLU A 15 5.227 2.711 -1.815 1.00 0.00 C ATOM 238 C GLU A 15 3.892 3.441 -1.902 1.00 0.00 C ATOM 239 O GLU A 15 3.721 4.377 -2.687 1.00 0.00 O ATOM 240 CB GLU A 15 5.002 1.315 -2.397 1.00 0.00 C ATOM 241 CG GLU A 15 6.318 0.641 -2.736 1.00 0.00 C ATOM 242 CD GLU A 15 6.795 1.085 -4.119 1.00 0.00 C ATOM 243 OE1 GLU A 15 7.372 2.155 -4.214 1.00 0.00 O ATOM 244 OE2 GLU A 15 6.558 0.356 -5.067 1.00 0.00 O ATOM 0 H GLU A 15 5.822 1.590 -0.132 1.00 0.00 H new ATOM 0 HA GLU A 15 5.987 3.278 -2.352 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.452 0.704 -1.681 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.386 1.387 -3.294 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.068 0.892 -1.986 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.197 -0.442 -2.715 1.00 0.00 H new ATOM 251 N ILE A 16 2.966 2.990 -1.088 1.00 0.00 N ATOM 252 CA ILE A 16 1.626 3.553 -1.022 1.00 0.00 C ATOM 253 C ILE A 16 1.693 4.940 -0.412 1.00 0.00 C ATOM 254 O ILE A 16 1.035 5.869 -0.870 1.00 0.00 O ATOM 255 CB ILE A 16 0.799 2.569 -0.195 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.829 1.243 -0.968 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.656 3.043 0.001 1.00 0.00 C ATOM 258 CD1 ILE A 16 0.135 0.157 -0.169 1.00 0.00 C ATOM 0 H ILE A 16 3.118 2.214 -0.444 1.00 0.00 H new ATOM 0 HA ILE A 16 1.164 3.680 -2.001 1.00 0.00 H new ATOM 0 HB ILE A 16 1.217 2.474 0.807 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.338 1.365 -1.933 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.861 0.954 -1.169 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.201 2.309 0.595 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.660 4.003 0.518 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.137 3.153 -0.971 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.162 -0.779 -0.727 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.645 0.026 0.785 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.902 0.443 0.010 1.00 0.00 H new ATOM 270 N PHE A 17 2.526 5.065 0.600 1.00 0.00 N ATOM 271 CA PHE A 17 2.728 6.353 1.269 1.00 0.00 C ATOM 272 C PHE A 17 3.384 7.381 0.342 1.00 0.00 C ATOM 273 O PHE A 17 3.317 8.584 0.605 1.00 0.00 O ATOM 274 CB PHE A 17 3.625 6.176 2.498 1.00 0.00 C ATOM 275 CG PHE A 17 2.822 6.189 3.786 1.00 0.00 C ATOM 276 CD1 PHE A 17 1.732 7.065 3.958 1.00 0.00 C ATOM 277 CD2 PHE A 17 3.184 5.321 4.823 1.00 0.00 C ATOM 278 CE1 PHE A 17 1.019 7.059 5.161 1.00 0.00 C ATOM 279 CE2 PHE A 17 2.465 5.315 6.020 1.00 0.00 C ATOM 280 CZ PHE A 17 1.383 6.184 6.191 1.00 0.00 C ATOM 0 H PHE A 17 3.078 4.298 0.984 1.00 0.00 H new ATOM 0 HA PHE A 17 1.743 6.717 1.561 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.170 5.235 2.418 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.368 6.973 2.524 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.448 7.739 3.163 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.023 4.653 4.697 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.185 7.732 5.296 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.745 4.639 6.814 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.828 6.180 7.118 1.00 0.00 H new ATOM 290 N ASN A 18 4.018 6.909 -0.734 1.00 0.00 N ATOM 291 CA ASN A 18 4.687 7.807 -1.680 1.00 0.00 C ATOM 292 C ASN A 18 3.680 8.413 -2.646 1.00 0.00 C ATOM 293 O ASN A 18 4.054 8.988 -3.671 1.00 0.00 O ATOM 294 CB ASN A 18 5.776 7.053 -2.460 1.00 0.00 C ATOM 295 CG ASN A 18 7.040 6.908 -1.616 1.00 0.00 C ATOM 296 OD1 ASN A 18 7.029 7.167 -0.411 1.00 0.00 O ATOM 297 ND2 ASN A 18 8.145 6.521 -2.188 1.00 0.00 N ATOM 0 H ASN A 18 4.083 5.919 -0.971 1.00 0.00 H new ATOM 0 HA ASN A 18 5.155 8.612 -1.113 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.409 6.068 -2.747 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.007 7.588 -3.381 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.000 6.433 -1.639 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.155 6.306 -3.185 1.00 0.00 H new ATOM 304 N LEU A 19 2.402 8.290 -2.304 1.00 0.00 N ATOM 305 CA LEU A 19 1.350 8.829 -3.131 1.00 0.00 C ATOM 306 C LEU A 19 1.052 10.249 -2.715 1.00 0.00 C ATOM 307 O LEU A 19 0.730 10.502 -1.551 1.00 0.00 O ATOM 308 CB LEU A 19 0.105 7.965 -3.014 1.00 0.00 C ATOM 309 CG LEU A 19 0.327 6.641 -3.755 1.00 0.00 C ATOM 310 CD1 LEU A 19 -0.997 5.924 -3.956 1.00 0.00 C ATOM 311 CD2 LEU A 19 0.956 6.896 -5.115 1.00 0.00 C ATOM 0 H LEU A 19 2.078 7.820 -1.458 1.00 0.00 H new ATOM 0 HA LEU A 19 1.673 8.830 -4.172 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.120 7.773 -1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.754 8.489 -3.433 1.00 0.00 H new ATOM 0 HG LEU A 19 0.993 6.023 -3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.826 4.985 -4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.450 5.718 -2.986 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.666 6.553 -4.543 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.108 5.947 -5.629 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.296 7.529 -5.708 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.916 7.395 -4.984 1.00 0.00 H new ATOM 323 N PRO A 20 1.192 11.189 -3.619 1.00 0.00 N ATOM 324 CA PRO A 20 0.975 12.605 -3.293 1.00 0.00 C ATOM 325 C PRO A 20 -0.491 13.013 -3.115 1.00 0.00 C ATOM 326 O PRO A 20 -0.761 14.209 -2.978 1.00 0.00 O ATOM 327 CB PRO A 20 1.612 13.386 -4.458 1.00 0.00 C ATOM 328 CG PRO A 20 2.164 12.375 -5.411 1.00 0.00 C ATOM 329 CD PRO A 20 1.572 11.022 -5.033 1.00 0.00 C ATOM 0 HA PRO A 20 1.421 12.820 -2.322 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.871 14.016 -4.950 1.00 0.00 H new ATOM 0 HB3 PRO A 20 2.401 14.045 -4.095 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.905 12.634 -6.438 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.252 12.347 -5.354 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.710 10.775 -5.653 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.297 10.218 -5.160 1.00 0.00 H new ATOM 337 N ASN A 21 -1.446 12.063 -3.133 1.00 0.00 N ATOM 338 CA ASN A 21 -2.840 12.448 -2.988 1.00 0.00 C ATOM 339 C ASN A 21 -3.549 11.610 -1.924 1.00 0.00 C ATOM 340 O ASN A 21 -4.722 11.844 -1.637 1.00 0.00 O ATOM 341 CB ASN A 21 -3.530 12.331 -4.347 1.00 0.00 C ATOM 342 CG ASN A 21 -2.794 13.185 -5.378 1.00 0.00 C ATOM 343 OD1 ASN A 21 -3.015 14.392 -5.456 1.00 0.00 O ATOM 344 ND2 ASN A 21 -1.920 12.632 -6.169 1.00 0.00 N ATOM 0 H ASN A 21 -1.276 11.063 -3.243 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.891 13.482 -2.648 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.545 11.290 -4.669 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.568 12.655 -4.267 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.419 13.200 -6.852 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.736 11.631 -6.105 1.00 0.00 H new ATOM 351 N LEU A 22 -2.831 10.653 -1.318 1.00 0.00 N ATOM 352 CA LEU A 22 -3.419 9.821 -0.272 1.00 0.00 C ATOM 353 C LEU A 22 -3.555 10.557 1.048 1.00 0.00 C ATOM 354 O LEU A 22 -2.918 11.584 1.292 1.00 0.00 O ATOM 355 CB LEU A 22 -2.544 8.604 0.024 1.00 0.00 C ATOM 356 CG LEU A 22 -2.599 7.568 -1.092 1.00 0.00 C ATOM 357 CD1 LEU A 22 -1.849 6.301 -0.642 1.00 0.00 C ATOM 358 CD2 LEU A 22 -4.050 7.207 -1.387 1.00 0.00 C ATOM 0 H LEU A 22 -1.857 10.442 -1.534 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.398 9.535 -0.656 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.513 8.927 0.167 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.867 8.146 0.959 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.136 7.978 -1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.885 5.556 -1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.810 6.551 -0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.320 5.898 0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.085 6.466 -2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.512 6.796 -0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.591 8.101 -1.697 1.00 0.00 H new ATOM 370 N ASN A 23 -4.353 9.942 1.911 1.00 0.00 N ATOM 371 CA ASN A 23 -4.576 10.407 3.260 1.00 0.00 C ATOM 372 C ASN A 23 -4.118 9.289 4.191 1.00 0.00 C ATOM 373 O ASN A 23 -4.187 8.114 3.817 1.00 0.00 O ATOM 374 CB ASN A 23 -6.062 10.707 3.477 1.00 0.00 C ATOM 375 CG ASN A 23 -6.264 11.391 4.825 1.00 0.00 C ATOM 376 OD1 ASN A 23 -5.997 12.584 4.966 1.00 0.00 O ATOM 377 ND2 ASN A 23 -6.713 10.698 5.831 1.00 0.00 N ATOM 0 H ASN A 23 -4.869 9.092 1.682 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.024 11.327 3.455 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -6.433 11.346 2.676 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -6.638 9.782 3.439 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -6.844 11.144 6.739 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -6.934 9.709 5.711 1.00 0.00 H new ATOM 384 N GLY A 24 -3.643 9.643 5.383 1.00 0.00 N ATOM 385 CA GLY A 24 -3.170 8.643 6.343 1.00 0.00 C ATOM 386 C GLY A 24 -4.162 7.489 6.471 1.00 0.00 C ATOM 387 O GLY A 24 -3.772 6.356 6.745 1.00 0.00 O ATOM 0 H GLY A 24 -3.575 10.608 5.708 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.201 8.259 6.025 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.024 9.110 7.317 1.00 0.00 H new ATOM 391 N VAL A 25 -5.444 7.789 6.250 1.00 0.00 N ATOM 392 CA VAL A 25 -6.495 6.779 6.323 1.00 0.00 C ATOM 393 C VAL A 25 -6.395 5.803 5.151 1.00 0.00 C ATOM 394 O VAL A 25 -6.401 4.590 5.351 1.00 0.00 O ATOM 395 CB VAL A 25 -7.868 7.463 6.314 1.00 0.00 C ATOM 396 CG1 VAL A 25 -8.972 6.399 6.289 1.00 0.00 C ATOM 397 CG2 VAL A 25 -8.016 8.315 7.580 1.00 0.00 C ATOM 0 H VAL A 25 -5.777 8.725 6.019 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.372 6.217 7.249 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.953 8.096 5.431 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.947 6.886 6.283 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.867 5.786 5.394 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.888 5.767 7.173 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.991 8.803 7.578 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.931 7.677 8.460 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.231 9.071 7.603 1.00 0.00 H new ATOM 407 N GLN A 26 -6.310 6.343 3.929 1.00 0.00 N ATOM 408 CA GLN A 26 -6.222 5.531 2.727 1.00 0.00 C ATOM 409 C GLN A 26 -4.956 4.711 2.711 1.00 0.00 C ATOM 410 O GLN A 26 -4.988 3.514 2.431 1.00 0.00 O ATOM 411 CB GLN A 26 -6.241 6.466 1.539 1.00 0.00 C ATOM 412 CG GLN A 26 -7.592 7.163 1.529 1.00 0.00 C ATOM 413 CD GLN A 26 -7.552 8.393 0.659 1.00 0.00 C ATOM 414 OE1 GLN A 26 -6.532 9.073 0.578 1.00 0.00 O ATOM 415 NE2 GLN A 26 -8.618 8.722 0.014 1.00 0.00 N ATOM 0 H GLN A 26 -6.301 7.348 3.755 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.062 4.837 2.693 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.434 7.195 1.612 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.088 5.912 0.613 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.357 6.478 1.164 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.871 7.440 2.546 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.458 8.148 0.090 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.622 9.556 -0.573 1.00 0.00 H new ATOM 424 N VAL A 27 -3.844 5.362 3.031 1.00 0.00 N ATOM 425 CA VAL A 27 -2.570 4.676 3.059 1.00 0.00 C ATOM 426 C VAL A 27 -2.644 3.534 4.053 1.00 0.00 C ATOM 427 O VAL A 27 -2.329 2.388 3.724 1.00 0.00 O ATOM 428 CB VAL A 27 -1.452 5.639 3.466 1.00 0.00 C ATOM 429 CG1 VAL A 27 -0.114 4.896 3.382 1.00 0.00 C ATOM 430 CG2 VAL A 27 -1.438 6.849 2.525 1.00 0.00 C ATOM 0 H VAL A 27 -3.804 6.352 3.271 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.351 4.290 2.063 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.617 5.992 4.484 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.694 5.569 3.669 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.130 4.040 4.056 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.047 4.551 2.361 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.640 7.530 2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.268 6.513 1.502 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.396 7.366 2.582 1.00 0.00 H new ATOM 440 N LYS A 28 -3.111 3.860 5.255 1.00 0.00 N ATOM 441 CA LYS A 28 -3.273 2.870 6.304 1.00 0.00 C ATOM 442 C LYS A 28 -4.189 1.759 5.818 1.00 0.00 C ATOM 443 O LYS A 28 -3.988 0.608 6.154 1.00 0.00 O ATOM 444 CB LYS A 28 -3.854 3.511 7.567 1.00 0.00 C ATOM 445 CG LYS A 28 -3.840 2.479 8.696 1.00 0.00 C ATOM 446 CD LYS A 28 -4.478 3.060 9.958 1.00 0.00 C ATOM 447 CE LYS A 28 -4.358 2.034 11.083 1.00 0.00 C ATOM 448 NZ LYS A 28 -5.336 0.931 10.855 1.00 0.00 N ATOM 0 H LYS A 28 -3.383 4.806 5.523 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.295 2.455 6.548 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.269 4.386 7.849 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.872 3.854 7.382 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.381 1.585 8.386 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.815 2.175 8.906 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.982 3.989 10.239 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.525 3.300 9.776 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.345 1.634 11.119 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.547 2.510 12.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.569 0.480 11.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.202 1.318 10.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.920 0.225 10.214 1.00 0.00 H new ATOM 462 N ALA A 29 -5.190 2.129 5.022 1.00 0.00 N ATOM 463 CA ALA A 29 -6.144 1.170 4.483 1.00 0.00 C ATOM 464 C ALA A 29 -5.454 0.180 3.560 1.00 0.00 C ATOM 465 O ALA A 29 -5.770 -1.011 3.566 1.00 0.00 O ATOM 466 CB ALA A 29 -7.229 1.907 3.696 1.00 0.00 C ATOM 0 H ALA A 29 -5.360 3.093 4.736 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.588 0.627 5.318 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.941 1.186 3.294 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.749 2.601 4.356 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.771 2.460 2.876 1.00 0.00 H new ATOM 472 N PHE A 30 -4.511 0.682 2.763 1.00 0.00 N ATOM 473 CA PHE A 30 -3.795 -0.156 1.844 1.00 0.00 C ATOM 474 C PHE A 30 -2.823 -1.022 2.620 1.00 0.00 C ATOM 475 O PHE A 30 -2.709 -2.224 2.380 1.00 0.00 O ATOM 476 CB PHE A 30 -3.130 0.728 0.793 1.00 0.00 C ATOM 477 CG PHE A 30 -4.230 1.459 0.038 1.00 0.00 C ATOM 478 CD1 PHE A 30 -5.324 0.737 -0.465 1.00 0.00 C ATOM 479 CD2 PHE A 30 -4.193 2.854 -0.123 1.00 0.00 C ATOM 480 CE1 PHE A 30 -6.359 1.397 -1.115 1.00 0.00 C ATOM 481 CE2 PHE A 30 -5.230 3.504 -0.781 1.00 0.00 C ATOM 482 CZ PHE A 30 -6.312 2.776 -1.275 1.00 0.00 C ATOM 0 H PHE A 30 -4.237 1.664 2.746 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.460 -0.836 1.311 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.453 1.440 1.265 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.533 0.125 0.109 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.361 -0.336 -0.346 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.359 3.421 0.264 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.201 0.838 -1.496 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.198 4.576 -0.910 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.116 3.286 -1.784 1.00 0.00 H new ATOM 492 N ILE A 31 -2.184 -0.405 3.598 1.00 0.00 N ATOM 493 CA ILE A 31 -1.277 -1.108 4.485 1.00 0.00 C ATOM 494 C ILE A 31 -2.074 -2.079 5.359 1.00 0.00 C ATOM 495 O ILE A 31 -1.597 -3.160 5.701 1.00 0.00 O ATOM 496 CB ILE A 31 -0.477 -0.093 5.298 1.00 0.00 C ATOM 497 CG1 ILE A 31 0.437 0.658 4.323 1.00 0.00 C ATOM 498 CG2 ILE A 31 0.385 -0.793 6.359 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.571 2.108 4.747 1.00 0.00 C ATOM 0 H ILE A 31 -2.279 0.591 3.798 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.560 -1.702 3.918 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.158 0.585 5.812 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.419 0.186 4.296 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.029 0.602 3.314 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.944 -0.047 6.924 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.258 -1.355 7.037 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.081 -1.475 5.870 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.222 2.633 4.048 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.412 2.579 4.750 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.999 2.156 5.748 1.00 0.00 H new ATOM 511 N ASP A 32 -3.307 -1.695 5.703 1.00 0.00 N ATOM 512 CA ASP A 32 -4.162 -2.577 6.503 1.00 0.00 C ATOM 513 C ASP A 32 -4.417 -3.860 5.717 1.00 0.00 C ATOM 514 O ASP A 32 -4.373 -4.959 6.270 1.00 0.00 O ATOM 515 CB ASP A 32 -5.507 -1.908 6.848 1.00 0.00 C ATOM 516 CG ASP A 32 -5.358 -0.859 7.962 1.00 0.00 C ATOM 517 OD1 ASP A 32 -4.396 -0.924 8.716 1.00 0.00 O ATOM 518 OD2 ASP A 32 -6.222 0.000 8.046 1.00 0.00 O ATOM 0 H ASP A 32 -3.728 -0.802 5.448 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.651 -2.795 7.441 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.916 -1.434 5.956 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.222 -2.670 7.160 1.00 0.00 H new ATOM 523 N SER A 33 -4.652 -3.699 4.410 1.00 0.00 N ATOM 524 CA SER A 33 -4.882 -4.839 3.525 1.00 0.00 C ATOM 525 C SER A 33 -3.632 -5.720 3.479 1.00 0.00 C ATOM 526 O SER A 33 -3.723 -6.939 3.330 1.00 0.00 O ATOM 527 CB SER A 33 -5.246 -4.354 2.124 1.00 0.00 C ATOM 528 OG SER A 33 -5.743 -5.449 1.366 1.00 0.00 O ATOM 0 H SER A 33 -4.687 -2.792 3.946 1.00 0.00 H new ATOM 0 HA SER A 33 -5.713 -5.429 3.912 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.997 -3.566 2.182 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.371 -3.925 1.636 1.00 0.00 H new ATOM 0 HG SER A 33 -6.265 -5.112 0.608 1.00 0.00 H new ATOM 534 N LEU A 34 -2.465 -5.083 3.616 1.00 0.00 N ATOM 535 CA LEU A 34 -1.188 -5.783 3.608 1.00 0.00 C ATOM 536 C LEU A 34 -1.169 -6.858 4.690 1.00 0.00 C ATOM 537 O LEU A 34 -0.691 -7.969 4.483 1.00 0.00 O ATOM 538 CB LEU A 34 -0.092 -4.766 3.973 1.00 0.00 C ATOM 539 CG LEU A 34 1.079 -4.826 3.024 1.00 0.00 C ATOM 540 CD1 LEU A 34 0.544 -4.551 1.638 1.00 0.00 C ATOM 541 CD2 LEU A 34 2.062 -3.732 3.428 1.00 0.00 C ATOM 0 H LEU A 34 -2.385 -4.073 3.735 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.031 -6.233 2.628 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.514 -3.761 3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.255 -4.957 4.988 1.00 0.00 H new ATOM 0 HG LEU A 34 1.580 -5.794 3.048 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.362 -4.585 0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.199 -5.305 1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.082 -3.564 1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.922 -3.750 2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.572 -2.761 3.363 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.396 -3.902 4.452 1.00 0.00 H new ATOM 553 N ARG A 35 -1.692 -6.483 5.849 1.00 0.00 N ATOM 554 CA ARG A 35 -1.751 -7.383 7.002 1.00 0.00 C ATOM 555 C ARG A 35 -2.572 -8.616 6.653 1.00 0.00 C ATOM 556 O ARG A 35 -2.196 -9.746 6.970 1.00 0.00 O ATOM 557 CB ARG A 35 -2.411 -6.666 8.183 1.00 0.00 C ATOM 558 CG ARG A 35 -1.594 -5.430 8.578 1.00 0.00 C ATOM 559 CD ARG A 35 -2.407 -4.575 9.554 1.00 0.00 C ATOM 560 NE ARG A 35 -2.766 -5.360 10.732 1.00 0.00 N ATOM 561 CZ ARG A 35 -2.704 -4.844 11.953 1.00 0.00 C ATOM 562 NH1 ARG A 35 -3.640 -4.038 12.368 1.00 0.00 N ATOM 563 NH2 ARG A 35 -1.709 -5.142 12.736 1.00 0.00 N ATOM 0 H ARG A 35 -2.085 -5.557 6.020 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.737 -7.680 7.270 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.426 -6.370 7.917 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.490 -7.345 9.032 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.654 -5.734 9.039 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.341 -4.849 7.691 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.828 -3.701 9.853 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.309 -4.208 9.064 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.071 -6.326 10.614 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.420 -3.804 11.754 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.592 -3.641 13.307 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.976 -5.773 12.412 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.662 -4.745 13.674 1.00 0.00 H new ATOM 577 N ASP A 36 -3.688 -8.367 5.978 1.00 0.00 N ATOM 578 CA ASP A 36 -4.589 -9.427 5.543 1.00 0.00 C ATOM 579 C ASP A 36 -3.902 -10.313 4.512 1.00 0.00 C ATOM 580 O ASP A 36 -4.089 -11.531 4.489 1.00 0.00 O ATOM 581 CB ASP A 36 -5.849 -8.798 4.945 1.00 0.00 C ATOM 582 CG ASP A 36 -6.587 -7.988 6.010 1.00 0.00 C ATOM 583 OD1 ASP A 36 -7.191 -8.596 6.878 1.00 0.00 O ATOM 584 OD2 ASP A 36 -6.537 -6.771 5.942 1.00 0.00 O ATOM 0 H ASP A 36 -3.993 -7.429 5.718 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.862 -10.046 6.398 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.581 -8.154 4.108 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.502 -9.577 4.552 1.00 0.00 H new ATOM 589 N ASP A 37 -3.095 -9.670 3.678 1.00 0.00 N ATOM 590 CA ASP A 37 -2.342 -10.353 2.634 1.00 0.00 C ATOM 591 C ASP A 37 -1.272 -9.415 2.083 1.00 0.00 C ATOM 592 O ASP A 37 -1.566 -8.510 1.297 1.00 0.00 O ATOM 593 CB ASP A 37 -3.275 -10.822 1.507 1.00 0.00 C ATOM 594 CG ASP A 37 -2.585 -11.864 0.608 1.00 0.00 C ATOM 595 OD1 ASP A 37 -1.376 -12.029 0.712 1.00 0.00 O ATOM 596 OD2 ASP A 37 -3.281 -12.477 -0.184 1.00 0.00 O ATOM 0 H ASP A 37 -2.944 -8.662 3.706 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.863 -11.234 3.062 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.180 -11.251 1.936 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.582 -9.966 0.906 1.00 0.00 H new ATOM 601 N PRO A 38 -0.043 -9.605 2.501 1.00 0.00 N ATOM 602 CA PRO A 38 1.094 -8.754 2.067 1.00 0.00 C ATOM 603 C PRO A 38 1.520 -8.999 0.621 1.00 0.00 C ATOM 604 O PRO A 38 2.141 -8.133 0.003 1.00 0.00 O ATOM 605 CB PRO A 38 2.221 -9.094 3.042 1.00 0.00 C ATOM 606 CG PRO A 38 1.687 -10.099 4.013 1.00 0.00 C ATOM 607 CD PRO A 38 0.402 -10.655 3.430 1.00 0.00 C ATOM 0 HA PRO A 38 0.818 -7.700 2.085 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.082 -9.497 2.508 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.560 -8.199 3.564 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.411 -10.897 4.176 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.500 -9.635 4.981 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.572 -11.600 2.914 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.340 -10.844 4.205 1.00 0.00 H new ATOM 615 N SER A 39 1.173 -10.168 0.081 1.00 0.00 N ATOM 616 CA SER A 39 1.520 -10.493 -1.302 1.00 0.00 C ATOM 617 C SER A 39 0.757 -9.570 -2.244 1.00 0.00 C ATOM 618 O SER A 39 1.159 -9.352 -3.388 1.00 0.00 O ATOM 619 CB SER A 39 1.179 -11.955 -1.612 1.00 0.00 C ATOM 620 OG SER A 39 -0.230 -12.101 -1.744 1.00 0.00 O ATOM 0 H SER A 39 0.658 -10.898 0.574 1.00 0.00 H new ATOM 0 HA SER A 39 2.592 -10.353 -1.442 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.674 -12.267 -2.531 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.548 -12.601 -0.816 1.00 0.00 H new ATOM 0 HG SER A 39 -0.633 -12.205 -0.857 1.00 0.00 H new ATOM 626 N GLN A 40 -0.352 -9.038 -1.735 1.00 0.00 N ATOM 627 CA GLN A 40 -1.200 -8.138 -2.501 1.00 0.00 C ATOM 628 C GLN A 40 -0.659 -6.726 -2.492 1.00 0.00 C ATOM 629 O GLN A 40 -1.229 -5.868 -3.139 1.00 0.00 O ATOM 630 CB GLN A 40 -2.621 -8.120 -1.916 1.00 0.00 C ATOM 631 CG GLN A 40 -3.140 -9.549 -1.731 1.00 0.00 C ATOM 632 CD GLN A 40 -3.177 -10.291 -3.065 1.00 0.00 C ATOM 633 OE1 GLN A 40 -3.735 -9.791 -4.043 1.00 0.00 O ATOM 634 NE2 GLN A 40 -2.612 -11.461 -3.163 1.00 0.00 N ATOM 0 H GLN A 40 -0.683 -9.219 -0.787 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.218 -8.505 -3.527 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.620 -7.600 -0.958 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.287 -7.567 -2.579 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.500 -10.085 -1.030 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.139 -9.524 -1.296 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.150 -11.874 -2.353 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.631 -11.964 -4.050 1.00 0.00 H new ATOM 643 N SER A 41 0.430 -6.490 -1.758 1.00 0.00 N ATOM 644 CA SER A 41 1.004 -5.153 -1.637 1.00 0.00 C ATOM 645 C SER A 41 0.988 -4.382 -2.949 1.00 0.00 C ATOM 646 O SER A 41 0.654 -3.205 -2.951 1.00 0.00 O ATOM 647 CB SER A 41 2.452 -5.277 -1.156 1.00 0.00 C ATOM 648 OG SER A 41 3.109 -6.299 -1.896 1.00 0.00 O ATOM 0 H SER A 41 0.931 -7.210 -1.238 1.00 0.00 H new ATOM 0 HA SER A 41 0.392 -4.600 -0.925 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.972 -4.328 -1.285 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.475 -5.511 -0.092 1.00 0.00 H new ATOM 0 HG SER A 41 2.961 -7.165 -1.461 1.00 0.00 H new ATOM 654 N ALA A 42 1.304 -5.043 -4.053 1.00 0.00 N ATOM 655 CA ALA A 42 1.295 -4.385 -5.349 1.00 0.00 C ATOM 656 C ALA A 42 -0.123 -3.968 -5.734 1.00 0.00 C ATOM 657 O ALA A 42 -0.333 -2.923 -6.347 1.00 0.00 O ATOM 658 CB ALA A 42 1.857 -5.331 -6.400 1.00 0.00 C ATOM 0 H ALA A 42 1.568 -6.028 -4.077 1.00 0.00 H new ATOM 0 HA ALA A 42 1.913 -3.489 -5.292 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.851 -4.839 -7.373 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.879 -5.602 -6.136 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.244 -6.231 -6.445 1.00 0.00 H new ATOM 664 N ASN A 43 -1.088 -4.795 -5.348 1.00 0.00 N ATOM 665 CA ASN A 43 -2.488 -4.533 -5.608 1.00 0.00 C ATOM 666 C ASN A 43 -2.964 -3.393 -4.722 1.00 0.00 C ATOM 667 O ASN A 43 -3.717 -2.529 -5.136 1.00 0.00 O ATOM 668 CB ASN A 43 -3.305 -5.791 -5.332 1.00 0.00 C ATOM 669 CG ASN A 43 -4.665 -5.730 -6.026 1.00 0.00 C ATOM 670 OD1 ASN A 43 -5.136 -4.657 -6.409 1.00 0.00 O ATOM 671 ND2 ASN A 43 -5.325 -6.835 -6.214 1.00 0.00 N ATOM 0 H ASN A 43 -0.915 -5.666 -4.846 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.619 -4.250 -6.652 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.756 -6.667 -5.678 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.447 -5.907 -4.258 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.233 -6.814 -6.679 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.935 -7.722 -5.897 1.00 0.00 H new ATOM 678 N LEU A 44 -2.476 -3.419 -3.491 1.00 0.00 N ATOM 679 CA LEU A 44 -2.779 -2.416 -2.491 1.00 0.00 C ATOM 680 C LEU A 44 -2.191 -1.129 -2.980 1.00 0.00 C ATOM 681 O LEU A 44 -2.800 -0.071 -2.889 1.00 0.00 O ATOM 682 CB LEU A 44 -2.198 -2.896 -1.152 1.00 0.00 C ATOM 683 CG LEU A 44 -2.684 -4.342 -0.953 1.00 0.00 C ATOM 684 CD1 LEU A 44 -2.265 -4.929 0.368 1.00 0.00 C ATOM 685 CD2 LEU A 44 -4.182 -4.386 -1.059 1.00 0.00 C ATOM 0 H LEU A 44 -1.849 -4.151 -3.157 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.846 -2.258 -2.333 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.109 -2.852 -1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.533 -2.259 -0.334 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.219 -4.943 -1.735 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.639 -5.950 0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.177 -4.934 0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.676 -4.328 1.180 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.527 -5.410 -0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.620 -3.747 -0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.488 -4.033 -2.044 1.00 0.00 H new ATOM 697 N LEU A 45 -1.032 -1.285 -3.600 1.00 0.00 N ATOM 698 CA LEU A 45 -0.346 -0.194 -4.247 1.00 0.00 C ATOM 699 C LEU A 45 -1.234 0.312 -5.359 1.00 0.00 C ATOM 700 O LEU A 45 -1.400 1.505 -5.558 1.00 0.00 O ATOM 701 CB LEU A 45 0.923 -0.720 -4.926 1.00 0.00 C ATOM 702 CG LEU A 45 2.191 -0.208 -4.297 1.00 0.00 C ATOM 703 CD1 LEU A 45 2.126 1.313 -4.097 1.00 0.00 C ATOM 704 CD2 LEU A 45 2.338 -0.987 -3.003 1.00 0.00 C ATOM 0 H LEU A 45 -0.544 -2.178 -3.665 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.109 0.575 -3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.922 -1.809 -4.889 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.908 -0.437 -5.978 1.00 0.00 H new ATOM 0 HG LEU A 45 3.068 -0.361 -4.926 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.053 1.660 -3.641 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.991 1.801 -5.062 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.287 1.559 -3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.243 -0.668 -2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.473 -0.802 -2.366 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.404 -2.052 -3.225 1.00 0.00 H new ATOM 716 N ALA A 46 -1.783 -0.662 -6.083 1.00 0.00 N ATOM 717 CA ALA A 46 -2.651 -0.403 -7.219 1.00 0.00 C ATOM 718 C ALA A 46 -3.870 0.357 -6.766 1.00 0.00 C ATOM 719 O ALA A 46 -4.247 1.371 -7.343 1.00 0.00 O ATOM 720 CB ALA A 46 -3.102 -1.736 -7.817 1.00 0.00 C ATOM 0 H ALA A 46 -1.635 -1.653 -5.894 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.107 0.182 -7.961 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.754 -1.550 -8.670 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.230 -2.302 -8.144 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.644 -2.308 -7.064 1.00 0.00 H new ATOM 726 N GLU A 47 -4.440 -0.142 -5.689 1.00 0.00 N ATOM 727 CA GLU A 47 -5.584 0.454 -5.075 1.00 0.00 C ATOM 728 C GLU A 47 -5.206 1.826 -4.561 1.00 0.00 C ATOM 729 O GLU A 47 -6.012 2.756 -4.543 1.00 0.00 O ATOM 730 CB GLU A 47 -5.992 -0.437 -3.925 1.00 0.00 C ATOM 731 CG GLU A 47 -6.671 -1.726 -4.431 1.00 0.00 C ATOM 732 CD GLU A 47 -7.843 -1.404 -5.364 1.00 0.00 C ATOM 733 OE1 GLU A 47 -8.705 -0.634 -4.969 1.00 0.00 O ATOM 734 OE2 GLU A 47 -7.860 -1.935 -6.462 1.00 0.00 O ATOM 0 H GLU A 47 -4.109 -0.984 -5.218 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.407 0.560 -5.782 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.114 -0.694 -3.332 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.674 0.102 -3.268 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.942 -2.342 -4.958 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.028 -2.310 -3.582 1.00 0.00 H new ATOM 741 N ALA A 48 -3.950 1.927 -4.163 1.00 0.00 N ATOM 742 CA ALA A 48 -3.405 3.167 -3.667 1.00 0.00 C ATOM 743 C ALA A 48 -3.294 4.154 -4.805 1.00 0.00 C ATOM 744 O ALA A 48 -3.692 5.309 -4.678 1.00 0.00 O ATOM 745 CB ALA A 48 -2.018 2.926 -3.086 1.00 0.00 C ATOM 0 H ALA A 48 -3.286 1.153 -4.176 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.062 3.562 -2.892 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.611 3.866 -2.713 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.086 2.210 -2.267 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.363 2.530 -3.861 1.00 0.00 H new ATOM 751 N LYS A 49 -2.780 3.665 -5.933 1.00 0.00 N ATOM 752 CA LYS A 49 -2.644 4.488 -7.121 1.00 0.00 C ATOM 753 C LYS A 49 -4.029 4.930 -7.532 1.00 0.00 C ATOM 754 O LYS A 49 -4.234 6.046 -7.987 1.00 0.00 O ATOM 755 CB LYS A 49 -2.028 3.689 -8.277 1.00 0.00 C ATOM 756 CG LYS A 49 -0.626 3.138 -7.934 1.00 0.00 C ATOM 757 CD LYS A 49 0.124 4.064 -6.975 1.00 0.00 C ATOM 758 CE LYS A 49 1.551 3.545 -6.763 1.00 0.00 C ATOM 759 NZ LYS A 49 2.129 4.155 -5.531 1.00 0.00 N ATOM 0 H LYS A 49 -2.453 2.705 -6.043 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.995 5.335 -6.900 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.688 2.860 -8.534 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.959 4.326 -9.159 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.723 2.150 -7.485 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.048 3.017 -8.850 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.151 5.076 -7.379 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.400 4.116 -6.020 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.544 2.459 -6.674 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.170 3.790 -7.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.948 3.595 -5.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.433 5.129 -5.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.410 4.167 -4.780 1.00 0.00 H new ATOM 773 N LYS A 50 -4.975 4.015 -7.335 1.00 0.00 N ATOM 774 CA LYS A 50 -6.372 4.273 -7.653 1.00 0.00 C ATOM 775 C LYS A 50 -6.930 5.351 -6.741 1.00 0.00 C ATOM 776 O LYS A 50 -7.651 6.244 -7.192 1.00 0.00 O ATOM 777 CB LYS A 50 -7.196 2.983 -7.534 1.00 0.00 C ATOM 778 CG LYS A 50 -6.925 2.085 -8.748 1.00 0.00 C ATOM 779 CD LYS A 50 -7.702 0.772 -8.601 1.00 0.00 C ATOM 780 CE LYS A 50 -7.284 -0.203 -9.706 1.00 0.00 C ATOM 781 NZ LYS A 50 -7.534 -1.602 -9.257 1.00 0.00 N ATOM 0 H LYS A 50 -4.796 3.086 -6.955 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.436 4.626 -8.682 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.937 2.457 -6.615 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.258 3.222 -7.476 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.223 2.595 -9.664 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.858 1.880 -8.830 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.509 0.332 -7.623 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.773 0.964 -8.659 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.844 0.003 -10.618 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.229 -0.069 -9.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.741 -2.208 -9.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.622 -1.624 -8.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.414 -1.952 -9.686 1.00 0.00 H new ATOM 795 N LEU A 51 -6.564 5.283 -5.462 1.00 0.00 N ATOM 796 CA LEU A 51 -7.017 6.290 -4.505 1.00 0.00 C ATOM 797 C LEU A 51 -6.323 7.609 -4.804 1.00 0.00 C ATOM 798 O LEU A 51 -6.959 8.661 -4.862 1.00 0.00 O ATOM 799 CB LEU A 51 -6.743 5.846 -3.051 1.00 0.00 C ATOM 800 CG LEU A 51 -8.070 5.492 -2.351 1.00 0.00 C ATOM 801 CD1 LEU A 51 -8.976 6.731 -2.270 1.00 0.00 C ATOM 802 CD2 LEU A 51 -8.788 4.374 -3.130 1.00 0.00 C ATOM 0 H LEU A 51 -5.966 4.555 -5.070 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.095 6.414 -4.607 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.077 4.983 -3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.237 6.644 -2.507 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.853 5.147 -1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.910 6.467 -1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.472 7.514 -1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.189 7.092 -3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.725 4.127 -2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.995 4.713 -4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.152 3.489 -3.166 1.00 0.00 H new ATOM 814 N ASN A 52 -5.014 7.527 -5.013 1.00 0.00 N ATOM 815 CA ASN A 52 -4.209 8.698 -5.334 1.00 0.00 C ATOM 816 C ASN A 52 -4.662 9.339 -6.638 1.00 0.00 C ATOM 817 O ASN A 52 -4.795 10.552 -6.719 1.00 0.00 O ATOM 818 CB ASN A 52 -2.761 8.267 -5.479 1.00 0.00 C ATOM 819 CG ASN A 52 -1.868 9.453 -5.808 1.00 0.00 C ATOM 820 OD1 ASN A 52 -1.414 10.154 -4.910 1.00 0.00 O ATOM 821 ND2 ASN A 52 -1.589 9.725 -7.053 1.00 0.00 N ATOM 0 H ASN A 52 -4.486 6.656 -4.965 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.323 9.428 -4.533 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.423 7.799 -4.554 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.679 7.516 -6.265 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.993 10.521 -7.280 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.967 9.142 -7.800 1.00 0.00 H new ATOM 828 N ASP A 53 -4.882 8.504 -7.655 1.00 0.00 N ATOM 829 CA ASP A 53 -5.312 8.982 -8.965 1.00 0.00 C ATOM 830 C ASP A 53 -6.636 9.707 -8.839 1.00 0.00 C ATOM 831 O ASP A 53 -6.837 10.782 -9.407 1.00 0.00 O ATOM 832 CB ASP A 53 -5.449 7.804 -9.939 1.00 0.00 C ATOM 833 CG ASP A 53 -5.891 8.306 -11.314 1.00 0.00 C ATOM 834 OD1 ASP A 53 -5.041 8.776 -12.053 1.00 0.00 O ATOM 835 OD2 ASP A 53 -7.073 8.223 -11.602 1.00 0.00 O ATOM 0 H ASP A 53 -4.769 7.492 -7.594 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.563 9.673 -9.353 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.497 7.280 -10.024 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.175 7.087 -9.555 1.00 0.00 H new ATOM 840 N ALA A 54 -7.515 9.108 -8.059 1.00 0.00 N ATOM 841 CA ALA A 54 -8.823 9.671 -7.797 1.00 0.00 C ATOM 842 C ALA A 54 -8.669 10.973 -7.020 1.00 0.00 C ATOM 843 O ALA A 54 -9.466 11.900 -7.170 1.00 0.00 O ATOM 844 CB ALA A 54 -9.650 8.680 -6.983 1.00 0.00 C ATOM 0 H ALA A 54 -7.342 8.219 -7.590 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.329 9.872 -8.741 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.635 9.104 -6.786 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.760 7.751 -7.543 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.147 8.476 -6.038 1.00 0.00 H new ATOM 850 N GLN A 55 -7.625 11.021 -6.189 1.00 0.00 N ATOM 851 CA GLN A 55 -7.339 12.198 -5.376 1.00 0.00 C ATOM 852 C GLN A 55 -6.391 13.151 -6.103 1.00 0.00 C ATOM 853 O GLN A 55 -6.085 14.237 -5.606 1.00 0.00 O ATOM 854 CB GLN A 55 -6.728 11.736 -4.054 1.00 0.00 C ATOM 855 CG GLN A 55 -7.830 11.143 -3.179 1.00 0.00 C ATOM 856 CD GLN A 55 -7.212 10.546 -1.933 1.00 0.00 C ATOM 857 OE1 GLN A 55 -7.337 11.108 -0.846 1.00 0.00 O ATOM 858 NE2 GLN A 55 -6.535 9.439 -2.035 1.00 0.00 N ATOM 0 H GLN A 55 -6.964 10.254 -6.064 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.264 12.743 -5.188 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.952 10.993 -4.237 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.253 12.575 -3.545 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.550 11.915 -2.908 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -8.376 10.378 -3.731 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.438 8.982 -2.942 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.101 9.028 -1.208 1.00 0.00 H new ATOM 867 N ALA A 56 -5.935 12.731 -7.284 1.00 0.00 N ATOM 868 CA ALA A 56 -5.022 13.537 -8.087 1.00 0.00 C ATOM 869 C ALA A 56 -5.797 14.376 -9.090 1.00 0.00 C ATOM 870 O ALA A 56 -6.801 13.923 -9.645 1.00 0.00 O ATOM 871 CB ALA A 56 -4.038 12.630 -8.829 1.00 0.00 C ATOM 0 H ALA A 56 -6.185 11.836 -7.704 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.470 14.201 -7.422 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.360 13.240 -9.426 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.463 12.049 -8.107 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.589 11.954 -9.483 1.00 0.00 H new ATOM 877 N PRO A 57 -5.345 15.588 -9.327 1.00 0.00 N ATOM 878 CA PRO A 57 -6.000 16.518 -10.283 1.00 0.00 C ATOM 879 C PRO A 57 -6.203 15.882 -11.657 1.00 0.00 C ATOM 880 O PRO A 57 -5.462 14.980 -12.053 1.00 0.00 O ATOM 881 CB PRO A 57 -5.047 17.709 -10.393 1.00 0.00 C ATOM 882 CG PRO A 57 -3.862 17.424 -9.535 1.00 0.00 C ATOM 883 CD PRO A 57 -4.167 16.196 -8.690 1.00 0.00 C ATOM 0 HA PRO A 57 -6.993 16.799 -9.933 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.742 17.860 -11.428 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.541 18.625 -10.070 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.980 17.251 -10.151 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.642 18.279 -8.896 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.324 15.505 -8.676 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.373 16.469 -7.655 1.00 0.00 H new ATOM 891 N LYS A 58 -7.211 16.374 -12.369 1.00 0.00 N ATOM 892 CA LYS A 58 -7.540 15.877 -13.710 1.00 0.00 C ATOM 893 C LYS A 58 -7.940 17.038 -14.622 1.00 0.00 C ATOM 894 O LYS A 58 -8.684 17.895 -14.172 1.00 0.00 O ATOM 895 CB LYS A 58 -8.695 14.860 -13.639 1.00 0.00 C ATOM 896 CG LYS A 58 -8.329 13.674 -12.726 1.00 0.00 C ATOM 897 CD LYS A 58 -7.252 12.800 -13.391 1.00 0.00 C ATOM 898 CE LYS A 58 -6.790 11.706 -12.420 1.00 0.00 C ATOM 899 NZ LYS A 58 -7.961 10.905 -11.966 1.00 0.00 N ATOM 900 OXT LYS A 58 -7.497 17.052 -15.760 1.00 0.00 O ATOM 0 H LYS A 58 -7.822 17.122 -12.041 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.657 15.386 -14.118 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.593 15.350 -13.263 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.926 14.496 -14.640 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.966 14.043 -11.767 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.217 13.076 -12.522 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.649 12.347 -14.299 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.403 13.417 -13.687 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.062 11.058 -12.908 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.291 12.156 -11.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.713 9.895 -11.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.226 11.193 -11.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.763 11.068 -12.608 1.00 0.00 H new TER 914 LYS A 58