USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 526 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -7.85! C(o=-7.9!,f=-22!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.0232 X(o=-0.023,f=-0.084) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HE2:sc= -0.522 K(o=-0.52,f=-1.2) USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -1.68 X(o=-1.7,f=-1.8!) USER MOD Single : A 30 LYS NZ :NH3+ 167:sc= 0.0783 (180deg=0.0436) USER MOD Single : A 35 SER OG : rot -61:sc= 1.19 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 147:sc= -1.91! USER MOD Single : A 49 CYS SG : rot 46:sc= 0.561 USER MOD Single : A 50 GLN : amide:sc= -0.174 X(o=-0.17,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -133:sc= -2.57 (180deg=-4.22!) USER MOD Single : A 53 TYR OH : rot 44:sc= -0.301! USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -2! C(o=-2!,f=-6.2!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -2:sc= 0.74 USER MOD Single : A 63 GLN : amide:sc= -0.0149 X(o=-0.015,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HE2:sc= -0.342 X(o=-0.34,f=-0.69) USER MOD Single : A 67 THR OG1 : rot 24:sc= 0.812 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.962 7.685 -4.396 1.00 0.00 N ATOM 2 CA GLY A 1 16.584 8.085 -4.168 1.00 0.00 C ATOM 3 C GLY A 1 15.637 7.361 -5.127 1.00 0.00 C ATOM 4 O GLY A 1 15.389 7.834 -6.235 1.00 0.00 O ATOM 0 H1 GLY A 1 18.584 8.190 -3.733 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.055 6.660 -4.246 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.234 7.918 -5.372 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.303 7.864 -3.138 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.488 9.163 -4.301 1.00 0.00 H new ATOM 8 N SER A 2 15.134 6.225 -4.665 1.00 0.00 N ATOM 9 CA SER A 2 14.220 5.431 -5.468 1.00 0.00 C ATOM 10 C SER A 2 13.667 4.271 -4.637 1.00 0.00 C ATOM 11 O SER A 2 14.120 3.136 -4.771 1.00 0.00 O ATOM 12 CB SER A 2 14.910 4.901 -6.726 1.00 0.00 C ATOM 13 OG SER A 2 14.030 4.876 -7.847 1.00 0.00 O ATOM 0 H SER A 2 15.342 5.836 -3.745 1.00 0.00 H new ATOM 0 HA SER A 2 13.395 6.071 -5.782 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.773 5.525 -6.956 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.285 3.895 -6.537 1.00 0.00 H new ATOM 0 HG SER A 2 14.508 4.533 -8.631 1.00 0.00 H new ATOM 19 N SER A 3 12.695 4.597 -3.797 1.00 0.00 N ATOM 20 CA SER A 3 12.075 3.597 -2.945 1.00 0.00 C ATOM 21 C SER A 3 13.113 3.012 -1.985 1.00 0.00 C ATOM 22 O SER A 3 14.040 2.324 -2.410 1.00 0.00 O ATOM 23 CB SER A 3 11.436 2.484 -3.778 1.00 0.00 C ATOM 24 OG SER A 3 10.604 3.002 -4.812 1.00 0.00 O ATOM 0 H SER A 3 12.322 5.540 -3.689 1.00 0.00 H new ATOM 0 HA SER A 3 11.287 4.080 -2.368 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.218 1.866 -4.218 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.846 1.838 -3.128 1.00 0.00 H new ATOM 0 HG SER A 3 10.216 2.261 -5.322 1.00 0.00 H new ATOM 30 N GLY A 4 12.923 3.308 -0.707 1.00 0.00 N ATOM 31 CA GLY A 4 13.831 2.820 0.317 1.00 0.00 C ATOM 32 C GLY A 4 13.836 1.291 0.362 1.00 0.00 C ATOM 33 O GLY A 4 13.200 0.640 -0.466 1.00 0.00 O ATOM 0 H GLY A 4 12.154 3.880 -0.358 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.839 3.185 0.118 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.535 3.215 1.289 1.00 0.00 H new ATOM 37 N SER A 5 14.560 0.762 1.338 1.00 0.00 N ATOM 38 CA SER A 5 14.656 -0.679 1.502 1.00 0.00 C ATOM 39 C SER A 5 13.556 -1.172 2.444 1.00 0.00 C ATOM 40 O SER A 5 13.796 -1.372 3.634 1.00 0.00 O ATOM 41 CB SER A 5 16.032 -1.082 2.035 1.00 0.00 C ATOM 42 OG SER A 5 16.635 -2.100 1.241 1.00 0.00 O ATOM 0 H SER A 5 15.085 1.305 2.023 1.00 0.00 H new ATOM 0 HA SER A 5 14.525 -1.144 0.525 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.682 -0.207 2.058 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.934 -1.434 3.062 1.00 0.00 H new ATOM 0 HG SER A 5 17.512 -2.328 1.613 1.00 0.00 H new ATOM 48 N SER A 6 12.373 -1.355 1.877 1.00 0.00 N ATOM 49 CA SER A 6 11.235 -1.821 2.651 1.00 0.00 C ATOM 50 C SER A 6 10.246 -2.551 1.741 1.00 0.00 C ATOM 51 O SER A 6 9.347 -1.933 1.172 1.00 0.00 O ATOM 52 CB SER A 6 10.541 -0.659 3.365 1.00 0.00 C ATOM 53 OG SER A 6 9.289 -1.047 3.924 1.00 0.00 O ATOM 0 H SER A 6 12.178 -1.189 0.890 1.00 0.00 H new ATOM 0 HA SER A 6 11.599 -2.513 3.410 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.189 -0.280 4.155 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.386 0.158 2.661 1.00 0.00 H new ATOM 0 HG SER A 6 8.878 -0.278 4.372 1.00 0.00 H new ATOM 59 N GLY A 7 10.445 -3.857 1.631 1.00 0.00 N ATOM 60 CA GLY A 7 9.582 -4.678 0.799 1.00 0.00 C ATOM 61 C GLY A 7 9.211 -3.948 -0.494 1.00 0.00 C ATOM 62 O GLY A 7 9.930 -3.053 -0.934 1.00 0.00 O ATOM 0 H GLY A 7 11.191 -4.366 2.104 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.085 -5.615 0.560 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.676 -4.934 1.349 1.00 0.00 H new ATOM 66 N ASP A 8 8.087 -4.358 -1.065 1.00 0.00 N ATOM 67 CA ASP A 8 7.612 -3.754 -2.299 1.00 0.00 C ATOM 68 C ASP A 8 6.084 -3.681 -2.269 1.00 0.00 C ATOM 69 O ASP A 8 5.454 -4.159 -1.328 1.00 0.00 O ATOM 70 CB ASP A 8 8.022 -4.589 -3.514 1.00 0.00 C ATOM 71 CG ASP A 8 9.134 -3.980 -4.371 1.00 0.00 C ATOM 72 OD1 ASP A 8 10.279 -3.945 -3.873 1.00 0.00 O ATOM 73 OD2 ASP A 8 8.812 -3.564 -5.505 1.00 0.00 O ATOM 0 H ASP A 8 7.492 -5.100 -0.696 1.00 0.00 H new ATOM 0 HA ASP A 8 8.052 -2.760 -2.380 1.00 0.00 H new ATOM 0 HB2 ASP A 8 8.346 -5.571 -3.169 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.145 -4.745 -4.141 1.00 0.00 H new ATOM 78 N LYS A 9 5.533 -3.077 -3.312 1.00 0.00 N ATOM 79 CA LYS A 9 4.090 -2.934 -3.418 1.00 0.00 C ATOM 80 C LYS A 9 3.446 -4.322 -3.444 1.00 0.00 C ATOM 81 O LYS A 9 4.025 -5.289 -2.952 1.00 0.00 O ATOM 82 CB LYS A 9 3.725 -2.063 -4.621 1.00 0.00 C ATOM 83 CG LYS A 9 2.758 -0.948 -4.217 1.00 0.00 C ATOM 84 CD LYS A 9 1.633 -0.800 -5.243 1.00 0.00 C ATOM 85 CE LYS A 9 0.273 -1.110 -4.613 1.00 0.00 C ATOM 86 NZ LYS A 9 -0.764 -1.245 -5.660 1.00 0.00 N ATOM 0 H LYS A 9 6.059 -2.681 -4.091 1.00 0.00 H new ATOM 0 HA LYS A 9 3.693 -2.414 -2.546 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.629 -1.628 -5.048 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.271 -2.680 -5.397 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.335 -1.166 -3.237 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.300 -0.006 -4.128 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.631 0.214 -5.642 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.811 -1.472 -6.083 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.335 -2.031 -4.034 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.003 -0.315 -3.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.681 -1.455 -5.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.835 -0.356 -6.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.507 -2.019 -6.306 1.00 0.00 H new ATOM 100 N GLU A 10 2.256 -4.375 -4.025 1.00 0.00 N ATOM 101 CA GLU A 10 1.527 -5.628 -4.123 1.00 0.00 C ATOM 102 C GLU A 10 2.387 -6.691 -4.809 1.00 0.00 C ATOM 103 O GLU A 10 3.463 -6.388 -5.322 1.00 0.00 O ATOM 104 CB GLU A 10 0.201 -5.435 -4.862 1.00 0.00 C ATOM 105 CG GLU A 10 -0.981 -5.484 -3.891 1.00 0.00 C ATOM 106 CD GLU A 10 -2.310 -5.373 -4.639 1.00 0.00 C ATOM 107 OE1 GLU A 10 -2.405 -5.991 -5.722 1.00 0.00 O ATOM 108 OE2 GLU A 10 -3.202 -4.673 -4.112 1.00 0.00 O ATOM 0 H GLU A 10 1.779 -3.571 -4.432 1.00 0.00 H new ATOM 0 HA GLU A 10 1.297 -5.971 -3.114 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.208 -4.478 -5.384 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.086 -6.211 -5.619 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.954 -6.416 -3.327 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.897 -4.672 -3.169 1.00 0.00 H new ATOM 115 N TRP A 11 1.880 -7.915 -4.796 1.00 0.00 N ATOM 116 CA TRP A 11 2.589 -9.025 -5.410 1.00 0.00 C ATOM 117 C TRP A 11 2.225 -9.054 -6.896 1.00 0.00 C ATOM 118 O TRP A 11 1.484 -8.196 -7.374 1.00 0.00 O ATOM 119 CB TRP A 11 2.277 -10.340 -4.692 1.00 0.00 C ATOM 120 CG TRP A 11 2.807 -10.407 -3.258 1.00 0.00 C ATOM 121 CD1 TRP A 11 3.291 -9.407 -2.510 1.00 0.00 C ATOM 122 CD2 TRP A 11 2.886 -11.583 -2.426 1.00 0.00 C ATOM 123 NE1 TRP A 11 3.676 -9.850 -1.261 1.00 0.00 N ATOM 124 CE2 TRP A 11 3.422 -11.215 -1.208 1.00 0.00 C ATOM 125 CE3 TRP A 11 2.518 -12.913 -2.692 1.00 0.00 C ATOM 126 CZ2 TRP A 11 3.637 -12.119 -0.161 1.00 0.00 C ATOM 127 CZ3 TRP A 11 2.740 -13.805 -1.636 1.00 0.00 C ATOM 128 CH2 TRP A 11 3.278 -13.450 -0.404 1.00 0.00 C ATOM 0 H TRP A 11 0.987 -8.163 -4.370 1.00 0.00 H new ATOM 0 HA TRP A 11 3.667 -8.892 -5.318 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.197 -10.486 -4.676 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.702 -11.164 -5.264 1.00 0.00 H new ATOM 0 HD1 TRP A 11 3.370 -8.383 -2.843 1.00 0.00 H new ATOM 0 HE1 TRP A 11 4.074 -9.280 -0.514 1.00 0.00 H new ATOM 0 HE3 TRP A 11 2.097 -13.223 -3.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.057 -11.806 0.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.475 -14.841 -1.789 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.418 -14.198 0.362 1.00 0.00 H new ATOM 139 N ASN A 12 2.761 -10.051 -7.585 1.00 0.00 N ATOM 140 CA ASN A 12 2.502 -10.203 -9.006 1.00 0.00 C ATOM 141 C ASN A 12 1.781 -11.530 -9.249 1.00 0.00 C ATOM 142 O ASN A 12 1.798 -12.415 -8.396 1.00 0.00 O ATOM 143 CB ASN A 12 3.806 -10.220 -9.805 1.00 0.00 C ATOM 144 CG ASN A 12 4.809 -11.202 -9.197 1.00 0.00 C ATOM 145 OD1 ASN A 12 4.454 -12.236 -8.656 1.00 0.00 O ATOM 146 ND2 ASN A 12 6.078 -10.823 -9.316 1.00 0.00 N ATOM 0 H ASN A 12 3.374 -10.762 -7.185 1.00 0.00 H new ATOM 0 HA ASN A 12 1.892 -9.360 -9.330 1.00 0.00 H new ATOM 0 HB2 ASN A 12 3.600 -10.499 -10.838 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.238 -9.219 -9.825 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.823 -11.411 -8.942 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.306 -9.944 -9.781 1.00 0.00 H new ATOM 153 N GLU A 13 1.165 -11.627 -10.419 1.00 0.00 N ATOM 154 CA GLU A 13 0.440 -12.831 -10.785 1.00 0.00 C ATOM 155 C GLU A 13 1.263 -14.073 -10.436 1.00 0.00 C ATOM 156 O GLU A 13 0.758 -14.998 -9.802 1.00 0.00 O ATOM 157 CB GLU A 13 0.069 -12.818 -12.269 1.00 0.00 C ATOM 158 CG GLU A 13 -0.858 -13.985 -12.614 1.00 0.00 C ATOM 159 CD GLU A 13 -1.420 -13.840 -14.029 1.00 0.00 C ATOM 160 OE1 GLU A 13 -0.691 -13.279 -14.875 1.00 0.00 O ATOM 161 OE2 GLU A 13 -2.567 -14.293 -14.233 1.00 0.00 O ATOM 0 H GLU A 13 1.154 -10.891 -11.125 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.487 -12.861 -10.213 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.420 -11.876 -12.517 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.974 -12.877 -12.874 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.312 -14.925 -12.530 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.677 -14.028 -11.896 1.00 0.00 H new ATOM 168 N LYS A 14 2.516 -14.053 -10.867 1.00 0.00 N ATOM 169 CA LYS A 14 3.413 -15.166 -10.608 1.00 0.00 C ATOM 170 C LYS A 14 3.364 -15.520 -9.120 1.00 0.00 C ATOM 171 O LYS A 14 3.222 -16.688 -8.761 1.00 0.00 O ATOM 172 CB LYS A 14 4.820 -14.850 -11.119 1.00 0.00 C ATOM 173 CG LYS A 14 5.227 -15.813 -12.236 1.00 0.00 C ATOM 174 CD LYS A 14 6.713 -16.164 -12.143 1.00 0.00 C ATOM 175 CE LYS A 14 7.564 -15.161 -12.924 1.00 0.00 C ATOM 176 NZ LYS A 14 8.706 -14.700 -12.104 1.00 0.00 N ATOM 0 H LYS A 14 2.931 -13.284 -11.393 1.00 0.00 H new ATOM 0 HA LYS A 14 3.091 -16.051 -11.157 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.855 -13.825 -11.487 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.533 -14.918 -10.297 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.630 -16.723 -12.172 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.016 -15.361 -13.205 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.023 -16.173 -11.098 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.878 -17.168 -12.534 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.930 -15.622 -13.841 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.953 -14.308 -13.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.273 -14.020 -12.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.351 -14.241 -11.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.298 -15.515 -11.844 1.00 0.00 H new ATOM 190 N GLU A 15 3.485 -14.490 -8.296 1.00 0.00 N ATOM 191 CA GLU A 15 3.457 -14.678 -6.855 1.00 0.00 C ATOM 192 C GLU A 15 2.065 -15.128 -6.406 1.00 0.00 C ATOM 193 O GLU A 15 1.931 -16.111 -5.679 1.00 0.00 O ATOM 194 CB GLU A 15 3.881 -13.401 -6.127 1.00 0.00 C ATOM 195 CG GLU A 15 5.368 -13.113 -6.347 1.00 0.00 C ATOM 196 CD GLU A 15 5.628 -11.607 -6.436 1.00 0.00 C ATOM 197 OE1 GLU A 15 4.676 -10.849 -6.149 1.00 0.00 O ATOM 198 OE2 GLU A 15 6.772 -11.249 -6.788 1.00 0.00 O ATOM 0 H GLU A 15 3.603 -13.523 -8.598 1.00 0.00 H new ATOM 0 HA GLU A 15 4.172 -15.459 -6.596 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.287 -12.560 -6.485 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.680 -13.502 -5.060 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.949 -13.538 -5.529 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.704 -13.598 -7.263 1.00 0.00 H new ATOM 205 N LEU A 16 1.064 -14.386 -6.857 1.00 0.00 N ATOM 206 CA LEU A 16 -0.313 -14.697 -6.510 1.00 0.00 C ATOM 207 C LEU A 16 -0.603 -16.159 -6.852 1.00 0.00 C ATOM 208 O LEU A 16 -0.770 -16.988 -5.959 1.00 0.00 O ATOM 209 CB LEU A 16 -1.270 -13.708 -7.179 1.00 0.00 C ATOM 210 CG LEU A 16 -1.424 -12.352 -6.487 1.00 0.00 C ATOM 211 CD1 LEU A 16 -1.821 -12.527 -5.020 1.00 0.00 C ATOM 212 CD2 LEU A 16 -0.156 -11.510 -6.641 1.00 0.00 C ATOM 0 H LEU A 16 1.179 -13.571 -7.459 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.471 -14.583 -5.438 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.928 -13.536 -8.200 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.253 -14.173 -7.246 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.232 -11.809 -6.977 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.924 -11.548 -4.552 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.771 -13.059 -4.961 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.052 -13.099 -4.501 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.293 -10.552 -6.140 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.687 -12.037 -6.193 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.042 -11.341 -7.699 1.00 0.00 H new ATOM 224 N GLN A 17 -0.653 -16.432 -8.148 1.00 0.00 N ATOM 225 CA GLN A 17 -0.920 -17.781 -8.619 1.00 0.00 C ATOM 226 C GLN A 17 -0.183 -18.802 -7.749 1.00 0.00 C ATOM 227 O GLN A 17 -0.719 -19.868 -7.449 1.00 0.00 O ATOM 228 CB GLN A 17 -0.534 -17.934 -10.091 1.00 0.00 C ATOM 229 CG GLN A 17 0.986 -18.011 -10.254 1.00 0.00 C ATOM 230 CD GLN A 17 1.367 -18.311 -11.705 1.00 0.00 C ATOM 231 OE1 GLN A 17 0.913 -17.670 -12.639 1.00 0.00 O ATOM 232 NE2 GLN A 17 2.224 -19.319 -11.842 1.00 0.00 N ATOM 0 H GLN A 17 -0.513 -15.742 -8.886 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.991 -17.969 -8.537 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -0.993 -18.834 -10.499 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.922 -17.091 -10.662 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.437 -17.069 -9.943 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.387 -18.787 -9.601 1.00 0.00 H new ATOM 0 HE21 GLN A 17 2.565 -19.814 -11.018 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.540 -19.597 -12.771 1.00 0.00 H new ATOM 241 N LYS A 18 1.033 -18.440 -7.370 1.00 0.00 N ATOM 242 CA LYS A 18 1.849 -19.312 -6.541 1.00 0.00 C ATOM 243 C LYS A 18 1.214 -19.431 -5.154 1.00 0.00 C ATOM 244 O LYS A 18 1.055 -20.534 -4.633 1.00 0.00 O ATOM 245 CB LYS A 18 3.298 -18.823 -6.514 1.00 0.00 C ATOM 246 CG LYS A 18 4.072 -19.332 -7.731 1.00 0.00 C ATOM 247 CD LYS A 18 5.580 -19.158 -7.535 1.00 0.00 C ATOM 248 CE LYS A 18 6.171 -18.248 -8.613 1.00 0.00 C ATOM 249 NZ LYS A 18 6.735 -19.054 -9.719 1.00 0.00 N ATOM 0 H LYS A 18 1.474 -17.555 -7.621 1.00 0.00 H new ATOM 0 HA LYS A 18 1.884 -20.316 -6.963 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.317 -17.733 -6.496 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.784 -19.165 -5.600 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.843 -20.384 -7.898 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.753 -18.791 -8.622 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.776 -18.735 -6.550 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.069 -20.131 -7.567 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.399 -17.581 -8.998 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.949 -17.619 -8.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.132 -18.421 -10.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.486 -19.672 -9.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.984 -19.636 -10.143 1.00 0.00 H new ATOM 263 N LEU A 19 0.867 -18.280 -4.597 1.00 0.00 N ATOM 264 CA LEU A 19 0.252 -18.242 -3.281 1.00 0.00 C ATOM 265 C LEU A 19 -1.052 -19.040 -3.308 1.00 0.00 C ATOM 266 O LEU A 19 -1.246 -19.948 -2.500 1.00 0.00 O ATOM 267 CB LEU A 19 0.078 -16.795 -2.813 1.00 0.00 C ATOM 268 CG LEU A 19 -0.769 -16.595 -1.555 1.00 0.00 C ATOM 269 CD1 LEU A 19 -0.069 -17.174 -0.324 1.00 0.00 C ATOM 270 CD2 LEU A 19 -1.132 -15.120 -1.367 1.00 0.00 C ATOM 0 H LEU A 19 1.000 -17.367 -5.033 1.00 0.00 H new ATOM 0 HA LEU A 19 0.900 -18.716 -2.544 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.066 -16.371 -2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.372 -16.223 -3.625 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.703 -17.143 -1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.693 -17.018 0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.096 -18.242 -0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.890 -16.675 -0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.734 -15.006 -0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.220 -14.530 -1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.700 -14.772 -2.230 1.00 0.00 H new ATOM 282 N HIS A 20 -1.914 -18.674 -4.246 1.00 0.00 N ATOM 283 CA HIS A 20 -3.194 -19.346 -4.389 1.00 0.00 C ATOM 284 C HIS A 20 -2.966 -20.824 -4.708 1.00 0.00 C ATOM 285 O HIS A 20 -3.437 -21.700 -3.983 1.00 0.00 O ATOM 286 CB HIS A 20 -4.063 -18.641 -5.433 1.00 0.00 C ATOM 287 CG HIS A 20 -4.416 -17.217 -5.078 1.00 0.00 C ATOM 288 ND1 HIS A 20 -5.722 -16.765 -4.999 1.00 0.00 N ATOM 289 CD2 HIS A 20 -3.621 -16.149 -4.781 1.00 0.00 C ATOM 290 CE1 HIS A 20 -5.702 -15.482 -4.670 1.00 0.00 C ATOM 291 NE2 HIS A 20 -4.399 -15.102 -4.535 1.00 0.00 N ATOM 0 H HIS A 20 -1.751 -17.921 -4.914 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.743 -19.295 -3.449 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.541 -18.647 -6.390 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -4.983 -19.210 -5.569 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -6.558 -17.325 -5.166 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.541 -16.154 -4.751 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -6.566 -14.848 -4.533 1.00 0.00 H new ATOM 299 N CYS A 21 -2.242 -21.058 -5.793 1.00 0.00 N ATOM 300 CA CYS A 21 -1.945 -22.415 -6.217 1.00 0.00 C ATOM 301 C CYS A 21 -1.577 -23.235 -4.979 1.00 0.00 C ATOM 302 O CYS A 21 -2.336 -24.108 -4.560 1.00 0.00 O ATOM 303 CB CYS A 21 -0.839 -22.449 -7.274 1.00 0.00 C ATOM 304 SG CYS A 21 -0.447 -24.181 -7.714 1.00 0.00 S ATOM 0 H CYS A 21 -1.852 -20.330 -6.391 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.824 -22.851 -6.692 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.156 -21.902 -8.162 1.00 0.00 H new ATOM 0 HB3 CYS A 21 0.053 -21.951 -6.895 1.00 0.00 H new ATOM 0 HG CYS A 21 0.492 -24.198 -8.613 1.00 0.00 H new ATOM 310 N ALA A 22 -0.413 -22.926 -4.428 1.00 0.00 N ATOM 311 CA ALA A 22 0.065 -23.623 -3.247 1.00 0.00 C ATOM 312 C ALA A 22 -1.053 -23.675 -2.203 1.00 0.00 C ATOM 313 O ALA A 22 -1.407 -24.750 -1.720 1.00 0.00 O ATOM 314 CB ALA A 22 1.323 -22.931 -2.719 1.00 0.00 C ATOM 0 H ALA A 22 0.214 -22.201 -4.778 1.00 0.00 H new ATOM 0 HA ALA A 22 0.336 -24.650 -3.492 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.681 -23.454 -1.833 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.096 -22.946 -3.487 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.089 -21.898 -2.461 1.00 0.00 H new ATOM 320 N PHE A 23 -1.578 -22.501 -1.886 1.00 0.00 N ATOM 321 CA PHE A 23 -2.648 -22.399 -0.909 1.00 0.00 C ATOM 322 C PHE A 23 -3.769 -23.393 -1.218 1.00 0.00 C ATOM 323 O PHE A 23 -4.441 -23.879 -0.310 1.00 0.00 O ATOM 324 CB PHE A 23 -3.204 -20.976 -1.001 1.00 0.00 C ATOM 325 CG PHE A 23 -4.585 -20.806 -0.366 1.00 0.00 C ATOM 326 CD1 PHE A 23 -5.706 -21.000 -1.111 1.00 0.00 C ATOM 327 CD2 PHE A 23 -4.692 -20.459 0.945 1.00 0.00 C ATOM 328 CE1 PHE A 23 -6.988 -20.842 -0.521 1.00 0.00 C ATOM 329 CE2 PHE A 23 -5.974 -20.300 1.535 1.00 0.00 C ATOM 330 CZ PHE A 23 -7.095 -20.495 0.789 1.00 0.00 C ATOM 0 H PHE A 23 -1.282 -21.612 -2.289 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.265 -22.622 0.087 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.506 -20.292 -0.517 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -3.259 -20.686 -2.050 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -5.621 -21.274 -2.152 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.802 -20.304 1.537 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.878 -20.997 -1.113 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -6.059 -20.024 2.576 1.00 0.00 H new ATOM 0 HZ PHE A 23 -8.070 -20.374 1.238 1.00 0.00 H new ATOM 340 N ALA A 24 -3.937 -23.665 -2.504 1.00 0.00 N ATOM 341 CA ALA A 24 -4.966 -24.592 -2.944 1.00 0.00 C ATOM 342 C ALA A 24 -4.409 -26.017 -2.911 1.00 0.00 C ATOM 343 O ALA A 24 -4.984 -26.897 -2.273 1.00 0.00 O ATOM 344 CB ALA A 24 -5.454 -24.189 -4.337 1.00 0.00 C ATOM 0 H ALA A 24 -3.378 -23.260 -3.255 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.826 -24.558 -2.275 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.226 -24.884 -4.667 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.866 -23.180 -4.301 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.619 -24.215 -5.037 1.00 0.00 H new ATOM 350 N SER A 25 -3.297 -26.201 -3.608 1.00 0.00 N ATOM 351 CA SER A 25 -2.657 -27.504 -3.666 1.00 0.00 C ATOM 352 C SER A 25 -2.416 -28.032 -2.251 1.00 0.00 C ATOM 353 O SER A 25 -2.832 -29.141 -1.919 1.00 0.00 O ATOM 354 CB SER A 25 -1.338 -27.435 -4.439 1.00 0.00 C ATOM 355 OG SER A 25 -0.781 -28.728 -4.659 1.00 0.00 O ATOM 0 H SER A 25 -2.823 -25.469 -4.137 1.00 0.00 H new ATOM 0 HA SER A 25 -3.321 -28.189 -4.194 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.505 -26.944 -5.398 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.626 -26.822 -3.887 1.00 0.00 H new ATOM 0 HG SER A 25 0.059 -28.642 -5.157 1.00 0.00 H new ATOM 361 N LEU A 26 -1.744 -27.214 -1.454 1.00 0.00 N ATOM 362 CA LEU A 26 -1.443 -27.585 -0.082 1.00 0.00 C ATOM 363 C LEU A 26 -2.688 -27.381 0.782 1.00 0.00 C ATOM 364 O LEU A 26 -3.473 -26.465 0.541 1.00 0.00 O ATOM 365 CB LEU A 26 -0.214 -26.825 0.421 1.00 0.00 C ATOM 366 CG LEU A 26 1.133 -27.277 -0.147 1.00 0.00 C ATOM 367 CD1 LEU A 26 2.078 -26.087 -0.331 1.00 0.00 C ATOM 368 CD2 LEU A 26 1.754 -28.373 0.721 1.00 0.00 C ATOM 0 H LEU A 26 -1.399 -26.295 -1.733 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.183 -28.642 -0.022 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.346 -25.768 0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.176 -26.913 1.507 1.00 0.00 H new ATOM 0 HG LEU A 26 0.961 -27.707 -1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.028 -26.436 -0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.631 -25.371 -1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.249 -25.606 0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.710 -28.676 0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.911 -27.993 1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.084 -29.232 0.757 1.00 0.00 H new ATOM 380 N PRO A 27 -2.835 -28.272 1.799 1.00 0.00 N ATOM 381 CA PRO A 27 -3.972 -28.198 2.701 1.00 0.00 C ATOM 382 C PRO A 27 -3.812 -27.043 3.691 1.00 0.00 C ATOM 383 O PRO A 27 -2.693 -26.647 4.013 1.00 0.00 O ATOM 384 CB PRO A 27 -4.026 -29.558 3.378 1.00 0.00 C ATOM 385 CG PRO A 27 -2.652 -30.177 3.179 1.00 0.00 C ATOM 386 CD PRO A 27 -1.926 -29.370 2.116 1.00 0.00 C ATOM 0 HA PRO A 27 -4.908 -27.989 2.182 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.259 -29.458 4.438 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -4.803 -30.183 2.938 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.091 -30.169 4.114 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -2.744 -31.219 2.871 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -0.970 -28.999 2.485 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.714 -29.976 1.235 1.00 0.00 H new ATOM 394 N LYS A 28 -4.948 -26.535 4.146 1.00 0.00 N ATOM 395 CA LYS A 28 -4.949 -25.433 5.094 1.00 0.00 C ATOM 396 C LYS A 28 -4.997 -25.990 6.518 1.00 0.00 C ATOM 397 O LYS A 28 -4.985 -25.231 7.486 1.00 0.00 O ATOM 398 CB LYS A 28 -6.082 -24.455 4.777 1.00 0.00 C ATOM 399 CG LYS A 28 -5.813 -23.709 3.468 1.00 0.00 C ATOM 400 CD LYS A 28 -6.210 -24.561 2.260 1.00 0.00 C ATOM 401 CE LYS A 28 -7.056 -23.753 1.275 1.00 0.00 C ATOM 402 NZ LYS A 28 -8.057 -24.623 0.617 1.00 0.00 N ATOM 0 H LYS A 28 -5.874 -26.866 3.876 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.028 -24.856 5.009 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.025 -24.997 4.704 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.188 -23.739 5.592 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.372 -22.773 3.457 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.756 -23.450 3.403 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.314 -24.929 1.759 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.770 -25.435 2.594 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.560 -22.941 1.800 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.412 -23.296 0.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.623 -24.059 -0.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.570 -25.383 0.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.682 -25.039 1.337 1.00 0.00 H new ATOM 416 N HIS A 29 -5.051 -27.311 6.600 1.00 0.00 N ATOM 417 CA HIS A 29 -5.101 -27.979 7.890 1.00 0.00 C ATOM 418 C HIS A 29 -3.679 -28.213 8.402 1.00 0.00 C ATOM 419 O HIS A 29 -3.477 -28.472 9.588 1.00 0.00 O ATOM 420 CB HIS A 29 -5.920 -29.268 7.803 1.00 0.00 C ATOM 421 CG HIS A 29 -5.196 -30.412 7.133 1.00 0.00 C ATOM 422 ND1 HIS A 29 -5.580 -30.928 5.908 1.00 0.00 N ATOM 423 CD2 HIS A 29 -4.107 -31.131 7.530 1.00 0.00 C ATOM 424 CE1 HIS A 29 -4.754 -31.915 5.592 1.00 0.00 C ATOM 425 NE2 HIS A 29 -3.842 -32.039 6.598 1.00 0.00 N ATOM 0 H HIS A 29 -5.061 -27.937 5.795 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.610 -27.342 8.614 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.207 -29.573 8.809 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -6.841 -29.065 7.257 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -3.554 -30.986 8.446 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -4.796 -32.516 4.695 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -3.081 -32.718 6.629 1.00 0.00 H new ATOM 433 N LYS A 30 -2.729 -28.115 7.484 1.00 0.00 N ATOM 434 CA LYS A 30 -1.331 -28.313 7.827 1.00 0.00 C ATOM 435 C LYS A 30 -0.897 -27.234 8.821 1.00 0.00 C ATOM 436 O LYS A 30 -1.541 -26.192 8.932 1.00 0.00 O ATOM 437 CB LYS A 30 -0.471 -28.367 6.563 1.00 0.00 C ATOM 438 CG LYS A 30 -0.120 -29.812 6.201 1.00 0.00 C ATOM 439 CD LYS A 30 1.008 -29.858 5.167 1.00 0.00 C ATOM 440 CE LYS A 30 1.403 -31.303 4.852 1.00 0.00 C ATOM 441 NZ LYS A 30 1.453 -31.519 3.389 1.00 0.00 N ATOM 0 H LYS A 30 -2.900 -27.901 6.502 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.192 -29.275 8.320 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.005 -27.900 5.735 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.444 -27.794 6.716 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.181 -30.353 7.098 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.002 -30.316 5.806 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.689 -29.357 4.253 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.874 -29.314 5.544 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.375 -31.525 5.292 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.686 -31.989 5.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.928 -32.422 3.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.485 -31.545 3.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.980 -30.742 2.941 1.00 0.00 H new ATOM 455 N PRO A 31 0.221 -27.528 9.537 1.00 0.00 N ATOM 456 CA PRO A 31 0.749 -26.595 10.518 1.00 0.00 C ATOM 457 C PRO A 31 1.453 -25.421 9.834 1.00 0.00 C ATOM 458 O PRO A 31 0.942 -24.303 9.832 1.00 0.00 O ATOM 459 CB PRO A 31 1.682 -27.423 11.386 1.00 0.00 C ATOM 460 CG PRO A 31 2.000 -28.673 10.582 1.00 0.00 C ATOM 461 CD PRO A 31 1.010 -28.752 9.432 1.00 0.00 C ATOM 0 HA PRO A 31 -0.032 -26.134 11.123 1.00 0.00 H new ATOM 0 HB2 PRO A 31 2.590 -26.869 11.622 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.209 -27.678 12.334 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.022 -28.634 10.204 1.00 0.00 H new ATOM 0 HG3 PRO A 31 1.926 -29.560 11.211 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.522 -28.812 8.472 1.00 0.00 H new ATOM 0 HD3 PRO A 31 0.380 -29.638 9.512 1.00 0.00 H new ATOM 469 N GLY A 32 2.616 -25.717 9.271 1.00 0.00 N ATOM 470 CA GLY A 32 3.395 -24.700 8.586 1.00 0.00 C ATOM 471 C GLY A 32 2.871 -24.470 7.167 1.00 0.00 C ATOM 472 O GLY A 32 3.640 -24.482 6.208 1.00 0.00 O ATOM 0 H GLY A 32 3.037 -26.646 9.275 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.355 -23.767 9.148 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.441 -25.004 8.546 1.00 0.00 H new ATOM 476 N PHE A 33 1.564 -24.267 7.080 1.00 0.00 N ATOM 477 CA PHE A 33 0.928 -24.034 5.795 1.00 0.00 C ATOM 478 C PHE A 33 1.614 -22.893 5.041 1.00 0.00 C ATOM 479 O PHE A 33 1.786 -22.962 3.825 1.00 0.00 O ATOM 480 CB PHE A 33 -0.524 -23.642 6.079 1.00 0.00 C ATOM 481 CG PHE A 33 -1.316 -23.243 4.832 1.00 0.00 C ATOM 482 CD1 PHE A 33 -1.507 -24.143 3.831 1.00 0.00 C ATOM 483 CD2 PHE A 33 -1.829 -21.988 4.725 1.00 0.00 C ATOM 484 CE1 PHE A 33 -2.242 -23.773 2.674 1.00 0.00 C ATOM 485 CE2 PHE A 33 -2.564 -21.618 3.568 1.00 0.00 C ATOM 486 CZ PHE A 33 -2.755 -22.518 2.567 1.00 0.00 C ATOM 0 H PHE A 33 0.929 -24.259 7.878 1.00 0.00 H new ATOM 0 HA PHE A 33 0.995 -24.931 5.179 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.027 -24.478 6.564 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.534 -22.811 6.785 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.100 -25.140 3.916 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.677 -21.273 5.520 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.394 -24.488 1.879 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.971 -20.621 3.483 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.314 -22.236 1.687 1.00 0.00 H new ATOM 496 N TRP A 34 1.987 -21.869 5.795 1.00 0.00 N ATOM 497 CA TRP A 34 2.650 -20.714 5.214 1.00 0.00 C ATOM 498 C TRP A 34 4.008 -21.170 4.676 1.00 0.00 C ATOM 499 O TRP A 34 4.352 -20.887 3.529 1.00 0.00 O ATOM 500 CB TRP A 34 2.762 -19.576 6.230 1.00 0.00 C ATOM 501 CG TRP A 34 1.426 -18.909 6.566 1.00 0.00 C ATOM 502 CD1 TRP A 34 0.881 -18.716 7.774 1.00 0.00 C ATOM 503 CD2 TRP A 34 0.485 -18.349 5.626 1.00 0.00 C ATOM 504 NE1 TRP A 34 -0.339 -18.076 7.683 1.00 0.00 N ATOM 505 CE2 TRP A 34 -0.587 -17.846 6.334 1.00 0.00 C ATOM 506 CE3 TRP A 34 0.538 -18.270 4.223 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -1.686 -17.229 5.726 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -0.569 -17.651 3.630 1.00 0.00 C ATOM 509 CH2 TRP A 34 -1.656 -17.139 4.329 1.00 0.00 C ATOM 0 H TRP A 34 1.843 -21.815 6.803 1.00 0.00 H new ATOM 0 HA TRP A 34 2.065 -20.309 4.388 1.00 0.00 H new ATOM 0 HB2 TRP A 34 3.204 -19.964 7.148 1.00 0.00 H new ATOM 0 HB3 TRP A 34 3.446 -18.821 5.841 1.00 0.00 H new ATOM 0 HD1 TRP A 34 1.339 -19.023 8.703 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -0.946 -17.819 8.461 1.00 0.00 H new ATOM 0 HE3 TRP A 34 1.367 -18.656 3.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -2.513 -16.843 6.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -0.579 -17.565 2.553 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -2.473 -16.674 3.797 1.00 0.00 H new ATOM 520 N SER A 35 4.743 -21.869 5.529 1.00 0.00 N ATOM 521 CA SER A 35 6.055 -22.366 5.154 1.00 0.00 C ATOM 522 C SER A 35 5.958 -23.171 3.857 1.00 0.00 C ATOM 523 O SER A 35 6.893 -23.180 3.057 1.00 0.00 O ATOM 524 CB SER A 35 6.657 -23.226 6.268 1.00 0.00 C ATOM 525 OG SER A 35 6.382 -24.611 6.081 1.00 0.00 O ATOM 0 H SER A 35 4.454 -22.103 6.479 1.00 0.00 H new ATOM 0 HA SER A 35 6.712 -21.511 4.996 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.736 -23.072 6.302 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.258 -22.904 7.230 1.00 0.00 H new ATOM 0 HG SER A 35 5.413 -24.758 6.100 1.00 0.00 H new ATOM 531 N GLU A 36 4.820 -23.827 3.688 1.00 0.00 N ATOM 532 CA GLU A 36 4.589 -24.633 2.501 1.00 0.00 C ATOM 533 C GLU A 36 4.331 -23.733 1.291 1.00 0.00 C ATOM 534 O GLU A 36 5.107 -23.732 0.337 1.00 0.00 O ATOM 535 CB GLU A 36 3.429 -25.607 2.717 1.00 0.00 C ATOM 536 CG GLU A 36 3.773 -26.639 3.793 1.00 0.00 C ATOM 537 CD GLU A 36 2.673 -27.696 3.910 1.00 0.00 C ATOM 538 OE1 GLU A 36 1.530 -27.294 4.216 1.00 0.00 O ATOM 539 OE2 GLU A 36 3.001 -28.883 3.691 1.00 0.00 O ATOM 0 H GLU A 36 4.047 -23.817 4.354 1.00 0.00 H new ATOM 0 HA GLU A 36 5.484 -25.223 2.306 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.536 -25.055 3.010 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.197 -26.115 1.781 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.721 -27.120 3.551 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.906 -26.139 4.752 1.00 0.00 H new ATOM 546 N VAL A 37 3.238 -22.988 1.369 1.00 0.00 N ATOM 547 CA VAL A 37 2.868 -22.086 0.292 1.00 0.00 C ATOM 548 C VAL A 37 4.051 -21.171 -0.030 1.00 0.00 C ATOM 549 O VAL A 37 4.153 -20.651 -1.140 1.00 0.00 O ATOM 550 CB VAL A 37 1.601 -21.315 0.667 1.00 0.00 C ATOM 551 CG1 VAL A 37 0.558 -22.244 1.292 1.00 0.00 C ATOM 552 CG2 VAL A 37 1.925 -20.148 1.602 1.00 0.00 C ATOM 0 H VAL A 37 2.596 -22.991 2.162 1.00 0.00 H new ATOM 0 HA VAL A 37 2.635 -22.647 -0.613 1.00 0.00 H new ATOM 0 HB VAL A 37 1.177 -20.903 -0.249 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.333 -21.670 1.549 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.293 -23.025 0.580 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.969 -22.699 2.193 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.007 -19.617 1.853 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.384 -20.529 2.514 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.615 -19.465 1.106 1.00 0.00 H new ATOM 562 N ALA A 38 4.915 -21.003 0.960 1.00 0.00 N ATOM 563 CA ALA A 38 6.087 -20.161 0.796 1.00 0.00 C ATOM 564 C ALA A 38 7.114 -20.886 -0.075 1.00 0.00 C ATOM 565 O ALA A 38 7.950 -20.251 -0.715 1.00 0.00 O ATOM 566 CB ALA A 38 6.647 -19.791 2.171 1.00 0.00 C ATOM 0 H ALA A 38 4.827 -21.436 1.879 1.00 0.00 H new ATOM 0 HA ALA A 38 5.823 -19.232 0.290 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.527 -19.159 2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.889 -19.251 2.739 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.925 -20.699 2.707 1.00 0.00 H new ATOM 572 N ALA A 39 7.017 -22.208 -0.072 1.00 0.00 N ATOM 573 CA ALA A 39 7.927 -23.027 -0.855 1.00 0.00 C ATOM 574 C ALA A 39 7.792 -22.660 -2.334 1.00 0.00 C ATOM 575 O ALA A 39 8.775 -22.299 -2.980 1.00 0.00 O ATOM 576 CB ALA A 39 7.637 -24.506 -0.592 1.00 0.00 C ATOM 0 H ALA A 39 6.322 -22.732 0.460 1.00 0.00 H new ATOM 0 HA ALA A 39 8.960 -22.840 -0.562 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.319 -25.121 -1.179 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.775 -24.721 0.468 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.609 -24.732 -0.877 1.00 0.00 H new ATOM 582 N ALA A 40 6.567 -22.766 -2.828 1.00 0.00 N ATOM 583 CA ALA A 40 6.291 -22.450 -4.219 1.00 0.00 C ATOM 584 C ALA A 40 6.304 -20.932 -4.405 1.00 0.00 C ATOM 585 O ALA A 40 6.651 -20.437 -5.476 1.00 0.00 O ATOM 586 CB ALA A 40 4.957 -23.077 -4.630 1.00 0.00 C ATOM 0 H ALA A 40 5.754 -23.066 -2.290 1.00 0.00 H new ATOM 0 HA ALA A 40 7.061 -22.868 -4.868 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.750 -22.840 -5.674 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.010 -24.159 -4.507 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.159 -22.679 -4.002 1.00 0.00 H new ATOM 592 N VAL A 41 5.921 -20.235 -3.346 1.00 0.00 N ATOM 593 CA VAL A 41 5.884 -18.782 -3.379 1.00 0.00 C ATOM 594 C VAL A 41 7.254 -18.232 -2.978 1.00 0.00 C ATOM 595 O VAL A 41 7.409 -17.029 -2.774 1.00 0.00 O ATOM 596 CB VAL A 41 4.750 -18.267 -2.490 1.00 0.00 C ATOM 597 CG1 VAL A 41 4.742 -16.738 -2.443 1.00 0.00 C ATOM 598 CG2 VAL A 41 3.398 -18.809 -2.958 1.00 0.00 C ATOM 0 H VAL A 41 5.633 -20.649 -2.459 1.00 0.00 H new ATOM 0 HA VAL A 41 5.674 -18.428 -4.388 1.00 0.00 H new ATOM 0 HB VAL A 41 4.925 -18.632 -1.478 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.927 -16.398 -1.805 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.690 -16.381 -2.041 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.603 -16.344 -3.450 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.609 -18.428 -2.310 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.212 -18.488 -3.983 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.408 -19.898 -2.916 1.00 0.00 H new ATOM 608 N GLY A 42 8.214 -19.140 -2.877 1.00 0.00 N ATOM 609 CA GLY A 42 9.567 -18.761 -2.505 1.00 0.00 C ATOM 610 C GLY A 42 9.821 -17.280 -2.795 1.00 0.00 C ATOM 611 O GLY A 42 10.428 -16.581 -1.986 1.00 0.00 O ATOM 0 H GLY A 42 8.082 -20.137 -3.046 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.726 -18.960 -1.445 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.284 -19.371 -3.055 1.00 0.00 H new ATOM 615 N SER A 43 9.343 -16.846 -3.952 1.00 0.00 N ATOM 616 CA SER A 43 9.510 -15.462 -4.359 1.00 0.00 C ATOM 617 C SER A 43 9.343 -14.537 -3.151 1.00 0.00 C ATOM 618 O SER A 43 9.929 -13.457 -3.106 1.00 0.00 O ATOM 619 CB SER A 43 8.514 -15.086 -5.457 1.00 0.00 C ATOM 620 OG SER A 43 9.150 -14.446 -6.560 1.00 0.00 O ATOM 0 H SER A 43 8.840 -17.429 -4.621 1.00 0.00 H new ATOM 0 HA SER A 43 10.516 -15.344 -4.763 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.002 -15.983 -5.805 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.752 -14.424 -5.044 1.00 0.00 H new ATOM 0 HG SER A 43 8.480 -14.224 -7.240 1.00 0.00 H new ATOM 626 N ARG A 44 8.540 -14.996 -2.202 1.00 0.00 N ATOM 627 CA ARG A 44 8.288 -14.224 -0.997 1.00 0.00 C ATOM 628 C ARG A 44 8.442 -15.108 0.242 1.00 0.00 C ATOM 629 O ARG A 44 8.804 -16.279 0.132 1.00 0.00 O ATOM 630 CB ARG A 44 6.883 -13.620 -1.014 1.00 0.00 C ATOM 631 CG ARG A 44 6.616 -12.888 -2.331 1.00 0.00 C ATOM 632 CD ARG A 44 6.598 -11.372 -2.121 1.00 0.00 C ATOM 633 NE ARG A 44 6.178 -10.694 -3.368 1.00 0.00 N ATOM 634 CZ ARG A 44 6.373 -9.392 -3.617 1.00 0.00 C ATOM 635 NH1 ARG A 44 6.981 -8.619 -2.706 1.00 0.00 N ATOM 636 NH2 ARG A 44 5.959 -8.862 -4.775 1.00 0.00 N ATOM 0 H ARG A 44 8.056 -15.893 -2.243 1.00 0.00 H new ATOM 0 HA ARG A 44 9.018 -13.415 -0.963 1.00 0.00 H new ATOM 0 HB2 ARG A 44 6.143 -14.408 -0.875 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.771 -12.927 -0.180 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.384 -13.149 -3.059 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.661 -13.213 -2.745 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.915 -11.117 -1.311 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.588 -11.026 -1.825 1.00 0.00 H new ATOM 0 HE ARG A 44 5.711 -11.253 -4.082 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.295 -9.022 -1.823 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.129 -7.628 -2.896 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.495 -9.450 -5.468 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.108 -7.871 -4.964 1.00 0.00 H new ATOM 650 N SER A 45 8.158 -14.515 1.392 1.00 0.00 N ATOM 651 CA SER A 45 8.260 -15.234 2.650 1.00 0.00 C ATOM 652 C SER A 45 6.895 -15.808 3.037 1.00 0.00 C ATOM 653 O SER A 45 5.870 -15.399 2.495 1.00 0.00 O ATOM 654 CB SER A 45 8.788 -14.326 3.763 1.00 0.00 C ATOM 655 OG SER A 45 9.505 -13.208 3.244 1.00 0.00 O ATOM 0 H SER A 45 7.857 -13.544 1.479 1.00 0.00 H new ATOM 0 HA SER A 45 8.968 -16.052 2.519 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.954 -13.972 4.369 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.439 -14.901 4.422 1.00 0.00 H new ATOM 0 HG SER A 45 9.367 -12.432 3.827 1.00 0.00 H new ATOM 661 N PRO A 46 6.928 -16.772 3.996 1.00 0.00 N ATOM 662 CA PRO A 46 5.706 -17.406 4.461 1.00 0.00 C ATOM 663 C PRO A 46 4.918 -16.470 5.380 1.00 0.00 C ATOM 664 O PRO A 46 3.692 -16.540 5.438 1.00 0.00 O ATOM 665 CB PRO A 46 6.164 -18.677 5.159 1.00 0.00 C ATOM 666 CG PRO A 46 7.639 -18.476 5.465 1.00 0.00 C ATOM 667 CD PRO A 46 8.124 -17.281 4.660 1.00 0.00 C ATOM 0 HA PRO A 46 5.017 -17.639 3.649 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.595 -18.847 6.073 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.012 -19.549 4.522 1.00 0.00 H new ATOM 0 HG2 PRO A 46 7.788 -18.304 6.531 1.00 0.00 H new ATOM 0 HG3 PRO A 46 8.208 -19.368 5.204 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.571 -16.524 5.305 1.00 0.00 H new ATOM 0 HD3 PRO A 46 8.885 -17.573 3.936 1.00 0.00 H new ATOM 675 N GLU A 47 5.655 -15.616 6.074 1.00 0.00 N ATOM 676 CA GLU A 47 5.041 -14.667 6.988 1.00 0.00 C ATOM 677 C GLU A 47 4.295 -13.585 6.205 1.00 0.00 C ATOM 678 O GLU A 47 3.358 -12.976 6.720 1.00 0.00 O ATOM 679 CB GLU A 47 6.084 -14.049 7.920 1.00 0.00 C ATOM 680 CG GLU A 47 6.637 -15.093 8.893 1.00 0.00 C ATOM 681 CD GLU A 47 6.917 -14.472 10.263 1.00 0.00 C ATOM 682 OE1 GLU A 47 7.965 -13.801 10.378 1.00 0.00 O ATOM 683 OE2 GLU A 47 6.076 -14.681 11.164 1.00 0.00 O ATOM 0 H GLU A 47 6.672 -15.561 6.022 1.00 0.00 H new ATOM 0 HA GLU A 47 4.321 -15.202 7.608 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.899 -13.628 7.331 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.636 -13.227 8.479 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.924 -15.910 8.999 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.555 -15.521 8.490 1.00 0.00 H new ATOM 690 N GLU A 48 4.739 -13.377 4.974 1.00 0.00 N ATOM 691 CA GLU A 48 4.125 -12.378 4.116 1.00 0.00 C ATOM 692 C GLU A 48 2.885 -12.956 3.431 1.00 0.00 C ATOM 693 O GLU A 48 1.899 -12.250 3.227 1.00 0.00 O ATOM 694 CB GLU A 48 5.126 -11.852 3.085 1.00 0.00 C ATOM 695 CG GLU A 48 6.391 -11.326 3.766 1.00 0.00 C ATOM 696 CD GLU A 48 7.609 -11.479 2.854 1.00 0.00 C ATOM 697 OE1 GLU A 48 7.458 -12.156 1.814 1.00 0.00 O ATOM 698 OE2 GLU A 48 8.664 -10.916 3.217 1.00 0.00 O ATOM 0 H GLU A 48 5.517 -13.883 4.550 1.00 0.00 H new ATOM 0 HA GLU A 48 3.814 -11.536 4.735 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.388 -12.648 2.389 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.666 -11.056 2.500 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.258 -10.276 4.027 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.559 -11.868 4.697 1.00 0.00 H new ATOM 705 N CYS A 49 2.976 -14.235 3.096 1.00 0.00 N ATOM 706 CA CYS A 49 1.873 -14.916 2.439 1.00 0.00 C ATOM 707 C CYS A 49 0.608 -14.694 3.270 1.00 0.00 C ATOM 708 O CYS A 49 -0.496 -14.653 2.728 1.00 0.00 O ATOM 709 CB CYS A 49 2.168 -16.403 2.234 1.00 0.00 C ATOM 710 SG CYS A 49 3.691 -16.608 1.240 1.00 0.00 S ATOM 0 H CYS A 49 3.796 -14.817 3.267 1.00 0.00 H new ATOM 0 HA CYS A 49 1.728 -14.501 1.442 1.00 0.00 H new ATOM 0 HB2 CYS A 49 2.285 -16.895 3.199 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.328 -16.883 1.731 1.00 0.00 H new ATOM 0 HG CYS A 49 4.615 -15.814 1.694 1.00 0.00 H new ATOM 716 N GLN A 50 0.810 -14.558 4.572 1.00 0.00 N ATOM 717 CA GLN A 50 -0.301 -14.341 5.483 1.00 0.00 C ATOM 718 C GLN A 50 -0.810 -12.903 5.367 1.00 0.00 C ATOM 719 O GLN A 50 -1.999 -12.677 5.148 1.00 0.00 O ATOM 720 CB GLN A 50 0.099 -14.667 6.923 1.00 0.00 C ATOM 721 CG GLN A 50 -1.010 -14.277 7.902 1.00 0.00 C ATOM 722 CD GLN A 50 -0.482 -13.326 8.978 1.00 0.00 C ATOM 723 OE1 GLN A 50 -0.040 -13.732 10.040 1.00 0.00 O ATOM 724 NE2 GLN A 50 -0.552 -12.040 8.645 1.00 0.00 N ATOM 0 H GLN A 50 1.727 -14.594 5.018 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.111 -15.015 5.204 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.310 -15.733 7.013 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.017 -14.137 7.178 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.827 -13.801 7.360 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.417 -15.173 8.371 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.933 -11.768 7.739 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.224 -11.326 9.296 1.00 0.00 H new ATOM 733 N ARG A 51 0.115 -11.967 5.520 1.00 0.00 N ATOM 734 CA ARG A 51 -0.225 -10.557 5.436 1.00 0.00 C ATOM 735 C ARG A 51 -0.915 -10.257 4.104 1.00 0.00 C ATOM 736 O ARG A 51 -1.936 -9.571 4.070 1.00 0.00 O ATOM 737 CB ARG A 51 1.023 -9.681 5.565 1.00 0.00 C ATOM 738 CG ARG A 51 1.064 -8.984 6.927 1.00 0.00 C ATOM 739 CD ARG A 51 2.472 -9.029 7.523 1.00 0.00 C ATOM 740 NE ARG A 51 2.787 -7.739 8.176 1.00 0.00 N ATOM 741 CZ ARG A 51 4.002 -7.404 8.632 1.00 0.00 C ATOM 742 NH1 ARG A 51 5.024 -8.263 8.509 1.00 0.00 N ATOM 743 NH2 ARG A 51 4.195 -6.212 9.211 1.00 0.00 N ATOM 0 H ARG A 51 1.100 -12.158 5.702 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.902 -10.329 6.260 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.916 -10.293 5.438 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.032 -8.935 4.770 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.744 -7.948 6.819 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.362 -9.465 7.607 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.543 -9.840 8.248 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.201 -9.237 6.740 1.00 0.00 H new ATOM 0 HE ARG A 51 2.032 -7.062 8.286 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.877 -9.171 8.068 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.949 -8.008 8.856 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.417 -5.559 9.305 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.120 -5.957 9.558 1.00 0.00 H new ATOM 757 N LYS A 52 -0.330 -10.785 3.038 1.00 0.00 N ATOM 758 CA LYS A 52 -0.876 -10.581 1.707 1.00 0.00 C ATOM 759 C LYS A 52 -2.310 -11.112 1.662 1.00 0.00 C ATOM 760 O LYS A 52 -3.255 -10.343 1.495 1.00 0.00 O ATOM 761 CB LYS A 52 0.042 -11.201 0.651 1.00 0.00 C ATOM 762 CG LYS A 52 -0.688 -11.364 -0.683 1.00 0.00 C ATOM 763 CD LYS A 52 -1.076 -10.004 -1.266 1.00 0.00 C ATOM 764 CE LYS A 52 -0.238 -9.678 -2.503 1.00 0.00 C ATOM 765 NZ LYS A 52 -1.109 -9.485 -3.684 1.00 0.00 N ATOM 0 H LYS A 52 0.516 -11.353 3.069 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.922 -9.517 1.473 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.921 -10.572 0.514 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.396 -12.172 0.997 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.050 -11.897 -1.388 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.582 -11.971 -0.540 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.134 -10.006 -1.529 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.936 -9.228 -0.513 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.348 -8.776 -2.325 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.469 -10.485 -2.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.725 -10.019 -4.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.068 -9.825 -3.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.147 -8.474 -3.926 1.00 0.00 H new ATOM 779 N TYR A 53 -2.427 -12.423 1.815 1.00 0.00 N ATOM 780 CA TYR A 53 -3.730 -13.065 1.794 1.00 0.00 C ATOM 781 C TYR A 53 -4.756 -12.250 2.584 1.00 0.00 C ATOM 782 O TYR A 53 -5.817 -11.909 2.064 1.00 0.00 O ATOM 783 CB TYR A 53 -3.542 -14.423 2.473 1.00 0.00 C ATOM 784 CG TYR A 53 -4.670 -15.419 2.196 1.00 0.00 C ATOM 785 CD1 TYR A 53 -4.618 -16.227 1.079 1.00 0.00 C ATOM 786 CD2 TYR A 53 -5.740 -15.509 3.064 1.00 0.00 C ATOM 787 CE1 TYR A 53 -5.680 -17.165 0.818 1.00 0.00 C ATOM 788 CE2 TYR A 53 -6.801 -16.447 2.803 1.00 0.00 C ATOM 789 CZ TYR A 53 -6.719 -17.228 1.693 1.00 0.00 C ATOM 790 OH TYR A 53 -7.721 -18.113 1.447 1.00 0.00 O ATOM 0 H TYR A 53 -1.641 -13.058 1.954 1.00 0.00 H new ATOM 0 HA TYR A 53 -4.096 -13.156 0.771 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.599 -14.856 2.140 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.461 -14.271 3.549 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.781 -16.156 0.400 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.781 -14.876 3.938 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.652 -17.803 -0.053 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.643 -16.528 3.474 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.338 -18.973 1.175 1.00 0.00 H new ATOM 800 N MET A 54 -4.404 -11.962 3.828 1.00 0.00 N ATOM 801 CA MET A 54 -5.280 -11.194 4.696 1.00 0.00 C ATOM 802 C MET A 54 -5.948 -10.052 3.928 1.00 0.00 C ATOM 803 O MET A 54 -7.145 -9.813 4.081 1.00 0.00 O ATOM 804 CB MET A 54 -4.471 -10.621 5.861 1.00 0.00 C ATOM 805 CG MET A 54 -4.304 -11.657 6.975 1.00 0.00 C ATOM 806 SD MET A 54 -4.013 -10.837 8.533 1.00 0.00 S ATOM 807 CE MET A 54 -5.545 -11.209 9.370 1.00 0.00 C ATOM 0 H MET A 54 -3.523 -12.247 4.256 1.00 0.00 H new ATOM 0 HA MET A 54 -6.058 -11.857 5.074 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.491 -10.302 5.506 1.00 0.00 H new ATOM 0 HB3 MET A 54 -4.971 -9.736 6.255 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.198 -12.278 7.043 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.471 -12.321 6.743 1.00 0.00 H new ATOM 0 HE1 MET A 54 -5.532 -10.768 10.367 1.00 0.00 H new ATOM 0 HE2 MET A 54 -6.379 -10.797 8.802 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.661 -12.290 9.453 1.00 0.00 H new ATOM 817 N GLU A 55 -5.146 -9.378 3.117 1.00 0.00 N ATOM 818 CA GLU A 55 -5.645 -8.267 2.325 1.00 0.00 C ATOM 819 C GLU A 55 -6.666 -8.762 1.299 1.00 0.00 C ATOM 820 O GLU A 55 -7.749 -8.192 1.171 1.00 0.00 O ATOM 821 CB GLU A 55 -4.497 -7.523 1.639 1.00 0.00 C ATOM 822 CG GLU A 55 -3.565 -6.883 2.671 1.00 0.00 C ATOM 823 CD GLU A 55 -3.529 -5.362 2.508 1.00 0.00 C ATOM 824 OE1 GLU A 55 -4.618 -4.756 2.602 1.00 0.00 O ATOM 825 OE2 GLU A 55 -2.413 -4.841 2.293 1.00 0.00 O ATOM 0 H GLU A 55 -4.154 -9.580 2.991 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.142 -7.565 2.994 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.933 -8.215 1.013 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.900 -6.753 0.980 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.901 -7.137 3.676 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.559 -7.288 2.559 1.00 0.00 H new ATOM 832 N ASN A 56 -6.286 -9.819 0.596 1.00 0.00 N ATOM 833 CA ASN A 56 -7.156 -10.398 -0.414 1.00 0.00 C ATOM 834 C ASN A 56 -7.386 -11.877 -0.095 1.00 0.00 C ATOM 835 O ASN A 56 -6.799 -12.751 -0.731 1.00 0.00 O ATOM 836 CB ASN A 56 -6.523 -10.307 -1.804 1.00 0.00 C ATOM 837 CG ASN A 56 -5.144 -10.969 -1.823 1.00 0.00 C ATOM 838 OD1 ASN A 56 -4.235 -10.591 -1.103 1.00 0.00 O ATOM 839 ND2 ASN A 56 -5.040 -11.977 -2.685 1.00 0.00 N ATOM 0 H ASN A 56 -5.388 -10.289 0.706 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.095 -9.844 -0.408 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.172 -10.789 -2.535 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -6.432 -9.261 -2.099 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.160 -12.485 -2.772 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.841 -12.242 -3.258 1.00 0.00 H new ATOM 846 N PRO A 57 -8.265 -12.117 0.915 1.00 0.00 N ATOM 847 CA PRO A 57 -8.580 -13.475 1.325 1.00 0.00 C ATOM 848 C PRO A 57 -9.505 -14.153 0.312 1.00 0.00 C ATOM 849 O PRO A 57 -9.224 -15.259 -0.147 1.00 0.00 O ATOM 850 CB PRO A 57 -9.208 -13.334 2.702 1.00 0.00 C ATOM 851 CG PRO A 57 -9.645 -11.883 2.814 1.00 0.00 C ATOM 852 CD PRO A 57 -8.978 -11.107 1.690 1.00 0.00 C ATOM 0 HA PRO A 57 -7.700 -14.117 1.367 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -10.058 -14.008 2.815 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.494 -13.588 3.485 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -10.730 -11.804 2.741 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -9.360 -11.472 3.783 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -9.714 -10.585 1.078 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -8.295 -10.353 2.081 1.00 0.00 H new ATOM 860 N ARG A 58 -10.589 -13.462 -0.006 1.00 0.00 N ATOM 861 CA ARG A 58 -11.557 -13.983 -0.956 1.00 0.00 C ATOM 862 C ARG A 58 -11.679 -13.045 -2.158 1.00 0.00 C ATOM 863 O ARG A 58 -11.578 -13.482 -3.304 1.00 0.00 O ATOM 864 CB ARG A 58 -12.932 -14.149 -0.305 1.00 0.00 C ATOM 865 CG ARG A 58 -13.708 -15.301 -0.949 1.00 0.00 C ATOM 866 CD ARG A 58 -14.539 -14.807 -2.135 1.00 0.00 C ATOM 867 NE ARG A 58 -15.961 -15.166 -1.940 1.00 0.00 N ATOM 868 CZ ARG A 58 -16.896 -15.080 -2.896 1.00 0.00 C ATOM 869 NH1 ARG A 58 -16.564 -14.646 -4.120 1.00 0.00 N ATOM 870 NH2 ARG A 58 -18.162 -15.428 -2.629 1.00 0.00 N ATOM 0 H ARG A 58 -10.819 -12.545 0.377 1.00 0.00 H new ATOM 0 HA ARG A 58 -11.204 -14.959 -1.288 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -12.813 -14.338 0.762 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -13.499 -13.224 -0.404 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -13.012 -16.071 -1.283 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -14.362 -15.762 -0.209 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.439 -13.726 -2.235 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -14.167 -15.249 -3.059 1.00 0.00 H new ATOM 0 HE ARG A 58 -16.248 -15.500 -1.020 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -15.600 -14.381 -4.323 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -17.275 -14.580 -4.848 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -18.414 -15.759 -1.698 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -18.873 -15.362 -3.357 1.00 0.00 H new ATOM 884 N GLY A 59 -11.896 -11.773 -1.857 1.00 0.00 N ATOM 885 CA GLY A 59 -12.033 -10.770 -2.899 1.00 0.00 C ATOM 886 C GLY A 59 -10.704 -10.055 -3.149 1.00 0.00 C ATOM 887 O GLY A 59 -9.644 -10.560 -2.784 1.00 0.00 O ATOM 0 H GLY A 59 -11.980 -11.414 -0.906 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.375 -11.242 -3.820 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.793 -10.043 -2.612 1.00 0.00 H new ATOM 891 N LYS A 60 -10.804 -8.889 -3.771 1.00 0.00 N ATOM 892 CA LYS A 60 -9.623 -8.098 -4.074 1.00 0.00 C ATOM 893 C LYS A 60 -9.358 -7.124 -2.925 1.00 0.00 C ATOM 894 O LYS A 60 -10.197 -6.958 -2.041 1.00 0.00 O ATOM 895 CB LYS A 60 -9.769 -7.418 -5.436 1.00 0.00 C ATOM 896 CG LYS A 60 -8.492 -7.568 -6.265 1.00 0.00 C ATOM 897 CD LYS A 60 -8.745 -7.217 -7.732 1.00 0.00 C ATOM 898 CE LYS A 60 -8.092 -8.242 -8.662 1.00 0.00 C ATOM 899 NZ LYS A 60 -8.946 -9.443 -8.791 1.00 0.00 N ATOM 0 H LYS A 60 -11.685 -8.473 -4.073 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.746 -8.739 -4.157 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.610 -7.854 -5.975 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.994 -6.361 -5.296 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.714 -6.920 -5.861 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.124 -8.591 -6.191 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.818 -7.181 -7.921 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.350 -6.224 -7.945 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.928 -7.798 -9.644 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.114 -8.524 -8.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.488 -10.128 -9.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.081 -9.875 -7.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.870 -9.171 -9.184 1.00 0.00 H new ATOM 913 N GLY A 61 -8.187 -6.505 -2.974 1.00 0.00 N ATOM 914 CA GLY A 61 -7.801 -5.552 -1.948 1.00 0.00 C ATOM 915 C GLY A 61 -7.609 -4.155 -2.542 1.00 0.00 C ATOM 916 O GLY A 61 -8.554 -3.370 -2.611 1.00 0.00 O ATOM 0 H GLY A 61 -7.493 -6.645 -3.708 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.565 -5.519 -1.171 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.877 -5.879 -1.472 1.00 0.00 H new ATOM 920 N SER A 62 -6.379 -3.887 -2.956 1.00 0.00 N ATOM 921 CA SER A 62 -6.051 -2.598 -3.542 1.00 0.00 C ATOM 922 C SER A 62 -6.293 -1.483 -2.523 1.00 0.00 C ATOM 923 O SER A 62 -7.220 -0.689 -2.675 1.00 0.00 O ATOM 924 CB SER A 62 -6.869 -2.345 -4.810 1.00 0.00 C ATOM 925 OG SER A 62 -8.200 -1.931 -4.513 1.00 0.00 O ATOM 0 H SER A 62 -5.598 -4.540 -2.897 1.00 0.00 H new ATOM 0 HA SER A 62 -4.997 -2.606 -3.818 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.377 -1.581 -5.412 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.898 -3.254 -5.410 1.00 0.00 H new ATOM 0 HG SER A 62 -8.333 -1.928 -3.542 1.00 0.00 H new ATOM 931 N GLN A 63 -5.443 -1.459 -1.507 1.00 0.00 N ATOM 932 CA GLN A 63 -5.554 -0.454 -0.463 1.00 0.00 C ATOM 933 C GLN A 63 -4.245 -0.362 0.325 1.00 0.00 C ATOM 934 O GLN A 63 -3.481 -1.324 0.380 1.00 0.00 O ATOM 935 CB GLN A 63 -6.732 -0.754 0.465 1.00 0.00 C ATOM 936 CG GLN A 63 -7.499 0.524 0.808 1.00 0.00 C ATOM 937 CD GLN A 63 -8.018 0.483 2.247 1.00 0.00 C ATOM 938 OE1 GLN A 63 -8.785 -0.384 2.633 1.00 0.00 O ATOM 939 NE2 GLN A 63 -7.559 1.466 3.016 1.00 0.00 N ATOM 0 H GLN A 63 -4.675 -2.119 -1.384 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.742 0.511 -0.933 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -7.403 -1.468 -0.013 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.369 -1.221 1.380 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -6.849 1.389 0.677 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -8.335 0.646 0.119 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.919 2.160 2.629 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.847 1.526 3.993 1.00 0.00 H new ATOM 948 N LYS A 64 -4.028 0.804 0.915 1.00 0.00 N ATOM 949 CA LYS A 64 -2.826 1.034 1.698 1.00 0.00 C ATOM 950 C LYS A 64 -1.619 1.107 0.760 1.00 0.00 C ATOM 951 O LYS A 64 -1.627 0.510 -0.315 1.00 0.00 O ATOM 952 CB LYS A 64 -2.690 -0.023 2.795 1.00 0.00 C ATOM 953 CG LYS A 64 -2.518 0.630 4.168 1.00 0.00 C ATOM 954 CD LYS A 64 -1.644 -0.232 5.080 1.00 0.00 C ATOM 955 CE LYS A 64 -0.179 0.205 5.009 1.00 0.00 C ATOM 956 NZ LYS A 64 0.360 0.433 6.369 1.00 0.00 N ATOM 0 H LYS A 64 -4.664 1.600 0.867 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.886 1.991 2.217 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.573 -0.662 2.800 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.834 -0.664 2.583 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -2.067 1.616 4.052 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.495 0.779 4.629 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.000 -0.157 6.107 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.729 -1.279 4.788 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.410 -0.558 4.501 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.094 1.118 4.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.355 0.729 6.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.192 1.177 6.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.296 -0.447 6.920 1.00 0.00 H new ATOM 970 N HIS A 65 -0.610 1.843 1.202 1.00 0.00 N ATOM 971 CA HIS A 65 0.602 2.001 0.416 1.00 0.00 C ATOM 972 C HIS A 65 1.819 1.997 1.343 1.00 0.00 C ATOM 973 O HIS A 65 1.886 2.779 2.290 1.00 0.00 O ATOM 974 CB HIS A 65 0.525 3.256 -0.455 1.00 0.00 C ATOM 975 CG HIS A 65 1.161 3.100 -1.815 1.00 0.00 C ATOM 976 ND1 HIS A 65 1.800 4.139 -2.468 1.00 0.00 N ATOM 977 CD2 HIS A 65 1.250 2.015 -2.638 1.00 0.00 C ATOM 978 CE1 HIS A 65 2.249 3.690 -3.631 1.00 0.00 C ATOM 979 NE2 HIS A 65 1.907 2.374 -3.735 1.00 0.00 N ATOM 0 H HIS A 65 -0.607 2.337 2.095 1.00 0.00 H new ATOM 0 HA HIS A 65 0.707 1.160 -0.269 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -0.521 3.532 -0.584 1.00 0.00 H new ATOM 0 HB3 HIS A 65 1.010 4.080 0.069 1.00 0.00 H new ATOM 0 HD1 HIS A 65 1.907 5.090 -2.114 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.854 1.032 -2.432 1.00 0.00 H new ATOM 0 HE1 HIS A 65 2.791 4.265 -4.367 1.00 0.00 H new ATOM 987 N VAL A 66 2.752 1.107 1.038 1.00 0.00 N ATOM 988 CA VAL A 66 3.964 0.991 1.832 1.00 0.00 C ATOM 989 C VAL A 66 5.034 1.924 1.262 1.00 0.00 C ATOM 990 O VAL A 66 5.419 1.797 0.101 1.00 0.00 O ATOM 991 CB VAL A 66 4.414 -0.470 1.889 1.00 0.00 C ATOM 992 CG1 VAL A 66 5.785 -0.596 2.556 1.00 0.00 C ATOM 993 CG2 VAL A 66 3.375 -1.336 2.604 1.00 0.00 C ATOM 0 H VAL A 66 2.693 0.459 0.252 1.00 0.00 H new ATOM 0 HA VAL A 66 3.778 1.301 2.860 1.00 0.00 H new ATOM 0 HB VAL A 66 4.505 -0.833 0.865 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.081 -1.645 2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.520 -0.026 1.987 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.732 -0.207 3.573 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.719 -2.370 2.631 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.237 -0.973 3.622 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.427 -1.283 2.069 1.00 0.00 H new ATOM 1003 N THR A 67 5.484 2.842 2.105 1.00 0.00 N ATOM 1004 CA THR A 67 6.502 3.796 1.700 1.00 0.00 C ATOM 1005 C THR A 67 7.335 4.232 2.906 1.00 0.00 C ATOM 1006 O THR A 67 6.797 4.450 3.991 1.00 0.00 O ATOM 1007 CB THR A 67 5.804 4.959 0.991 1.00 0.00 C ATOM 1008 OG1 THR A 67 5.631 4.497 -0.346 1.00 0.00 O ATOM 1009 CG2 THR A 67 6.709 6.185 0.849 1.00 0.00 C ATOM 0 H THR A 67 5.162 2.945 3.067 1.00 0.00 H new ATOM 0 HA THR A 67 7.209 3.347 1.002 1.00 0.00 H new ATOM 0 HB THR A 67 4.905 5.234 1.542 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.636 3.517 -0.357 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.166 6.981 0.340 1.00 0.00 H new ATOM 0 HG22 THR A 67 7.014 6.529 1.837 1.00 0.00 H new ATOM 0 HG23 THR A 67 7.593 5.920 0.269 1.00 0.00 H new ATOM 1017 N SER A 68 8.635 4.345 2.677 1.00 0.00 N ATOM 1018 CA SER A 68 9.549 4.751 3.732 1.00 0.00 C ATOM 1019 C SER A 68 10.224 6.072 3.360 1.00 0.00 C ATOM 1020 O SER A 68 10.092 7.064 4.075 1.00 0.00 O ATOM 1021 CB SER A 68 10.601 3.672 3.995 1.00 0.00 C ATOM 1022 OG SER A 68 11.412 3.981 5.125 1.00 0.00 O ATOM 0 H SER A 68 9.078 4.163 1.776 1.00 0.00 H new ATOM 0 HA SER A 68 8.974 4.890 4.648 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.106 2.714 4.155 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.234 3.560 3.114 1.00 0.00 H new ATOM 0 HG SER A 68 12.070 3.267 5.261 1.00 0.00 H new ATOM 1028 N GLY A 69 10.934 6.042 2.241 1.00 0.00 N ATOM 1029 CA GLY A 69 11.630 7.225 1.765 1.00 0.00 C ATOM 1030 C GLY A 69 13.010 7.347 2.415 1.00 0.00 C ATOM 1031 O GLY A 69 13.373 6.538 3.267 1.00 0.00 O ATOM 0 H GLY A 69 11.042 5.217 1.651 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.737 7.177 0.681 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.039 8.113 1.988 1.00 0.00 H new ATOM 1035 N PRO A 70 13.762 8.393 1.976 1.00 0.00 N ATOM 1036 CA PRO A 70 15.094 8.631 2.506 1.00 0.00 C ATOM 1037 C PRO A 70 15.026 9.226 3.914 1.00 0.00 C ATOM 1038 O PRO A 70 14.303 10.193 4.149 1.00 0.00 O ATOM 1039 CB PRO A 70 15.756 9.559 1.500 1.00 0.00 C ATOM 1040 CG PRO A 70 14.625 10.176 0.694 1.00 0.00 C ATOM 1041 CD PRO A 70 13.364 9.372 0.969 1.00 0.00 C ATOM 0 HA PRO A 70 15.671 7.714 2.623 1.00 0.00 H new ATOM 0 HB2 PRO A 70 16.341 10.328 2.004 1.00 0.00 H new ATOM 0 HB3 PRO A 70 16.441 9.010 0.854 1.00 0.00 H new ATOM 0 HG2 PRO A 70 14.481 11.219 0.975 1.00 0.00 H new ATOM 0 HG3 PRO A 70 14.862 10.162 -0.370 1.00 0.00 H new ATOM 0 HD2 PRO A 70 12.559 10.010 1.333 1.00 0.00 H new ATOM 0 HD3 PRO A 70 13.000 8.884 0.065 1.00 0.00 H new ATOM 1049 N SER A 71 15.789 8.622 4.813 1.00 0.00 N ATOM 1050 CA SER A 71 15.824 9.080 6.192 1.00 0.00 C ATOM 1051 C SER A 71 17.035 9.989 6.411 1.00 0.00 C ATOM 1052 O SER A 71 16.885 11.147 6.800 1.00 0.00 O ATOM 1053 CB SER A 71 15.865 7.899 7.164 1.00 0.00 C ATOM 1054 OG SER A 71 14.561 7.497 7.572 1.00 0.00 O ATOM 0 H SER A 71 16.387 7.820 4.614 1.00 0.00 H new ATOM 0 HA SER A 71 14.913 9.645 6.387 1.00 0.00 H new ATOM 0 HB2 SER A 71 16.372 7.058 6.691 1.00 0.00 H new ATOM 0 HB3 SER A 71 16.451 8.172 8.041 1.00 0.00 H new ATOM 0 HG SER A 71 14.631 6.740 8.190 1.00 0.00 H new ATOM 1060 N SER A 72 18.208 9.432 6.151 1.00 0.00 N ATOM 1061 CA SER A 72 19.444 10.178 6.314 1.00 0.00 C ATOM 1062 C SER A 72 20.387 9.892 5.143 1.00 0.00 C ATOM 1063 O SER A 72 20.789 10.809 4.428 1.00 0.00 O ATOM 1064 CB SER A 72 20.126 9.832 7.640 1.00 0.00 C ATOM 1065 OG SER A 72 20.034 10.898 8.581 1.00 0.00 O ATOM 0 H SER A 72 18.329 8.472 5.828 1.00 0.00 H new ATOM 0 HA SER A 72 19.202 11.241 6.327 1.00 0.00 H new ATOM 0 HB2 SER A 72 19.668 8.937 8.060 1.00 0.00 H new ATOM 0 HB3 SER A 72 21.175 9.598 7.458 1.00 0.00 H new ATOM 0 HG SER A 72 20.479 10.638 9.414 1.00 0.00 H new ATOM 1071 N GLY A 73 20.711 8.618 4.983 1.00 0.00 N ATOM 1072 CA GLY A 73 21.598 8.200 3.911 1.00 0.00 C ATOM 1073 C GLY A 73 20.803 7.673 2.715 1.00 0.00 C ATOM 1074 O GLY A 73 20.411 8.441 1.838 1.00 0.00 O ATOM 0 H GLY A 73 20.375 7.861 5.578 1.00 0.00 H new ATOM 0 HA2 GLY A 73 22.218 9.041 3.598 1.00 0.00 H new ATOM 0 HA3 GLY A 73 22.273 7.424 4.274 1.00 0.00 H new TER 1078 GLY A 73