USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1005 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 43:sc= 0.152 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -163:sc= 0.00097 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -121:sc= -2.63 (180deg=-6.92!) USER MOD Single : A 21 GLN : amide:sc= -6.11! C(o=-6.1!,f=-5.8!) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -161:sc= 0.975 (180deg=0.697) USER MOD Single : A 27 GLN : amide:sc= -0.0315 K(o=-0.031,f=-1.2) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.0562 K(o=-0.056,f=-0.8) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -6.46! C(o=-6.5!,f=-15!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 168:sc= 0.00289 USER MOD Single : A 64 HIS : no HE2:sc= -6.81! C(o=-6.8!,f=-13!) USER MOD Single : A 68 CYS SG : rot -75:sc= -1.04! USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 49:sc= -0.0727 USER MOD Single : A 76 ASN : amide:sc= -0.0163 X(o=-0.016,f=-0.069) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.299 K(o=-0.3,f=-4.6!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.0273 X(o=-0.027,f=0) USER MOD Single : A 92 THR OG1 : rot 149:sc= -1.12 USER MOD Single : A 97 HIS : no HD1:sc= -4.57! C(o=-4.6!,f=-5.8!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.665 K(o=-0.67,f=-1.5) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.118 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -1.76 X(o=-1.8,f=-1.5!) USER MOD Single : A 117 MET CE :methyl 169:sc= -2.03! (180deg=-3!) USER MOD Single : A 119 SER OG : rot -32:sc= -1.13 USER MOD Single : A 121 THR OG1 : rot 180:sc= -0.017 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 21:sc= 1.36 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.789 15.678 15.235 1.00 0.00 N ATOM 2 CA GLY A 1 17.265 14.334 15.057 1.00 0.00 C ATOM 3 C GLY A 1 16.264 14.284 13.901 1.00 0.00 C ATOM 4 O GLY A 1 16.609 13.875 12.794 1.00 0.00 O ATOM 0 H1 GLY A 1 18.465 15.685 16.025 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.270 15.981 14.364 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.007 16.331 15.443 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.085 13.643 14.863 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.781 14.004 15.976 1.00 0.00 H new ATOM 8 N SER A 2 15.044 14.706 14.199 1.00 0.00 N ATOM 9 CA SER A 2 13.990 14.714 13.199 1.00 0.00 C ATOM 10 C SER A 2 13.873 13.334 12.550 1.00 0.00 C ATOM 11 O SER A 2 14.603 13.022 11.610 1.00 0.00 O ATOM 12 CB SER A 2 14.250 15.781 12.134 1.00 0.00 C ATOM 13 OG SER A 2 13.751 17.058 12.523 1.00 0.00 O ATOM 0 H SER A 2 14.762 15.045 15.119 1.00 0.00 H new ATOM 0 HA SER A 2 13.050 14.955 13.695 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.321 15.852 11.947 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.782 15.479 11.197 1.00 0.00 H new ATOM 0 HG SER A 2 13.938 17.711 11.817 1.00 0.00 H new ATOM 19 N SER A 3 12.950 12.543 13.077 1.00 0.00 N ATOM 20 CA SER A 3 12.728 11.203 12.561 1.00 0.00 C ATOM 21 C SER A 3 14.030 10.402 12.611 1.00 0.00 C ATOM 22 O SER A 3 14.801 10.403 11.652 1.00 0.00 O ATOM 23 CB SER A 3 12.185 11.247 11.132 1.00 0.00 C ATOM 24 OG SER A 3 10.911 11.881 11.063 1.00 0.00 O ATOM 0 H SER A 3 12.347 12.805 13.857 1.00 0.00 H new ATOM 0 HA SER A 3 11.983 10.713 13.188 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.890 11.779 10.493 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.106 10.232 10.743 1.00 0.00 H new ATOM 0 HG SER A 3 10.600 11.890 10.134 1.00 0.00 H new ATOM 30 N GLY A 4 14.235 9.736 13.737 1.00 0.00 N ATOM 31 CA GLY A 4 15.431 8.931 13.924 1.00 0.00 C ATOM 32 C GLY A 4 16.639 9.812 14.250 1.00 0.00 C ATOM 33 O GLY A 4 16.826 10.865 13.642 1.00 0.00 O ATOM 0 H GLY A 4 13.593 9.737 14.530 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.270 8.216 14.730 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.630 8.354 13.021 1.00 0.00 H new ATOM 37 N SER A 5 17.428 9.348 15.208 1.00 0.00 N ATOM 38 CA SER A 5 18.612 10.080 15.622 1.00 0.00 C ATOM 39 C SER A 5 19.716 9.103 16.029 1.00 0.00 C ATOM 40 O SER A 5 19.612 8.438 17.059 1.00 0.00 O ATOM 41 CB SER A 5 18.296 11.034 16.775 1.00 0.00 C ATOM 42 OG SER A 5 17.559 10.392 17.812 1.00 0.00 O ATOM 0 H SER A 5 17.270 8.474 15.709 1.00 0.00 H new ATOM 0 HA SER A 5 18.957 10.677 14.777 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.226 11.430 17.183 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.726 11.883 16.397 1.00 0.00 H new ATOM 0 HG SER A 5 17.934 9.502 17.977 1.00 0.00 H new ATOM 48 N SER A 6 20.748 9.046 15.201 1.00 0.00 N ATOM 49 CA SER A 6 21.870 8.160 15.462 1.00 0.00 C ATOM 50 C SER A 6 21.400 6.704 15.455 1.00 0.00 C ATOM 51 O SER A 6 20.557 6.317 16.262 1.00 0.00 O ATOM 52 CB SER A 6 22.538 8.496 16.797 1.00 0.00 C ATOM 53 OG SER A 6 23.437 9.596 16.683 1.00 0.00 O ATOM 0 H SER A 6 20.831 9.599 14.348 1.00 0.00 H new ATOM 0 HA SER A 6 22.608 8.300 14.672 1.00 0.00 H new ATOM 0 HB2 SER A 6 21.772 8.729 17.537 1.00 0.00 H new ATOM 0 HB3 SER A 6 23.078 7.623 17.162 1.00 0.00 H new ATOM 0 HG SER A 6 23.841 9.780 17.557 1.00 0.00 H new ATOM 59 N GLY A 7 21.967 5.937 14.535 1.00 0.00 N ATOM 60 CA GLY A 7 21.616 4.532 14.413 1.00 0.00 C ATOM 61 C GLY A 7 21.875 4.025 12.993 1.00 0.00 C ATOM 62 O GLY A 7 22.972 3.563 12.685 1.00 0.00 O ATOM 0 H GLY A 7 22.667 6.262 13.867 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.197 3.945 15.124 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.565 4.392 14.667 1.00 0.00 H new ATOM 66 N VAL A 8 20.845 4.127 12.166 1.00 0.00 N ATOM 67 CA VAL A 8 20.947 3.684 10.786 1.00 0.00 C ATOM 68 C VAL A 8 20.334 4.744 9.868 1.00 0.00 C ATOM 69 O VAL A 8 19.453 5.495 10.283 1.00 0.00 O ATOM 70 CB VAL A 8 20.296 2.308 10.628 1.00 0.00 C ATOM 71 CG1 VAL A 8 20.184 1.920 9.153 1.00 0.00 C ATOM 72 CG2 VAL A 8 21.063 1.246 11.418 1.00 0.00 C ATOM 0 H VAL A 8 19.936 4.510 12.425 1.00 0.00 H new ATOM 0 HA VAL A 8 21.992 3.569 10.498 1.00 0.00 H new ATOM 0 HB VAL A 8 19.287 2.366 11.036 1.00 0.00 H new ATOM 0 HG11 VAL A 8 19.718 0.938 9.069 1.00 0.00 H new ATOM 0 HG12 VAL A 8 19.575 2.656 8.628 1.00 0.00 H new ATOM 0 HG13 VAL A 8 21.179 1.889 8.709 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.580 0.277 11.289 1.00 0.00 H new ATOM 0 HG22 VAL A 8 22.089 1.192 11.053 1.00 0.00 H new ATOM 0 HG23 VAL A 8 21.067 1.511 12.475 1.00 0.00 H new ATOM 82 N ILE A 9 20.824 4.770 8.637 1.00 0.00 N ATOM 83 CA ILE A 9 20.335 5.725 7.657 1.00 0.00 C ATOM 84 C ILE A 9 18.805 5.747 7.691 1.00 0.00 C ATOM 85 O ILE A 9 18.175 4.764 8.078 1.00 0.00 O ATOM 86 CB ILE A 9 20.914 5.418 6.274 1.00 0.00 C ATOM 87 CG1 ILE A 9 22.303 6.039 6.112 1.00 0.00 C ATOM 88 CG2 ILE A 9 19.955 5.860 5.167 1.00 0.00 C ATOM 89 CD1 ILE A 9 22.255 7.553 6.325 1.00 0.00 C ATOM 0 H ILE A 9 21.554 4.145 8.296 1.00 0.00 H new ATOM 0 HA ILE A 9 20.675 6.731 7.904 1.00 0.00 H new ATOM 0 HB ILE A 9 21.031 4.338 6.184 1.00 0.00 H new ATOM 0 HG12 ILE A 9 22.992 5.589 6.827 1.00 0.00 H new ATOM 0 HG13 ILE A 9 22.689 5.820 5.116 1.00 0.00 H new ATOM 0 HG21 ILE A 9 20.391 5.630 4.195 1.00 0.00 H new ATOM 0 HG22 ILE A 9 19.008 5.332 5.274 1.00 0.00 H new ATOM 0 HG23 ILE A 9 19.782 6.934 5.243 1.00 0.00 H new ATOM 0 HD11 ILE A 9 23.255 7.969 6.204 1.00 0.00 H new ATOM 0 HD12 ILE A 9 21.584 8.002 5.593 1.00 0.00 H new ATOM 0 HD13 ILE A 9 21.892 7.768 7.330 1.00 0.00 H new ATOM 101 N LEU A 10 18.252 6.879 7.282 1.00 0.00 N ATOM 102 CA LEU A 10 16.809 7.042 7.261 1.00 0.00 C ATOM 103 C LEU A 10 16.350 7.307 5.826 1.00 0.00 C ATOM 104 O LEU A 10 16.576 8.390 5.288 1.00 0.00 O ATOM 105 CB LEU A 10 16.377 8.123 8.254 1.00 0.00 C ATOM 106 CG LEU A 10 14.879 8.196 8.557 1.00 0.00 C ATOM 107 CD1 LEU A 10 14.076 8.478 7.286 1.00 0.00 C ATOM 108 CD2 LEU A 10 14.401 6.929 9.268 1.00 0.00 C ATOM 0 H LEU A 10 18.778 7.693 6.962 1.00 0.00 H new ATOM 0 HA LEU A 10 16.318 6.126 7.589 1.00 0.00 H new ATOM 0 HB2 LEU A 10 16.909 7.961 9.191 1.00 0.00 H new ATOM 0 HB3 LEU A 10 16.697 9.091 7.869 1.00 0.00 H new ATOM 0 HG LEU A 10 14.708 9.030 9.237 1.00 0.00 H new ATOM 0 HD11 LEU A 10 13.015 8.525 7.529 1.00 0.00 H new ATOM 0 HD12 LEU A 10 14.393 9.430 6.859 1.00 0.00 H new ATOM 0 HD13 LEU A 10 14.248 7.681 6.563 1.00 0.00 H new ATOM 0 HD21 LEU A 10 13.333 7.007 9.472 1.00 0.00 H new ATOM 0 HD22 LEU A 10 14.587 6.063 8.633 1.00 0.00 H new ATOM 0 HD23 LEU A 10 14.942 6.813 10.207 1.00 0.00 H new ATOM 120 N LYS A 11 15.715 6.299 5.246 1.00 0.00 N ATOM 121 CA LYS A 11 15.222 6.410 3.883 1.00 0.00 C ATOM 122 C LYS A 11 14.319 7.639 3.770 1.00 0.00 C ATOM 123 O LYS A 11 14.249 8.450 4.692 1.00 0.00 O ATOM 124 CB LYS A 11 14.546 5.107 3.450 1.00 0.00 C ATOM 125 CG LYS A 11 15.557 4.148 2.819 1.00 0.00 C ATOM 126 CD LYS A 11 14.848 3.045 2.030 1.00 0.00 C ATOM 127 CE LYS A 11 14.632 3.464 0.575 1.00 0.00 C ATOM 128 NZ LYS A 11 14.715 2.289 -0.321 1.00 0.00 N ATOM 0 H LYS A 11 15.530 5.402 5.695 1.00 0.00 H new ATOM 0 HA LYS A 11 16.050 6.558 3.189 1.00 0.00 H new ATOM 0 HB2 LYS A 11 14.078 4.632 4.312 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.752 5.325 2.736 1.00 0.00 H new ATOM 0 HG2 LYS A 11 16.225 4.701 2.158 1.00 0.00 H new ATOM 0 HG3 LYS A 11 16.176 3.703 3.598 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.440 2.130 2.065 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.888 2.821 2.494 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.658 3.942 0.469 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.382 4.201 0.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 14.855 2.609 -1.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.515 1.690 -0.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.833 1.742 -0.259 1.00 0.00 H new ATOM 142 N GLU A 12 13.648 7.738 2.632 1.00 0.00 N ATOM 143 CA GLU A 12 12.752 8.855 2.386 1.00 0.00 C ATOM 144 C GLU A 12 11.296 8.385 2.421 1.00 0.00 C ATOM 145 O GLU A 12 10.428 9.080 2.947 1.00 0.00 O ATOM 146 CB GLU A 12 13.076 9.536 1.055 1.00 0.00 C ATOM 147 CG GLU A 12 14.568 9.857 0.952 1.00 0.00 C ATOM 148 CD GLU A 12 14.826 11.348 1.182 1.00 0.00 C ATOM 149 OE1 GLU A 12 14.406 12.137 0.309 1.00 0.00 O ATOM 150 OE2 GLU A 12 15.437 11.663 2.226 1.00 0.00 O ATOM 0 H GLU A 12 13.707 7.063 1.870 1.00 0.00 H new ATOM 0 HA GLU A 12 12.895 9.591 3.177 1.00 0.00 H new ATOM 0 HB2 GLU A 12 12.782 8.887 0.230 1.00 0.00 H new ATOM 0 HB3 GLU A 12 12.496 10.454 0.961 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.121 9.271 1.686 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.939 9.568 -0.031 1.00 0.00 H new ATOM 157 N GLU A 13 11.074 7.207 1.855 1.00 0.00 N ATOM 158 CA GLU A 13 9.739 6.636 1.815 1.00 0.00 C ATOM 159 C GLU A 13 9.273 6.277 3.228 1.00 0.00 C ATOM 160 O GLU A 13 8.099 5.976 3.440 1.00 0.00 O ATOM 161 CB GLU A 13 9.692 5.415 0.895 1.00 0.00 C ATOM 162 CG GLU A 13 10.542 4.273 1.457 1.00 0.00 C ATOM 163 CD GLU A 13 10.657 3.128 0.448 1.00 0.00 C ATOM 164 OE1 GLU A 13 9.723 2.998 -0.372 1.00 0.00 O ATOM 165 OE2 GLU A 13 11.677 2.408 0.521 1.00 0.00 O ATOM 0 H GLU A 13 11.797 6.633 1.421 1.00 0.00 H new ATOM 0 HA GLU A 13 9.058 7.383 1.407 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.661 5.082 0.778 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.053 5.688 -0.097 1.00 0.00 H new ATOM 0 HG2 GLU A 13 11.536 4.644 1.707 1.00 0.00 H new ATOM 0 HG3 GLU A 13 10.097 3.905 2.382 1.00 0.00 H new ATOM 172 N PHE A 14 10.216 6.320 4.157 1.00 0.00 N ATOM 173 CA PHE A 14 9.917 6.003 5.543 1.00 0.00 C ATOM 174 C PHE A 14 9.791 7.277 6.382 1.00 0.00 C ATOM 175 O PHE A 14 9.161 7.269 7.438 1.00 0.00 O ATOM 176 CB PHE A 14 11.085 5.171 6.074 1.00 0.00 C ATOM 177 CG PHE A 14 11.047 3.702 5.648 1.00 0.00 C ATOM 178 CD1 PHE A 14 11.526 3.334 4.429 1.00 0.00 C ATOM 179 CD2 PHE A 14 10.534 2.763 6.488 1.00 0.00 C ATOM 180 CE1 PHE A 14 11.490 1.971 4.034 1.00 0.00 C ATOM 181 CE2 PHE A 14 10.498 1.400 6.093 1.00 0.00 C ATOM 182 CZ PHE A 14 10.977 1.032 4.874 1.00 0.00 C ATOM 0 H PHE A 14 11.188 6.570 3.977 1.00 0.00 H new ATOM 0 HA PHE A 14 8.972 5.464 5.605 1.00 0.00 H new ATOM 0 HB2 PHE A 14 12.019 5.614 5.730 1.00 0.00 H new ATOM 0 HB3 PHE A 14 11.089 5.223 7.163 1.00 0.00 H new ATOM 0 HD1 PHE A 14 11.934 4.079 3.762 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.154 3.055 7.456 1.00 0.00 H new ATOM 0 HE1 PHE A 14 11.870 1.679 3.066 1.00 0.00 H new ATOM 0 HE2 PHE A 14 10.090 0.655 6.760 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.950 -0.005 4.573 1.00 0.00 H new ATOM 192 N ARG A 15 10.400 8.341 5.879 1.00 0.00 N ATOM 193 CA ARG A 15 10.364 9.619 6.569 1.00 0.00 C ATOM 194 C ARG A 15 8.979 9.857 7.174 1.00 0.00 C ATOM 195 O ARG A 15 8.854 10.503 8.213 1.00 0.00 O ATOM 196 CB ARG A 15 10.702 10.768 5.618 1.00 0.00 C ATOM 197 CG ARG A 15 12.188 10.758 5.252 1.00 0.00 C ATOM 198 CD ARG A 15 13.017 11.499 6.303 1.00 0.00 C ATOM 199 NE ARG A 15 12.713 12.947 6.260 1.00 0.00 N ATOM 200 CZ ARG A 15 13.283 13.859 7.058 1.00 0.00 C ATOM 201 NH1 ARG A 15 14.191 13.478 7.968 1.00 0.00 N ATOM 202 NH2 ARG A 15 12.946 15.151 6.948 1.00 0.00 N ATOM 0 H ARG A 15 10.921 8.344 5.002 1.00 0.00 H new ATOM 0 HA ARG A 15 11.110 9.588 7.363 1.00 0.00 H new ATOM 0 HB2 ARG A 15 10.100 10.685 4.713 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.445 11.719 6.085 1.00 0.00 H new ATOM 0 HG2 ARG A 15 12.538 9.729 5.167 1.00 0.00 H new ATOM 0 HG3 ARG A 15 12.329 11.225 4.277 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.800 11.103 7.295 1.00 0.00 H new ATOM 0 HD3 ARG A 15 14.079 11.337 6.121 1.00 0.00 H new ATOM 0 HE ARG A 15 12.026 13.271 5.579 1.00 0.00 H new ATOM 0 HH11 ARG A 15 14.447 12.494 8.052 1.00 0.00 H new ATOM 0 HH12 ARG A 15 14.626 14.172 8.576 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.255 15.441 6.256 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.381 15.845 7.556 1.00 0.00 H new ATOM 216 N GLY A 16 7.973 9.322 6.497 1.00 0.00 N ATOM 217 CA GLY A 16 6.602 9.468 6.955 1.00 0.00 C ATOM 218 C GLY A 16 6.312 8.528 8.126 1.00 0.00 C ATOM 219 O GLY A 16 7.232 7.976 8.727 1.00 0.00 O ATOM 0 H GLY A 16 8.080 8.787 5.635 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.425 10.499 7.260 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.916 9.255 6.135 1.00 0.00 H new ATOM 223 N VAL A 17 5.028 8.374 8.416 1.00 0.00 N ATOM 224 CA VAL A 17 4.605 7.510 9.504 1.00 0.00 C ATOM 225 C VAL A 17 3.610 6.477 8.972 1.00 0.00 C ATOM 226 O VAL A 17 3.225 6.523 7.805 1.00 0.00 O ATOM 227 CB VAL A 17 4.037 8.351 10.650 1.00 0.00 C ATOM 228 CG1 VAL A 17 2.660 8.912 10.289 1.00 0.00 C ATOM 229 CG2 VAL A 17 3.978 7.542 11.947 1.00 0.00 C ATOM 0 H VAL A 17 4.267 8.833 7.916 1.00 0.00 H new ATOM 0 HA VAL A 17 5.456 6.963 9.910 1.00 0.00 H new ATOM 0 HB VAL A 17 4.709 9.194 10.812 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.279 9.505 11.120 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.744 9.541 9.403 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.974 8.090 10.086 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.571 8.163 12.745 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.339 6.671 11.804 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.982 7.215 12.218 1.00 0.00 H new ATOM 239 N ILE A 18 3.221 5.568 9.855 1.00 0.00 N ATOM 240 CA ILE A 18 2.278 4.525 9.488 1.00 0.00 C ATOM 241 C ILE A 18 0.884 4.902 9.994 1.00 0.00 C ATOM 242 O ILE A 18 0.751 5.706 10.915 1.00 0.00 O ATOM 243 CB ILE A 18 2.765 3.163 9.988 1.00 0.00 C ATOM 244 CG1 ILE A 18 3.997 2.701 9.207 1.00 0.00 C ATOM 245 CG2 ILE A 18 1.638 2.128 9.945 1.00 0.00 C ATOM 246 CD1 ILE A 18 4.870 1.776 10.057 1.00 0.00 C ATOM 0 H ILE A 18 3.542 5.532 10.823 1.00 0.00 H new ATOM 0 HA ILE A 18 2.211 4.437 8.404 1.00 0.00 H new ATOM 0 HB ILE A 18 3.065 3.269 11.030 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.684 2.181 8.302 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.578 3.568 8.892 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.011 1.169 10.305 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.815 2.459 10.579 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.284 2.018 8.920 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.739 1.462 9.478 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.201 2.307 10.949 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.293 0.899 10.350 1.00 0.00 H new ATOM 258 N ILE A 19 -0.119 4.305 9.367 1.00 0.00 N ATOM 259 CA ILE A 19 -1.498 4.569 9.742 1.00 0.00 C ATOM 260 C ILE A 19 -2.180 3.253 10.121 1.00 0.00 C ATOM 261 O ILE A 19 -2.935 3.198 11.091 1.00 0.00 O ATOM 262 CB ILE A 19 -2.218 5.337 8.631 1.00 0.00 C ATOM 263 CG1 ILE A 19 -1.814 4.812 7.252 1.00 0.00 C ATOM 264 CG2 ILE A 19 -1.981 6.843 8.764 1.00 0.00 C ATOM 265 CD1 ILE A 19 -0.625 5.597 6.693 1.00 0.00 C ATOM 0 H ILE A 19 -0.004 3.640 8.602 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.537 5.213 10.620 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.290 5.169 8.738 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.556 3.755 7.323 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.659 4.889 6.568 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.503 7.366 7.963 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.358 7.187 9.727 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.913 7.051 8.697 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.358 5.204 5.712 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.895 6.649 6.601 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.226 5.498 7.367 1.00 0.00 H new ATOM 277 N LYS A 20 -1.890 2.226 9.336 1.00 0.00 N ATOM 278 CA LYS A 20 -2.465 0.914 9.577 1.00 0.00 C ATOM 279 C LYS A 20 -1.578 -0.154 8.935 1.00 0.00 C ATOM 280 O LYS A 20 -1.242 -0.059 7.755 1.00 0.00 O ATOM 281 CB LYS A 20 -3.920 0.871 9.104 1.00 0.00 C ATOM 282 CG LYS A 20 -4.577 -0.461 9.470 1.00 0.00 C ATOM 283 CD LYS A 20 -5.154 -1.147 8.230 1.00 0.00 C ATOM 284 CE LYS A 20 -6.669 -1.319 8.354 1.00 0.00 C ATOM 285 NZ LYS A 20 -7.329 -0.003 8.514 1.00 0.00 N ATOM 0 H LYS A 20 -1.264 2.276 8.532 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.495 0.703 10.646 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.477 1.692 9.556 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.959 1.015 8.024 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.844 -1.114 9.943 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.370 -0.291 10.198 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.923 -0.557 7.343 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.683 -2.121 8.097 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.058 -1.822 7.468 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.900 -1.955 9.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.858 0.014 9.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.609 0.748 8.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.984 0.155 7.722 1.00 0.00 H new ATOM 299 N GLN A 21 -1.223 -1.146 9.739 1.00 0.00 N ATOM 300 CA GLN A 21 -0.381 -2.230 9.263 1.00 0.00 C ATOM 301 C GLN A 21 -0.759 -3.540 9.958 1.00 0.00 C ATOM 302 O GLN A 21 -1.328 -3.526 11.049 1.00 0.00 O ATOM 303 CB GLN A 21 1.099 -1.906 9.470 1.00 0.00 C ATOM 304 CG GLN A 21 1.496 -2.070 10.939 1.00 0.00 C ATOM 305 CD GLN A 21 1.990 -0.746 11.525 1.00 0.00 C ATOM 306 OE1 GLN A 21 3.177 -0.514 11.688 1.00 0.00 O ATOM 307 NE2 GLN A 21 1.017 0.107 11.830 1.00 0.00 N ATOM 0 H GLN A 21 -1.503 -1.221 10.717 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.546 -2.349 8.192 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.709 -2.562 8.849 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.300 -0.885 9.147 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.641 -2.429 11.512 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.278 -2.824 11.026 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.043 -0.151 11.668 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.244 1.019 12.226 1.00 0.00 H new ATOM 316 N GLY A 22 -0.426 -4.640 9.299 1.00 0.00 N ATOM 317 CA GLY A 22 -0.723 -5.955 9.841 1.00 0.00 C ATOM 318 C GLY A 22 -0.396 -7.052 8.826 1.00 0.00 C ATOM 319 O GLY A 22 0.517 -6.902 8.016 1.00 0.00 O ATOM 0 H GLY A 22 0.046 -4.648 8.395 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.148 -6.115 10.753 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.777 -6.010 10.115 1.00 0.00 H new ATOM 323 N CYS A 23 -1.160 -8.132 8.903 1.00 0.00 N ATOM 324 CA CYS A 23 -0.963 -9.254 8.001 1.00 0.00 C ATOM 325 C CYS A 23 -2.125 -9.281 7.006 1.00 0.00 C ATOM 326 O CYS A 23 -3.261 -8.971 7.364 1.00 0.00 O ATOM 327 CB CYS A 23 -0.833 -10.575 8.762 1.00 0.00 C ATOM 328 SG CYS A 23 0.881 -10.783 9.369 1.00 0.00 S ATOM 0 H CYS A 23 -1.917 -8.254 9.576 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.025 -9.128 7.460 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.529 -10.591 9.601 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -1.100 -11.407 8.111 1.00 0.00 H new ATOM 0 HG CYS A 23 0.979 -11.907 10.015 1.00 0.00 H new ATOM 334 N LEU A 24 -1.801 -9.653 5.777 1.00 0.00 N ATOM 335 CA LEU A 24 -2.804 -9.723 4.728 1.00 0.00 C ATOM 336 C LEU A 24 -2.485 -10.899 3.802 1.00 0.00 C ATOM 337 O LEU A 24 -1.351 -11.374 3.763 1.00 0.00 O ATOM 338 CB LEU A 24 -2.914 -8.381 4.001 1.00 0.00 C ATOM 339 CG LEU A 24 -3.774 -7.317 4.686 1.00 0.00 C ATOM 340 CD1 LEU A 24 -3.984 -6.109 3.770 1.00 0.00 C ATOM 341 CD2 LEU A 24 -5.100 -7.909 5.167 1.00 0.00 C ATOM 0 H LEU A 24 -0.858 -9.909 5.484 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.789 -9.910 5.155 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.910 -7.978 3.869 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.319 -8.562 3.005 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.241 -6.963 5.569 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.598 -5.368 4.281 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.018 -5.670 3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.485 -6.428 2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.692 -7.131 5.650 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.651 -8.308 4.315 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.904 -8.710 5.879 1.00 0.00 H new ATOM 353 N LEU A 25 -3.507 -11.336 3.080 1.00 0.00 N ATOM 354 CA LEU A 25 -3.350 -12.447 2.157 1.00 0.00 C ATOM 355 C LEU A 25 -3.247 -11.909 0.729 1.00 0.00 C ATOM 356 O LEU A 25 -4.260 -11.600 0.103 1.00 0.00 O ATOM 357 CB LEU A 25 -4.474 -13.467 2.350 1.00 0.00 C ATOM 358 CG LEU A 25 -4.712 -13.940 3.786 1.00 0.00 C ATOM 359 CD1 LEU A 25 -3.467 -14.628 4.349 1.00 0.00 C ATOM 360 CD2 LEU A 25 -5.179 -12.785 4.674 1.00 0.00 C ATOM 0 H LEU A 25 -4.447 -10.941 3.116 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.424 -12.984 2.363 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.400 -13.033 1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.257 -14.339 1.733 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.512 -14.680 3.774 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.662 -14.955 5.370 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.219 -15.492 3.733 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.631 -13.928 4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.341 -13.149 5.689 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.419 -12.004 4.685 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.111 -12.378 4.282 1.00 0.00 H new ATOM 372 N LYS A 26 -2.013 -11.811 0.255 1.00 0.00 N ATOM 373 CA LYS A 26 -1.765 -11.315 -1.088 1.00 0.00 C ATOM 374 C LYS A 26 -1.728 -12.493 -2.064 1.00 0.00 C ATOM 375 O LYS A 26 -0.986 -13.452 -1.857 1.00 0.00 O ATOM 376 CB LYS A 26 -0.500 -10.454 -1.115 1.00 0.00 C ATOM 377 CG LYS A 26 -0.328 -9.776 -2.476 1.00 0.00 C ATOM 378 CD LYS A 26 1.153 -9.624 -2.829 1.00 0.00 C ATOM 379 CE LYS A 26 1.343 -9.465 -4.339 1.00 0.00 C ATOM 380 NZ LYS A 26 1.543 -10.786 -4.978 1.00 0.00 N ATOM 0 H LYS A 26 -1.175 -12.067 0.777 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.576 -10.661 -1.409 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.554 -9.698 -0.332 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.371 -11.074 -0.901 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.830 -10.363 -3.245 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.805 -8.796 -2.461 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.566 -8.757 -2.314 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.705 -10.496 -2.479 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.472 -8.973 -4.771 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.202 -8.824 -4.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.981 -10.657 -5.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.164 -11.370 -4.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.624 -11.261 -5.089 1.00 0.00 H new ATOM 394 N GLN A 27 -2.538 -12.382 -3.106 1.00 0.00 N ATOM 395 CA GLN A 27 -2.607 -13.426 -4.114 1.00 0.00 C ATOM 396 C GLN A 27 -1.613 -13.141 -5.242 1.00 0.00 C ATOM 397 O GLN A 27 -1.040 -12.055 -5.310 1.00 0.00 O ATOM 398 CB GLN A 27 -4.029 -13.568 -4.660 1.00 0.00 C ATOM 399 CG GLN A 27 -4.612 -14.942 -4.323 1.00 0.00 C ATOM 400 CD GLN A 27 -5.706 -15.333 -5.318 1.00 0.00 C ATOM 401 OE1 GLN A 27 -6.153 -14.541 -6.131 1.00 0.00 O ATOM 402 NE2 GLN A 27 -6.112 -16.594 -5.208 1.00 0.00 N ATOM 0 H GLN A 27 -3.152 -11.585 -3.274 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.336 -14.373 -3.647 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.663 -12.787 -4.240 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.023 -13.427 -5.741 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.820 -15.690 -4.336 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.022 -14.929 -3.313 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.695 -17.204 -4.505 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.840 -16.951 -5.827 1.00 0.00 H new ATOM 411 N GLY A 28 -1.438 -14.137 -6.099 1.00 0.00 N ATOM 412 CA GLY A 28 -0.523 -14.007 -7.220 1.00 0.00 C ATOM 413 C GLY A 28 -0.894 -14.976 -8.345 1.00 0.00 C ATOM 414 O GLY A 28 -1.086 -14.562 -9.488 1.00 0.00 O ATOM 0 H GLY A 28 -1.914 -15.037 -6.039 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.544 -12.984 -7.595 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.496 -14.204 -6.887 1.00 0.00 H new ATOM 418 N HIS A 29 -0.983 -16.247 -7.983 1.00 0.00 N ATOM 419 CA HIS A 29 -1.327 -17.278 -8.947 1.00 0.00 C ATOM 420 C HIS A 29 -2.708 -16.988 -9.537 1.00 0.00 C ATOM 421 O HIS A 29 -3.325 -15.975 -9.214 1.00 0.00 O ATOM 422 CB HIS A 29 -1.232 -18.668 -8.314 1.00 0.00 C ATOM 423 CG HIS A 29 -0.220 -19.575 -8.971 1.00 0.00 C ATOM 424 ND1 HIS A 29 0.859 -20.113 -8.291 1.00 0.00 N ATOM 425 CD2 HIS A 29 -0.134 -20.033 -10.253 1.00 0.00 C ATOM 426 CE1 HIS A 29 1.556 -20.859 -9.135 1.00 0.00 C ATOM 427 NE2 HIS A 29 0.939 -20.808 -10.351 1.00 0.00 N ATOM 0 H HIS A 29 -0.823 -16.587 -7.035 1.00 0.00 H new ATOM 0 HA HIS A 29 -0.610 -17.267 -9.768 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -0.976 -18.559 -7.260 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -2.212 -19.143 -8.357 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -0.823 -19.804 -11.053 1.00 0.00 H new ATOM 0 HE1 HIS A 29 2.455 -21.411 -8.902 1.00 0.00 H new ATOM 0 HE2 HIS A 29 1.251 -21.287 -11.196 1.00 0.00 H new ATOM 435 N ARG A 30 -3.153 -17.897 -10.393 1.00 0.00 N ATOM 436 CA ARG A 30 -4.450 -17.752 -11.031 1.00 0.00 C ATOM 437 C ARG A 30 -5.562 -18.208 -10.084 1.00 0.00 C ATOM 438 O ARG A 30 -6.621 -17.586 -10.020 1.00 0.00 O ATOM 439 CB ARG A 30 -4.523 -18.569 -12.323 1.00 0.00 C ATOM 440 CG ARG A 30 -3.817 -17.844 -13.471 1.00 0.00 C ATOM 441 CD ARG A 30 -4.814 -17.035 -14.303 1.00 0.00 C ATOM 442 NE ARG A 30 -5.676 -17.947 -15.087 1.00 0.00 N ATOM 443 CZ ARG A 30 -5.255 -18.654 -16.145 1.00 0.00 C ATOM 444 NH1 ARG A 30 -3.982 -18.559 -16.551 1.00 0.00 N ATOM 445 NH2 ARG A 30 -6.108 -19.457 -16.797 1.00 0.00 N ATOM 0 H ARG A 30 -2.638 -18.736 -10.659 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.584 -16.698 -11.273 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.063 -19.545 -12.167 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.566 -18.747 -12.587 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.050 -17.181 -13.070 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.311 -18.570 -14.108 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.427 -16.414 -13.649 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.279 -16.361 -14.973 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.651 -18.044 -14.805 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.333 -17.948 -16.055 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.662 -19.097 -17.356 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.077 -19.530 -16.488 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.788 -19.995 -17.602 1.00 0.00 H new ATOM 459 N ARG A 31 -5.283 -19.290 -9.372 1.00 0.00 N ATOM 460 CA ARG A 31 -6.246 -19.836 -8.432 1.00 0.00 C ATOM 461 C ARG A 31 -5.567 -20.845 -7.503 1.00 0.00 C ATOM 462 O ARG A 31 -5.817 -22.046 -7.596 1.00 0.00 O ATOM 463 CB ARG A 31 -7.401 -20.524 -9.163 1.00 0.00 C ATOM 464 CG ARG A 31 -8.724 -20.302 -8.428 1.00 0.00 C ATOM 465 CD ARG A 31 -9.435 -21.632 -8.166 1.00 0.00 C ATOM 466 NE ARG A 31 -10.577 -21.787 -9.095 1.00 0.00 N ATOM 467 CZ ARG A 31 -11.401 -22.843 -9.104 1.00 0.00 C ATOM 468 NH1 ARG A 31 -11.214 -23.845 -8.233 1.00 0.00 N ATOM 469 NH2 ARG A 31 -12.411 -22.899 -9.982 1.00 0.00 N ATOM 0 H ARG A 31 -4.403 -19.803 -9.428 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.644 -19.007 -7.846 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.476 -20.136 -10.179 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -7.200 -21.592 -9.244 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.538 -19.792 -7.483 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.368 -19.651 -9.019 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.736 -22.459 -8.294 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.787 -21.669 -7.135 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.747 -21.042 -9.771 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.445 -23.803 -7.564 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.841 -24.650 -8.239 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.553 -22.137 -10.645 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.038 -23.704 -9.988 1.00 0.00 H new ATOM 483 N LYS A 32 -4.723 -20.320 -6.628 1.00 0.00 N ATOM 484 CA LYS A 32 -4.006 -21.160 -5.683 1.00 0.00 C ATOM 485 C LYS A 32 -4.138 -20.567 -4.278 1.00 0.00 C ATOM 486 O LYS A 32 -4.480 -19.395 -4.125 1.00 0.00 O ATOM 487 CB LYS A 32 -2.558 -21.358 -6.133 1.00 0.00 C ATOM 488 CG LYS A 32 -2.448 -22.504 -7.141 1.00 0.00 C ATOM 489 CD LYS A 32 -1.810 -23.738 -6.501 1.00 0.00 C ATOM 490 CE LYS A 32 -0.631 -24.241 -7.336 1.00 0.00 C ATOM 491 NZ LYS A 32 0.180 -25.205 -6.560 1.00 0.00 N ATOM 0 H LYS A 32 -4.519 -19.323 -6.553 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.444 -22.157 -5.651 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.184 -20.438 -6.581 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.930 -21.569 -5.267 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.439 -22.757 -7.519 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.853 -22.185 -7.996 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.470 -23.495 -5.494 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.555 -24.528 -6.404 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.998 -24.715 -8.246 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.010 -23.399 -7.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.976 -25.536 -7.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.546 -24.741 -5.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.411 -26.016 -6.288 1.00 0.00 H new ATOM 505 N ASN A 33 -3.860 -21.403 -3.289 1.00 0.00 N ATOM 506 CA ASN A 33 -3.943 -20.976 -1.903 1.00 0.00 C ATOM 507 C ASN A 33 -3.295 -19.598 -1.758 1.00 0.00 C ATOM 508 O ASN A 33 -2.461 -19.211 -2.576 1.00 0.00 O ATOM 509 CB ASN A 33 -3.201 -21.946 -0.982 1.00 0.00 C ATOM 510 CG ASN A 33 -3.786 -23.356 -1.084 1.00 0.00 C ATOM 511 OD1 ASN A 33 -4.931 -23.555 -1.455 1.00 0.00 O ATOM 512 ND2 ASN A 33 -2.939 -24.320 -0.737 1.00 0.00 N ATOM 0 H ASN A 33 -3.577 -22.374 -3.420 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.996 -20.946 -1.623 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.144 -21.967 -1.246 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -3.265 -21.596 0.048 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.234 -25.296 -0.772 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.994 -24.084 -0.435 1.00 0.00 H new ATOM 519 N TRP A 34 -3.703 -18.894 -0.712 1.00 0.00 N ATOM 520 CA TRP A 34 -3.172 -17.567 -0.450 1.00 0.00 C ATOM 521 C TRP A 34 -1.924 -17.720 0.422 1.00 0.00 C ATOM 522 O TRP A 34 -1.594 -18.825 0.850 1.00 0.00 O ATOM 523 CB TRP A 34 -4.235 -16.666 0.181 1.00 0.00 C ATOM 524 CG TRP A 34 -5.519 -16.547 -0.643 1.00 0.00 C ATOM 525 CD1 TRP A 34 -6.209 -17.528 -1.241 1.00 0.00 C ATOM 526 CD2 TRP A 34 -6.243 -15.334 -0.936 1.00 0.00 C ATOM 527 NE1 TRP A 34 -7.320 -17.038 -1.896 1.00 0.00 N ATOM 528 CE2 TRP A 34 -7.342 -15.661 -1.705 1.00 0.00 C ATOM 529 CE3 TRP A 34 -5.979 -14.004 -0.565 1.00 0.00 C ATOM 530 CZ2 TRP A 34 -8.263 -14.714 -2.168 1.00 0.00 C ATOM 531 CZ3 TRP A 34 -6.909 -13.069 -1.035 1.00 0.00 C ATOM 532 CH2 TRP A 34 -8.020 -13.382 -1.810 1.00 0.00 C ATOM 0 H TRP A 34 -4.395 -19.218 -0.036 1.00 0.00 H new ATOM 0 HA TRP A 34 -2.888 -17.075 -1.380 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -4.484 -17.053 1.169 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -3.814 -15.671 0.325 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -5.930 -18.571 -1.214 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -8.000 -17.585 -2.423 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -5.126 -13.725 0.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -9.115 -14.995 -2.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -6.752 -12.032 -0.777 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -8.692 -12.602 -2.134 1.00 0.00 H new ATOM 543 N LYS A 35 -1.266 -16.596 0.660 1.00 0.00 N ATOM 544 CA LYS A 35 -0.062 -16.591 1.474 1.00 0.00 C ATOM 545 C LYS A 35 -0.053 -15.342 2.357 1.00 0.00 C ATOM 546 O LYS A 35 -0.001 -14.221 1.852 1.00 0.00 O ATOM 547 CB LYS A 35 1.181 -16.730 0.592 1.00 0.00 C ATOM 548 CG LYS A 35 1.905 -18.049 0.869 1.00 0.00 C ATOM 549 CD LYS A 35 3.211 -18.135 0.077 1.00 0.00 C ATOM 550 CE LYS A 35 3.705 -19.580 -0.012 1.00 0.00 C ATOM 551 NZ LYS A 35 5.161 -19.647 0.247 1.00 0.00 N ATOM 0 H LYS A 35 -1.543 -15.681 0.303 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.050 -17.453 2.141 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.893 -16.683 -0.458 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.857 -15.895 0.775 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.116 -18.135 1.935 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.259 -18.885 0.603 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.059 -17.737 -0.926 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.971 -17.516 0.554 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.172 -20.198 0.711 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.486 -19.985 -1.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.480 -20.635 0.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.666 -19.074 -0.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.361 -19.280 1.199 1.00 0.00 H new ATOM 565 N VAL A 36 -0.104 -15.577 3.660 1.00 0.00 N ATOM 566 CA VAL A 36 -0.102 -14.484 4.617 1.00 0.00 C ATOM 567 C VAL A 36 1.144 -13.623 4.400 1.00 0.00 C ATOM 568 O VAL A 36 2.222 -14.144 4.118 1.00 0.00 O ATOM 569 CB VAL A 36 -0.207 -15.036 6.041 1.00 0.00 C ATOM 570 CG1 VAL A 36 0.106 -13.951 7.074 1.00 0.00 C ATOM 571 CG2 VAL A 36 -1.585 -15.650 6.291 1.00 0.00 C ATOM 0 H VAL A 36 -0.147 -16.508 4.075 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.970 -13.842 4.466 1.00 0.00 H new ATOM 0 HB VAL A 36 0.536 -15.826 6.150 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.024 -14.369 8.077 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.119 -13.580 6.917 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.602 -13.129 6.965 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.633 -16.034 7.310 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.353 -14.889 6.154 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.753 -16.465 5.587 1.00 0.00 H new ATOM 581 N ARG A 37 0.955 -12.319 4.540 1.00 0.00 N ATOM 582 CA ARG A 37 2.050 -11.381 4.362 1.00 0.00 C ATOM 583 C ARG A 37 1.781 -10.096 5.148 1.00 0.00 C ATOM 584 O ARG A 37 0.635 -9.663 5.264 1.00 0.00 O ATOM 585 CB ARG A 37 2.245 -11.035 2.885 1.00 0.00 C ATOM 586 CG ARG A 37 3.398 -11.840 2.281 1.00 0.00 C ATOM 587 CD ARG A 37 4.476 -10.914 1.715 1.00 0.00 C ATOM 588 NE ARG A 37 4.258 -10.709 0.265 1.00 0.00 N ATOM 589 CZ ARG A 37 4.557 -11.615 -0.675 1.00 0.00 C ATOM 590 NH1 ARG A 37 5.090 -12.794 -0.324 1.00 0.00 N ATOM 591 NH2 ARG A 37 4.325 -11.343 -1.966 1.00 0.00 N ATOM 0 H ARG A 37 0.060 -11.890 4.775 1.00 0.00 H new ATOM 0 HA ARG A 37 2.957 -11.856 4.735 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.326 -11.240 2.335 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.447 -9.969 2.781 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.833 -12.487 3.043 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.019 -12.488 1.491 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.452 -9.956 2.234 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.463 -11.345 1.885 1.00 0.00 H new ATOM 0 HE ARG A 37 3.855 -9.822 -0.037 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.268 -13.001 0.659 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.318 -13.484 -1.040 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.921 -10.446 -2.233 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.553 -12.033 -2.682 1.00 0.00 H new ATOM 605 N LYS A 38 2.856 -9.522 5.668 1.00 0.00 N ATOM 606 CA LYS A 38 2.750 -8.295 6.440 1.00 0.00 C ATOM 607 C LYS A 38 2.645 -7.105 5.485 1.00 0.00 C ATOM 608 O LYS A 38 3.386 -7.021 4.507 1.00 0.00 O ATOM 609 CB LYS A 38 3.909 -8.186 7.434 1.00 0.00 C ATOM 610 CG LYS A 38 3.774 -6.930 8.297 1.00 0.00 C ATOM 611 CD LYS A 38 4.223 -7.202 9.734 1.00 0.00 C ATOM 612 CE LYS A 38 4.750 -5.926 10.394 1.00 0.00 C ATOM 613 NZ LYS A 38 5.890 -6.236 11.285 1.00 0.00 N ATOM 0 H LYS A 38 3.805 -9.884 5.570 1.00 0.00 H new ATOM 0 HA LYS A 38 1.842 -8.301 7.043 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.930 -9.070 8.072 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.855 -8.160 6.894 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.373 -6.125 7.871 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.738 -6.592 8.294 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.387 -7.596 10.312 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.001 -7.966 9.738 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.062 -5.216 9.628 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.953 -5.449 10.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.235 -5.359 11.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.581 -6.897 12.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.656 -6.670 10.731 1.00 0.00 H new ATOM 627 N PHE A 39 1.717 -6.213 5.802 1.00 0.00 N ATOM 628 CA PHE A 39 1.505 -5.031 4.985 1.00 0.00 C ATOM 629 C PHE A 39 1.472 -3.767 5.847 1.00 0.00 C ATOM 630 O PHE A 39 0.636 -3.642 6.740 1.00 0.00 O ATOM 631 CB PHE A 39 0.149 -5.200 4.297 1.00 0.00 C ATOM 632 CG PHE A 39 0.220 -5.919 2.948 1.00 0.00 C ATOM 633 CD1 PHE A 39 0.216 -7.278 2.901 1.00 0.00 C ATOM 634 CD2 PHE A 39 0.287 -5.198 1.797 1.00 0.00 C ATOM 635 CE1 PHE A 39 0.283 -7.945 1.649 1.00 0.00 C ATOM 636 CE2 PHE A 39 0.354 -5.865 0.545 1.00 0.00 C ATOM 637 CZ PHE A 39 0.350 -7.224 0.497 1.00 0.00 C ATOM 0 H PHE A 39 1.104 -6.286 6.614 1.00 0.00 H new ATOM 0 HA PHE A 39 2.317 -4.926 4.265 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.516 -5.756 4.959 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.297 -4.216 4.150 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.162 -7.850 3.816 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.289 -4.119 1.835 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.281 -9.024 1.611 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.408 -5.293 -0.369 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.400 -7.731 -0.455 1.00 0.00 H new ATOM 647 N ILE A 40 2.393 -2.862 5.548 1.00 0.00 N ATOM 648 CA ILE A 40 2.480 -1.613 6.284 1.00 0.00 C ATOM 649 C ILE A 40 2.073 -0.457 5.369 1.00 0.00 C ATOM 650 O ILE A 40 2.590 -0.327 4.260 1.00 0.00 O ATOM 651 CB ILE A 40 3.871 -1.449 6.900 1.00 0.00 C ATOM 652 CG1 ILE A 40 4.151 -2.550 7.924 1.00 0.00 C ATOM 653 CG2 ILE A 40 4.046 -0.052 7.498 1.00 0.00 C ATOM 654 CD1 ILE A 40 5.655 -2.769 8.098 1.00 0.00 C ATOM 0 H ILE A 40 3.085 -2.969 4.806 1.00 0.00 H new ATOM 0 HA ILE A 40 1.784 -1.617 7.123 1.00 0.00 H new ATOM 0 HB ILE A 40 4.610 -1.553 6.105 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.706 -2.282 8.882 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.680 -3.479 7.602 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.043 0.037 7.929 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.920 0.697 6.716 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.299 0.107 8.276 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.825 -3.557 8.832 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.093 -3.061 7.143 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.120 -1.845 8.443 1.00 0.00 H new ATOM 666 N LEU A 41 1.150 0.354 5.866 1.00 0.00 N ATOM 667 CA LEU A 41 0.668 1.495 5.107 1.00 0.00 C ATOM 668 C LEU A 41 1.175 2.784 5.754 1.00 0.00 C ATOM 669 O LEU A 41 1.095 2.946 6.971 1.00 0.00 O ATOM 670 CB LEU A 41 -0.854 1.437 4.962 1.00 0.00 C ATOM 671 CG LEU A 41 -1.501 2.601 4.209 1.00 0.00 C ATOM 672 CD1 LEU A 41 -1.335 2.436 2.697 1.00 0.00 C ATOM 673 CD2 LEU A 41 -2.969 2.766 4.609 1.00 0.00 C ATOM 0 H LEU A 41 0.723 0.243 6.786 1.00 0.00 H new ATOM 0 HA LEU A 41 1.063 1.471 4.092 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.115 0.510 4.452 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.292 1.387 5.959 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.985 3.519 4.492 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.804 3.277 2.186 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.274 2.406 2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.809 1.508 2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.404 3.600 4.059 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.515 1.852 4.374 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.035 2.963 5.679 1.00 0.00 H new ATOM 685 N ARG A 42 1.687 3.670 4.912 1.00 0.00 N ATOM 686 CA ARG A 42 2.207 4.941 5.387 1.00 0.00 C ATOM 687 C ARG A 42 1.799 6.070 4.438 1.00 0.00 C ATOM 688 O ARG A 42 2.024 5.985 3.232 1.00 0.00 O ATOM 689 CB ARG A 42 3.733 4.904 5.497 1.00 0.00 C ATOM 690 CG ARG A 42 4.373 4.582 4.146 1.00 0.00 C ATOM 691 CD ARG A 42 5.887 4.411 4.283 1.00 0.00 C ATOM 692 NE ARG A 42 6.194 3.111 4.919 1.00 0.00 N ATOM 693 CZ ARG A 42 7.362 2.467 4.788 1.00 0.00 C ATOM 694 NH1 ARG A 42 8.340 2.999 4.043 1.00 0.00 N ATOM 695 NH2 ARG A 42 7.552 1.291 5.402 1.00 0.00 N ATOM 0 H ARG A 42 1.753 3.533 3.903 1.00 0.00 H new ATOM 0 HA ARG A 42 1.786 5.123 6.376 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.099 5.866 5.856 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.030 4.156 6.232 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.936 3.670 3.741 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.156 5.381 3.437 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.358 4.465 3.301 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.301 5.224 4.880 1.00 0.00 H new ATOM 0 HE ARG A 42 5.471 2.678 5.493 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.196 3.894 3.576 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.229 2.509 3.943 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.807 0.886 5.969 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.441 0.801 5.302 1.00 0.00 H new ATOM 709 N GLU A 43 1.204 7.101 5.020 1.00 0.00 N ATOM 710 CA GLU A 43 0.761 8.246 4.241 1.00 0.00 C ATOM 711 C GLU A 43 1.756 9.400 4.382 1.00 0.00 C ATOM 712 O GLU A 43 2.257 9.663 5.474 1.00 0.00 O ATOM 713 CB GLU A 43 -0.645 8.681 4.657 1.00 0.00 C ATOM 714 CG GLU A 43 -0.674 9.113 6.125 1.00 0.00 C ATOM 715 CD GLU A 43 -1.085 10.581 6.256 1.00 0.00 C ATOM 716 OE1 GLU A 43 -2.027 10.974 5.535 1.00 0.00 O ATOM 717 OE2 GLU A 43 -0.446 11.278 7.074 1.00 0.00 O ATOM 0 H GLU A 43 1.018 7.168 6.021 1.00 0.00 H new ATOM 0 HA GLU A 43 0.719 7.953 3.192 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.976 9.505 4.025 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.344 7.859 4.502 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.372 8.485 6.679 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.310 8.966 6.571 1.00 0.00 H new ATOM 724 N ASP A 44 2.014 10.057 3.260 1.00 0.00 N ATOM 725 CA ASP A 44 2.940 11.176 3.245 1.00 0.00 C ATOM 726 C ASP A 44 4.304 10.711 3.758 1.00 0.00 C ATOM 727 O ASP A 44 4.672 10.994 4.897 1.00 0.00 O ATOM 728 CB ASP A 44 2.453 12.307 4.153 1.00 0.00 C ATOM 729 CG ASP A 44 3.476 13.415 4.412 1.00 0.00 C ATOM 730 OD1 ASP A 44 4.173 13.781 3.442 1.00 0.00 O ATOM 731 OD2 ASP A 44 3.537 13.870 5.575 1.00 0.00 O ATOM 0 H ASP A 44 1.598 9.835 2.356 1.00 0.00 H new ATOM 0 HA ASP A 44 3.010 11.542 2.221 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.563 12.752 3.708 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.152 11.880 5.110 1.00 0.00 H new ATOM 736 N PRO A 45 5.036 9.987 2.870 1.00 0.00 N ATOM 737 CA PRO A 45 4.526 9.697 1.540 1.00 0.00 C ATOM 738 C PRO A 45 3.450 8.611 1.591 1.00 0.00 C ATOM 739 O PRO A 45 3.290 7.938 2.607 1.00 0.00 O ATOM 740 CB PRO A 45 5.746 9.287 0.732 1.00 0.00 C ATOM 741 CG PRO A 45 6.813 8.914 1.748 1.00 0.00 C ATOM 742 CD PRO A 45 6.363 9.428 3.106 1.00 0.00 C ATOM 0 HA PRO A 45 4.032 10.554 1.082 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.517 8.445 0.079 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.083 10.103 0.093 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.952 7.833 1.776 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.772 9.352 1.473 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.329 8.625 3.842 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.048 10.184 3.490 1.00 0.00 H new ATOM 750 N ALA A 46 2.739 8.476 0.481 1.00 0.00 N ATOM 751 CA ALA A 46 1.682 7.483 0.386 1.00 0.00 C ATOM 752 C ALA A 46 2.226 6.230 -0.303 1.00 0.00 C ATOM 753 O ALA A 46 2.265 6.159 -1.531 1.00 0.00 O ATOM 754 CB ALA A 46 0.484 8.082 -0.354 1.00 0.00 C ATOM 0 H ALA A 46 2.874 9.037 -0.360 1.00 0.00 H new ATOM 0 HA ALA A 46 1.339 7.191 1.379 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.309 7.337 -0.425 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.117 8.952 0.191 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.789 8.384 -1.356 1.00 0.00 H new ATOM 760 N TYR A 47 2.631 5.271 0.517 1.00 0.00 N ATOM 761 CA TYR A 47 3.171 4.024 0.002 1.00 0.00 C ATOM 762 C TYR A 47 2.803 2.851 0.912 1.00 0.00 C ATOM 763 O TYR A 47 2.625 3.026 2.116 1.00 0.00 O ATOM 764 CB TYR A 47 4.692 4.193 -0.003 1.00 0.00 C ATOM 765 CG TYR A 47 5.242 4.837 -1.277 1.00 0.00 C ATOM 766 CD1 TYR A 47 4.878 4.342 -2.513 1.00 0.00 C ATOM 767 CD2 TYR A 47 6.103 5.912 -1.191 1.00 0.00 C ATOM 768 CE1 TYR A 47 5.396 4.947 -3.712 1.00 0.00 C ATOM 769 CE2 TYR A 47 6.621 6.518 -2.390 1.00 0.00 C ATOM 770 CZ TYR A 47 6.242 6.005 -3.592 1.00 0.00 C ATOM 771 OH TYR A 47 6.731 6.577 -4.725 1.00 0.00 O ATOM 0 H TYR A 47 2.596 5.333 1.535 1.00 0.00 H new ATOM 0 HA TYR A 47 2.771 3.813 -0.990 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.983 4.801 0.854 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.156 3.216 0.127 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.204 3.501 -2.581 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.388 6.299 -0.224 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.119 4.569 -4.685 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.295 7.360 -2.337 1.00 0.00 H new ATOM 0 HH TYR A 47 7.321 7.322 -4.487 1.00 0.00 H new ATOM 781 N LEU A 48 2.700 1.680 0.301 1.00 0.00 N ATOM 782 CA LEU A 48 2.356 0.477 1.040 1.00 0.00 C ATOM 783 C LEU A 48 3.516 -0.517 0.956 1.00 0.00 C ATOM 784 O LEU A 48 3.794 -1.063 -0.111 1.00 0.00 O ATOM 785 CB LEU A 48 1.022 -0.091 0.551 1.00 0.00 C ATOM 786 CG LEU A 48 0.652 -1.480 1.075 1.00 0.00 C ATOM 787 CD1 LEU A 48 1.417 -2.571 0.324 1.00 0.00 C ATOM 788 CD2 LEU A 48 0.863 -1.569 2.587 1.00 0.00 C ATOM 0 H LEU A 48 2.849 1.539 -0.698 1.00 0.00 H new ATOM 0 HA LEU A 48 2.209 0.708 2.095 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.230 0.604 0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.043 -0.129 -0.538 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.409 -1.644 0.888 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.136 -3.548 0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.173 -2.522 -0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.488 -2.422 0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.593 -2.566 2.934 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.910 -1.375 2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.237 -0.829 3.086 1.00 0.00 H new ATOM 800 N HIS A 49 4.161 -0.722 2.095 1.00 0.00 N ATOM 801 CA HIS A 49 5.285 -1.641 2.163 1.00 0.00 C ATOM 802 C HIS A 49 4.867 -2.908 2.913 1.00 0.00 C ATOM 803 O HIS A 49 4.387 -2.835 4.043 1.00 0.00 O ATOM 804 CB HIS A 49 6.506 -0.961 2.784 1.00 0.00 C ATOM 805 CG HIS A 49 6.934 0.300 2.072 1.00 0.00 C ATOM 806 ND1 HIS A 49 6.429 1.549 2.391 1.00 0.00 N ATOM 807 CD2 HIS A 49 7.825 0.493 1.057 1.00 0.00 C ATOM 808 CE1 HIS A 49 6.996 2.445 1.596 1.00 0.00 C ATOM 809 NE2 HIS A 49 7.860 1.788 0.770 1.00 0.00 N ATOM 0 H HIS A 49 3.927 -0.268 2.978 1.00 0.00 H new ATOM 0 HA HIS A 49 5.579 -1.936 1.156 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.286 -0.722 3.824 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.339 -1.665 2.788 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.404 -0.278 0.570 1.00 0.00 H new ATOM 0 HE1 HIS A 49 6.807 3.508 1.601 1.00 0.00 H new ATOM 0 HE2 HIS A 49 8.438 2.221 0.050 1.00 0.00 H new ATOM 817 N TYR A 50 5.065 -4.040 2.253 1.00 0.00 N ATOM 818 CA TYR A 50 4.715 -5.321 2.843 1.00 0.00 C ATOM 819 C TYR A 50 5.945 -6.222 2.968 1.00 0.00 C ATOM 820 O TYR A 50 6.668 -6.430 1.994 1.00 0.00 O ATOM 821 CB TYR A 50 3.717 -5.969 1.881 1.00 0.00 C ATOM 822 CG TYR A 50 4.262 -6.177 0.467 1.00 0.00 C ATOM 823 CD1 TYR A 50 5.074 -7.259 0.192 1.00 0.00 C ATOM 824 CD2 TYR A 50 3.941 -5.283 -0.535 1.00 0.00 C ATOM 825 CE1 TYR A 50 5.587 -7.454 -1.139 1.00 0.00 C ATOM 826 CE2 TYR A 50 4.454 -5.479 -1.866 1.00 0.00 C ATOM 827 CZ TYR A 50 5.252 -6.555 -2.102 1.00 0.00 C ATOM 828 OH TYR A 50 5.736 -6.740 -3.360 1.00 0.00 O ATOM 0 H TYR A 50 5.463 -4.097 1.316 1.00 0.00 H new ATOM 0 HA TYR A 50 4.303 -5.184 3.843 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.410 -6.933 2.287 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.823 -5.347 1.827 1.00 0.00 H new ATOM 0 HD1 TYR A 50 5.324 -7.959 0.975 1.00 0.00 H new ATOM 0 HD2 TYR A 50 3.305 -4.437 -0.320 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.224 -8.296 -1.367 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.211 -4.787 -2.659 1.00 0.00 H new ATOM 0 HH TYR A 50 5.414 -6.022 -3.943 1.00 0.00 H new ATOM 838 N TYR A 51 6.145 -6.733 4.174 1.00 0.00 N ATOM 839 CA TYR A 51 7.275 -7.607 4.438 1.00 0.00 C ATOM 840 C TYR A 51 6.812 -9.047 4.670 1.00 0.00 C ATOM 841 O TYR A 51 5.663 -9.281 5.041 1.00 0.00 O ATOM 842 CB TYR A 51 7.925 -7.080 5.719 1.00 0.00 C ATOM 843 CG TYR A 51 8.246 -5.585 5.684 1.00 0.00 C ATOM 844 CD1 TYR A 51 7.229 -4.658 5.802 1.00 0.00 C ATOM 845 CD2 TYR A 51 9.551 -5.162 5.536 1.00 0.00 C ATOM 846 CE1 TYR A 51 7.531 -3.251 5.770 1.00 0.00 C ATOM 847 CE2 TYR A 51 9.853 -3.754 5.503 1.00 0.00 C ATOM 848 CZ TYR A 51 8.828 -2.868 5.622 1.00 0.00 C ATOM 849 OH TYR A 51 9.113 -1.539 5.591 1.00 0.00 O ATOM 0 H TYR A 51 5.543 -6.558 4.979 1.00 0.00 H new ATOM 0 HA TYR A 51 7.962 -7.612 3.592 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.260 -7.279 6.560 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.845 -7.635 5.902 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.207 -4.989 5.918 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.346 -5.887 5.445 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.745 -2.516 5.861 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.870 -3.410 5.386 1.00 0.00 H new ATOM 0 HH TYR A 51 10.081 -1.410 5.674 1.00 0.00 H new ATOM 859 N ASP A 52 7.731 -9.974 4.441 1.00 0.00 N ATOM 860 CA ASP A 52 7.431 -11.384 4.620 1.00 0.00 C ATOM 861 C ASP A 52 7.244 -11.676 6.110 1.00 0.00 C ATOM 862 O ASP A 52 7.954 -11.123 6.949 1.00 0.00 O ATOM 863 CB ASP A 52 8.576 -12.260 4.107 1.00 0.00 C ATOM 864 CG ASP A 52 8.428 -13.754 4.399 1.00 0.00 C ATOM 865 OD1 ASP A 52 8.716 -14.138 5.554 1.00 0.00 O ATOM 866 OD2 ASP A 52 8.031 -14.480 3.462 1.00 0.00 O ATOM 0 H ASP A 52 8.683 -9.776 4.133 1.00 0.00 H new ATOM 0 HA ASP A 52 6.524 -11.610 4.059 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.664 -12.123 3.029 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.508 -11.909 4.550 1.00 0.00 H new ATOM 871 N PRO A 53 6.260 -12.568 6.402 1.00 0.00 N ATOM 872 CA PRO A 53 5.971 -12.940 7.777 1.00 0.00 C ATOM 873 C PRO A 53 7.040 -13.888 8.325 1.00 0.00 C ATOM 874 O PRO A 53 7.583 -13.659 9.404 1.00 0.00 O ATOM 875 CB PRO A 53 4.588 -13.568 7.732 1.00 0.00 C ATOM 876 CG PRO A 53 4.349 -13.947 6.279 1.00 0.00 C ATOM 877 CD PRO A 53 5.400 -13.244 5.435 1.00 0.00 C ATOM 0 HA PRO A 53 5.985 -12.087 8.455 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.536 -14.445 8.378 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.830 -12.868 8.083 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.416 -15.027 6.150 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.348 -13.650 5.967 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.965 -13.955 4.832 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.944 -12.533 4.746 1.00 0.00 H new ATOM 885 N ALA A 54 7.311 -14.932 7.555 1.00 0.00 N ATOM 886 CA ALA A 54 8.305 -15.915 7.950 1.00 0.00 C ATOM 887 C ALA A 54 9.508 -15.198 8.567 1.00 0.00 C ATOM 888 O ALA A 54 10.143 -15.719 9.483 1.00 0.00 O ATOM 889 CB ALA A 54 8.692 -16.765 6.738 1.00 0.00 C ATOM 0 H ALA A 54 6.859 -15.118 6.660 1.00 0.00 H new ATOM 0 HA ALA A 54 7.900 -16.589 8.705 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.438 -17.503 7.034 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.809 -17.276 6.355 1.00 0.00 H new ATOM 0 HB3 ALA A 54 9.106 -16.123 5.960 1.00 0.00 H new ATOM 895 N GLY A 55 9.784 -14.014 8.041 1.00 0.00 N ATOM 896 CA GLY A 55 10.900 -13.221 8.529 1.00 0.00 C ATOM 897 C GLY A 55 11.589 -12.480 7.381 1.00 0.00 C ATOM 898 O GLY A 55 11.462 -12.870 6.221 1.00 0.00 O ATOM 0 H GLY A 55 9.255 -13.585 7.282 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.545 -12.503 9.269 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.618 -13.868 9.032 1.00 0.00 H new ATOM 902 N ALA A 56 12.303 -11.425 7.745 1.00 0.00 N ATOM 903 CA ALA A 56 13.013 -10.626 6.760 1.00 0.00 C ATOM 904 C ALA A 56 13.426 -9.295 7.391 1.00 0.00 C ATOM 905 O ALA A 56 13.000 -8.970 8.498 1.00 0.00 O ATOM 906 CB ALA A 56 12.130 -10.437 5.524 1.00 0.00 C ATOM 0 H ALA A 56 12.405 -11.105 8.708 1.00 0.00 H new ATOM 0 HA ALA A 56 13.922 -11.133 6.437 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.662 -9.838 4.785 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.889 -11.410 5.097 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.209 -9.928 5.809 1.00 0.00 H new ATOM 912 N GLU A 57 14.251 -8.561 6.659 1.00 0.00 N ATOM 913 CA GLU A 57 14.726 -7.272 7.133 1.00 0.00 C ATOM 914 C GLU A 57 14.219 -6.152 6.224 1.00 0.00 C ATOM 915 O GLU A 57 13.489 -5.267 6.671 1.00 0.00 O ATOM 916 CB GLU A 57 16.253 -7.252 7.228 1.00 0.00 C ATOM 917 CG GLU A 57 16.734 -6.089 8.097 1.00 0.00 C ATOM 918 CD GLU A 57 17.535 -6.595 9.298 1.00 0.00 C ATOM 919 OE1 GLU A 57 18.693 -7.009 9.074 1.00 0.00 O ATOM 920 OE2 GLU A 57 16.971 -6.558 10.413 1.00 0.00 O ATOM 0 H GLU A 57 14.603 -8.834 5.741 1.00 0.00 H new ATOM 0 HA GLU A 57 14.330 -7.107 8.135 1.00 0.00 H new ATOM 0 HB2 GLU A 57 16.607 -8.194 7.647 1.00 0.00 H new ATOM 0 HB3 GLU A 57 16.682 -7.166 6.230 1.00 0.00 H new ATOM 0 HG2 GLU A 57 17.351 -5.417 7.501 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.877 -5.512 8.444 1.00 0.00 H new ATOM 927 N ASP A 58 14.624 -6.225 4.965 1.00 0.00 N ATOM 928 CA ASP A 58 14.219 -5.228 3.989 1.00 0.00 C ATOM 929 C ASP A 58 12.835 -5.586 3.444 1.00 0.00 C ATOM 930 O ASP A 58 12.442 -6.751 3.456 1.00 0.00 O ATOM 931 CB ASP A 58 15.194 -5.183 2.810 1.00 0.00 C ATOM 932 CG ASP A 58 16.671 -5.321 3.187 1.00 0.00 C ATOM 933 OD1 ASP A 58 17.002 -4.942 4.331 1.00 0.00 O ATOM 934 OD2 ASP A 58 17.434 -5.802 2.322 1.00 0.00 O ATOM 0 H ASP A 58 15.229 -6.960 4.598 1.00 0.00 H new ATOM 0 HA ASP A 58 14.207 -4.257 4.485 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.936 -5.981 2.114 1.00 0.00 H new ATOM 0 HB3 ASP A 58 15.056 -4.241 2.280 1.00 0.00 H new ATOM 939 N PRO A 59 12.116 -4.535 2.967 1.00 0.00 N ATOM 940 CA PRO A 59 10.784 -4.727 2.419 1.00 0.00 C ATOM 941 C PRO A 59 10.850 -5.359 1.027 1.00 0.00 C ATOM 942 O PRO A 59 11.759 -5.068 0.251 1.00 0.00 O ATOM 943 CB PRO A 59 10.157 -3.342 2.414 1.00 0.00 C ATOM 944 CG PRO A 59 11.314 -2.361 2.521 1.00 0.00 C ATOM 945 CD PRO A 59 12.550 -3.141 2.936 1.00 0.00 C ATOM 0 HA PRO A 59 10.182 -5.419 3.008 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.586 -3.175 1.501 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.466 -3.223 3.248 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.480 -1.862 1.566 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.089 -1.584 3.252 1.00 0.00 H new ATOM 0 HD2 PRO A 59 13.366 -2.996 2.228 1.00 0.00 H new ATOM 0 HD3 PRO A 59 12.913 -2.818 3.911 1.00 0.00 H new ATOM 953 N LEU A 60 9.874 -6.211 0.753 1.00 0.00 N ATOM 954 CA LEU A 60 9.809 -6.887 -0.532 1.00 0.00 C ATOM 955 C LEU A 60 9.804 -5.844 -1.652 1.00 0.00 C ATOM 956 O LEU A 60 10.475 -6.016 -2.668 1.00 0.00 O ATOM 957 CB LEU A 60 8.615 -7.842 -0.576 1.00 0.00 C ATOM 958 CG LEU A 60 8.728 -9.098 0.290 1.00 0.00 C ATOM 959 CD1 LEU A 60 9.137 -10.309 -0.550 1.00 0.00 C ATOM 960 CD2 LEU A 60 9.679 -8.869 1.467 1.00 0.00 C ATOM 0 H LEU A 60 9.121 -6.449 1.399 1.00 0.00 H new ATOM 0 HA LEU A 60 10.691 -7.510 -0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.725 -7.293 -0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.460 -8.150 -1.610 1.00 0.00 H new ATOM 0 HG LEU A 60 7.745 -9.314 0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.210 -11.188 0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.389 -10.485 -1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.104 -10.119 -1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.741 -9.777 2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.670 -8.614 1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.304 -8.052 2.084 1.00 0.00 H new ATOM 972 N GLY A 61 9.040 -4.785 -1.428 1.00 0.00 N ATOM 973 CA GLY A 61 8.939 -3.715 -2.405 1.00 0.00 C ATOM 974 C GLY A 61 8.085 -2.563 -1.870 1.00 0.00 C ATOM 975 O GLY A 61 7.986 -2.369 -0.660 1.00 0.00 O ATOM 0 H GLY A 61 8.485 -4.645 -0.584 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.935 -3.349 -2.653 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.502 -4.099 -3.327 1.00 0.00 H new ATOM 979 N ALA A 62 7.491 -1.829 -2.799 1.00 0.00 N ATOM 980 CA ALA A 62 6.649 -0.701 -2.437 1.00 0.00 C ATOM 981 C ALA A 62 5.544 -0.538 -3.482 1.00 0.00 C ATOM 982 O ALA A 62 5.808 -0.590 -4.683 1.00 0.00 O ATOM 983 CB ALA A 62 7.511 0.555 -2.298 1.00 0.00 C ATOM 0 H ALA A 62 7.576 -1.993 -3.802 1.00 0.00 H new ATOM 0 HA ALA A 62 6.168 -0.874 -1.474 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.880 1.401 -2.027 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.261 0.398 -1.522 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.008 0.762 -3.246 1.00 0.00 H new ATOM 989 N ILE A 63 4.330 -0.344 -2.989 1.00 0.00 N ATOM 990 CA ILE A 63 3.184 -0.173 -3.866 1.00 0.00 C ATOM 991 C ILE A 63 2.845 1.316 -3.970 1.00 0.00 C ATOM 992 O ILE A 63 2.653 1.985 -2.956 1.00 0.00 O ATOM 993 CB ILE A 63 2.014 -1.038 -3.394 1.00 0.00 C ATOM 994 CG1 ILE A 63 2.489 -2.442 -3.014 1.00 0.00 C ATOM 995 CG2 ILE A 63 0.901 -1.074 -4.442 1.00 0.00 C ATOM 996 CD1 ILE A 63 1.311 -3.327 -2.604 1.00 0.00 C ATOM 0 H ILE A 63 4.115 -0.301 -1.993 1.00 0.00 H new ATOM 0 HA ILE A 63 3.420 -0.518 -4.873 1.00 0.00 H new ATOM 0 HB ILE A 63 1.595 -0.585 -2.495 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.012 -2.894 -3.857 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.204 -2.378 -2.193 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.082 -1.696 -4.081 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.537 -0.062 -4.621 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.290 -1.490 -5.372 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.676 -4.319 -2.339 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.805 -2.885 -1.745 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.611 -3.408 -3.435 1.00 0.00 H new ATOM 1008 N HIS A 64 2.782 1.791 -5.205 1.00 0.00 N ATOM 1009 CA HIS A 64 2.470 3.187 -5.455 1.00 0.00 C ATOM 1010 C HIS A 64 1.027 3.474 -5.035 1.00 0.00 C ATOM 1011 O HIS A 64 0.092 2.877 -5.567 1.00 0.00 O ATOM 1012 CB HIS A 64 2.746 3.553 -6.915 1.00 0.00 C ATOM 1013 CG HIS A 64 2.374 4.972 -7.273 1.00 0.00 C ATOM 1014 ND1 HIS A 64 3.310 5.923 -7.640 1.00 0.00 N ATOM 1015 CD2 HIS A 64 1.158 5.590 -7.318 1.00 0.00 C ATOM 1016 CE1 HIS A 64 2.675 7.059 -7.892 1.00 0.00 C ATOM 1017 NE2 HIS A 64 1.342 6.851 -7.691 1.00 0.00 N ATOM 0 H HIS A 64 2.942 1.233 -6.044 1.00 0.00 H new ATOM 0 HA HIS A 64 3.120 3.821 -4.853 1.00 0.00 H new ATOM 0 HB2 HIS A 64 3.805 3.403 -7.123 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.194 2.870 -7.561 1.00 0.00 H new ATOM 0 HD1 HIS A 64 4.317 5.775 -7.705 1.00 0.00 H new ATOM 0 HD2 HIS A 64 0.207 5.131 -7.089 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.133 7.987 -8.202 1.00 0.00 H new ATOM 1025 N LEU A 65 0.891 4.387 -4.085 1.00 0.00 N ATOM 1026 CA LEU A 65 -0.423 4.759 -3.588 1.00 0.00 C ATOM 1027 C LEU A 65 -0.726 6.203 -3.993 1.00 0.00 C ATOM 1028 O LEU A 65 -1.871 6.647 -3.912 1.00 0.00 O ATOM 1029 CB LEU A 65 -0.515 4.512 -2.081 1.00 0.00 C ATOM 1030 CG LEU A 65 -0.339 3.061 -1.627 1.00 0.00 C ATOM 1031 CD1 LEU A 65 -0.386 2.954 -0.102 1.00 0.00 C ATOM 1032 CD2 LEU A 65 -1.366 2.148 -2.298 1.00 0.00 C ATOM 0 H LEU A 65 1.669 4.880 -3.646 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.192 4.132 -4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.242 5.121 -1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.486 4.865 -1.734 1.00 0.00 H new ATOM 0 HG LEU A 65 0.648 2.722 -1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.259 1.913 0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.415 3.554 0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.348 3.318 0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.219 1.123 -1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.372 2.477 -2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.241 2.193 -3.380 1.00 0.00 H new ATOM 1044 N ARG A 66 0.319 6.896 -4.422 1.00 0.00 N ATOM 1045 CA ARG A 66 0.178 8.280 -4.840 1.00 0.00 C ATOM 1046 C ARG A 66 -1.136 8.474 -5.600 1.00 0.00 C ATOM 1047 O ARG A 66 -2.048 9.137 -5.110 1.00 0.00 O ATOM 1048 CB ARG A 66 1.344 8.706 -5.734 1.00 0.00 C ATOM 1049 CG ARG A 66 2.017 9.970 -5.193 1.00 0.00 C ATOM 1050 CD ARG A 66 2.351 10.941 -6.327 1.00 0.00 C ATOM 1051 NE ARG A 66 3.394 11.894 -5.886 1.00 0.00 N ATOM 1052 CZ ARG A 66 4.216 12.547 -6.719 1.00 0.00 C ATOM 1053 NH1 ARG A 66 4.121 12.354 -8.042 1.00 0.00 N ATOM 1054 NH2 ARG A 66 5.133 13.392 -6.230 1.00 0.00 N ATOM 0 H ARG A 66 1.267 6.525 -4.489 1.00 0.00 H new ATOM 0 HA ARG A 66 0.177 8.899 -3.943 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.074 7.899 -5.795 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.983 8.887 -6.747 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.359 10.458 -4.474 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.929 9.701 -4.659 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.698 10.388 -7.200 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.455 11.483 -6.628 1.00 0.00 H new ATOM 0 HE ARG A 66 3.493 12.064 -4.885 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.423 11.710 -8.415 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.747 12.851 -8.676 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.206 13.539 -5.223 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.758 13.889 -6.864 1.00 0.00 H new ATOM 1068 N GLY A 67 -1.189 7.883 -6.785 1.00 0.00 N ATOM 1069 CA GLY A 67 -2.376 7.983 -7.618 1.00 0.00 C ATOM 1070 C GLY A 67 -2.991 6.604 -7.864 1.00 0.00 C ATOM 1071 O GLY A 67 -3.378 6.284 -8.987 1.00 0.00 O ATOM 0 H GLY A 67 -0.430 7.334 -7.188 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.109 8.631 -7.137 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.118 8.445 -8.571 1.00 0.00 H new ATOM 1075 N CYS A 68 -3.061 5.823 -6.795 1.00 0.00 N ATOM 1076 CA CYS A 68 -3.622 4.486 -6.881 1.00 0.00 C ATOM 1077 C CYS A 68 -5.146 4.599 -6.812 1.00 0.00 C ATOM 1078 O CYS A 68 -5.691 5.701 -6.812 1.00 0.00 O ATOM 1079 CB CYS A 68 -3.068 3.569 -5.788 1.00 0.00 C ATOM 1080 SG CYS A 68 -3.726 4.071 -4.156 1.00 0.00 S ATOM 0 H CYS A 68 -2.738 6.091 -5.865 1.00 0.00 H new ATOM 0 HA CYS A 68 -3.335 4.029 -7.828 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.341 2.535 -5.997 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -1.979 3.616 -5.780 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.129 5.156 -3.762 1.00 0.00 H new ATOM 1086 N VAL A 69 -5.791 3.443 -6.756 1.00 0.00 N ATOM 1087 CA VAL A 69 -7.242 3.398 -6.687 1.00 0.00 C ATOM 1088 C VAL A 69 -7.668 2.301 -5.709 1.00 0.00 C ATOM 1089 O VAL A 69 -7.003 1.272 -5.596 1.00 0.00 O ATOM 1090 CB VAL A 69 -7.827 3.210 -8.088 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -9.354 3.292 -8.061 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -7.241 4.229 -9.068 1.00 0.00 C ATOM 0 H VAL A 69 -5.336 2.530 -6.757 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.636 4.341 -6.309 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.551 2.214 -8.435 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -9.744 3.155 -9.070 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.749 2.512 -7.410 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.659 4.268 -7.684 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.673 4.074 -10.056 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.472 5.238 -8.725 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.160 4.103 -9.121 1.00 0.00 H new ATOM 1102 N VAL A 70 -8.775 2.557 -5.028 1.00 0.00 N ATOM 1103 CA VAL A 70 -9.298 1.604 -4.064 1.00 0.00 C ATOM 1104 C VAL A 70 -10.639 1.062 -4.564 1.00 0.00 C ATOM 1105 O VAL A 70 -11.449 1.809 -5.111 1.00 0.00 O ATOM 1106 CB VAL A 70 -9.395 2.256 -2.683 1.00 0.00 C ATOM 1107 CG1 VAL A 70 -10.271 1.424 -1.745 1.00 0.00 C ATOM 1108 CG2 VAL A 70 -8.005 2.477 -2.083 1.00 0.00 C ATOM 0 H VAL A 70 -9.324 3.411 -5.125 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.622 0.755 -3.962 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.866 3.231 -2.805 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.323 1.909 -0.770 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -11.274 1.340 -2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.840 0.429 -1.632 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.102 2.942 -1.102 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.496 1.519 -1.982 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.426 3.129 -2.737 1.00 0.00 H new ATOM 1118 N THR A 71 -10.832 -0.232 -4.360 1.00 0.00 N ATOM 1119 CA THR A 71 -12.060 -0.882 -4.783 1.00 0.00 C ATOM 1120 C THR A 71 -12.285 -2.169 -3.986 1.00 0.00 C ATOM 1121 O THR A 71 -11.402 -2.612 -3.254 1.00 0.00 O ATOM 1122 CB THR A 71 -11.978 -1.111 -6.294 1.00 0.00 C ATOM 1123 OG1 THR A 71 -13.332 -1.039 -6.730 1.00 0.00 O ATOM 1124 CG2 THR A 71 -11.547 -2.536 -6.648 1.00 0.00 C ATOM 0 H THR A 71 -10.158 -0.849 -3.907 1.00 0.00 H new ATOM 0 HA THR A 71 -12.928 -0.255 -4.581 1.00 0.00 H new ATOM 0 HB THR A 71 -11.276 -0.401 -6.731 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.371 -1.175 -7.700 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.505 -2.645 -7.732 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.562 -2.734 -6.225 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.267 -3.246 -6.240 1.00 0.00 H new ATOM 1132 N SER A 72 -13.473 -2.731 -4.154 1.00 0.00 N ATOM 1133 CA SER A 72 -13.825 -3.958 -3.459 1.00 0.00 C ATOM 1134 C SER A 72 -13.983 -5.101 -4.463 1.00 0.00 C ATOM 1135 O SER A 72 -14.256 -4.866 -5.640 1.00 0.00 O ATOM 1136 CB SER A 72 -15.111 -3.782 -2.649 1.00 0.00 C ATOM 1137 OG SER A 72 -15.320 -2.425 -2.267 1.00 0.00 O ATOM 0 H SER A 72 -14.204 -2.360 -4.761 1.00 0.00 H new ATOM 0 HA SER A 72 -13.020 -4.201 -2.765 1.00 0.00 H new ATOM 0 HB2 SER A 72 -15.961 -4.128 -3.238 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.066 -4.407 -1.757 1.00 0.00 H new ATOM 0 HG SER A 72 -16.152 -2.354 -1.753 1.00 0.00 H new ATOM 1143 N VAL A 73 -13.804 -6.315 -3.963 1.00 0.00 N ATOM 1144 CA VAL A 73 -13.922 -7.495 -4.801 1.00 0.00 C ATOM 1145 C VAL A 73 -15.401 -7.850 -4.968 1.00 0.00 C ATOM 1146 O VAL A 73 -16.271 -7.172 -4.424 1.00 0.00 O ATOM 1147 CB VAL A 73 -13.095 -8.640 -4.213 1.00 0.00 C ATOM 1148 CG1 VAL A 73 -11.628 -8.235 -4.060 1.00 0.00 C ATOM 1149 CG2 VAL A 73 -13.677 -9.107 -2.877 1.00 0.00 C ATOM 0 H VAL A 73 -13.578 -6.506 -2.987 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.520 -7.299 -5.795 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.140 -9.477 -4.909 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.063 -9.067 -3.640 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.219 -7.974 -5.036 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.556 -7.375 -3.395 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -13.070 -9.921 -2.481 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.677 -8.277 -2.170 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -14.699 -9.456 -3.027 1.00 0.00 H new ATOM 1159 N GLU A 74 -15.640 -8.913 -5.722 1.00 0.00 N ATOM 1160 CA GLU A 74 -16.999 -9.366 -5.968 1.00 0.00 C ATOM 1161 C GLU A 74 -17.283 -10.645 -5.176 1.00 0.00 C ATOM 1162 O GLU A 74 -18.405 -10.861 -4.721 1.00 0.00 O ATOM 1163 CB GLU A 74 -17.244 -9.581 -7.463 1.00 0.00 C ATOM 1164 CG GLU A 74 -16.314 -10.660 -8.021 1.00 0.00 C ATOM 1165 CD GLU A 74 -16.790 -11.137 -9.395 1.00 0.00 C ATOM 1166 OE1 GLU A 74 -18.011 -11.373 -9.521 1.00 0.00 O ATOM 1167 OE2 GLU A 74 -15.923 -11.255 -10.287 1.00 0.00 O ATOM 0 H GLU A 74 -14.916 -9.474 -6.171 1.00 0.00 H new ATOM 0 HA GLU A 74 -17.687 -8.591 -5.629 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -18.282 -9.870 -7.627 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -17.085 -8.646 -8.000 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.301 -10.267 -8.100 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -16.276 -11.504 -7.332 1.00 0.00 H new ATOM 1174 N SER A 75 -16.247 -11.459 -5.036 1.00 0.00 N ATOM 1175 CA SER A 75 -16.371 -12.710 -4.308 1.00 0.00 C ATOM 1176 C SER A 75 -17.702 -13.384 -4.648 1.00 0.00 C ATOM 1177 O SER A 75 -18.705 -13.161 -3.973 1.00 0.00 O ATOM 1178 CB SER A 75 -16.262 -12.481 -2.799 1.00 0.00 C ATOM 1179 OG SER A 75 -16.843 -11.241 -2.403 1.00 0.00 O ATOM 0 H SER A 75 -15.318 -11.276 -5.415 1.00 0.00 H new ATOM 0 HA SER A 75 -15.553 -13.364 -4.609 1.00 0.00 H new ATOM 0 HB2 SER A 75 -16.756 -13.297 -2.272 1.00 0.00 H new ATOM 0 HB3 SER A 75 -15.213 -12.500 -2.504 1.00 0.00 H new ATOM 0 HG SER A 75 -17.734 -11.155 -2.803 1.00 0.00 H new ATOM 1185 N ASN A 76 -17.667 -14.194 -5.696 1.00 0.00 N ATOM 1186 CA ASN A 76 -18.858 -14.902 -6.134 1.00 0.00 C ATOM 1187 C ASN A 76 -19.575 -15.488 -4.916 1.00 0.00 C ATOM 1188 O ASN A 76 -20.676 -15.059 -4.574 1.00 0.00 O ATOM 1189 CB ASN A 76 -18.498 -16.057 -7.071 1.00 0.00 C ATOM 1190 CG ASN A 76 -18.183 -15.544 -8.478 1.00 0.00 C ATOM 1191 OD1 ASN A 76 -18.982 -14.879 -9.117 1.00 0.00 O ATOM 1192 ND2 ASN A 76 -16.979 -15.889 -8.923 1.00 0.00 N ATOM 0 H ASN A 76 -16.833 -14.376 -6.254 1.00 0.00 H new ATOM 0 HA ASN A 76 -19.496 -14.194 -6.662 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -17.637 -16.596 -6.675 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -19.325 -16.766 -7.115 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -16.675 -15.595 -9.851 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -16.359 -16.447 -8.336 1.00 0.00 H new ATOM 1199 N SER A 77 -18.922 -16.459 -4.295 1.00 0.00 N ATOM 1200 CA SER A 77 -19.483 -17.108 -3.122 1.00 0.00 C ATOM 1201 C SER A 77 -19.933 -16.055 -2.107 1.00 0.00 C ATOM 1202 O SER A 77 -19.307 -15.004 -1.979 1.00 0.00 O ATOM 1203 CB SER A 77 -18.473 -18.063 -2.484 1.00 0.00 C ATOM 1204 OG SER A 77 -18.451 -19.330 -3.136 1.00 0.00 O ATOM 0 H SER A 77 -18.009 -16.812 -4.582 1.00 0.00 H new ATOM 0 HA SER A 77 -20.347 -17.694 -3.436 1.00 0.00 H new ATOM 0 HB2 SER A 77 -17.479 -17.618 -2.523 1.00 0.00 H new ATOM 0 HB3 SER A 77 -18.720 -18.201 -1.431 1.00 0.00 H new ATOM 0 HG SER A 77 -17.793 -19.911 -2.700 1.00 0.00 H new ATOM 1210 N ASN A 78 -21.014 -16.375 -1.411 1.00 0.00 N ATOM 1211 CA ASN A 78 -21.555 -15.470 -0.411 1.00 0.00 C ATOM 1212 C ASN A 78 -22.560 -16.224 0.463 1.00 0.00 C ATOM 1213 O ASN A 78 -23.575 -16.710 -0.032 1.00 0.00 O ATOM 1214 CB ASN A 78 -22.286 -14.297 -1.068 1.00 0.00 C ATOM 1215 CG ASN A 78 -22.713 -13.263 -0.023 1.00 0.00 C ATOM 1216 OD1 ASN A 78 -22.595 -13.467 1.174 1.00 0.00 O ATOM 1217 ND2 ASN A 78 -23.215 -12.146 -0.542 1.00 0.00 N ATOM 0 H ASN A 78 -21.530 -17.248 -1.520 1.00 0.00 H new ATOM 0 HA ASN A 78 -20.725 -15.090 0.184 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -21.637 -13.827 -1.806 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -23.163 -14.663 -1.602 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -23.530 -11.395 0.072 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -23.285 -12.041 -1.554 1.00 0.00 H new ATOM 1224 N GLY A 79 -22.240 -16.297 1.747 1.00 0.00 N ATOM 1225 CA GLY A 79 -23.102 -16.983 2.694 1.00 0.00 C ATOM 1226 C GLY A 79 -23.583 -18.321 2.128 1.00 0.00 C ATOM 1227 O GLY A 79 -24.785 -18.558 2.021 1.00 0.00 O ATOM 0 H GLY A 79 -21.396 -15.893 2.153 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -22.563 -17.151 3.626 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -23.961 -16.355 2.931 1.00 0.00 H new ATOM 1231 N ARG A 80 -22.618 -19.161 1.781 1.00 0.00 N ATOM 1232 CA ARG A 80 -22.928 -20.469 1.230 1.00 0.00 C ATOM 1233 C ARG A 80 -21.935 -21.512 1.747 1.00 0.00 C ATOM 1234 O ARG A 80 -22.322 -22.453 2.438 1.00 0.00 O ATOM 1235 CB ARG A 80 -22.882 -20.447 -0.300 1.00 0.00 C ATOM 1236 CG ARG A 80 -24.283 -20.616 -0.892 1.00 0.00 C ATOM 1237 CD ARG A 80 -24.600 -22.094 -1.134 1.00 0.00 C ATOM 1238 NE ARG A 80 -26.060 -22.278 -1.290 1.00 0.00 N ATOM 1239 CZ ARG A 80 -26.641 -23.447 -1.593 1.00 0.00 C ATOM 1240 NH1 ARG A 80 -25.890 -24.542 -1.774 1.00 0.00 N ATOM 1241 NH2 ARG A 80 -27.974 -23.521 -1.715 1.00 0.00 N ATOM 0 H ARG A 80 -21.622 -18.961 1.871 1.00 0.00 H new ATOM 0 HA ARG A 80 -23.936 -20.732 1.549 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -22.450 -19.506 -0.641 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -22.232 -21.245 -0.660 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -25.022 -20.188 -0.215 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -24.354 -20.066 -1.831 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -24.083 -22.444 -2.028 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -24.236 -22.694 -0.300 1.00 0.00 H new ATOM 0 HE ARG A 80 -26.661 -21.465 -1.159 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -24.876 -24.486 -1.681 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -26.333 -25.432 -2.005 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -28.546 -22.688 -1.577 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -28.416 -24.411 -1.946 1.00 0.00 H new ATOM 1255 N LYS A 81 -20.675 -21.309 1.393 1.00 0.00 N ATOM 1256 CA LYS A 81 -19.624 -22.220 1.814 1.00 0.00 C ATOM 1257 C LYS A 81 -18.321 -21.439 1.996 1.00 0.00 C ATOM 1258 O LYS A 81 -18.275 -20.235 1.750 1.00 0.00 O ATOM 1259 CB LYS A 81 -19.507 -23.391 0.836 1.00 0.00 C ATOM 1260 CG LYS A 81 -19.060 -22.909 -0.546 1.00 0.00 C ATOM 1261 CD LYS A 81 -19.110 -24.048 -1.567 1.00 0.00 C ATOM 1262 CE LYS A 81 -20.355 -23.939 -2.449 1.00 0.00 C ATOM 1263 NZ LYS A 81 -19.998 -24.117 -3.874 1.00 0.00 N ATOM 0 H LYS A 81 -20.358 -20.527 0.820 1.00 0.00 H new ATOM 0 HA LYS A 81 -19.868 -22.663 2.779 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -18.793 -24.120 1.219 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -20.468 -23.899 0.755 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -19.702 -22.092 -0.875 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -18.046 -22.513 -0.487 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -18.216 -24.023 -2.189 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -19.110 -25.007 -1.048 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -21.084 -24.693 -2.154 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -20.826 -22.967 -2.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -20.855 -24.040 -4.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -19.319 -23.382 -4.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -19.569 -25.055 -4.010 1.00 0.00 H new ATOM 1277 N SER A 82 -17.293 -22.157 2.426 1.00 0.00 N ATOM 1278 CA SER A 82 -15.993 -21.546 2.644 1.00 0.00 C ATOM 1279 C SER A 82 -15.210 -21.499 1.331 1.00 0.00 C ATOM 1280 O SER A 82 -14.933 -22.536 0.731 1.00 0.00 O ATOM 1281 CB SER A 82 -15.199 -22.307 3.708 1.00 0.00 C ATOM 1282 OG SER A 82 -15.199 -21.629 4.961 1.00 0.00 O ATOM 0 H SER A 82 -17.334 -23.156 2.629 1.00 0.00 H new ATOM 0 HA SER A 82 -16.149 -20.529 3.003 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.624 -23.303 3.835 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.172 -22.440 3.368 1.00 0.00 H new ATOM 0 HG SER A 82 -14.683 -22.147 5.613 1.00 0.00 H new ATOM 1288 N GLU A 83 -14.876 -20.283 0.922 1.00 0.00 N ATOM 1289 CA GLU A 83 -14.130 -20.087 -0.310 1.00 0.00 C ATOM 1290 C GLU A 83 -13.191 -18.886 -0.176 1.00 0.00 C ATOM 1291 O GLU A 83 -11.972 -19.038 -0.238 1.00 0.00 O ATOM 1292 CB GLU A 83 -15.075 -19.913 -1.501 1.00 0.00 C ATOM 1293 CG GLU A 83 -14.321 -20.057 -2.824 1.00 0.00 C ATOM 1294 CD GLU A 83 -14.278 -21.518 -3.276 1.00 0.00 C ATOM 1295 OE1 GLU A 83 -13.435 -22.258 -2.724 1.00 0.00 O ATOM 1296 OE2 GLU A 83 -15.089 -21.862 -4.162 1.00 0.00 O ATOM 0 H GLU A 83 -15.108 -19.425 1.422 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.527 -20.977 -0.493 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.871 -20.655 -1.449 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.549 -18.933 -1.453 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.804 -19.450 -3.590 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.305 -19.678 -2.711 1.00 0.00 H new ATOM 1303 N GLU A 84 -13.794 -17.721 0.006 1.00 0.00 N ATOM 1304 CA GLU A 84 -13.027 -16.495 0.149 1.00 0.00 C ATOM 1305 C GLU A 84 -13.708 -15.557 1.147 1.00 0.00 C ATOM 1306 O GLU A 84 -14.898 -15.271 1.024 1.00 0.00 O ATOM 1307 CB GLU A 84 -12.832 -15.809 -1.204 1.00 0.00 C ATOM 1308 CG GLU A 84 -11.806 -16.558 -2.057 1.00 0.00 C ATOM 1309 CD GLU A 84 -11.887 -16.123 -3.521 1.00 0.00 C ATOM 1310 OE1 GLU A 84 -12.980 -16.293 -4.104 1.00 0.00 O ATOM 1311 OE2 GLU A 84 -10.855 -15.629 -4.024 1.00 0.00 O ATOM 0 H GLU A 84 -14.805 -17.600 0.058 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.040 -16.750 0.535 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.784 -15.762 -1.732 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.502 -14.782 -1.050 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.803 -16.371 -1.673 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.980 -17.631 -1.983 1.00 0.00 H new ATOM 1318 N GLU A 85 -12.923 -15.102 2.113 1.00 0.00 N ATOM 1319 CA GLU A 85 -13.435 -14.202 3.132 1.00 0.00 C ATOM 1320 C GLU A 85 -13.597 -12.791 2.561 1.00 0.00 C ATOM 1321 O GLU A 85 -13.920 -12.627 1.386 1.00 0.00 O ATOM 1322 CB GLU A 85 -12.527 -14.194 4.364 1.00 0.00 C ATOM 1323 CG GLU A 85 -12.089 -15.613 4.731 1.00 0.00 C ATOM 1324 CD GLU A 85 -11.685 -15.698 6.204 1.00 0.00 C ATOM 1325 OE1 GLU A 85 -10.526 -15.334 6.497 1.00 0.00 O ATOM 1326 OE2 GLU A 85 -12.545 -16.124 7.005 1.00 0.00 O ATOM 0 H GLU A 85 -11.936 -15.340 2.211 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.415 -14.561 3.446 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.649 -13.578 4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -13.053 -13.743 5.205 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -12.902 -16.311 4.532 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.251 -15.913 4.102 1.00 0.00 H new ATOM 1333 N ASN A 86 -13.364 -11.809 3.420 1.00 0.00 N ATOM 1334 CA ASN A 86 -13.480 -10.419 3.015 1.00 0.00 C ATOM 1335 C ASN A 86 -12.172 -9.972 2.360 1.00 0.00 C ATOM 1336 O ASN A 86 -11.119 -9.979 2.997 1.00 0.00 O ATOM 1337 CB ASN A 86 -13.737 -9.514 4.222 1.00 0.00 C ATOM 1338 CG ASN A 86 -14.848 -10.082 5.107 1.00 0.00 C ATOM 1339 OD1 ASN A 86 -15.944 -10.377 4.659 1.00 0.00 O ATOM 1340 ND2 ASN A 86 -14.506 -10.218 6.385 1.00 0.00 N ATOM 0 H ASN A 86 -13.096 -11.949 4.394 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.315 -10.339 2.319 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -12.821 -9.409 4.804 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -14.013 -8.516 3.881 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -15.179 -10.589 7.056 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -13.571 -9.952 6.694 1.00 0.00 H new ATOM 1347 N LEU A 87 -12.280 -9.594 1.094 1.00 0.00 N ATOM 1348 CA LEU A 87 -11.119 -9.145 0.345 1.00 0.00 C ATOM 1349 C LEU A 87 -11.455 -7.836 -0.373 1.00 0.00 C ATOM 1350 O LEU A 87 -12.579 -7.346 -0.283 1.00 0.00 O ATOM 1351 CB LEU A 87 -10.624 -10.250 -0.590 1.00 0.00 C ATOM 1352 CG LEU A 87 -11.476 -11.520 -0.637 1.00 0.00 C ATOM 1353 CD1 LEU A 87 -11.523 -12.097 -2.053 1.00 0.00 C ATOM 1354 CD2 LEU A 87 -10.984 -12.548 0.385 1.00 0.00 C ATOM 0 H LEU A 87 -13.154 -9.590 0.568 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.289 -8.935 1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.558 -9.843 -1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.613 -10.526 -0.291 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.498 -11.256 -0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.135 -12.999 -2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.955 -11.361 -2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.512 -12.342 -2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -11.606 -13.441 0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.950 -12.813 0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.045 -12.123 1.387 1.00 0.00 H new ATOM 1366 N PHE A 88 -10.459 -7.308 -1.069 1.00 0.00 N ATOM 1367 CA PHE A 88 -10.635 -6.066 -1.802 1.00 0.00 C ATOM 1368 C PHE A 88 -9.510 -5.866 -2.820 1.00 0.00 C ATOM 1369 O PHE A 88 -8.392 -6.334 -2.614 1.00 0.00 O ATOM 1370 CB PHE A 88 -10.588 -4.931 -0.777 1.00 0.00 C ATOM 1371 CG PHE A 88 -9.312 -4.909 0.067 1.00 0.00 C ATOM 1372 CD1 PHE A 88 -8.116 -4.629 -0.515 1.00 0.00 C ATOM 1373 CD2 PHE A 88 -9.375 -5.168 1.401 1.00 0.00 C ATOM 1374 CE1 PHE A 88 -6.932 -4.608 0.268 1.00 0.00 C ATOM 1375 CE2 PHE A 88 -8.191 -5.147 2.185 1.00 0.00 C ATOM 1376 CZ PHE A 88 -6.994 -4.868 1.602 1.00 0.00 C ATOM 0 H PHE A 88 -9.528 -7.718 -1.141 1.00 0.00 H new ATOM 0 HA PHE A 88 -11.580 -6.085 -2.345 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.683 -3.979 -1.299 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.449 -5.018 -0.114 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.066 -4.422 -1.574 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.325 -5.390 1.864 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -5.982 -4.386 -0.195 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.241 -5.353 3.244 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.093 -4.853 2.198 1.00 0.00 H new ATOM 1386 N GLU A 89 -9.846 -5.169 -3.895 1.00 0.00 N ATOM 1387 CA GLU A 89 -8.878 -4.900 -4.945 1.00 0.00 C ATOM 1388 C GLU A 89 -8.349 -3.470 -4.827 1.00 0.00 C ATOM 1389 O GLU A 89 -9.096 -2.554 -4.485 1.00 0.00 O ATOM 1390 CB GLU A 89 -9.486 -5.148 -6.328 1.00 0.00 C ATOM 1391 CG GLU A 89 -8.533 -4.692 -7.435 1.00 0.00 C ATOM 1392 CD GLU A 89 -9.210 -4.768 -8.805 1.00 0.00 C ATOM 1393 OE1 GLU A 89 -9.175 -5.870 -9.394 1.00 0.00 O ATOM 1394 OE2 GLU A 89 -9.745 -3.723 -9.233 1.00 0.00 O ATOM 0 H GLU A 89 -10.775 -4.782 -4.062 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.040 -5.587 -4.824 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.707 -6.209 -6.447 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.432 -4.614 -6.415 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.208 -3.670 -7.242 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.640 -5.317 -7.431 1.00 0.00 H new ATOM 1401 N ILE A 90 -7.065 -3.322 -5.116 1.00 0.00 N ATOM 1402 CA ILE A 90 -6.427 -2.018 -5.046 1.00 0.00 C ATOM 1403 C ILE A 90 -5.555 -1.814 -6.287 1.00 0.00 C ATOM 1404 O ILE A 90 -4.500 -2.433 -6.416 1.00 0.00 O ATOM 1405 CB ILE A 90 -5.666 -1.864 -3.728 1.00 0.00 C ATOM 1406 CG1 ILE A 90 -6.607 -2.014 -2.531 1.00 0.00 C ATOM 1407 CG2 ILE A 90 -4.897 -0.541 -3.690 1.00 0.00 C ATOM 1408 CD1 ILE A 90 -5.846 -1.864 -1.212 1.00 0.00 C ATOM 0 H ILE A 90 -6.449 -4.084 -5.399 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.177 -1.227 -5.049 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.931 -2.666 -3.662 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.395 -1.263 -2.587 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.093 -2.989 -2.566 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.365 -0.457 -2.742 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.182 -0.512 -4.512 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.596 0.289 -3.789 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.539 -1.975 -0.378 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.075 -2.631 -1.148 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.382 -0.879 -1.170 1.00 0.00 H new ATOM 1420 N ILE A 91 -6.029 -0.945 -7.167 1.00 0.00 N ATOM 1421 CA ILE A 91 -5.305 -0.652 -8.393 1.00 0.00 C ATOM 1422 C ILE A 91 -4.293 0.464 -8.129 1.00 0.00 C ATOM 1423 O ILE A 91 -4.566 1.385 -7.360 1.00 0.00 O ATOM 1424 CB ILE A 91 -6.281 -0.341 -9.530 1.00 0.00 C ATOM 1425 CG1 ILE A 91 -7.425 -1.356 -9.564 1.00 0.00 C ATOM 1426 CG2 ILE A 91 -5.551 -0.254 -10.871 1.00 0.00 C ATOM 1427 CD1 ILE A 91 -8.781 -0.652 -9.649 1.00 0.00 C ATOM 0 H ILE A 91 -6.905 -0.434 -7.056 1.00 0.00 H new ATOM 0 HA ILE A 91 -4.739 -1.525 -8.719 1.00 0.00 H new ATOM 0 HB ILE A 91 -6.724 0.637 -9.341 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.302 -2.020 -10.420 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -7.390 -1.979 -8.670 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.268 -0.032 -11.662 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.803 0.537 -10.827 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.062 -1.205 -11.081 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -9.577 -1.397 -9.672 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -8.912 -0.008 -8.780 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.822 -0.049 -10.556 1.00 0.00 H new ATOM 1439 N THR A 92 -3.145 0.344 -8.780 1.00 0.00 N ATOM 1440 CA THR A 92 -2.091 1.332 -8.624 1.00 0.00 C ATOM 1441 C THR A 92 -1.962 2.179 -9.892 1.00 0.00 C ATOM 1442 O THR A 92 -2.623 1.908 -10.893 1.00 0.00 O ATOM 1443 CB THR A 92 -0.803 0.594 -8.254 1.00 0.00 C ATOM 1444 OG1 THR A 92 -0.607 -0.323 -9.327 1.00 0.00 O ATOM 1445 CG2 THR A 92 -0.973 -0.302 -7.025 1.00 0.00 C ATOM 0 H THR A 92 -2.922 -0.422 -9.416 1.00 0.00 H new ATOM 0 HA THR A 92 -2.323 2.034 -7.823 1.00 0.00 H new ATOM 0 HB THR A 92 -0.011 1.319 -8.068 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.353 -0.471 -9.460 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.030 -0.802 -6.806 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.269 0.306 -6.170 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.742 -1.049 -7.223 1.00 0.00 H new ATOM 1453 N ALA A 93 -1.108 3.188 -9.806 1.00 0.00 N ATOM 1454 CA ALA A 93 -0.885 4.077 -10.934 1.00 0.00 C ATOM 1455 C ALA A 93 -0.380 3.263 -12.127 1.00 0.00 C ATOM 1456 O ALA A 93 -0.440 3.722 -13.267 1.00 0.00 O ATOM 1457 CB ALA A 93 0.092 5.183 -10.527 1.00 0.00 C ATOM 0 H ALA A 93 -0.562 3.410 -8.973 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.816 4.558 -11.234 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.259 5.850 -11.373 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.326 5.750 -9.695 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.039 4.738 -10.223 1.00 0.00 H new ATOM 1463 N ASP A 94 0.107 2.069 -11.824 1.00 0.00 N ATOM 1464 CA ASP A 94 0.622 1.186 -12.858 1.00 0.00 C ATOM 1465 C ASP A 94 -0.494 0.250 -13.326 1.00 0.00 C ATOM 1466 O ASP A 94 -0.293 -0.554 -14.235 1.00 0.00 O ATOM 1467 CB ASP A 94 1.770 0.326 -12.325 1.00 0.00 C ATOM 1468 CG ASP A 94 2.570 -0.418 -13.396 1.00 0.00 C ATOM 1469 OD1 ASP A 94 3.479 0.220 -13.970 1.00 0.00 O ATOM 1470 OD2 ASP A 94 2.256 -1.608 -13.615 1.00 0.00 O ATOM 0 H ASP A 94 0.156 1.692 -10.878 1.00 0.00 H new ATOM 0 HA ASP A 94 0.985 1.804 -13.679 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.451 0.964 -11.762 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.363 -0.403 -11.624 1.00 0.00 H new ATOM 1475 N GLU A 95 -1.644 0.386 -12.684 1.00 0.00 N ATOM 1476 CA GLU A 95 -2.792 -0.438 -13.023 1.00 0.00 C ATOM 1477 C GLU A 95 -2.670 -1.815 -12.366 1.00 0.00 C ATOM 1478 O GLU A 95 -3.505 -2.690 -12.591 1.00 0.00 O ATOM 1479 CB GLU A 95 -2.946 -0.566 -14.540 1.00 0.00 C ATOM 1480 CG GLU A 95 -2.608 0.753 -15.238 1.00 0.00 C ATOM 1481 CD GLU A 95 -3.387 0.895 -16.547 1.00 0.00 C ATOM 1482 OE1 GLU A 95 -3.479 -0.123 -17.267 1.00 0.00 O ATOM 1483 OE2 GLU A 95 -3.873 2.019 -16.799 1.00 0.00 O ATOM 0 H GLU A 95 -1.806 1.054 -11.931 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.689 0.048 -12.639 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.292 -1.356 -14.910 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.968 -0.858 -14.782 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.843 1.588 -14.578 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.538 0.798 -15.441 1.00 0.00 H new ATOM 1490 N VAL A 96 -1.624 -1.964 -11.568 1.00 0.00 N ATOM 1491 CA VAL A 96 -1.382 -3.219 -10.877 1.00 0.00 C ATOM 1492 C VAL A 96 -2.520 -3.479 -9.888 1.00 0.00 C ATOM 1493 O VAL A 96 -2.891 -2.596 -9.116 1.00 0.00 O ATOM 1494 CB VAL A 96 -0.005 -3.192 -10.210 1.00 0.00 C ATOM 1495 CG1 VAL A 96 0.319 -4.542 -9.567 1.00 0.00 C ATOM 1496 CG2 VAL A 96 1.080 -2.786 -11.209 1.00 0.00 C ATOM 0 H VAL A 96 -0.934 -1.236 -11.384 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.370 -4.048 -11.584 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.030 -2.442 -9.420 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.303 -4.496 -9.100 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.431 -4.774 -8.811 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.316 -5.319 -10.331 1.00 0.00 H new ATOM 0 HG21 VAL A 96 2.049 -2.775 -10.709 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.104 -3.502 -12.031 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.862 -1.792 -11.600 1.00 0.00 H new ATOM 1506 N HIS A 97 -3.043 -4.695 -9.944 1.00 0.00 N ATOM 1507 CA HIS A 97 -4.131 -5.083 -9.063 1.00 0.00 C ATOM 1508 C HIS A 97 -3.594 -5.984 -7.950 1.00 0.00 C ATOM 1509 O HIS A 97 -2.676 -6.772 -8.172 1.00 0.00 O ATOM 1510 CB HIS A 97 -5.267 -5.734 -9.856 1.00 0.00 C ATOM 1511 CG HIS A 97 -5.676 -4.962 -11.088 1.00 0.00 C ATOM 1512 ND1 HIS A 97 -6.908 -4.345 -11.211 1.00 0.00 N ATOM 1513 CD2 HIS A 97 -5.003 -4.714 -12.249 1.00 0.00 C ATOM 1514 CE1 HIS A 97 -6.965 -3.756 -12.396 1.00 0.00 C ATOM 1515 NE2 HIS A 97 -5.783 -3.986 -13.038 1.00 0.00 N ATOM 0 H HIS A 97 -2.733 -5.425 -10.586 1.00 0.00 H new ATOM 0 HA HIS A 97 -4.556 -4.196 -8.592 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -4.961 -6.737 -10.153 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -6.134 -5.845 -9.205 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -4.005 -5.053 -12.485 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -7.800 -3.193 -12.786 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -5.539 -3.653 -13.971 1.00 0.00 H new ATOM 1523 N TYR A 98 -4.189 -5.838 -6.775 1.00 0.00 N ATOM 1524 CA TYR A 98 -3.782 -6.628 -5.626 1.00 0.00 C ATOM 1525 C TYR A 98 -4.999 -7.134 -4.849 1.00 0.00 C ATOM 1526 O TYR A 98 -5.982 -6.412 -4.688 1.00 0.00 O ATOM 1527 CB TYR A 98 -2.976 -5.686 -4.730 1.00 0.00 C ATOM 1528 CG TYR A 98 -1.565 -5.393 -5.244 1.00 0.00 C ATOM 1529 CD1 TYR A 98 -0.542 -6.286 -4.998 1.00 0.00 C ATOM 1530 CD2 TYR A 98 -1.316 -4.237 -5.954 1.00 0.00 C ATOM 1531 CE1 TYR A 98 0.786 -6.011 -5.482 1.00 0.00 C ATOM 1532 CE2 TYR A 98 0.012 -3.962 -6.438 1.00 0.00 C ATOM 1533 CZ TYR A 98 0.998 -4.862 -6.179 1.00 0.00 C ATOM 1534 OH TYR A 98 2.252 -4.602 -6.636 1.00 0.00 O ATOM 0 H TYR A 98 -4.950 -5.184 -6.594 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.206 -7.498 -5.943 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.517 -4.745 -4.629 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.905 -6.121 -3.733 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.737 -7.191 -4.442 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -2.117 -3.538 -6.147 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.595 -6.701 -5.296 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.220 -3.060 -6.995 1.00 0.00 H new ATOM 0 HH TYR A 98 2.254 -3.748 -7.117 1.00 0.00 H new ATOM 1544 N PHE A 99 -4.895 -8.372 -4.389 1.00 0.00 N ATOM 1545 CA PHE A 99 -5.975 -8.983 -3.633 1.00 0.00 C ATOM 1546 C PHE A 99 -5.531 -9.306 -2.205 1.00 0.00 C ATOM 1547 O PHE A 99 -4.742 -10.225 -1.989 1.00 0.00 O ATOM 1548 CB PHE A 99 -6.340 -10.286 -4.347 1.00 0.00 C ATOM 1549 CG PHE A 99 -6.896 -10.087 -5.758 1.00 0.00 C ATOM 1550 CD1 PHE A 99 -8.131 -9.544 -5.932 1.00 0.00 C ATOM 1551 CD2 PHE A 99 -6.157 -10.453 -6.839 1.00 0.00 C ATOM 1552 CE1 PHE A 99 -8.648 -9.359 -7.242 1.00 0.00 C ATOM 1553 CE2 PHE A 99 -6.673 -10.269 -8.149 1.00 0.00 C ATOM 1554 CZ PHE A 99 -7.908 -9.726 -8.322 1.00 0.00 C ATOM 0 H PHE A 99 -4.079 -8.969 -4.525 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.822 -8.299 -3.576 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.454 -10.919 -4.402 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -7.077 -10.822 -3.749 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -8.719 -9.253 -5.074 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -5.176 -10.884 -6.701 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -9.628 -8.927 -7.380 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.085 -10.560 -9.007 1.00 0.00 H new ATOM 0 HZ PHE A 99 -8.301 -9.586 -9.318 1.00 0.00 H new ATOM 1564 N LEU A 100 -6.056 -8.532 -1.266 1.00 0.00 N ATOM 1565 CA LEU A 100 -5.724 -8.724 0.135 1.00 0.00 C ATOM 1566 C LEU A 100 -6.989 -9.099 0.908 1.00 0.00 C ATOM 1567 O LEU A 100 -8.002 -8.406 0.823 1.00 0.00 O ATOM 1568 CB LEU A 100 -5.008 -7.490 0.689 1.00 0.00 C ATOM 1569 CG LEU A 100 -3.913 -6.894 -0.198 1.00 0.00 C ATOM 1570 CD1 LEU A 100 -2.869 -7.951 -0.565 1.00 0.00 C ATOM 1571 CD2 LEU A 100 -4.514 -6.228 -1.438 1.00 0.00 C ATOM 0 H LEU A 100 -6.709 -7.770 -1.449 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.023 -9.551 0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.753 -6.718 0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.566 -7.752 1.650 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.400 -6.117 0.368 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.102 -7.501 -1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.409 -8.339 0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.351 -8.766 -1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.715 -5.812 -2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.068 -6.968 -2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -5.188 -5.429 -1.131 1.00 0.00 H new ATOM 1583 N GLN A 101 -6.890 -10.196 1.645 1.00 0.00 N ATOM 1584 CA GLN A 101 -8.014 -10.672 2.433 1.00 0.00 C ATOM 1585 C GLN A 101 -7.933 -10.125 3.859 1.00 0.00 C ATOM 1586 O GLN A 101 -6.921 -10.299 4.537 1.00 0.00 O ATOM 1587 CB GLN A 101 -8.074 -12.201 2.434 1.00 0.00 C ATOM 1588 CG GLN A 101 -9.269 -12.702 3.249 1.00 0.00 C ATOM 1589 CD GLN A 101 -8.952 -14.040 3.920 1.00 0.00 C ATOM 1590 OE1 GLN A 101 -8.709 -14.124 5.112 1.00 0.00 O ATOM 1591 NE2 GLN A 101 -8.968 -15.079 3.089 1.00 0.00 N ATOM 0 H GLN A 101 -6.049 -10.769 1.713 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.934 -10.305 1.977 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.149 -12.566 1.410 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.151 -12.605 2.850 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.532 -11.964 4.007 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -10.136 -12.814 2.598 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -9.179 -14.939 2.101 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -8.769 -16.016 3.440 1.00 0.00 H new ATOM 1600 N ALA A 102 -9.011 -9.475 4.272 1.00 0.00 N ATOM 1601 CA ALA A 102 -9.074 -8.902 5.606 1.00 0.00 C ATOM 1602 C ALA A 102 -9.632 -9.943 6.578 1.00 0.00 C ATOM 1603 O ALA A 102 -10.554 -10.684 6.238 1.00 0.00 O ATOM 1604 CB ALA A 102 -9.915 -7.624 5.573 1.00 0.00 C ATOM 0 H ALA A 102 -9.848 -9.332 3.706 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.078 -8.628 5.954 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.963 -7.194 6.573 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.460 -6.906 4.891 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.923 -7.860 5.231 1.00 0.00 H new ATOM 1610 N ALA A 103 -9.051 -9.965 7.768 1.00 0.00 N ATOM 1611 CA ALA A 103 -9.479 -10.903 8.792 1.00 0.00 C ATOM 1612 C ALA A 103 -10.941 -10.629 9.150 1.00 0.00 C ATOM 1613 O ALA A 103 -11.807 -11.475 8.931 1.00 0.00 O ATOM 1614 CB ALA A 103 -8.552 -10.794 10.005 1.00 0.00 C ATOM 0 H ALA A 103 -8.288 -9.349 8.046 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.416 -11.927 8.424 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.873 -11.498 10.773 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.530 -11.027 9.704 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.591 -9.780 10.403 1.00 0.00 H new ATOM 1620 N THR A 104 -11.172 -9.443 9.694 1.00 0.00 N ATOM 1621 CA THR A 104 -12.514 -9.047 10.084 1.00 0.00 C ATOM 1622 C THR A 104 -13.193 -8.276 8.950 1.00 0.00 C ATOM 1623 O THR A 104 -12.532 -7.838 8.009 1.00 0.00 O ATOM 1624 CB THR A 104 -12.412 -8.249 11.386 1.00 0.00 C ATOM 1625 OG1 THR A 104 -11.171 -7.559 11.274 1.00 0.00 O ATOM 1626 CG2 THR A 104 -12.230 -9.148 12.610 1.00 0.00 C ATOM 0 H THR A 104 -10.452 -8.743 9.874 1.00 0.00 H new ATOM 0 HA THR A 104 -13.146 -9.916 10.267 1.00 0.00 H new ATOM 0 HB THR A 104 -13.309 -7.642 11.511 1.00 0.00 H new ATOM 0 HG1 THR A 104 -11.026 -7.015 12.076 1.00 0.00 H new ATOM 0 HG21 THR A 104 -12.163 -8.532 13.507 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.082 -9.823 12.696 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.315 -9.731 12.501 1.00 0.00 H new ATOM 1634 N PRO A 105 -14.539 -8.128 9.081 1.00 0.00 N ATOM 1635 CA PRO A 105 -15.314 -7.417 8.079 1.00 0.00 C ATOM 1636 C PRO A 105 -15.103 -5.906 8.192 1.00 0.00 C ATOM 1637 O PRO A 105 -15.418 -5.161 7.266 1.00 0.00 O ATOM 1638 CB PRO A 105 -16.755 -7.836 8.326 1.00 0.00 C ATOM 1639 CG PRO A 105 -16.789 -8.396 9.739 1.00 0.00 C ATOM 1640 CD PRO A 105 -15.354 -8.633 10.182 1.00 0.00 C ATOM 0 HA PRO A 105 -15.011 -7.662 7.061 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -17.431 -6.987 8.226 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -17.074 -8.585 7.601 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -17.287 -7.699 10.414 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -17.356 -9.327 9.767 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -15.134 -8.107 11.111 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -15.165 -9.691 10.362 1.00 0.00 H new ATOM 1648 N LYS A 106 -14.572 -5.500 9.335 1.00 0.00 N ATOM 1649 CA LYS A 106 -14.315 -4.091 9.582 1.00 0.00 C ATOM 1650 C LYS A 106 -12.986 -3.698 8.932 1.00 0.00 C ATOM 1651 O LYS A 106 -12.873 -2.623 8.344 1.00 0.00 O ATOM 1652 CB LYS A 106 -14.379 -3.789 11.081 1.00 0.00 C ATOM 1653 CG LYS A 106 -14.502 -2.284 11.332 1.00 0.00 C ATOM 1654 CD LYS A 106 -13.937 -1.910 12.703 1.00 0.00 C ATOM 1655 CE LYS A 106 -14.527 -0.588 13.197 1.00 0.00 C ATOM 1656 NZ LYS A 106 -13.799 -0.109 14.394 1.00 0.00 N ATOM 0 H LYS A 106 -14.312 -6.122 10.101 1.00 0.00 H new ATOM 0 HA LYS A 106 -15.090 -3.476 9.123 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -15.230 -4.306 11.524 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.484 -4.171 11.571 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -13.970 -1.737 10.554 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -15.549 -1.986 11.272 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -14.158 -2.701 13.419 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.852 -1.828 12.643 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -14.470 0.160 12.406 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -15.582 -0.721 13.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -14.213 0.789 14.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -13.875 -0.816 15.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.797 0.037 14.156 1.00 0.00 H new ATOM 1670 N GLU A 107 -12.015 -4.589 9.060 1.00 0.00 N ATOM 1671 CA GLU A 107 -10.699 -4.349 8.492 1.00 0.00 C ATOM 1672 C GLU A 107 -10.802 -4.157 6.978 1.00 0.00 C ATOM 1673 O GLU A 107 -10.182 -3.252 6.420 1.00 0.00 O ATOM 1674 CB GLU A 107 -9.737 -5.488 8.836 1.00 0.00 C ATOM 1675 CG GLU A 107 -8.349 -5.230 8.247 1.00 0.00 C ATOM 1676 CD GLU A 107 -7.282 -5.211 9.344 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -7.449 -5.985 10.311 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -6.325 -4.422 9.190 1.00 0.00 O ATOM 0 H GLU A 107 -12.113 -5.479 9.549 1.00 0.00 H new ATOM 0 HA GLU A 107 -10.298 -3.434 8.928 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -9.663 -5.592 9.919 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.130 -6.429 8.452 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.111 -6.003 7.516 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.347 -4.278 7.716 1.00 0.00 H new ATOM 1685 N ARG A 108 -11.589 -5.022 6.355 1.00 0.00 N ATOM 1686 CA ARG A 108 -11.780 -4.958 4.916 1.00 0.00 C ATOM 1687 C ARG A 108 -12.121 -3.529 4.489 1.00 0.00 C ATOM 1688 O ARG A 108 -11.542 -3.008 3.537 1.00 0.00 O ATOM 1689 CB ARG A 108 -12.901 -5.898 4.468 1.00 0.00 C ATOM 1690 CG ARG A 108 -13.158 -5.767 2.965 1.00 0.00 C ATOM 1691 CD ARG A 108 -13.990 -4.520 2.658 1.00 0.00 C ATOM 1692 NE ARG A 108 -15.198 -4.895 1.889 1.00 0.00 N ATOM 1693 CZ ARG A 108 -16.326 -5.361 2.442 1.00 0.00 C ATOM 1694 NH1 ARG A 108 -16.407 -5.513 3.771 1.00 0.00 N ATOM 1695 NH2 ARG A 108 -17.372 -5.675 1.667 1.00 0.00 N ATOM 0 H ARG A 108 -12.102 -5.771 6.820 1.00 0.00 H new ATOM 0 HA ARG A 108 -10.849 -5.269 4.443 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -12.634 -6.928 4.707 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -13.814 -5.669 5.018 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -12.208 -5.715 2.433 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -13.678 -6.654 2.603 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -14.278 -4.027 3.587 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -13.394 -3.806 2.090 1.00 0.00 H new ATOM 0 HE ARG A 108 -15.170 -4.792 0.875 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -15.610 -5.274 4.361 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -17.266 -5.868 4.192 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -17.310 -5.559 0.655 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -18.231 -6.030 2.088 1.00 0.00 H new ATOM 1709 N THR A 109 -13.059 -2.937 5.213 1.00 0.00 N ATOM 1710 CA THR A 109 -13.483 -1.578 4.920 1.00 0.00 C ATOM 1711 C THR A 109 -12.430 -0.576 5.396 1.00 0.00 C ATOM 1712 O THR A 109 -12.005 0.292 4.634 1.00 0.00 O ATOM 1713 CB THR A 109 -14.857 -1.364 5.559 1.00 0.00 C ATOM 1714 OG1 THR A 109 -15.777 -1.745 4.540 1.00 0.00 O ATOM 1715 CG2 THR A 109 -15.164 0.114 5.806 1.00 0.00 C ATOM 0 H THR A 109 -13.537 -3.373 6.001 1.00 0.00 H new ATOM 0 HA THR A 109 -13.578 -1.416 3.846 1.00 0.00 H new ATOM 0 HB THR A 109 -14.907 -1.907 6.503 1.00 0.00 H new ATOM 0 HG1 THR A 109 -16.694 -1.639 4.870 1.00 0.00 H new ATOM 0 HG21 THR A 109 -16.150 0.210 6.260 1.00 0.00 H new ATOM 0 HG22 THR A 109 -14.414 0.535 6.475 1.00 0.00 H new ATOM 0 HG23 THR A 109 -15.147 0.652 4.858 1.00 0.00 H new ATOM 1723 N GLU A 110 -12.037 -0.730 6.652 1.00 0.00 N ATOM 1724 CA GLU A 110 -11.041 0.151 7.238 1.00 0.00 C ATOM 1725 C GLU A 110 -9.829 0.271 6.312 1.00 0.00 C ATOM 1726 O GLU A 110 -9.431 1.375 5.944 1.00 0.00 O ATOM 1727 CB GLU A 110 -10.625 -0.339 8.626 1.00 0.00 C ATOM 1728 CG GLU A 110 -11.730 -0.082 9.652 1.00 0.00 C ATOM 1729 CD GLU A 110 -11.165 0.575 10.914 1.00 0.00 C ATOM 1730 OE1 GLU A 110 -10.415 -0.123 11.629 1.00 0.00 O ATOM 1731 OE2 GLU A 110 -11.497 1.760 11.134 1.00 0.00 O ATOM 0 H GLU A 110 -12.390 -1.452 7.280 1.00 0.00 H new ATOM 0 HA GLU A 110 -11.483 1.140 7.356 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -10.401 -1.405 8.587 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -9.711 0.168 8.936 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -12.495 0.560 9.215 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -12.215 -1.023 9.913 1.00 0.00 H new ATOM 1738 N TRP A 111 -9.274 -0.881 5.963 1.00 0.00 N ATOM 1739 CA TRP A 111 -8.115 -0.919 5.088 1.00 0.00 C ATOM 1740 C TRP A 111 -8.354 0.069 3.945 1.00 0.00 C ATOM 1741 O TRP A 111 -7.602 1.029 3.782 1.00 0.00 O ATOM 1742 CB TRP A 111 -7.843 -2.343 4.600 1.00 0.00 C ATOM 1743 CG TRP A 111 -6.608 -2.991 5.230 1.00 0.00 C ATOM 1744 CD1 TRP A 111 -6.517 -4.190 5.821 1.00 0.00 C ATOM 1745 CD2 TRP A 111 -5.284 -2.423 5.307 1.00 0.00 C ATOM 1746 NE1 TRP A 111 -5.236 -4.435 6.272 1.00 0.00 N ATOM 1747 CE2 TRP A 111 -4.462 -3.327 5.949 1.00 0.00 C ATOM 1748 CE3 TRP A 111 -4.796 -1.187 4.849 1.00 0.00 C ATOM 1749 CZ2 TRP A 111 -3.104 -3.090 6.192 1.00 0.00 C ATOM 1750 CZ3 TRP A 111 -3.437 -0.965 5.099 1.00 0.00 C ATOM 1751 CH2 TRP A 111 -2.596 -1.864 5.745 1.00 0.00 C ATOM 0 H TRP A 111 -9.606 -1.795 6.271 1.00 0.00 H new ATOM 0 HA TRP A 111 -7.215 -0.619 5.626 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -8.714 -2.962 4.813 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -7.720 -2.328 3.517 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -7.342 -4.878 5.931 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -4.916 -5.275 6.754 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -5.421 -0.465 4.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -2.482 -3.814 6.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -3.012 -0.030 4.767 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -1.556 -1.618 5.901 1.00 0.00 H new ATOM 1762 N ILE A 112 -9.403 -0.199 3.182 1.00 0.00 N ATOM 1763 CA ILE A 112 -9.750 0.654 2.059 1.00 0.00 C ATOM 1764 C ILE A 112 -9.583 2.119 2.466 1.00 0.00 C ATOM 1765 O ILE A 112 -8.725 2.822 1.932 1.00 0.00 O ATOM 1766 CB ILE A 112 -11.150 0.316 1.541 1.00 0.00 C ATOM 1767 CG1 ILE A 112 -11.092 -0.795 0.490 1.00 0.00 C ATOM 1768 CG2 ILE A 112 -11.857 1.567 1.015 1.00 0.00 C ATOM 1769 CD1 ILE A 112 -12.161 -1.856 0.756 1.00 0.00 C ATOM 0 H ILE A 112 -10.025 -0.996 3.320 1.00 0.00 H new ATOM 0 HA ILE A 112 -9.074 0.476 1.223 1.00 0.00 H new ATOM 0 HB ILE A 112 -11.742 -0.061 2.375 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -11.236 -0.369 -0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -10.105 -1.258 0.498 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -12.850 1.299 0.653 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -11.949 2.298 1.818 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -11.277 1.997 0.198 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -12.099 -2.634 -0.005 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -11.999 -2.297 1.740 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -13.148 -1.394 0.723 1.00 0.00 H new ATOM 1781 N LYS A 113 -10.415 2.537 3.408 1.00 0.00 N ATOM 1782 CA LYS A 113 -10.370 3.906 3.893 1.00 0.00 C ATOM 1783 C LYS A 113 -8.942 4.242 4.327 1.00 0.00 C ATOM 1784 O LYS A 113 -8.514 5.392 4.233 1.00 0.00 O ATOM 1785 CB LYS A 113 -11.413 4.120 4.992 1.00 0.00 C ATOM 1786 CG LYS A 113 -12.760 3.513 4.595 1.00 0.00 C ATOM 1787 CD LYS A 113 -13.898 4.510 4.819 1.00 0.00 C ATOM 1788 CE LYS A 113 -14.721 4.135 6.053 1.00 0.00 C ATOM 1789 NZ LYS A 113 -15.170 5.351 6.767 1.00 0.00 N ATOM 0 H LYS A 113 -11.125 1.952 3.849 1.00 0.00 H new ATOM 0 HA LYS A 113 -10.633 4.601 3.096 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -11.066 3.668 5.921 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -11.533 5.187 5.182 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -12.734 3.215 3.547 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -12.942 2.611 5.178 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -13.489 5.513 4.941 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -14.543 4.534 3.941 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -15.585 3.542 5.754 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -14.124 3.514 6.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -15.727 5.078 7.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -14.341 5.902 7.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -15.758 5.929 6.133 1.00 0.00 H new ATOM 1803 N ALA A 114 -8.243 3.218 4.794 1.00 0.00 N ATOM 1804 CA ALA A 114 -6.872 3.390 5.243 1.00 0.00 C ATOM 1805 C ALA A 114 -5.995 3.784 4.052 1.00 0.00 C ATOM 1806 O ALA A 114 -5.262 4.769 4.116 1.00 0.00 O ATOM 1807 CB ALA A 114 -6.391 2.104 5.920 1.00 0.00 C ATOM 0 H ALA A 114 -8.601 2.266 4.871 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.807 4.191 5.980 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.362 2.233 6.257 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -7.028 1.883 6.776 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -6.439 1.279 5.210 1.00 0.00 H new ATOM 1813 N ILE A 115 -6.101 2.994 2.993 1.00 0.00 N ATOM 1814 CA ILE A 115 -5.327 3.249 1.790 1.00 0.00 C ATOM 1815 C ILE A 115 -5.726 4.607 1.210 1.00 0.00 C ATOM 1816 O ILE A 115 -4.866 5.424 0.884 1.00 0.00 O ATOM 1817 CB ILE A 115 -5.476 2.090 0.802 1.00 0.00 C ATOM 1818 CG1 ILE A 115 -4.881 0.802 1.374 1.00 0.00 C ATOM 1819 CG2 ILE A 115 -4.871 2.447 -0.557 1.00 0.00 C ATOM 1820 CD1 ILE A 115 -5.925 -0.315 1.411 1.00 0.00 C ATOM 0 H ILE A 115 -6.711 2.178 2.943 1.00 0.00 H new ATOM 0 HA ILE A 115 -4.264 3.303 2.025 1.00 0.00 H new ATOM 0 HB ILE A 115 -6.539 1.911 0.644 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -4.030 0.490 0.768 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -4.505 0.987 2.380 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -4.990 1.606 -1.240 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -5.380 3.321 -0.964 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -3.811 2.669 -0.436 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -5.476 -1.219 1.822 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -6.763 -0.009 2.037 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -6.281 -0.514 0.400 1.00 0.00 H new ATOM 1832 N GLN A 116 -7.032 4.807 1.099 1.00 0.00 N ATOM 1833 CA GLN A 116 -7.555 6.052 0.564 1.00 0.00 C ATOM 1834 C GLN A 116 -6.966 7.244 1.320 1.00 0.00 C ATOM 1835 O GLN A 116 -6.470 8.189 0.707 1.00 0.00 O ATOM 1836 CB GLN A 116 -9.084 6.071 0.616 1.00 0.00 C ATOM 1837 CG GLN A 116 -9.672 4.834 -0.065 1.00 0.00 C ATOM 1838 CD GLN A 116 -10.689 5.229 -1.137 1.00 0.00 C ATOM 1839 OE1 GLN A 116 -10.613 6.285 -1.742 1.00 0.00 O ATOM 1840 NE2 GLN A 116 -11.643 4.324 -1.337 1.00 0.00 N ATOM 0 H GLN A 116 -7.743 4.127 1.371 1.00 0.00 H new ATOM 0 HA GLN A 116 -7.258 6.128 -0.482 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -9.415 6.111 1.654 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -9.457 6.971 0.127 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -8.871 4.248 -0.517 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -10.151 4.198 0.679 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -11.648 3.460 -0.795 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -12.370 4.494 -2.032 1.00 0.00 H new ATOM 1849 N MET A 117 -7.039 7.162 2.640 1.00 0.00 N ATOM 1850 CA MET A 117 -6.518 8.222 3.486 1.00 0.00 C ATOM 1851 C MET A 117 -5.110 8.630 3.050 1.00 0.00 C ATOM 1852 O MET A 117 -4.818 9.817 2.912 1.00 0.00 O ATOM 1853 CB MET A 117 -6.486 7.746 4.940 1.00 0.00 C ATOM 1854 CG MET A 117 -5.088 7.911 5.539 1.00 0.00 C ATOM 1855 SD MET A 117 -5.143 7.636 7.302 1.00 0.00 S ATOM 1856 CE MET A 117 -5.826 5.988 7.338 1.00 0.00 C ATOM 0 H MET A 117 -7.451 6.377 3.145 1.00 0.00 H new ATOM 0 HA MET A 117 -7.171 9.089 3.393 1.00 0.00 H new ATOM 0 HB2 MET A 117 -7.207 8.313 5.528 1.00 0.00 H new ATOM 0 HB3 MET A 117 -6.786 6.699 4.991 1.00 0.00 H new ATOM 0 HG2 MET A 117 -4.399 7.206 5.074 1.00 0.00 H new ATOM 0 HG3 MET A 117 -4.710 8.912 5.330 1.00 0.00 H new ATOM 0 HE1 MET A 117 -5.748 5.584 8.347 1.00 0.00 H new ATOM 0 HE2 MET A 117 -6.874 6.022 7.041 1.00 0.00 H new ATOM 0 HE3 MET A 117 -5.274 5.350 6.648 1.00 0.00 H new ATOM 1866 N ALA A 118 -4.273 7.623 2.846 1.00 0.00 N ATOM 1867 CA ALA A 118 -2.902 7.861 2.428 1.00 0.00 C ATOM 1868 C ALA A 118 -2.892 8.346 0.977 1.00 0.00 C ATOM 1869 O ALA A 118 -2.421 9.445 0.689 1.00 0.00 O ATOM 1870 CB ALA A 118 -2.080 6.586 2.623 1.00 0.00 C ATOM 0 H ALA A 118 -4.518 6.640 2.963 1.00 0.00 H new ATOM 0 HA ALA A 118 -2.445 8.640 3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -1.051 6.765 2.309 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -2.094 6.301 3.675 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.508 5.782 2.024 1.00 0.00 H new ATOM 1876 N SER A 119 -3.418 7.502 0.102 1.00 0.00 N ATOM 1877 CA SER A 119 -3.475 7.830 -1.313 1.00 0.00 C ATOM 1878 C SER A 119 -3.956 9.271 -1.496 1.00 0.00 C ATOM 1879 O SER A 119 -3.398 10.018 -2.299 1.00 0.00 O ATOM 1880 CB SER A 119 -4.393 6.865 -2.065 1.00 0.00 C ATOM 1881 OG SER A 119 -5.766 7.078 -1.750 1.00 0.00 O ATOM 0 H SER A 119 -3.809 6.592 0.345 1.00 0.00 H new ATOM 0 HA SER A 119 -2.472 7.732 -1.728 1.00 0.00 H new ATOM 0 HB2 SER A 119 -4.245 6.986 -3.138 1.00 0.00 H new ATOM 0 HB3 SER A 119 -4.120 5.839 -1.819 1.00 0.00 H new ATOM 0 HG SER A 119 -5.845 7.381 -0.821 1.00 0.00 H new ATOM 1887 N ARG A 120 -4.986 9.619 -0.738 1.00 0.00 N ATOM 1888 CA ARG A 120 -5.548 10.957 -0.807 1.00 0.00 C ATOM 1889 C ARG A 120 -4.541 11.983 -0.285 1.00 0.00 C ATOM 1890 O ARG A 120 -4.329 13.023 -0.907 1.00 0.00 O ATOM 1891 CB ARG A 120 -6.837 11.056 0.010 1.00 0.00 C ATOM 1892 CG ARG A 120 -7.990 10.337 -0.694 1.00 0.00 C ATOM 1893 CD ARG A 120 -8.087 10.763 -2.161 1.00 0.00 C ATOM 1894 NE ARG A 120 -9.492 10.682 -2.619 1.00 0.00 N ATOM 1895 CZ ARG A 120 -9.877 10.844 -3.892 1.00 0.00 C ATOM 1896 NH1 ARG A 120 -8.965 11.096 -4.841 1.00 0.00 N ATOM 1897 NH2 ARG A 120 -11.174 10.754 -4.217 1.00 0.00 N ATOM 0 H ARG A 120 -5.446 8.997 -0.073 1.00 0.00 H new ATOM 0 HA ARG A 120 -5.777 11.167 -1.852 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -6.681 10.620 0.997 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -7.096 12.104 0.162 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -7.842 9.259 -0.634 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -8.927 10.559 -0.184 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -7.716 11.781 -2.278 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.457 10.121 -2.777 1.00 0.00 H new ATOM 0 HE ARG A 120 -10.212 10.491 -1.922 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -7.978 11.164 -4.594 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -9.258 11.219 -5.810 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -11.869 10.562 -3.495 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -11.467 10.877 -5.186 1.00 0.00 H new ATOM 1911 N THR A 121 -3.946 11.655 0.853 1.00 0.00 N ATOM 1912 CA THR A 121 -2.967 12.535 1.467 1.00 0.00 C ATOM 1913 C THR A 121 -3.385 13.998 1.300 1.00 0.00 C ATOM 1914 O THR A 121 -2.987 14.655 0.339 1.00 0.00 O ATOM 1915 CB THR A 121 -1.600 12.221 0.855 1.00 0.00 C ATOM 1916 OG1 THR A 121 -0.800 13.351 1.192 1.00 0.00 O ATOM 1917 CG2 THR A 121 -1.627 12.226 -0.675 1.00 0.00 C ATOM 0 H THR A 121 -4.124 10.791 1.366 1.00 0.00 H new ATOM 0 HA THR A 121 -2.905 12.368 2.542 1.00 0.00 H new ATOM 0 HB THR A 121 -1.260 11.247 1.208 1.00 0.00 H new ATOM 0 HG1 THR A 121 0.104 13.230 0.834 1.00 0.00 H new ATOM 0 HG21 THR A 121 -0.632 11.998 -1.057 1.00 0.00 H new ATOM 0 HG22 THR A 121 -2.333 11.475 -1.029 1.00 0.00 H new ATOM 0 HG23 THR A 121 -1.935 13.209 -1.030 1.00 0.00 H new ATOM 1925 N GLY A 122 -4.182 14.464 2.250 1.00 0.00 N ATOM 1926 CA GLY A 122 -4.658 15.836 2.220 1.00 0.00 C ATOM 1927 C GLY A 122 -3.517 16.819 2.492 1.00 0.00 C ATOM 1928 O GLY A 122 -3.211 17.116 3.645 1.00 0.00 O ATOM 0 H GLY A 122 -4.510 13.916 3.045 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -5.102 16.049 1.248 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -5.442 15.969 2.965 1.00 0.00 H new ATOM 1932 N LYS A 123 -2.920 17.296 1.410 1.00 0.00 N ATOM 1933 CA LYS A 123 -1.820 18.239 1.517 1.00 0.00 C ATOM 1934 C LYS A 123 -0.541 17.485 1.886 1.00 0.00 C ATOM 1935 O LYS A 123 -0.525 16.717 2.848 1.00 0.00 O ATOM 1936 CB LYS A 123 -2.172 19.366 2.490 1.00 0.00 C ATOM 1937 CG LYS A 123 -1.823 20.732 1.897 1.00 0.00 C ATOM 1938 CD LYS A 123 -3.039 21.358 1.210 1.00 0.00 C ATOM 1939 CE LYS A 123 -3.428 22.678 1.881 1.00 0.00 C ATOM 1940 NZ LYS A 123 -3.461 23.774 0.887 1.00 0.00 N ATOM 0 H LYS A 123 -3.177 17.047 0.455 1.00 0.00 H new ATOM 0 HA LYS A 123 -1.639 18.723 0.557 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -3.236 19.329 2.725 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -1.633 19.224 3.427 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -1.465 21.394 2.685 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -1.010 20.624 1.179 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -2.817 21.533 0.157 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -3.879 20.665 1.248 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -4.405 22.578 2.354 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -2.715 22.916 2.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -3.726 24.662 1.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -2.521 23.879 0.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -4.159 23.552 0.149 1.00 0.00 H new ATOM 1954 N SER A 124 0.499 17.729 1.104 1.00 0.00 N ATOM 1955 CA SER A 124 1.780 17.082 1.337 1.00 0.00 C ATOM 1956 C SER A 124 2.483 17.730 2.531 1.00 0.00 C ATOM 1957 O SER A 124 2.677 18.944 2.558 1.00 0.00 O ATOM 1958 CB SER A 124 2.668 17.155 0.093 1.00 0.00 C ATOM 1959 OG SER A 124 3.104 15.865 -0.327 1.00 0.00 O ATOM 0 H SER A 124 0.482 18.366 0.308 1.00 0.00 H new ATOM 0 HA SER A 124 1.598 16.030 1.558 1.00 0.00 H new ATOM 0 HB2 SER A 124 2.118 17.634 -0.717 1.00 0.00 H new ATOM 0 HB3 SER A 124 3.536 17.781 0.303 1.00 0.00 H new ATOM 0 HG SER A 124 3.667 15.953 -1.124 1.00 0.00 H new ATOM 1965 N GLY A 125 2.848 16.891 3.489 1.00 0.00 N ATOM 1966 CA GLY A 125 3.526 17.366 4.683 1.00 0.00 C ATOM 1967 C GLY A 125 4.850 18.045 4.327 1.00 0.00 C ATOM 1968 O GLY A 125 5.109 18.336 3.160 1.00 0.00 O ATOM 0 H GLY A 125 2.687 15.884 3.463 1.00 0.00 H new ATOM 0 HA2 GLY A 125 2.884 18.068 5.215 1.00 0.00 H new ATOM 0 HA3 GLY A 125 3.711 16.530 5.357 1.00 0.00 H new ATOM 1972 N PRO A 126 5.676 18.283 5.381 1.00 0.00 N ATOM 1973 CA PRO A 126 6.967 18.922 5.192 1.00 0.00 C ATOM 1974 C PRO A 126 7.975 17.948 4.578 1.00 0.00 C ATOM 1975 O PRO A 126 7.814 16.733 4.683 1.00 0.00 O ATOM 1976 CB PRO A 126 7.373 19.405 6.575 1.00 0.00 C ATOM 1977 CG PRO A 126 6.524 18.616 7.558 1.00 0.00 C ATOM 1978 CD PRO A 126 5.402 17.952 6.777 1.00 0.00 C ATOM 0 HA PRO A 126 6.926 19.755 4.490 1.00 0.00 H new ATOM 0 HB2 PRO A 126 8.435 19.235 6.752 1.00 0.00 H new ATOM 0 HB3 PRO A 126 7.200 20.476 6.681 1.00 0.00 H new ATOM 0 HG2 PRO A 126 7.129 17.867 8.069 1.00 0.00 H new ATOM 0 HG3 PRO A 126 6.117 19.275 8.325 1.00 0.00 H new ATOM 0 HD2 PRO A 126 5.394 16.873 6.934 1.00 0.00 H new ATOM 0 HD3 PRO A 126 4.427 18.326 7.089 1.00 0.00 H new ATOM 1986 N SER A 127 8.993 18.519 3.951 1.00 0.00 N ATOM 1987 CA SER A 127 10.028 17.716 3.320 1.00 0.00 C ATOM 1988 C SER A 127 11.365 18.460 3.362 1.00 0.00 C ATOM 1989 O SER A 127 11.403 19.661 3.622 1.00 0.00 O ATOM 1990 CB SER A 127 9.656 17.374 1.876 1.00 0.00 C ATOM 1991 OG SER A 127 10.456 16.316 1.355 1.00 0.00 O ATOM 0 H SER A 127 9.124 19.527 3.866 1.00 0.00 H new ATOM 0 HA SER A 127 10.121 16.782 3.873 1.00 0.00 H new ATOM 0 HB2 SER A 127 8.605 17.090 1.830 1.00 0.00 H new ATOM 0 HB3 SER A 127 9.775 18.260 1.252 1.00 0.00 H new ATOM 0 HG SER A 127 10.187 16.126 0.432 1.00 0.00 H new ATOM 1997 N SER A 128 12.428 17.714 3.101 1.00 0.00 N ATOM 1998 CA SER A 128 13.763 18.287 3.106 1.00 0.00 C ATOM 1999 C SER A 128 13.921 19.238 4.294 1.00 0.00 C ATOM 2000 O SER A 128 13.607 20.423 4.192 1.00 0.00 O ATOM 2001 CB SER A 128 14.051 19.024 1.796 1.00 0.00 C ATOM 2002 OG SER A 128 13.190 20.145 1.614 1.00 0.00 O ATOM 0 H SER A 128 12.392 16.718 2.885 1.00 0.00 H new ATOM 0 HA SER A 128 14.483 17.474 3.201 1.00 0.00 H new ATOM 0 HB2 SER A 128 15.088 19.359 1.789 1.00 0.00 H new ATOM 0 HB3 SER A 128 13.932 18.336 0.959 1.00 0.00 H new ATOM 0 HG SER A 128 12.819 20.417 2.480 1.00 0.00 H new ATOM 2008 N GLY A 129 14.407 18.682 5.395 1.00 0.00 N ATOM 2009 CA GLY A 129 14.610 19.465 6.602 1.00 0.00 C ATOM 2010 C GLY A 129 14.414 18.605 7.852 1.00 0.00 C ATOM 2011 O GLY A 129 14.783 17.432 7.867 1.00 0.00 O ATOM 0 H GLY A 129 14.666 17.699 5.476 1.00 0.00 H new ATOM 0 HA2 GLY A 129 15.615 19.888 6.601 1.00 0.00 H new ATOM 0 HA3 GLY A 129 13.912 20.302 6.619 1.00 0.00 H new TER 2015 GLY A 129