USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 606 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 60 THR OG1 : rot -73:sc= 0.705 USER MOD Set 1.2: A 61 GLN : amide:sc= -1.54 K(o=-0.83,f=-12!) USER MOD Set 2.1: A 46 THR OG1 : rot -75:sc=-0.00801! USER MOD Set 2.2: A 54 CYS SG : rot 20:sc= 1.1 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -147:sc= -5.47! (180deg=-0.307) USER MOD Set 3.2: A 7 LYS NZ :NH3+ -111:sc= -5.92! (180deg=-0.442) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 11 ASN : amide:sc= -1.68 K(o=-1.7,f=-6.6!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 2:sc= 0.858 USER MOD Single : A 17 CYS SG : rot 140:sc= -4.1! USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 23 SER OG : rot -12:sc= 0.806 USER MOD Single : A 28 MET CE :methyl -156:sc= -0.0877 (180deg=-1.04) USER MOD Single : A 35 CYS SG : rot -0:sc= 0.446 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -4.45! C(o=-4.4!,f=-14!) USER MOD Single : A 57 ASN : amide:sc= -0.117 X(o=-0.12,f=-0.055) USER MOD Single : A 58 ASN : amide:sc= -5.5! C(o=-5.5!,f=-10!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.00707 USER MOD Single : A 64 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0832) USER MOD Single : A 67 ASN : amide:sc= -3.01! K(o=-3!,f=-0.029) USER MOD Single : A 69 THR OG1 : rot -110:sc= -0.409 USER MOD Single : A 70 HIS : no HD1:sc= -1.48! C(o=-1.5!,f=-3.2!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 13.145 -1.820 -3.220 1.00 0.00 N ATOM 21 CA GLU A 2 11.879 -1.865 -4.005 1.00 0.00 C ATOM 22 C GLU A 2 11.015 -3.028 -3.513 1.00 0.00 C ATOM 23 O GLU A 2 11.456 -4.158 -3.456 1.00 0.00 O ATOM 24 CB GLU A 2 12.204 -2.062 -5.488 1.00 0.00 C ATOM 25 CG GLU A 2 13.091 -0.914 -5.974 1.00 0.00 C ATOM 26 CD GLU A 2 13.248 -0.998 -7.494 1.00 0.00 C ATOM 27 OE1 GLU A 2 13.736 -2.012 -7.964 1.00 0.00 O ATOM 28 OE2 GLU A 2 12.877 -0.046 -8.161 1.00 0.00 O ATOM 0 HA GLU A 2 11.337 -0.929 -3.874 1.00 0.00 H new ATOM 0 HB2 GLU A 2 12.711 -3.015 -5.636 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.284 -2.096 -6.071 1.00 0.00 H new ATOM 0 HG2 GLU A 2 12.650 0.043 -5.696 1.00 0.00 H new ATOM 0 HG3 GLU A 2 14.068 -0.967 -5.493 1.00 0.00 H new ATOM 35 N TRP A 3 9.786 -2.758 -3.157 1.00 0.00 N ATOM 36 CA TRP A 3 8.885 -3.846 -2.667 1.00 0.00 C ATOM 37 C TRP A 3 8.006 -4.334 -3.820 1.00 0.00 C ATOM 38 O TRP A 3 8.092 -3.843 -4.929 1.00 0.00 O ATOM 39 CB TRP A 3 7.996 -3.302 -1.548 1.00 0.00 C ATOM 40 CG TRP A 3 8.853 -2.734 -0.461 1.00 0.00 C ATOM 41 CD1 TRP A 3 9.581 -1.599 -0.560 1.00 0.00 C ATOM 42 CD2 TRP A 3 9.083 -3.253 0.880 1.00 0.00 C ATOM 43 NE1 TRP A 3 10.243 -1.386 0.635 1.00 0.00 N ATOM 44 CE2 TRP A 3 9.968 -2.380 1.555 1.00 0.00 C ATOM 45 CE3 TRP A 3 8.614 -4.385 1.571 1.00 0.00 C ATOM 46 CZ2 TRP A 3 10.375 -2.621 2.868 1.00 0.00 C ATOM 47 CZ3 TRP A 3 9.021 -4.631 2.893 1.00 0.00 C ATOM 48 CH2 TRP A 3 9.899 -3.750 3.540 1.00 0.00 C ATOM 0 H TRP A 3 9.366 -1.829 -3.184 1.00 0.00 H new ATOM 0 HA TRP A 3 9.484 -4.674 -2.288 1.00 0.00 H new ATOM 0 HB2 TRP A 3 7.330 -2.533 -1.940 1.00 0.00 H new ATOM 0 HB3 TRP A 3 7.366 -4.098 -1.151 1.00 0.00 H new ATOM 0 HD1 TRP A 3 9.636 -0.962 -1.431 1.00 0.00 H new ATOM 0 HE1 TRP A 3 10.859 -0.593 0.815 1.00 0.00 H new ATOM 0 HE3 TRP A 3 7.937 -5.069 1.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 11.053 -1.940 3.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 8.655 -5.504 3.414 1.00 0.00 H new ATOM 0 HH2 TRP A 3 10.207 -3.944 4.557 1.00 0.00 H new ATOM 59 N TRP A 4 7.157 -5.296 -3.565 1.00 0.00 N ATOM 60 CA TRP A 4 6.263 -5.822 -4.644 1.00 0.00 C ATOM 61 C TRP A 4 4.886 -6.120 -4.051 1.00 0.00 C ATOM 62 O TRP A 4 4.753 -6.903 -3.132 1.00 0.00 O ATOM 63 CB TRP A 4 6.859 -7.110 -5.217 1.00 0.00 C ATOM 64 CG TRP A 4 8.300 -6.890 -5.550 1.00 0.00 C ATOM 65 CD1 TRP A 4 9.297 -6.771 -4.643 1.00 0.00 C ATOM 66 CD2 TRP A 4 8.921 -6.761 -6.861 1.00 0.00 C ATOM 67 NE1 TRP A 4 10.491 -6.577 -5.315 1.00 0.00 N ATOM 68 CE2 TRP A 4 10.310 -6.564 -6.684 1.00 0.00 C ATOM 69 CE3 TRP A 4 8.418 -6.796 -8.174 1.00 0.00 C ATOM 70 CZ2 TRP A 4 11.172 -6.406 -7.771 1.00 0.00 C ATOM 71 CZ3 TRP A 4 9.281 -6.638 -9.270 1.00 0.00 C ATOM 72 CH2 TRP A 4 10.655 -6.443 -9.069 1.00 0.00 C ATOM 0 H TRP A 4 7.043 -5.742 -2.655 1.00 0.00 H new ATOM 0 HA TRP A 4 6.170 -5.081 -5.438 1.00 0.00 H new ATOM 0 HB2 TRP A 4 6.762 -7.921 -4.495 1.00 0.00 H new ATOM 0 HB3 TRP A 4 6.311 -7.411 -6.110 1.00 0.00 H new ATOM 0 HD1 TRP A 4 9.180 -6.819 -3.570 1.00 0.00 H new ATOM 0 HE1 TRP A 4 11.394 -6.458 -4.856 1.00 0.00 H new ATOM 0 HE3 TRP A 4 7.361 -6.945 -8.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 12.229 -6.256 -7.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 8.884 -6.667 -10.274 1.00 0.00 H new ATOM 0 HH2 TRP A 4 11.313 -6.321 -9.917 1.00 0.00 H new ATOM 83 N VAL A 5 3.857 -5.500 -4.565 1.00 0.00 N ATOM 84 CA VAL A 5 2.495 -5.753 -4.017 1.00 0.00 C ATOM 85 C VAL A 5 2.014 -7.140 -4.447 1.00 0.00 C ATOM 86 O VAL A 5 2.145 -7.529 -5.591 1.00 0.00 O ATOM 87 CB VAL A 5 1.526 -4.692 -4.540 1.00 0.00 C ATOM 88 CG1 VAL A 5 1.940 -3.317 -4.015 1.00 0.00 C ATOM 89 CG2 VAL A 5 1.554 -4.679 -6.069 1.00 0.00 C ATOM 0 H VAL A 5 3.901 -4.834 -5.336 1.00 0.00 H new ATOM 0 HA VAL A 5 2.532 -5.706 -2.929 1.00 0.00 H new ATOM 0 HB VAL A 5 0.518 -4.926 -4.197 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.249 -2.562 -4.388 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.918 -3.322 -2.925 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.949 -3.086 -4.357 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.863 -3.922 -6.439 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.562 -4.448 -6.412 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.257 -5.657 -6.447 1.00 0.00 H new ATOM 99 N LYS A 6 1.452 -7.891 -3.534 1.00 0.00 N ATOM 100 CA LYS A 6 0.949 -9.257 -3.875 1.00 0.00 C ATOM 101 C LYS A 6 -0.567 -9.197 -4.070 1.00 0.00 C ATOM 102 O LYS A 6 -1.129 -9.901 -4.884 1.00 0.00 O ATOM 103 CB LYS A 6 1.274 -10.217 -2.728 1.00 0.00 C ATOM 104 CG LYS A 6 1.047 -11.658 -3.189 1.00 0.00 C ATOM 105 CD LYS A 6 1.360 -12.618 -2.039 1.00 0.00 C ATOM 106 CE LYS A 6 0.993 -14.045 -2.450 1.00 0.00 C ATOM 107 NZ LYS A 6 -0.491 -14.183 -2.498 1.00 0.00 N ATOM 0 H LYS A 6 1.319 -7.615 -2.561 1.00 0.00 H new ATOM 0 HA LYS A 6 1.425 -9.608 -4.790 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.308 -10.084 -2.410 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.645 -9.996 -1.866 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.015 -11.788 -3.515 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.682 -11.881 -4.046 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.418 -12.563 -1.783 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.801 -12.330 -1.149 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.422 -14.276 -3.425 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.412 -14.758 -1.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.759 -15.149 -2.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.924 -13.502 -1.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.826 -13.995 -3.464 1.00 0.00 H new ATOM 121 N LYS A 7 -1.232 -8.352 -3.326 1.00 0.00 N ATOM 122 CA LYS A 7 -2.713 -8.231 -3.459 1.00 0.00 C ATOM 123 C LYS A 7 -3.136 -6.814 -3.066 1.00 0.00 C ATOM 124 O LYS A 7 -2.366 -6.063 -2.497 1.00 0.00 O ATOM 125 CB LYS A 7 -3.395 -9.239 -2.531 1.00 0.00 C ATOM 126 CG LYS A 7 -3.263 -10.649 -3.113 1.00 0.00 C ATOM 127 CD LYS A 7 -4.101 -11.624 -2.284 1.00 0.00 C ATOM 128 CE LYS A 7 -4.156 -12.979 -2.991 1.00 0.00 C ATOM 129 NZ LYS A 7 -2.770 -13.479 -3.215 1.00 0.00 N ATOM 0 H LYS A 7 -0.810 -7.738 -2.629 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.006 -8.433 -4.489 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.942 -9.200 -1.540 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.447 -8.982 -2.410 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.596 -10.658 -4.151 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.218 -10.958 -3.111 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.668 -11.738 -1.290 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.109 -11.231 -2.150 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.719 -13.693 -2.389 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.678 -12.884 -3.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.555 -13.461 -4.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.095 -12.871 -2.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.691 -14.454 -2.861 1.00 0.00 H new ATOM 143 N VAL A 8 -4.350 -6.437 -3.362 1.00 0.00 N ATOM 144 CA VAL A 8 -4.809 -5.066 -3.001 1.00 0.00 C ATOM 145 C VAL A 8 -6.338 -5.015 -3.007 1.00 0.00 C ATOM 146 O VAL A 8 -6.994 -5.767 -3.702 1.00 0.00 O ATOM 147 CB VAL A 8 -4.254 -4.058 -4.014 1.00 0.00 C ATOM 148 CG1 VAL A 8 -4.582 -4.528 -5.433 1.00 0.00 C ATOM 149 CG2 VAL A 8 -4.882 -2.679 -3.773 1.00 0.00 C ATOM 0 H VAL A 8 -5.042 -7.017 -3.837 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.447 -4.814 -2.004 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.173 -3.986 -3.894 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.188 -3.812 -6.154 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.129 -5.504 -5.607 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.663 -4.603 -5.551 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.484 -1.967 -4.496 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.964 -2.747 -3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.645 -2.343 -2.764 1.00 0.00 H new ATOM 159 N GLN A 9 -6.906 -4.123 -2.236 1.00 0.00 N ATOM 160 CA GLN A 9 -8.396 -3.995 -2.178 1.00 0.00 C ATOM 161 C GLN A 9 -8.774 -2.513 -2.239 1.00 0.00 C ATOM 162 O GLN A 9 -8.294 -1.708 -1.464 1.00 0.00 O ATOM 163 CB GLN A 9 -8.907 -4.597 -0.867 1.00 0.00 C ATOM 164 CG GLN A 9 -8.251 -5.960 -0.641 1.00 0.00 C ATOM 165 CD GLN A 9 -8.875 -6.631 0.584 1.00 0.00 C ATOM 166 OE1 GLN A 9 -9.655 -6.025 1.291 1.00 0.00 O ATOM 167 NE2 GLN A 9 -8.563 -7.866 0.867 1.00 0.00 N ATOM 0 H GLN A 9 -6.397 -3.471 -1.638 1.00 0.00 H new ATOM 0 HA GLN A 9 -8.844 -4.524 -3.019 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.680 -3.930 -0.035 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.991 -4.705 -0.902 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.384 -6.590 -1.521 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.178 -5.839 -0.495 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.908 -8.375 0.274 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.974 -8.322 1.682 1.00 0.00 H new ATOM 176 N ASP A 10 -9.627 -2.146 -3.155 1.00 0.00 N ATOM 177 CA ASP A 10 -10.031 -0.716 -3.269 1.00 0.00 C ATOM 178 C ASP A 10 -10.587 -0.227 -1.929 1.00 0.00 C ATOM 179 O ASP A 10 -10.772 -0.995 -1.005 1.00 0.00 O ATOM 180 CB ASP A 10 -11.105 -0.573 -4.349 1.00 0.00 C ATOM 181 CG ASP A 10 -12.183 -1.638 -4.142 1.00 0.00 C ATOM 182 OD1 ASP A 10 -11.829 -2.801 -4.044 1.00 0.00 O ATOM 183 OD2 ASP A 10 -13.346 -1.272 -4.085 1.00 0.00 O ATOM 0 H ASP A 10 -10.062 -2.775 -3.830 1.00 0.00 H new ATOM 0 HA ASP A 10 -9.161 -0.117 -3.538 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.549 0.422 -4.306 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.658 -0.680 -5.337 1.00 0.00 H new ATOM 188 N ASN A 11 -10.853 1.046 -1.817 1.00 0.00 N ATOM 189 CA ASN A 11 -11.395 1.589 -0.540 1.00 0.00 C ATOM 190 C ASN A 11 -12.872 1.214 -0.418 1.00 0.00 C ATOM 191 O ASN A 11 -13.742 2.061 -0.421 1.00 0.00 O ATOM 192 CB ASN A 11 -11.254 3.112 -0.532 1.00 0.00 C ATOM 193 CG ASN A 11 -11.940 3.696 -1.769 1.00 0.00 C ATOM 194 OD1 ASN A 11 -12.603 2.987 -2.501 1.00 0.00 O ATOM 195 ND2 ASN A 11 -11.810 4.967 -2.035 1.00 0.00 N ATOM 0 H ASN A 11 -10.718 1.735 -2.557 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.840 1.169 0.299 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.701 3.524 0.373 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.200 3.390 -0.523 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.265 5.365 -2.857 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.254 5.562 -1.421 1.00 0.00 H new ATOM 202 N ALA A 12 -13.160 -0.053 -0.311 1.00 0.00 N ATOM 203 CA ALA A 12 -14.579 -0.486 -0.191 1.00 0.00 C ATOM 204 C ALA A 12 -15.111 -0.116 1.196 1.00 0.00 C ATOM 205 O ALA A 12 -16.292 -0.216 1.463 1.00 0.00 O ATOM 206 CB ALA A 12 -14.662 -2.000 -0.385 1.00 0.00 C ATOM 0 H ALA A 12 -12.473 -0.807 -0.302 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.180 0.013 -0.952 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -15.700 -2.322 -0.298 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -14.283 -2.262 -1.373 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -14.063 -2.498 0.377 1.00 0.00 H new ATOM 212 N SER A 13 -14.250 0.314 2.080 1.00 0.00 N ATOM 213 CA SER A 13 -14.711 0.692 3.446 1.00 0.00 C ATOM 214 C SER A 13 -15.273 2.115 3.417 1.00 0.00 C ATOM 215 O SER A 13 -16.335 2.384 3.941 1.00 0.00 O ATOM 216 CB SER A 13 -13.531 0.631 4.418 1.00 0.00 C ATOM 217 OG SER A 13 -14.020 0.631 5.752 1.00 0.00 O ATOM 0 H SER A 13 -13.249 0.419 1.915 1.00 0.00 H new ATOM 0 HA SER A 13 -15.487 -0.000 3.773 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.941 -0.267 4.235 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.871 1.484 4.261 1.00 0.00 H new ATOM 0 HG SER A 13 -13.266 0.590 6.377 1.00 0.00 H new ATOM 223 N ALA A 14 -14.564 3.025 2.803 1.00 0.00 N ATOM 224 CA ALA A 14 -15.044 4.437 2.729 1.00 0.00 C ATOM 225 C ALA A 14 -13.927 5.305 2.141 1.00 0.00 C ATOM 226 O ALA A 14 -14.167 6.181 1.334 1.00 0.00 O ATOM 227 CB ALA A 14 -15.406 4.934 4.139 1.00 0.00 C ATOM 0 H ALA A 14 -13.668 2.850 2.347 1.00 0.00 H new ATOM 0 HA ALA A 14 -15.930 4.498 2.096 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.756 5.965 4.083 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -16.193 4.306 4.555 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -14.525 4.884 4.780 1.00 0.00 H new ATOM 233 N SER A 15 -12.709 5.066 2.542 1.00 0.00 N ATOM 234 CA SER A 15 -11.574 5.872 2.012 1.00 0.00 C ATOM 235 C SER A 15 -10.256 5.245 2.469 1.00 0.00 C ATOM 236 O SER A 15 -9.283 5.930 2.713 1.00 0.00 O ATOM 237 CB SER A 15 -11.671 7.303 2.543 1.00 0.00 C ATOM 238 OG SER A 15 -12.723 7.983 1.872 1.00 0.00 O ATOM 0 H SER A 15 -12.450 4.345 3.216 1.00 0.00 H new ATOM 0 HA SER A 15 -11.614 5.889 0.923 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.856 7.293 3.617 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.727 7.826 2.387 1.00 0.00 H new ATOM 0 HG SER A 15 -13.165 7.369 1.249 1.00 0.00 H new ATOM 244 N LEU A 16 -10.220 3.942 2.588 1.00 0.00 N ATOM 245 CA LEU A 16 -8.969 3.249 3.032 1.00 0.00 C ATOM 246 C LEU A 16 -8.762 1.992 2.187 1.00 0.00 C ATOM 247 O LEU A 16 -9.541 1.061 2.245 1.00 0.00 O ATOM 248 CB LEU A 16 -9.107 2.837 4.504 1.00 0.00 C ATOM 249 CG LEU A 16 -9.038 4.075 5.420 1.00 0.00 C ATOM 250 CD1 LEU A 16 -9.711 3.762 6.759 1.00 0.00 C ATOM 251 CD2 LEU A 16 -7.575 4.467 5.679 1.00 0.00 C ATOM 0 H LEU A 16 -11.008 3.323 2.396 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.121 3.923 2.914 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -10.053 2.318 4.655 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.314 2.137 4.768 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.551 4.901 4.927 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.661 4.639 7.405 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -10.754 3.496 6.588 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.198 2.928 7.238 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.542 5.343 6.327 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.056 3.639 6.162 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.087 4.698 4.732 1.00 0.00 H new ATOM 263 N CYS A 17 -7.711 1.947 1.409 1.00 0.00 N ATOM 264 CA CYS A 17 -7.446 0.742 0.571 1.00 0.00 C ATOM 265 C CYS A 17 -6.451 -0.148 1.307 1.00 0.00 C ATOM 266 O CYS A 17 -5.626 0.332 2.052 1.00 0.00 O ATOM 267 CB CYS A 17 -6.850 1.174 -0.772 1.00 0.00 C ATOM 268 SG CYS A 17 -7.799 2.566 -1.432 1.00 0.00 S ATOM 0 H CYS A 17 -7.024 2.695 1.319 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.374 0.199 0.391 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -5.806 1.460 -0.644 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.868 0.341 -1.475 1.00 0.00 H new ATOM 0 HG CYS A 17 -6.988 3.430 -1.967 1.00 0.00 H new ATOM 274 N ARG A 18 -6.519 -1.440 1.113 1.00 0.00 N ATOM 275 CA ARG A 18 -5.568 -2.363 1.810 1.00 0.00 C ATOM 276 C ARG A 18 -4.564 -2.903 0.796 1.00 0.00 C ATOM 277 O ARG A 18 -4.904 -3.185 -0.336 1.00 0.00 O ATOM 278 CB ARG A 18 -6.348 -3.527 2.425 1.00 0.00 C ATOM 279 CG ARG A 18 -7.211 -3.012 3.577 1.00 0.00 C ATOM 280 CD ARG A 18 -7.825 -4.196 4.325 1.00 0.00 C ATOM 281 NE ARG A 18 -8.810 -3.695 5.324 1.00 0.00 N ATOM 282 CZ ARG A 18 -8.396 -3.219 6.466 1.00 0.00 C ATOM 283 NH1 ARG A 18 -7.119 -3.182 6.734 1.00 0.00 N ATOM 284 NH2 ARG A 18 -9.260 -2.778 7.341 1.00 0.00 N ATOM 0 H ARG A 18 -7.193 -1.899 0.500 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.041 -1.824 2.598 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.976 -3.998 1.669 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.658 -4.290 2.786 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.607 -2.412 4.258 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.998 -2.363 3.193 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.315 -4.870 3.622 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.044 -4.769 4.824 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.808 -3.724 5.115 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.444 -3.525 6.050 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.796 -2.810 7.627 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.258 -2.806 7.131 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.937 -2.406 8.234 1.00 0.00 H new ATOM 298 N VAL A 19 -3.321 -3.042 1.190 1.00 0.00 N ATOM 299 CA VAL A 19 -2.284 -3.560 0.242 1.00 0.00 C ATOM 300 C VAL A 19 -1.349 -4.535 0.955 1.00 0.00 C ATOM 301 O VAL A 19 -0.877 -4.277 2.045 1.00 0.00 O ATOM 302 CB VAL A 19 -1.458 -2.390 -0.301 1.00 0.00 C ATOM 303 CG1 VAL A 19 -2.389 -1.321 -0.874 1.00 0.00 C ATOM 304 CG2 VAL A 19 -0.620 -1.781 0.826 1.00 0.00 C ATOM 0 H VAL A 19 -2.980 -2.820 2.125 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.787 -4.077 -0.575 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.798 -2.756 -1.088 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.797 -0.491 -1.259 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.981 -1.750 -1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.054 -0.959 -0.090 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.034 -0.949 0.435 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.279 -1.421 1.616 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.051 -2.539 1.231 1.00 0.00 H new ATOM 314 N VAL A 20 -1.057 -5.643 0.329 1.00 0.00 N ATOM 315 CA VAL A 20 -0.124 -6.636 0.939 1.00 0.00 C ATOM 316 C VAL A 20 1.252 -6.447 0.297 1.00 0.00 C ATOM 317 O VAL A 20 1.429 -6.683 -0.882 1.00 0.00 O ATOM 318 CB VAL A 20 -0.625 -8.056 0.667 1.00 0.00 C ATOM 319 CG1 VAL A 20 0.197 -9.053 1.486 1.00 0.00 C ATOM 320 CG2 VAL A 20 -2.098 -8.161 1.068 1.00 0.00 C ATOM 0 H VAL A 20 -1.427 -5.905 -0.585 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.067 -6.487 2.017 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.518 -8.282 -0.394 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.160 -10.065 1.292 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.247 -8.978 1.203 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.090 -8.828 2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.456 -9.172 0.875 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.203 -7.935 2.129 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.685 -7.451 0.486 1.00 0.00 H new ATOM 330 N LEU A 21 2.225 -6.005 1.050 1.00 0.00 N ATOM 331 CA LEU A 21 3.583 -5.779 0.464 1.00 0.00 C ATOM 332 C LEU A 21 4.471 -7.000 0.713 1.00 0.00 C ATOM 333 O LEU A 21 4.674 -7.418 1.835 1.00 0.00 O ATOM 334 CB LEU A 21 4.220 -4.554 1.124 1.00 0.00 C ATOM 335 CG LEU A 21 3.194 -3.420 1.198 1.00 0.00 C ATOM 336 CD1 LEU A 21 3.875 -2.155 1.724 1.00 0.00 C ATOM 337 CD2 LEU A 21 2.622 -3.153 -0.200 1.00 0.00 C ATOM 0 H LEU A 21 2.140 -5.791 2.044 1.00 0.00 H new ATOM 0 HA LEU A 21 3.486 -5.617 -0.610 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.570 -4.808 2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.092 -4.233 0.554 1.00 0.00 H new ATOM 0 HG LEU A 21 2.384 -3.704 1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.147 -1.345 1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.280 -2.346 2.718 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.684 -1.871 1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.892 -2.346 -0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.429 -2.868 -0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.138 -4.055 -0.574 1.00 0.00 H new ATOM 349 N GLN A 22 5.002 -7.572 -0.339 1.00 0.00 N ATOM 350 CA GLN A 22 5.885 -8.769 -0.194 1.00 0.00 C ATOM 351 C GLN A 22 7.348 -8.335 -0.305 1.00 0.00 C ATOM 352 O GLN A 22 7.682 -7.423 -1.039 1.00 0.00 O ATOM 353 CB GLN A 22 5.568 -9.771 -1.306 1.00 0.00 C ATOM 354 CG GLN A 22 6.443 -11.014 -1.137 1.00 0.00 C ATOM 355 CD GLN A 22 5.896 -12.146 -2.009 1.00 0.00 C ATOM 356 OE1 GLN A 22 5.527 -11.928 -3.146 1.00 0.00 O ATOM 357 NE2 GLN A 22 5.830 -13.355 -1.522 1.00 0.00 N ATOM 0 H GLN A 22 4.860 -7.258 -1.299 1.00 0.00 H new ATOM 0 HA GLN A 22 5.714 -9.234 0.777 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.514 -10.048 -1.271 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.747 -9.317 -2.281 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.472 -10.789 -1.418 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.459 -11.321 -0.091 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.140 -13.538 -0.568 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.469 -14.117 -2.096 1.00 0.00 H new ATOM 366 N SER A 23 8.223 -8.983 0.419 1.00 0.00 N ATOM 367 CA SER A 23 9.672 -8.615 0.363 1.00 0.00 C ATOM 368 C SER A 23 10.526 -9.881 0.464 1.00 0.00 C ATOM 369 O SER A 23 10.724 -10.424 1.532 1.00 0.00 O ATOM 370 CB SER A 23 10.005 -7.686 1.532 1.00 0.00 C ATOM 371 OG SER A 23 10.141 -8.456 2.720 1.00 0.00 O ATOM 0 H SER A 23 7.997 -9.753 1.049 1.00 0.00 H new ATOM 0 HA SER A 23 9.882 -8.109 -0.579 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.928 -7.144 1.329 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.218 -6.942 1.655 1.00 0.00 H new ATOM 0 HG SER A 23 9.812 -9.365 2.560 1.00 0.00 H new ATOM 377 N GLY A 24 11.036 -10.351 -0.642 1.00 0.00 N ATOM 378 CA GLY A 24 11.880 -11.579 -0.612 1.00 0.00 C ATOM 379 C GLY A 24 10.997 -12.805 -0.368 1.00 0.00 C ATOM 380 O GLY A 24 11.026 -13.762 -1.116 1.00 0.00 O ATOM 0 H GLY A 24 10.904 -9.937 -1.565 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.416 -11.687 -1.555 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.631 -11.497 0.174 1.00 0.00 H new ATOM 384 N ALA A 25 10.212 -12.784 0.675 1.00 0.00 N ATOM 385 CA ALA A 25 9.330 -13.948 0.966 1.00 0.00 C ATOM 386 C ALA A 25 8.352 -13.581 2.084 1.00 0.00 C ATOM 387 O ALA A 25 7.235 -14.056 2.126 1.00 0.00 O ATOM 388 CB ALA A 25 10.185 -15.138 1.407 1.00 0.00 C ATOM 0 H ALA A 25 10.144 -12.011 1.337 1.00 0.00 H new ATOM 0 HA ALA A 25 8.772 -14.214 0.068 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.540 -15.990 1.620 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.882 -15.400 0.611 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.743 -14.872 2.305 1.00 0.00 H new ATOM 394 N LEU A 26 8.763 -12.735 2.991 1.00 0.00 N ATOM 395 CA LEU A 26 7.855 -12.338 4.103 1.00 0.00 C ATOM 396 C LEU A 26 6.767 -11.408 3.561 1.00 0.00 C ATOM 397 O LEU A 26 7.024 -10.557 2.732 1.00 0.00 O ATOM 398 CB LEU A 26 8.661 -11.613 5.185 1.00 0.00 C ATOM 399 CG LEU A 26 9.977 -12.354 5.428 1.00 0.00 C ATOM 400 CD1 LEU A 26 10.728 -11.691 6.585 1.00 0.00 C ATOM 401 CD2 LEU A 26 9.685 -13.816 5.780 1.00 0.00 C ATOM 0 H LEU A 26 9.687 -12.303 3.009 1.00 0.00 H new ATOM 0 HA LEU A 26 7.392 -13.226 4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.861 -10.587 4.877 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.085 -11.562 6.109 1.00 0.00 H new ATOM 0 HG LEU A 26 10.588 -12.314 4.526 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.666 -12.218 6.759 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.937 -10.651 6.335 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.116 -11.731 7.486 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.623 -14.343 5.953 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.074 -13.858 6.681 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.150 -14.289 4.956 1.00 0.00 H new ATOM 413 N GLU A 27 5.552 -11.565 4.024 1.00 0.00 N ATOM 414 CA GLU A 27 4.436 -10.695 3.540 1.00 0.00 C ATOM 415 C GLU A 27 4.141 -9.617 4.585 1.00 0.00 C ATOM 416 O GLU A 27 4.490 -9.748 5.741 1.00 0.00 O ATOM 417 CB GLU A 27 3.183 -11.548 3.326 1.00 0.00 C ATOM 418 CG GLU A 27 3.475 -12.633 2.288 1.00 0.00 C ATOM 419 CD GLU A 27 2.194 -13.415 1.993 1.00 0.00 C ATOM 420 OE1 GLU A 27 1.460 -13.001 1.112 1.00 0.00 O ATOM 421 OE2 GLU A 27 1.969 -14.416 2.654 1.00 0.00 O ATOM 0 H GLU A 27 5.284 -12.261 4.719 1.00 0.00 H new ATOM 0 HA GLU A 27 4.723 -10.224 2.600 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.875 -12.004 4.267 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.357 -10.921 2.990 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.857 -12.182 1.372 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.248 -13.307 2.658 1.00 0.00 H new ATOM 428 N MET A 28 3.501 -8.549 4.186 1.00 0.00 N ATOM 429 CA MET A 28 3.181 -7.456 5.151 1.00 0.00 C ATOM 430 C MET A 28 1.854 -6.806 4.754 1.00 0.00 C ATOM 431 O MET A 28 1.653 -6.440 3.615 1.00 0.00 O ATOM 432 CB MET A 28 4.299 -6.408 5.112 1.00 0.00 C ATOM 433 CG MET A 28 4.200 -5.501 6.338 1.00 0.00 C ATOM 434 SD MET A 28 5.306 -4.083 6.129 1.00 0.00 S ATOM 435 CE MET A 28 6.862 -5.010 6.117 1.00 0.00 C ATOM 0 H MET A 28 3.185 -8.386 3.230 1.00 0.00 H new ATOM 0 HA MET A 28 3.098 -7.863 6.159 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.271 -6.900 5.090 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.222 -5.814 4.201 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.173 -5.159 6.469 1.00 0.00 H new ATOM 0 HG3 MET A 28 4.468 -6.056 7.237 1.00 0.00 H new ATOM 0 HE1 MET A 28 7.678 -4.355 6.421 1.00 0.00 H new ATOM 0 HE2 MET A 28 6.792 -5.848 6.810 1.00 0.00 H new ATOM 0 HE3 MET A 28 7.054 -5.386 5.112 1.00 0.00 H new ATOM 445 N ILE A 29 0.949 -6.653 5.689 1.00 0.00 N ATOM 446 CA ILE A 29 -0.372 -6.019 5.379 1.00 0.00 C ATOM 447 C ILE A 29 -0.367 -4.596 5.930 1.00 0.00 C ATOM 448 O ILE A 29 0.132 -4.346 7.009 1.00 0.00 O ATOM 449 CB ILE A 29 -1.499 -6.823 6.040 1.00 0.00 C ATOM 450 CG1 ILE A 29 -1.626 -8.179 5.345 1.00 0.00 C ATOM 451 CG2 ILE A 29 -2.822 -6.059 5.909 1.00 0.00 C ATOM 452 CD1 ILE A 29 -2.571 -9.079 6.144 1.00 0.00 C ATOM 0 H ILE A 29 1.069 -6.942 6.660 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.535 -6.003 4.301 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.269 -6.970 7.095 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.005 -8.046 4.332 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.646 -8.648 5.260 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.621 -6.632 6.379 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.733 -5.090 6.400 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.054 -5.911 4.854 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.660 -10.045 5.647 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.173 -9.223 7.149 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.553 -8.611 6.206 1.00 0.00 H new ATOM 464 N ALA A 30 -0.902 -3.653 5.200 1.00 0.00 N ATOM 465 CA ALA A 30 -0.903 -2.246 5.698 1.00 0.00 C ATOM 466 C ALA A 30 -2.145 -1.507 5.212 1.00 0.00 C ATOM 467 O ALA A 30 -2.614 -1.706 4.109 1.00 0.00 O ATOM 468 CB ALA A 30 0.350 -1.538 5.181 1.00 0.00 C ATOM 0 H ALA A 30 -1.335 -3.794 4.287 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.909 -2.251 6.788 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.360 -0.508 5.539 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.237 -2.057 5.544 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.347 -1.543 4.091 1.00 0.00 H new ATOM 474 N GLU A 31 -2.676 -0.637 6.034 1.00 0.00 N ATOM 475 CA GLU A 31 -3.883 0.141 5.630 1.00 0.00 C ATOM 476 C GLU A 31 -3.427 1.377 4.852 1.00 0.00 C ATOM 477 O GLU A 31 -2.617 2.153 5.317 1.00 0.00 O ATOM 478 CB GLU A 31 -4.659 0.567 6.881 1.00 0.00 C ATOM 479 CG GLU A 31 -5.517 -0.599 7.383 1.00 0.00 C ATOM 480 CD GLU A 31 -5.963 -0.327 8.821 1.00 0.00 C ATOM 481 OE1 GLU A 31 -6.179 0.828 9.146 1.00 0.00 O ATOM 482 OE2 GLU A 31 -6.080 -1.280 9.574 1.00 0.00 O ATOM 0 H GLU A 31 -2.324 -0.433 6.969 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.533 -0.470 5.004 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.965 0.882 7.661 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.292 1.424 6.653 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.388 -0.726 6.740 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.948 -1.528 7.338 1.00 0.00 H new ATOM 489 N ILE A 32 -3.931 1.546 3.658 1.00 0.00 N ATOM 490 CA ILE A 32 -3.532 2.709 2.801 1.00 0.00 C ATOM 491 C ILE A 32 -4.718 3.670 2.648 1.00 0.00 C ATOM 492 O ILE A 32 -5.864 3.266 2.626 1.00 0.00 O ATOM 493 CB ILE A 32 -3.095 2.160 1.423 1.00 0.00 C ATOM 494 CG1 ILE A 32 -1.607 1.772 1.457 1.00 0.00 C ATOM 495 CG2 ILE A 32 -3.307 3.207 0.321 1.00 0.00 C ATOM 496 CD1 ILE A 32 -1.301 0.907 2.684 1.00 0.00 C ATOM 0 H ILE A 32 -4.613 0.919 3.231 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.708 3.258 3.257 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.705 1.284 1.205 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.347 1.228 0.549 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.992 2.672 1.477 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.992 2.795 -0.638 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.363 3.475 0.271 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.718 4.096 0.545 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.243 0.644 2.689 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.541 1.463 3.590 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.901 -0.002 2.647 1.00 0.00 H new ATOM 508 N GLU A 33 -4.432 4.944 2.530 1.00 0.00 N ATOM 509 CA GLU A 33 -5.507 5.971 2.363 1.00 0.00 C ATOM 510 C GLU A 33 -5.297 6.696 1.030 1.00 0.00 C ATOM 511 O GLU A 33 -4.472 7.582 0.922 1.00 0.00 O ATOM 512 CB GLU A 33 -5.414 6.980 3.510 1.00 0.00 C ATOM 513 CG GLU A 33 -6.697 7.813 3.566 1.00 0.00 C ATOM 514 CD GLU A 33 -6.514 8.967 4.552 1.00 0.00 C ATOM 515 OE1 GLU A 33 -5.967 8.729 5.616 1.00 0.00 O ATOM 516 OE2 GLU A 33 -6.924 10.069 4.226 1.00 0.00 O ATOM 0 H GLU A 33 -3.484 5.321 2.543 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.487 5.494 2.373 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.265 6.458 4.456 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.552 7.631 3.366 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.934 8.201 2.576 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.536 7.188 3.873 1.00 0.00 H new ATOM 523 N ALA A 34 -6.031 6.329 0.011 1.00 0.00 N ATOM 524 CA ALA A 34 -5.862 7.001 -1.315 1.00 0.00 C ATOM 525 C ALA A 34 -7.208 7.072 -2.035 1.00 0.00 C ATOM 526 O ALA A 34 -8.242 6.755 -1.480 1.00 0.00 O ATOM 527 CB ALA A 34 -4.878 6.200 -2.170 1.00 0.00 C ATOM 0 H ALA A 34 -6.739 5.595 0.038 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.480 8.010 -1.158 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.754 6.689 -3.136 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.914 6.148 -1.663 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.264 5.192 -2.320 1.00 0.00 H new ATOM 533 N CYS A 35 -7.199 7.485 -3.275 1.00 0.00 N ATOM 534 CA CYS A 35 -8.467 7.581 -4.055 1.00 0.00 C ATOM 535 C CYS A 35 -8.175 7.243 -5.517 1.00 0.00 C ATOM 536 O CYS A 35 -9.072 7.053 -6.314 1.00 0.00 O ATOM 537 CB CYS A 35 -9.018 9.006 -3.962 1.00 0.00 C ATOM 538 SG CYS A 35 -9.488 9.359 -2.250 1.00 0.00 S ATOM 0 H CYS A 35 -6.360 7.762 -3.785 1.00 0.00 H new ATOM 0 HA CYS A 35 -9.202 6.884 -3.653 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -8.267 9.721 -4.299 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -9.881 9.117 -4.618 1.00 0.00 H new ATOM 0 HG CYS A 35 -9.256 8.314 -1.512 1.00 0.00 H new ATOM 544 N ARG A 36 -6.921 7.161 -5.874 1.00 0.00 N ATOM 545 CA ARG A 36 -6.565 6.829 -7.281 1.00 0.00 C ATOM 546 C ARG A 36 -6.848 5.348 -7.536 1.00 0.00 C ATOM 547 O ARG A 36 -7.267 4.962 -8.609 1.00 0.00 O ATOM 548 CB ARG A 36 -5.079 7.112 -7.514 1.00 0.00 C ATOM 549 CG ARG A 36 -4.819 8.615 -7.390 1.00 0.00 C ATOM 550 CD ARG A 36 -3.321 8.889 -7.531 1.00 0.00 C ATOM 551 NE ARG A 36 -3.074 10.355 -7.443 1.00 0.00 N ATOM 552 CZ ARG A 36 -3.315 11.121 -8.472 1.00 0.00 C ATOM 553 NH1 ARG A 36 -3.771 10.602 -9.579 1.00 0.00 N ATOM 554 NH2 ARG A 36 -3.097 12.406 -8.394 1.00 0.00 N ATOM 0 H ARG A 36 -6.128 7.310 -5.250 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.159 7.438 -7.962 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.476 6.567 -6.788 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.782 6.761 -8.502 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.372 9.155 -8.159 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.176 8.978 -6.426 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.770 8.369 -6.747 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.958 8.505 -8.484 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.716 10.761 -6.578 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.939 9.598 -9.640 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.959 11.201 -10.383 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.738 12.811 -7.529 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.285 13.005 -9.198 1.00 0.00 H new ATOM 568 N LEU A 37 -6.626 4.517 -6.551 1.00 0.00 N ATOM 569 CA LEU A 37 -6.882 3.060 -6.724 1.00 0.00 C ATOM 570 C LEU A 37 -6.310 2.591 -8.066 1.00 0.00 C ATOM 571 O LEU A 37 -6.790 1.649 -8.664 1.00 0.00 O ATOM 572 CB LEU A 37 -8.392 2.811 -6.682 1.00 0.00 C ATOM 573 CG LEU A 37 -9.027 3.699 -5.609 1.00 0.00 C ATOM 574 CD1 LEU A 37 -10.505 3.339 -5.455 1.00 0.00 C ATOM 575 CD2 LEU A 37 -8.312 3.483 -4.272 1.00 0.00 C ATOM 0 H LEU A 37 -6.277 4.788 -5.632 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.399 2.502 -5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.834 3.026 -7.655 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -8.592 1.762 -6.466 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.934 4.743 -5.907 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.956 3.972 -4.691 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.018 3.494 -6.404 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.596 2.294 -5.160 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.766 4.116 -3.510 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.402 2.438 -3.976 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.258 3.741 -4.377 1.00 0.00 H new ATOM 587 N ARG A 38 -5.288 3.250 -8.544 1.00 0.00 N ATOM 588 CA ARG A 38 -4.679 2.856 -9.849 1.00 0.00 C ATOM 589 C ARG A 38 -3.606 1.787 -9.610 1.00 0.00 C ATOM 590 O ARG A 38 -2.917 1.370 -10.520 1.00 0.00 O ATOM 591 CB ARG A 38 -4.045 4.094 -10.503 1.00 0.00 C ATOM 592 CG ARG A 38 -3.902 3.874 -12.014 1.00 0.00 C ATOM 593 CD ARG A 38 -2.932 4.906 -12.593 1.00 0.00 C ATOM 594 NE ARG A 38 -2.976 4.849 -14.082 1.00 0.00 N ATOM 595 CZ ARG A 38 -2.416 5.792 -14.788 1.00 0.00 C ATOM 596 NH1 ARG A 38 -1.817 6.786 -14.192 1.00 0.00 N ATOM 597 NH2 ARG A 38 -2.456 5.741 -16.092 1.00 0.00 N ATOM 0 H ARG A 38 -4.847 4.047 -8.085 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.447 2.450 -10.508 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.662 4.972 -10.312 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.068 4.288 -10.061 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.537 2.866 -12.212 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.875 3.962 -12.498 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.199 5.905 -12.249 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.920 4.707 -12.241 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.444 4.072 -14.549 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.786 6.826 -13.173 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.379 7.523 -14.745 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.925 4.964 -16.558 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.018 6.478 -16.645 1.00 0.00 H new ATOM 611 N LEU A 39 -3.457 1.342 -8.394 1.00 0.00 N ATOM 612 CA LEU A 39 -2.430 0.303 -8.103 1.00 0.00 C ATOM 613 C LEU A 39 -2.818 -1.002 -8.803 1.00 0.00 C ATOM 614 O LEU A 39 -3.932 -1.165 -9.260 1.00 0.00 O ATOM 615 CB LEU A 39 -2.348 0.074 -6.590 1.00 0.00 C ATOM 616 CG LEU A 39 -1.545 1.204 -5.938 1.00 0.00 C ATOM 617 CD1 LEU A 39 -2.134 2.559 -6.343 1.00 0.00 C ATOM 618 CD2 LEU A 39 -1.606 1.055 -4.416 1.00 0.00 C ATOM 0 H LEU A 39 -4.001 1.652 -7.589 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.458 0.636 -8.469 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.350 0.035 -6.164 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.876 -0.886 -6.383 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.508 1.150 -6.271 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.560 3.359 -5.877 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.091 2.665 -7.427 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.171 2.618 -6.014 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.035 1.858 -3.949 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.644 1.108 -4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.182 0.093 -4.127 1.00 0.00 H new ATOM 630 N ARG A 40 -1.906 -1.933 -8.890 1.00 0.00 N ATOM 631 CA ARG A 40 -2.220 -3.228 -9.560 1.00 0.00 C ATOM 632 C ARG A 40 -1.307 -4.322 -9.003 1.00 0.00 C ATOM 633 O ARG A 40 -0.297 -4.049 -8.390 1.00 0.00 O ATOM 634 CB ARG A 40 -1.993 -3.090 -11.069 1.00 0.00 C ATOM 635 CG ARG A 40 -2.664 -4.255 -11.802 1.00 0.00 C ATOM 636 CD ARG A 40 -2.559 -4.036 -13.312 1.00 0.00 C ATOM 637 NE ARG A 40 -3.156 -2.718 -13.665 1.00 0.00 N ATOM 638 CZ ARG A 40 -2.901 -2.175 -14.825 1.00 0.00 C ATOM 639 NH1 ARG A 40 -2.124 -2.788 -15.675 1.00 0.00 N ATOM 640 NH2 ARG A 40 -3.424 -1.020 -15.135 1.00 0.00 N ATOM 0 H ARG A 40 -0.957 -1.853 -8.526 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.261 -3.493 -9.373 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.400 -2.143 -11.422 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.925 -3.078 -11.286 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.187 -5.195 -11.526 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.711 -4.330 -11.507 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.515 -4.069 -13.623 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.076 -4.835 -13.843 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.764 -2.239 -13.001 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.716 -3.691 -15.433 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.925 -2.364 -16.581 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.032 -0.541 -14.471 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.224 -0.596 -16.041 1.00 0.00 H new ATOM 654 N GLU A 41 -1.658 -5.559 -9.212 1.00 0.00 N ATOM 655 CA GLU A 41 -0.816 -6.674 -8.694 1.00 0.00 C ATOM 656 C GLU A 41 0.528 -6.685 -9.425 1.00 0.00 C ATOM 657 O GLU A 41 0.590 -6.574 -10.633 1.00 0.00 O ATOM 658 CB GLU A 41 -1.534 -8.005 -8.928 1.00 0.00 C ATOM 659 CG GLU A 41 -2.804 -8.055 -8.076 1.00 0.00 C ATOM 660 CD GLU A 41 -3.547 -9.365 -8.344 1.00 0.00 C ATOM 661 OE1 GLU A 41 -2.885 -10.363 -8.573 1.00 0.00 O ATOM 662 OE2 GLU A 41 -4.767 -9.348 -8.315 1.00 0.00 O ATOM 0 H GLU A 41 -2.494 -5.848 -9.720 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.646 -6.534 -7.627 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.786 -8.114 -9.983 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.877 -8.835 -8.670 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.549 -7.979 -7.019 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.446 -7.206 -8.311 1.00 0.00 H new ATOM 669 N GLY A 42 1.607 -6.826 -8.701 1.00 0.00 N ATOM 670 CA GLY A 42 2.951 -6.852 -9.350 1.00 0.00 C ATOM 671 C GLY A 42 3.483 -5.425 -9.504 1.00 0.00 C ATOM 672 O GLY A 42 4.400 -5.175 -10.262 1.00 0.00 O ATOM 0 H GLY A 42 1.615 -6.925 -7.686 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.642 -7.444 -8.751 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.884 -7.332 -10.326 1.00 0.00 H new ATOM 676 N ASP A 43 2.921 -4.486 -8.792 1.00 0.00 N ATOM 677 CA ASP A 43 3.405 -3.081 -8.905 1.00 0.00 C ATOM 678 C ASP A 43 4.717 -2.927 -8.130 1.00 0.00 C ATOM 679 O ASP A 43 4.872 -3.451 -7.041 1.00 0.00 O ATOM 680 CB ASP A 43 2.357 -2.126 -8.328 1.00 0.00 C ATOM 681 CG ASP A 43 2.655 -0.698 -8.787 1.00 0.00 C ATOM 682 OD1 ASP A 43 3.798 -0.431 -9.123 1.00 0.00 O ATOM 683 OD2 ASP A 43 1.738 0.106 -8.795 1.00 0.00 O ATOM 0 H ASP A 43 2.151 -4.630 -8.139 1.00 0.00 H new ATOM 0 HA ASP A 43 3.572 -2.842 -9.955 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.361 -2.423 -8.655 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.364 -2.178 -7.239 1.00 0.00 H new ATOM 688 N LYS A 44 5.661 -2.211 -8.685 1.00 0.00 N ATOM 689 CA LYS A 44 6.969 -2.010 -7.993 1.00 0.00 C ATOM 690 C LYS A 44 6.912 -0.727 -7.161 1.00 0.00 C ATOM 691 O LYS A 44 6.748 0.359 -7.687 1.00 0.00 O ATOM 692 CB LYS A 44 8.082 -1.888 -9.036 1.00 0.00 C ATOM 693 CG LYS A 44 7.997 -3.061 -10.014 1.00 0.00 C ATOM 694 CD LYS A 44 9.093 -2.924 -11.073 1.00 0.00 C ATOM 695 CE LYS A 44 8.829 -3.909 -12.213 1.00 0.00 C ATOM 696 NZ LYS A 44 9.994 -3.915 -13.144 1.00 0.00 N ATOM 0 H LYS A 44 5.581 -1.754 -9.594 1.00 0.00 H new ATOM 0 HA LYS A 44 7.170 -2.860 -7.341 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.989 -0.945 -9.574 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.055 -1.880 -8.545 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.110 -4.004 -9.478 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.017 -3.081 -10.490 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.116 -1.904 -11.458 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.069 -3.119 -10.629 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.664 -4.909 -11.813 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.923 -3.627 -12.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.815 -4.585 -13.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.131 -2.961 -13.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.849 -4.204 -12.628 1.00 0.00 H new ATOM 710 N LEU A 45 7.043 -0.847 -5.861 1.00 0.00 N ATOM 711 CA LEU A 45 6.995 0.354 -4.969 1.00 0.00 C ATOM 712 C LEU A 45 8.400 0.670 -4.450 1.00 0.00 C ATOM 713 O LEU A 45 9.011 -0.126 -3.765 1.00 0.00 O ATOM 714 CB LEU A 45 6.082 0.057 -3.778 1.00 0.00 C ATOM 715 CG LEU A 45 4.761 -0.541 -4.272 1.00 0.00 C ATOM 716 CD1 LEU A 45 3.830 -0.766 -3.077 1.00 0.00 C ATOM 717 CD2 LEU A 45 4.097 0.419 -5.266 1.00 0.00 C ATOM 0 H LEU A 45 7.182 -1.734 -5.376 1.00 0.00 H new ATOM 0 HA LEU A 45 6.614 1.206 -5.532 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.573 -0.637 -3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.890 0.972 -3.218 1.00 0.00 H new ATOM 0 HG LEU A 45 4.956 -1.491 -4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.889 -1.192 -3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.301 -1.452 -2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.637 0.186 -2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.158 -0.011 -5.615 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.900 1.372 -4.775 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.760 0.579 -6.116 1.00 0.00 H new ATOM 729 N THR A 46 8.915 1.832 -4.771 1.00 0.00 N ATOM 730 CA THR A 46 10.283 2.224 -4.302 1.00 0.00 C ATOM 731 C THR A 46 10.142 3.240 -3.157 1.00 0.00 C ATOM 732 O THR A 46 9.122 3.888 -3.025 1.00 0.00 O ATOM 733 CB THR A 46 11.070 2.865 -5.471 1.00 0.00 C ATOM 734 OG1 THR A 46 11.194 4.266 -5.263 1.00 0.00 O ATOM 735 CG2 THR A 46 10.348 2.618 -6.800 1.00 0.00 C ATOM 0 H THR A 46 8.443 2.532 -5.343 1.00 0.00 H new ATOM 0 HA THR A 46 10.821 1.343 -3.952 1.00 0.00 H new ATOM 0 HB THR A 46 12.060 2.410 -5.509 1.00 0.00 H new ATOM 0 HG1 THR A 46 10.335 4.701 -5.447 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.914 3.075 -7.612 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.264 1.545 -6.975 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.352 3.058 -6.760 1.00 0.00 H new ATOM 743 N PRO A 47 11.156 3.386 -2.339 1.00 0.00 N ATOM 744 CA PRO A 47 11.134 4.350 -1.199 1.00 0.00 C ATOM 745 C PRO A 47 11.301 5.799 -1.675 1.00 0.00 C ATOM 746 O PRO A 47 12.278 6.143 -2.308 1.00 0.00 O ATOM 747 CB PRO A 47 12.331 3.913 -0.344 1.00 0.00 C ATOM 748 CG PRO A 47 13.293 3.322 -1.322 1.00 0.00 C ATOM 749 CD PRO A 47 12.436 2.653 -2.404 1.00 0.00 C ATOM 0 HA PRO A 47 10.188 4.335 -0.658 1.00 0.00 H new ATOM 0 HB2 PRO A 47 12.771 4.759 0.184 1.00 0.00 H new ATOM 0 HB3 PRO A 47 12.035 3.185 0.411 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.934 4.091 -1.752 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.946 2.596 -0.837 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.896 2.737 -3.388 1.00 0.00 H new ATOM 0 HD3 PRO A 47 12.299 1.590 -2.206 1.00 0.00 H new ATOM 757 N LEU A 48 10.354 6.649 -1.379 1.00 0.00 N ATOM 758 CA LEU A 48 10.463 8.069 -1.822 1.00 0.00 C ATOM 759 C LEU A 48 11.366 8.838 -0.854 1.00 0.00 C ATOM 760 O LEU A 48 12.267 9.542 -1.262 1.00 0.00 O ATOM 761 CB LEU A 48 9.065 8.703 -1.842 1.00 0.00 C ATOM 762 CG LEU A 48 9.163 10.215 -2.101 1.00 0.00 C ATOM 763 CD1 LEU A 48 10.016 10.484 -3.347 1.00 0.00 C ATOM 764 CD2 LEU A 48 7.753 10.774 -2.318 1.00 0.00 C ATOM 0 H LEU A 48 9.512 6.422 -0.851 1.00 0.00 H new ATOM 0 HA LEU A 48 10.893 8.109 -2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.458 8.234 -2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.564 8.523 -0.891 1.00 0.00 H new ATOM 0 HG LEU A 48 9.630 10.699 -1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.078 11.558 -3.520 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.018 10.082 -3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.559 10.003 -4.212 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.811 11.847 -2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.295 10.282 -3.176 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.148 10.591 -1.430 1.00 0.00 H new ATOM 776 N ALA A 49 11.133 8.715 0.426 1.00 0.00 N ATOM 777 CA ALA A 49 11.982 9.449 1.408 1.00 0.00 C ATOM 778 C ALA A 49 11.925 8.757 2.773 1.00 0.00 C ATOM 779 O ALA A 49 12.737 7.907 3.082 1.00 0.00 O ATOM 780 CB ALA A 49 11.473 10.884 1.547 1.00 0.00 C ATOM 0 H ALA A 49 10.395 8.140 0.832 1.00 0.00 H new ATOM 0 HA ALA A 49 13.013 9.455 1.053 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.093 11.422 2.265 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.522 11.383 0.579 1.00 0.00 H new ATOM 0 HB3 ALA A 49 10.441 10.872 1.897 1.00 0.00 H new ATOM 786 N ASP A 50 10.981 9.124 3.600 1.00 0.00 N ATOM 787 CA ASP A 50 10.882 8.500 4.955 1.00 0.00 C ATOM 788 C ASP A 50 9.979 7.266 4.900 1.00 0.00 C ATOM 789 O ASP A 50 10.307 6.223 5.431 1.00 0.00 O ATOM 790 CB ASP A 50 10.289 9.514 5.935 1.00 0.00 C ATOM 791 CG ASP A 50 11.183 10.754 5.989 1.00 0.00 C ATOM 792 OD1 ASP A 50 12.214 10.689 6.639 1.00 0.00 O ATOM 793 OD2 ASP A 50 10.822 11.748 5.380 1.00 0.00 O ATOM 0 H ASP A 50 10.273 9.830 3.396 1.00 0.00 H new ATOM 0 HA ASP A 50 11.877 8.201 5.284 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.282 9.792 5.623 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.204 9.070 6.927 1.00 0.00 H new ATOM 798 N ALA A 51 8.839 7.374 4.271 1.00 0.00 N ATOM 799 CA ALA A 51 7.912 6.204 4.195 1.00 0.00 C ATOM 800 C ALA A 51 7.063 6.285 2.923 1.00 0.00 C ATOM 801 O ALA A 51 6.630 5.281 2.393 1.00 0.00 O ATOM 802 CB ALA A 51 6.992 6.206 5.417 1.00 0.00 C ATOM 0 H ALA A 51 8.509 8.220 3.807 1.00 0.00 H new ATOM 0 HA ALA A 51 8.499 5.286 4.174 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.315 5.354 5.364 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.592 6.137 6.324 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.413 7.129 5.435 1.00 0.00 H new ATOM 808 N ARG A 52 6.817 7.468 2.425 1.00 0.00 N ATOM 809 CA ARG A 52 5.993 7.601 1.189 1.00 0.00 C ATOM 810 C ARG A 52 6.499 6.608 0.137 1.00 0.00 C ATOM 811 O ARG A 52 7.682 6.517 -0.124 1.00 0.00 O ATOM 812 CB ARG A 52 6.112 9.033 0.651 1.00 0.00 C ATOM 813 CG ARG A 52 5.194 9.967 1.447 1.00 0.00 C ATOM 814 CD ARG A 52 5.586 9.941 2.925 1.00 0.00 C ATOM 815 NE ARG A 52 4.967 11.103 3.623 1.00 0.00 N ATOM 816 CZ ARG A 52 5.484 12.294 3.492 1.00 0.00 C ATOM 817 NH1 ARG A 52 6.545 12.467 2.752 1.00 0.00 N ATOM 818 NH2 ARG A 52 4.941 13.312 4.102 1.00 0.00 N ATOM 0 H ARG A 52 7.151 8.347 2.821 1.00 0.00 H new ATOM 0 HA ARG A 52 4.948 7.388 1.416 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.145 9.374 0.725 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.843 9.058 -0.405 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.269 10.983 1.059 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.155 9.657 1.331 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.255 9.009 3.384 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.671 9.978 3.025 1.00 0.00 H new ATOM 0 HE ARG A 52 4.139 10.967 4.203 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.970 11.671 2.276 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.949 13.398 2.650 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.112 13.177 4.681 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.345 14.243 4.000 1.00 0.00 H new ATOM 832 N TYR A 53 5.609 5.858 -0.463 1.00 0.00 N ATOM 833 CA TYR A 53 6.026 4.860 -1.498 1.00 0.00 C ATOM 834 C TYR A 53 5.692 5.402 -2.890 1.00 0.00 C ATOM 835 O TYR A 53 4.604 5.884 -3.129 1.00 0.00 O ATOM 836 CB TYR A 53 5.259 3.553 -1.266 1.00 0.00 C ATOM 837 CG TYR A 53 5.872 2.802 -0.107 1.00 0.00 C ATOM 838 CD1 TYR A 53 7.010 2.013 -0.309 1.00 0.00 C ATOM 839 CD2 TYR A 53 5.301 2.894 1.169 1.00 0.00 C ATOM 840 CE1 TYR A 53 7.578 1.316 0.765 1.00 0.00 C ATOM 841 CE2 TYR A 53 5.869 2.198 2.241 1.00 0.00 C ATOM 842 CZ TYR A 53 7.008 1.409 2.039 1.00 0.00 C ATOM 843 OH TYR A 53 7.568 0.723 3.098 1.00 0.00 O ATOM 0 H TYR A 53 4.606 5.894 -0.280 1.00 0.00 H new ATOM 0 HA TYR A 53 7.098 4.679 -1.426 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.210 3.767 -1.059 1.00 0.00 H new ATOM 0 HB3 TYR A 53 5.288 2.939 -2.166 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.450 1.942 -1.293 1.00 0.00 H new ATOM 0 HD2 TYR A 53 4.422 3.502 1.325 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.456 0.707 0.609 1.00 0.00 H new ATOM 0 HE2 TYR A 53 5.429 2.269 3.225 1.00 0.00 H new ATOM 0 HH TYR A 53 7.050 0.898 3.911 1.00 0.00 H new ATOM 853 N CYS A 54 6.622 5.317 -3.813 1.00 0.00 N ATOM 854 CA CYS A 54 6.371 5.816 -5.205 1.00 0.00 C ATOM 855 C CYS A 54 6.326 4.622 -6.158 1.00 0.00 C ATOM 856 O CYS A 54 7.270 3.864 -6.264 1.00 0.00 O ATOM 857 CB CYS A 54 7.503 6.758 -5.619 1.00 0.00 C ATOM 858 SG CYS A 54 9.050 5.829 -5.747 1.00 0.00 S ATOM 0 H CYS A 54 7.550 4.921 -3.661 1.00 0.00 H new ATOM 0 HA CYS A 54 5.424 6.354 -5.242 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.268 7.227 -6.575 1.00 0.00 H new ATOM 0 HB3 CYS A 54 7.608 7.560 -4.888 1.00 0.00 H new ATOM 0 HG CYS A 54 8.786 4.563 -5.883 1.00 0.00 H new ATOM 864 N LEU A 55 5.234 4.440 -6.852 1.00 0.00 N ATOM 865 CA LEU A 55 5.129 3.286 -7.796 1.00 0.00 C ATOM 866 C LEU A 55 5.594 3.718 -9.187 1.00 0.00 C ATOM 867 O LEU A 55 5.408 4.849 -9.589 1.00 0.00 O ATOM 868 CB LEU A 55 3.672 2.799 -7.860 1.00 0.00 C ATOM 869 CG LEU A 55 2.712 3.966 -8.230 1.00 0.00 C ATOM 870 CD1 LEU A 55 2.386 3.940 -9.730 1.00 0.00 C ATOM 871 CD2 LEU A 55 1.401 3.835 -7.439 1.00 0.00 C ATOM 0 H LEU A 55 4.410 5.039 -6.807 1.00 0.00 H new ATOM 0 HA LEU A 55 5.762 2.472 -7.443 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.583 2.002 -8.598 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.383 2.376 -6.898 1.00 0.00 H new ATOM 0 HG LEU A 55 3.206 4.905 -7.983 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.713 4.763 -9.970 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.307 4.044 -10.304 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.906 2.994 -9.982 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.733 4.655 -7.703 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.923 2.886 -7.681 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.615 3.871 -6.371 1.00 0.00 H new ATOM 883 N ASN A 56 6.203 2.826 -9.920 1.00 0.00 N ATOM 884 CA ASN A 56 6.685 3.180 -11.286 1.00 0.00 C ATOM 885 C ASN A 56 7.649 4.366 -11.201 1.00 0.00 C ATOM 886 O ASN A 56 8.021 4.948 -12.199 1.00 0.00 O ATOM 887 CB ASN A 56 5.494 3.547 -12.175 1.00 0.00 C ATOM 888 CG ASN A 56 4.394 2.496 -12.013 1.00 0.00 C ATOM 889 OD1 ASN A 56 4.142 2.028 -10.920 1.00 0.00 O ATOM 890 ND2 ASN A 56 3.725 2.102 -13.062 1.00 0.00 N ATOM 0 H ASN A 56 6.388 1.865 -9.631 1.00 0.00 H new ATOM 0 HA ASN A 56 7.204 2.324 -11.717 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.114 4.532 -11.904 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.808 3.603 -13.217 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.990 1.401 -12.965 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.937 2.495 -13.979 1.00 0.00 H new ATOM 897 N ASN A 57 8.059 4.719 -10.012 1.00 0.00 N ATOM 898 CA ASN A 57 9.010 5.858 -9.841 1.00 0.00 C ATOM 899 C ASN A 57 8.358 7.172 -10.292 1.00 0.00 C ATOM 900 O ASN A 57 8.985 7.993 -10.933 1.00 0.00 O ATOM 901 CB ASN A 57 10.280 5.600 -10.667 1.00 0.00 C ATOM 902 CG ASN A 57 11.435 6.443 -10.121 1.00 0.00 C ATOM 903 OD1 ASN A 57 11.963 7.292 -10.811 1.00 0.00 O ATOM 904 ND2 ASN A 57 11.850 6.245 -8.900 1.00 0.00 N ATOM 0 H ASN A 57 7.774 4.264 -9.145 1.00 0.00 H new ATOM 0 HA ASN A 57 9.272 5.941 -8.786 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.540 4.542 -10.629 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.101 5.847 -11.713 1.00 0.00 H new ATOM 0 HD21 ASN A 57 12.617 6.803 -8.525 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.407 5.532 -8.320 1.00 0.00 H new ATOM 911 N ASN A 58 7.109 7.380 -9.951 1.00 0.00 N ATOM 912 CA ASN A 58 6.401 8.643 -10.337 1.00 0.00 C ATOM 913 C ASN A 58 5.876 9.320 -9.058 1.00 0.00 C ATOM 914 O ASN A 58 4.778 9.040 -8.620 1.00 0.00 O ATOM 915 CB ASN A 58 5.224 8.295 -11.254 1.00 0.00 C ATOM 916 CG ASN A 58 5.665 7.245 -12.275 1.00 0.00 C ATOM 917 OD1 ASN A 58 6.841 6.984 -12.426 1.00 0.00 O ATOM 918 ND2 ASN A 58 4.764 6.629 -12.991 1.00 0.00 N ATOM 0 H ASN A 58 6.543 6.721 -9.416 1.00 0.00 H new ATOM 0 HA ASN A 58 7.081 9.316 -10.860 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.390 7.916 -10.664 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.871 9.190 -11.766 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.048 5.929 -13.676 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.776 6.847 -12.865 1.00 0.00 H new ATOM 925 N PRO A 59 6.654 10.191 -8.450 1.00 0.00 N ATOM 926 CA PRO A 59 6.247 10.887 -7.191 1.00 0.00 C ATOM 927 C PRO A 59 4.806 11.411 -7.241 1.00 0.00 C ATOM 928 O PRO A 59 4.253 11.829 -6.243 1.00 0.00 O ATOM 929 CB PRO A 59 7.250 12.040 -7.085 1.00 0.00 C ATOM 930 CG PRO A 59 8.484 11.518 -7.744 1.00 0.00 C ATOM 931 CD PRO A 59 8.002 10.612 -8.883 1.00 0.00 C ATOM 0 HA PRO A 59 6.260 10.216 -6.332 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.881 12.936 -7.585 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.438 12.309 -6.046 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.097 12.334 -8.127 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.099 10.962 -7.036 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.969 11.146 -9.833 1.00 0.00 H new ATOM 0 HD3 PRO A 59 8.663 9.757 -9.021 1.00 0.00 H new ATOM 939 N THR A 60 4.193 11.378 -8.388 1.00 0.00 N ATOM 940 CA THR A 60 2.786 11.860 -8.500 1.00 0.00 C ATOM 941 C THR A 60 1.850 10.771 -7.967 1.00 0.00 C ATOM 942 O THR A 60 0.926 11.035 -7.223 1.00 0.00 O ATOM 943 CB THR A 60 2.459 12.142 -9.973 1.00 0.00 C ATOM 944 OG1 THR A 60 1.075 11.913 -10.200 1.00 0.00 O ATOM 945 CG2 THR A 60 3.286 11.214 -10.872 1.00 0.00 C ATOM 0 H THR A 60 4.605 11.038 -9.257 1.00 0.00 H new ATOM 0 HA THR A 60 2.658 12.775 -7.922 1.00 0.00 H new ATOM 0 HB THR A 60 2.701 13.179 -10.206 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.898 10.949 -10.195 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.052 11.416 -11.917 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.348 11.389 -10.697 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.047 10.176 -10.641 1.00 0.00 H new ATOM 953 N GLN A 61 2.098 9.545 -8.342 1.00 0.00 N ATOM 954 CA GLN A 61 1.253 8.407 -7.871 1.00 0.00 C ATOM 955 C GLN A 61 1.901 7.788 -6.633 1.00 0.00 C ATOM 956 O GLN A 61 2.360 6.663 -6.663 1.00 0.00 O ATOM 957 CB GLN A 61 1.148 7.347 -8.970 1.00 0.00 C ATOM 958 CG GLN A 61 0.812 8.017 -10.304 1.00 0.00 C ATOM 959 CD GLN A 61 -0.443 8.878 -10.145 1.00 0.00 C ATOM 960 OE1 GLN A 61 -0.386 9.957 -9.588 1.00 0.00 O ATOM 961 NE2 GLN A 61 -1.580 8.444 -10.613 1.00 0.00 N ATOM 0 H GLN A 61 2.861 9.279 -8.964 1.00 0.00 H new ATOM 0 HA GLN A 61 0.254 8.771 -7.629 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.088 6.801 -9.053 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.378 6.619 -8.714 1.00 0.00 H new ATOM 0 HG2 GLN A 61 1.648 8.633 -10.634 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.651 7.260 -11.072 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.627 7.539 -11.080 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -2.423 9.010 -10.512 1.00 0.00 H new ATOM 970 N THR A 62 1.972 8.515 -5.549 1.00 0.00 N ATOM 971 CA THR A 62 2.628 7.963 -4.324 1.00 0.00 C ATOM 972 C THR A 62 1.577 7.332 -3.413 1.00 0.00 C ATOM 973 O THR A 62 0.408 7.275 -3.739 1.00 0.00 O ATOM 974 CB THR A 62 3.330 9.097 -3.573 1.00 0.00 C ATOM 975 OG1 THR A 62 2.437 10.193 -3.433 1.00 0.00 O ATOM 976 CG2 THR A 62 4.567 9.540 -4.354 1.00 0.00 C ATOM 0 H THR A 62 1.606 9.463 -5.457 1.00 0.00 H new ATOM 0 HA THR A 62 3.355 7.205 -4.615 1.00 0.00 H new ATOM 0 HB THR A 62 3.634 8.747 -2.586 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.884 10.920 -2.951 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.066 10.348 -3.818 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.251 8.698 -4.460 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.267 9.891 -5.342 1.00 0.00 H new ATOM 984 N LEU A 63 1.996 6.818 -2.283 1.00 0.00 N ATOM 985 CA LEU A 63 1.038 6.142 -1.356 1.00 0.00 C ATOM 986 C LEU A 63 1.406 6.470 0.098 1.00 0.00 C ATOM 987 O LEU A 63 2.546 6.760 0.406 1.00 0.00 O ATOM 988 CB LEU A 63 1.144 4.624 -1.607 1.00 0.00 C ATOM 989 CG LEU A 63 -0.203 3.921 -1.370 1.00 0.00 C ATOM 990 CD1 LEU A 63 -1.252 4.383 -2.410 1.00 0.00 C ATOM 991 CD2 LEU A 63 0.012 2.403 -1.485 1.00 0.00 C ATOM 0 H LEU A 63 2.964 6.838 -1.962 1.00 0.00 H new ATOM 0 HA LEU A 63 0.018 6.484 -1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.475 4.445 -2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.900 4.197 -0.948 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.575 4.176 -0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.197 3.873 -2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.398 5.460 -2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.901 4.141 -3.413 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.934 1.888 -1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.387 2.163 -2.480 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.736 2.080 -0.737 1.00 0.00 H new ATOM 1003 N LYS A 64 0.444 6.422 0.993 1.00 0.00 N ATOM 1004 CA LYS A 64 0.717 6.725 2.436 1.00 0.00 C ATOM 1005 C LYS A 64 0.330 5.517 3.290 1.00 0.00 C ATOM 1006 O LYS A 64 -0.719 4.931 3.113 1.00 0.00 O ATOM 1007 CB LYS A 64 -0.115 7.934 2.866 1.00 0.00 C ATOM 1008 CG LYS A 64 0.361 9.177 2.111 1.00 0.00 C ATOM 1009 CD LYS A 64 -0.210 10.428 2.780 1.00 0.00 C ATOM 1010 CE LYS A 64 -0.021 11.634 1.858 1.00 0.00 C ATOM 1011 NZ LYS A 64 1.433 11.920 1.705 1.00 0.00 N ATOM 0 H LYS A 64 -0.525 6.184 0.783 1.00 0.00 H new ATOM 0 HA LYS A 64 1.777 6.943 2.569 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.170 7.754 2.662 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.020 8.090 3.941 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.450 9.218 2.107 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.040 9.129 1.070 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.269 10.286 2.997 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.290 10.604 3.733 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.467 11.434 0.884 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.532 12.504 2.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.558 12.824 1.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.876 11.978 2.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.881 11.158 1.157 1.00 0.00 H new ATOM 1025 N ILE A 65 1.171 5.137 4.219 1.00 0.00 N ATOM 1026 CA ILE A 65 0.853 3.964 5.089 1.00 0.00 C ATOM 1027 C ILE A 65 0.215 4.449 6.392 1.00 0.00 C ATOM 1028 O ILE A 65 0.669 5.395 7.004 1.00 0.00 O ATOM 1029 CB ILE A 65 2.140 3.196 5.415 1.00 0.00 C ATOM 1030 CG1 ILE A 65 3.248 4.185 5.793 1.00 0.00 C ATOM 1031 CG2 ILE A 65 2.579 2.385 4.196 1.00 0.00 C ATOM 1032 CD1 ILE A 65 4.485 3.415 6.266 1.00 0.00 C ATOM 0 H ILE A 65 2.065 5.589 4.412 1.00 0.00 H new ATOM 0 HA ILE A 65 0.160 3.308 4.563 1.00 0.00 H new ATOM 0 HB ILE A 65 1.953 2.522 6.251 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.501 4.808 4.935 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.900 4.853 6.581 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.494 1.841 4.431 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.794 1.677 3.928 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.762 3.058 3.358 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.272 4.120 6.534 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.227 2.811 7.136 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.838 2.765 5.465 1.00 0.00 H new ATOM 1044 N ARG A 66 -0.832 3.796 6.827 1.00 0.00 N ATOM 1045 CA ARG A 66 -1.503 4.197 8.100 1.00 0.00 C ATOM 1046 C ARG A 66 -1.039 3.258 9.214 1.00 0.00 C ATOM 1047 O ARG A 66 -0.945 3.638 10.364 1.00 0.00 O ATOM 1048 CB ARG A 66 -3.019 4.085 7.933 1.00 0.00 C ATOM 1049 CG ARG A 66 -3.703 4.357 9.275 1.00 0.00 C ATOM 1050 CD ARG A 66 -5.205 4.543 9.054 1.00 0.00 C ATOM 1051 NE ARG A 66 -5.847 4.961 10.332 1.00 0.00 N ATOM 1052 CZ ARG A 66 -7.146 4.922 10.454 1.00 0.00 C ATOM 1053 NH1 ARG A 66 -7.883 4.517 9.454 1.00 0.00 N ATOM 1054 NH2 ARG A 66 -7.708 5.288 11.572 1.00 0.00 N ATOM 0 H ARG A 66 -1.253 2.998 6.352 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.246 5.226 8.351 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.367 4.797 7.185 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.283 3.091 7.573 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.525 3.528 9.960 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.279 5.249 9.737 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.380 5.294 8.284 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.649 3.613 8.699 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.271 5.278 11.112 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.443 4.232 8.579 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.898 4.486 9.548 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.133 5.605 12.352 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.723 5.257 11.666 1.00 0.00 H new ATOM 1068 N ASN A 67 -0.742 2.031 8.873 1.00 0.00 N ATOM 1069 CA ASN A 67 -0.278 1.055 9.899 1.00 0.00 C ATOM 1070 C ASN A 67 0.126 -0.252 9.210 1.00 0.00 C ATOM 1071 O ASN A 67 -0.713 -1.000 8.745 1.00 0.00 O ATOM 1072 CB ASN A 67 -1.410 0.775 10.892 1.00 0.00 C ATOM 1073 CG ASN A 67 -0.979 -0.326 11.863 1.00 0.00 C ATOM 1074 OD1 ASN A 67 0.069 -0.240 12.472 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -1.748 -1.367 12.033 1.00 0.00 N ATOM 0 H ASN A 67 -0.802 1.663 7.924 1.00 0.00 H new ATOM 0 HA ASN A 67 0.578 1.470 10.432 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.658 1.683 11.442 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.310 0.471 10.357 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -1.469 -2.107 12.677 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.628 -1.440 11.522 1.00 0.00 H new ATOM 1082 N ALA A 68 1.403 -0.531 9.136 1.00 0.00 N ATOM 1083 CA ALA A 68 1.861 -1.792 8.477 1.00 0.00 C ATOM 1084 C ALA A 68 1.846 -2.940 9.486 1.00 0.00 C ATOM 1085 O ALA A 68 1.937 -2.734 10.680 1.00 0.00 O ATOM 1086 CB ALA A 68 3.283 -1.612 7.945 1.00 0.00 C ATOM 0 H ALA A 68 2.148 0.060 9.504 1.00 0.00 H new ATOM 0 HA ALA A 68 1.188 -2.023 7.651 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.612 -2.534 7.466 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.300 -0.800 7.218 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.953 -1.374 8.771 1.00 0.00 H new ATOM 1092 N THR A 69 1.738 -4.154 9.010 1.00 0.00 N ATOM 1093 CA THR A 69 1.723 -5.331 9.929 1.00 0.00 C ATOM 1094 C THR A 69 2.451 -6.496 9.256 1.00 0.00 C ATOM 1095 O THR A 69 2.380 -6.674 8.058 1.00 0.00 O ATOM 1096 CB THR A 69 0.276 -5.735 10.220 1.00 0.00 C ATOM 1097 OG1 THR A 69 -0.405 -4.643 10.823 1.00 0.00 O ATOM 1098 CG2 THR A 69 0.260 -6.936 11.167 1.00 0.00 C ATOM 0 H THR A 69 1.659 -4.381 8.019 1.00 0.00 H new ATOM 0 HA THR A 69 2.220 -5.074 10.865 1.00 0.00 H new ATOM 0 HB THR A 69 -0.222 -6.005 9.289 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.589 -4.851 11.763 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.771 -7.223 11.374 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.783 -7.772 10.703 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.756 -6.670 12.100 1.00 0.00 H new ATOM 1106 N HIS A 70 3.159 -7.285 10.016 1.00 0.00 N ATOM 1107 CA HIS A 70 3.900 -8.432 9.416 1.00 0.00 C ATOM 1108 C HIS A 70 2.915 -9.521 8.983 1.00 0.00 C ATOM 1109 O HIS A 70 3.046 -10.670 9.357 1.00 0.00 O ATOM 1110 CB HIS A 70 4.870 -9.007 10.450 1.00 0.00 C ATOM 1111 CG HIS A 70 5.788 -7.920 10.937 1.00 0.00 C ATOM 1112 ND1 HIS A 70 5.589 -6.584 10.614 1.00 0.00 N ATOM 1113 CD2 HIS A 70 6.912 -7.953 11.725 1.00 0.00 C ATOM 1114 CE1 HIS A 70 6.573 -5.875 11.200 1.00 0.00 C ATOM 1115 NE2 HIS A 70 7.403 -6.662 11.886 1.00 0.00 N ATOM 0 H HIS A 70 3.257 -7.186 11.026 1.00 0.00 H new ATOM 0 HA HIS A 70 4.455 -8.083 8.545 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.316 -9.432 11.287 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.451 -9.817 10.008 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.347 -8.844 12.153 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.677 -4.803 11.124 1.00 0.00 H new ATOM 0 HE2 HIS A 70 8.226 -6.377 12.417 1.00 0.00 H new ATOM 1124 N TYR A 71 1.932 -9.176 8.196 1.00 0.00 N ATOM 1125 CA TYR A 71 0.950 -10.199 7.743 1.00 0.00 C ATOM 1126 C TYR A 71 0.436 -10.978 8.958 1.00 0.00 C ATOM 1127 O TYR A 71 0.520 -12.187 9.016 1.00 0.00 O ATOM 1128 CB TYR A 71 1.634 -11.158 6.762 1.00 0.00 C ATOM 1129 CG TYR A 71 0.681 -12.268 6.379 1.00 0.00 C ATOM 1130 CD1 TYR A 71 -0.420 -11.991 5.561 1.00 0.00 C ATOM 1131 CD2 TYR A 71 0.900 -13.575 6.837 1.00 0.00 C ATOM 1132 CE1 TYR A 71 -1.303 -13.017 5.201 1.00 0.00 C ATOM 1133 CE2 TYR A 71 0.016 -14.601 6.477 1.00 0.00 C ATOM 1134 CZ TYR A 71 -1.085 -14.321 5.660 1.00 0.00 C ATOM 1135 OH TYR A 71 -1.954 -15.331 5.305 1.00 0.00 O ATOM 0 H TYR A 71 1.768 -8.231 7.848 1.00 0.00 H new ATOM 0 HA TYR A 71 0.111 -9.713 7.245 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.951 -10.616 5.871 1.00 0.00 H new ATOM 0 HB3 TYR A 71 2.531 -11.578 7.216 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.589 -10.985 5.207 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.750 -13.791 7.467 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.152 -12.802 4.569 1.00 0.00 H new ATOM 0 HE2 TYR A 71 0.184 -15.608 6.830 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.657 -16.174 5.707 1.00 0.00 H new ATOM 1145 N SER A 72 -0.094 -10.288 9.930 1.00 0.00 N ATOM 1146 CA SER A 72 -0.611 -10.984 11.142 1.00 0.00 C ATOM 1147 C SER A 72 -1.985 -11.582 10.838 1.00 0.00 C ATOM 1148 O SER A 72 -2.651 -11.191 9.900 1.00 0.00 O ATOM 1149 CB SER A 72 -0.734 -9.985 12.291 1.00 0.00 C ATOM 1150 OG SER A 72 -1.049 -10.682 13.489 1.00 0.00 O ATOM 0 H SER A 72 -0.191 -9.273 9.937 1.00 0.00 H new ATOM 0 HA SER A 72 0.078 -11.780 11.425 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.200 -9.435 12.411 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.509 -9.252 12.069 1.00 0.00 H new ATOM 0 HG SER A 72 -1.127 -10.043 14.228 1.00 0.00 H new ATOM 1156 N SER A 73 -2.417 -12.529 11.626 1.00 0.00 N ATOM 1157 CA SER A 73 -3.748 -13.151 11.384 1.00 0.00 C ATOM 1158 C SER A 73 -4.851 -12.141 11.712 1.00 0.00 C ATOM 1159 O SER A 73 -5.998 -12.327 11.363 1.00 0.00 O ATOM 1160 CB SER A 73 -3.904 -14.383 12.274 1.00 0.00 C ATOM 1161 OG SER A 73 -2.867 -15.310 11.979 1.00 0.00 O ATOM 0 H SER A 73 -1.905 -12.898 12.427 1.00 0.00 H new ATOM 0 HA SER A 73 -3.826 -13.447 10.338 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.862 -14.095 13.324 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.878 -14.844 12.109 1.00 0.00 H new ATOM 0 HG SER A 73 -2.963 -16.101 12.550 1.00 0.00 H new ATOM 1167 N GLU A 74 -4.510 -11.074 12.382 1.00 0.00 N ATOM 1168 CA GLU A 74 -5.540 -10.055 12.733 1.00 0.00 C ATOM 1169 C GLU A 74 -5.841 -9.186 11.510 1.00 0.00 C ATOM 1170 O GLU A 74 -6.985 -8.924 11.190 1.00 0.00 O ATOM 1171 CB GLU A 74 -5.017 -9.173 13.869 1.00 0.00 C ATOM 1172 CG GLU A 74 -6.149 -8.288 14.392 1.00 0.00 C ATOM 1173 CD GLU A 74 -5.673 -7.529 15.632 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -5.808 -8.064 16.719 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -5.180 -6.424 15.472 1.00 0.00 O ATOM 0 H GLU A 74 -3.564 -10.864 12.701 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.453 -10.558 13.052 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.625 -9.794 14.675 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -4.193 -8.555 13.513 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.461 -7.585 13.620 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.018 -8.898 14.638 1.00 0.00 H new ATOM 1182 N ARG A 75 -4.827 -8.733 10.825 1.00 0.00 N ATOM 1183 CA ARG A 75 -5.057 -7.879 9.626 1.00 0.00 C ATOM 1184 C ARG A 75 -5.459 -8.755 8.438 1.00 0.00 C ATOM 1185 O ARG A 75 -6.180 -8.331 7.558 1.00 0.00 O ATOM 1186 CB ARG A 75 -3.771 -7.120 9.288 1.00 0.00 C ATOM 1187 CG ARG A 75 -3.251 -6.406 10.539 1.00 0.00 C ATOM 1188 CD ARG A 75 -4.285 -5.384 11.028 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.607 -4.364 11.877 1.00 0.00 N ATOM 1190 CZ ARG A 75 -4.315 -3.571 12.635 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -5.616 -3.672 12.649 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -3.721 -2.678 13.379 1.00 0.00 N ATOM 0 H ARG A 75 -3.848 -8.918 11.044 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.856 -7.169 9.836 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.017 -7.811 8.912 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.962 -6.395 8.496 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.047 -7.134 11.325 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.309 -5.905 10.316 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.768 -4.903 10.177 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.068 -5.885 11.597 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.590 -4.285 11.866 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.080 -4.370 12.068 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.169 -3.053 13.241 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.704 -2.600 13.368 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.274 -2.058 13.971 1.00 0.00 H new ATOM 1206 N TRP A 76 -4.998 -9.975 8.406 1.00 0.00 N ATOM 1207 CA TRP A 76 -5.354 -10.876 7.274 1.00 0.00 C ATOM 1208 C TRP A 76 -6.806 -11.339 7.428 1.00 0.00 C ATOM 1209 O TRP A 76 -7.581 -11.301 6.492 1.00 0.00 O ATOM 1210 CB TRP A 76 -4.414 -12.088 7.278 1.00 0.00 C ATOM 1211 CG TRP A 76 -4.884 -13.105 6.284 1.00 0.00 C ATOM 1212 CD1 TRP A 76 -5.306 -14.352 6.593 1.00 0.00 C ATOM 1213 CD2 TRP A 76 -4.987 -12.986 4.835 1.00 0.00 C ATOM 1214 NE1 TRP A 76 -5.661 -15.007 5.427 1.00 0.00 N ATOM 1215 CE2 TRP A 76 -5.481 -14.206 4.317 1.00 0.00 C ATOM 1216 CE3 TRP A 76 -4.700 -11.949 3.927 1.00 0.00 C ATOM 1217 CZ2 TRP A 76 -5.687 -14.392 2.948 1.00 0.00 C ATOM 1218 CZ3 TRP A 76 -4.906 -12.133 2.550 1.00 0.00 C ATOM 1219 CH2 TRP A 76 -5.398 -13.351 2.062 1.00 0.00 C ATOM 0 H TRP A 76 -4.391 -10.387 9.114 1.00 0.00 H new ATOM 0 HA TRP A 76 -5.249 -10.342 6.330 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -3.399 -11.772 7.035 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -4.381 -12.529 8.274 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -5.358 -14.769 7.588 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -6.012 -15.964 5.392 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.319 -11.006 4.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -6.067 -15.333 2.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -4.684 -11.330 1.862 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -5.554 -13.485 1.002 1.00 0.00 H new