USER MOD reduce.3.24.130724 H: found=0, std=0, add=1008, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1009 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 8 MET CE :methyl -125:sc= -0.933 (180deg=-6.46!) USER MOD Single : A 13 ASN : amide:sc= -2.78 K(o=-2.8,f=-1.9) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.263 K(o=-0.26,f=-2.6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.645 X(o=-0.65,f=-0.64) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.0626 X(o=-0.063,f=-0.036) USER MOD Single : A 36 SER OG : rot 63:sc= 1.13 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -1.39! C(o=-1.4!,f=-3.4!) USER MOD Single : A 45 TYR OH : rot 180:sc=-0.00817 USER MOD Single : A 48 CYS SG : rot 168:sc= -2.57! USER MOD Single : A 52 SER OG : rot 176:sc= 0.139 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.418 K(o=0.42,f=-3.2!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -0.471 K(o=-0.47,f=-1.1) USER MOD Single : A 80 TYR OH : rot 52:sc= 0.455 USER MOD Single : A 83 TYR OH : rot -102:sc= 0.0318 USER MOD Single : A 88 ASN : amide:sc= -2.05! X(o=-2.1!,f=-1.8) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot -142:sc= 0.295 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.00613) USER MOD Single : A 100 TYR OH : rot 137:sc= -2.44! USER MOD Single : A 106 GLN : amide:sc= -0.21 K(o=-0.21,f=-1.4!) USER MOD Single : A 107 THR OG1 : rot 5:sc= 0.802 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 111 ASN : amide:sc= -2.68 K(o=-2.7,f=-21!) USER MOD Single : A 112 ASN : amide:sc= -0.0247 X(o=-0.025,f=0) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0.21) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 MET CE :methyl -127:sc= -2.84! (180deg=-4.99!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -13.640 4.666 8.145 1.00 0.00 N ATOM 60 CA GLY A 7 -14.176 3.785 7.121 1.00 0.00 C ATOM 61 C GLY A 7 -13.371 3.898 5.825 1.00 0.00 C ATOM 62 O GLY A 7 -12.352 3.229 5.663 1.00 0.00 O ATOM 0 HA2 GLY A 7 -14.157 2.755 7.476 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.219 4.037 6.929 1.00 0.00 H new ATOM 66 N MET A 8 -13.860 4.750 4.935 1.00 0.00 N ATOM 67 CA MET A 8 -13.199 4.959 3.659 1.00 0.00 C ATOM 68 C MET A 8 -12.806 6.426 3.479 1.00 0.00 C ATOM 69 O MET A 8 -11.712 6.727 3.002 1.00 0.00 O ATOM 70 CB MET A 8 -14.135 4.538 2.524 1.00 0.00 C ATOM 71 CG MET A 8 -13.521 4.858 1.159 1.00 0.00 C ATOM 72 SD MET A 8 -12.702 3.412 0.505 1.00 0.00 S ATOM 73 CE MET A 8 -11.100 3.590 1.272 1.00 0.00 C ATOM 0 H MET A 8 -14.706 5.303 5.073 1.00 0.00 H new ATOM 0 HA MET A 8 -12.292 4.354 3.637 1.00 0.00 H new ATOM 0 HB2 MET A 8 -14.339 3.469 2.593 1.00 0.00 H new ATOM 0 HB3 MET A 8 -15.091 5.052 2.626 1.00 0.00 H new ATOM 0 HG2 MET A 8 -14.298 5.189 0.470 1.00 0.00 H new ATOM 0 HG3 MET A 8 -12.809 5.678 1.254 1.00 0.00 H new ATOM 0 HE1 MET A 8 -10.326 3.581 0.504 1.00 0.00 H new ATOM 0 HE2 MET A 8 -11.060 4.534 1.816 1.00 0.00 H new ATOM 0 HE3 MET A 8 -10.934 2.765 1.964 1.00 0.00 H new ATOM 83 N GLU A 9 -13.720 7.303 3.870 1.00 0.00 N ATOM 84 CA GLU A 9 -13.483 8.732 3.757 1.00 0.00 C ATOM 85 C GLU A 9 -12.518 9.198 4.850 1.00 0.00 C ATOM 86 O GLU A 9 -11.938 10.278 4.752 1.00 0.00 O ATOM 87 CB GLU A 9 -14.797 9.513 3.818 1.00 0.00 C ATOM 88 CG GLU A 9 -14.952 10.422 2.598 1.00 0.00 C ATOM 89 CD GLU A 9 -16.356 11.025 2.539 1.00 0.00 C ATOM 90 OE1 GLU A 9 -17.310 10.231 2.389 1.00 0.00 O ATOM 91 OE2 GLU A 9 -16.445 12.268 2.644 1.00 0.00 O ATOM 0 H GLU A 9 -14.626 7.051 4.265 1.00 0.00 H new ATOM 0 HA GLU A 9 -13.026 8.929 2.787 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -15.635 8.818 3.867 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.826 10.112 4.728 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.211 11.220 2.638 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.758 9.853 1.689 1.00 0.00 H new ATOM 98 N ALA A 10 -12.376 8.358 5.866 1.00 0.00 N ATOM 99 CA ALA A 10 -11.491 8.671 6.976 1.00 0.00 C ATOM 100 C ALA A 10 -10.099 8.109 6.686 1.00 0.00 C ATOM 101 O ALA A 10 -9.098 8.809 6.834 1.00 0.00 O ATOM 102 CB ALA A 10 -12.085 8.117 8.273 1.00 0.00 C ATOM 0 H ALA A 10 -12.858 7.463 5.944 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.392 9.750 7.097 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.422 8.351 9.106 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.061 8.569 8.448 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.195 7.036 8.190 1.00 0.00 H new ATOM 108 N VAL A 11 -10.077 6.848 6.276 1.00 0.00 N ATOM 109 CA VAL A 11 -8.823 6.183 5.965 1.00 0.00 C ATOM 110 C VAL A 11 -8.107 6.952 4.852 1.00 0.00 C ATOM 111 O VAL A 11 -6.950 7.339 5.007 1.00 0.00 O ATOM 112 CB VAL A 11 -9.082 4.718 5.607 1.00 0.00 C ATOM 113 CG1 VAL A 11 -10.002 4.606 4.390 1.00 0.00 C ATOM 114 CG2 VAL A 11 -7.768 3.971 5.373 1.00 0.00 C ATOM 0 H VAL A 11 -10.908 6.270 6.152 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.166 6.180 6.835 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.587 4.250 6.452 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.170 3.555 4.157 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.956 5.086 4.609 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.537 5.097 3.536 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.980 2.932 5.120 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -7.224 4.440 4.553 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -7.162 4.008 6.279 1.00 0.00 H new ATOM 124 N LEU A 12 -8.825 7.151 3.757 1.00 0.00 N ATOM 125 CA LEU A 12 -8.272 7.866 2.618 1.00 0.00 C ATOM 126 C LEU A 12 -7.985 9.313 3.023 1.00 0.00 C ATOM 127 O LEU A 12 -7.318 10.045 2.293 1.00 0.00 O ATOM 128 CB LEU A 12 -9.195 7.738 1.405 1.00 0.00 C ATOM 129 CG LEU A 12 -9.030 6.468 0.569 1.00 0.00 C ATOM 130 CD1 LEU A 12 -9.938 6.502 -0.663 1.00 0.00 C ATOM 131 CD2 LEU A 12 -7.565 6.244 0.194 1.00 0.00 C ATOM 0 H LEU A 12 -9.785 6.830 3.634 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.323 7.424 2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.227 7.790 1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.033 8.599 0.757 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.340 5.617 1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.802 5.588 -1.241 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.978 6.580 -0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.681 7.363 -1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.476 5.334 -0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.204 7.093 -0.386 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.968 6.145 1.101 1.00 0.00 H new ATOM 143 N ASN A 13 -8.502 9.684 4.185 1.00 0.00 N ATOM 144 CA ASN A 13 -8.310 11.031 4.695 1.00 0.00 C ATOM 145 C ASN A 13 -7.032 11.075 5.534 1.00 0.00 C ATOM 146 O ASN A 13 -5.991 11.531 5.064 1.00 0.00 O ATOM 147 CB ASN A 13 -9.479 11.454 5.588 1.00 0.00 C ATOM 148 CG ASN A 13 -10.370 12.473 4.877 1.00 0.00 C ATOM 149 OD1 ASN A 13 -10.785 13.473 5.440 1.00 0.00 O ATOM 150 ND2 ASN A 13 -10.642 12.166 3.612 1.00 0.00 N ATOM 0 H ASN A 13 -9.054 9.075 4.788 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.244 11.709 3.844 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -10.068 10.579 5.861 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -9.097 11.883 6.514 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -11.230 12.784 3.052 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -10.263 11.313 3.201 1.00 0.00 H new ATOM 157 N GLU A 14 -7.153 10.596 6.765 1.00 0.00 N ATOM 158 CA GLU A 14 -6.021 10.576 7.674 1.00 0.00 C ATOM 159 C GLU A 14 -4.752 10.151 6.933 1.00 0.00 C ATOM 160 O GLU A 14 -4.790 9.248 6.099 1.00 0.00 O ATOM 161 CB GLU A 14 -6.293 9.658 8.868 1.00 0.00 C ATOM 162 CG GLU A 14 -5.875 10.324 10.180 1.00 0.00 C ATOM 163 CD GLU A 14 -5.330 9.294 11.170 1.00 0.00 C ATOM 164 OE1 GLU A 14 -6.158 8.739 11.925 1.00 0.00 O ATOM 165 OE2 GLU A 14 -4.098 9.085 11.150 1.00 0.00 O ATOM 0 H GLU A 14 -8.018 10.219 7.153 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.872 11.585 8.060 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.353 9.408 8.905 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.749 8.722 8.742 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.115 11.080 9.982 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.730 10.838 10.619 1.00 0.00 H new ATOM 172 N LEU A 15 -3.658 10.821 7.265 1.00 0.00 N ATOM 173 CA LEU A 15 -2.380 10.523 6.642 1.00 0.00 C ATOM 174 C LEU A 15 -1.414 9.985 7.700 1.00 0.00 C ATOM 175 O LEU A 15 -1.670 10.104 8.896 1.00 0.00 O ATOM 176 CB LEU A 15 -1.852 11.748 5.891 1.00 0.00 C ATOM 177 CG LEU A 15 -1.791 13.050 6.693 1.00 0.00 C ATOM 178 CD1 LEU A 15 -0.570 13.072 7.614 1.00 0.00 C ATOM 179 CD2 LEU A 15 -1.831 14.267 5.765 1.00 0.00 C ATOM 0 H LEU A 15 -3.631 11.569 7.958 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.495 9.742 5.890 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.850 11.522 5.526 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.481 11.912 5.016 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.674 13.100 7.330 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.552 14.008 8.172 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.625 12.236 8.311 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.338 12.988 7.017 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.786 15.180 6.360 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.979 14.235 5.086 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.756 14.255 5.188 1.00 0.00 H new ATOM 191 N VAL A 16 -0.323 9.406 7.219 1.00 0.00 N ATOM 192 CA VAL A 16 0.683 8.850 8.108 1.00 0.00 C ATOM 193 C VAL A 16 1.534 9.985 8.681 1.00 0.00 C ATOM 194 O VAL A 16 1.732 11.008 8.027 1.00 0.00 O ATOM 195 CB VAL A 16 1.510 7.796 7.369 1.00 0.00 C ATOM 196 CG1 VAL A 16 2.959 8.255 7.202 1.00 0.00 C ATOM 197 CG2 VAL A 16 1.440 6.445 8.084 1.00 0.00 C ATOM 0 H VAL A 16 -0.114 9.310 6.225 1.00 0.00 H new ATOM 0 HA VAL A 16 0.211 8.342 8.949 1.00 0.00 H new ATOM 0 HB VAL A 16 1.083 7.670 6.374 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.525 7.488 6.674 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.983 9.182 6.630 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.403 8.422 8.183 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.036 5.713 7.539 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.830 6.549 9.097 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.404 6.109 8.127 1.00 0.00 H new ATOM 207 N SER A 17 2.014 9.765 9.897 1.00 0.00 N ATOM 208 CA SER A 17 2.839 10.757 10.564 1.00 0.00 C ATOM 209 C SER A 17 4.285 10.264 10.648 1.00 0.00 C ATOM 210 O SER A 17 4.529 9.070 10.814 1.00 0.00 O ATOM 211 CB SER A 17 2.304 11.068 11.963 1.00 0.00 C ATOM 212 OG SER A 17 0.879 11.073 12.000 1.00 0.00 O ATOM 0 H SER A 17 1.847 8.915 10.436 1.00 0.00 H new ATOM 0 HA SER A 17 2.808 11.676 9.979 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.683 10.329 12.669 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.679 12.039 12.287 1.00 0.00 H new ATOM 0 HG SER A 17 0.576 11.274 12.910 1.00 0.00 H new ATOM 218 N VAL A 18 5.206 11.209 10.529 1.00 0.00 N ATOM 219 CA VAL A 18 6.622 10.885 10.588 1.00 0.00 C ATOM 220 C VAL A 18 6.893 10.024 11.823 1.00 0.00 C ATOM 221 O VAL A 18 7.618 9.034 11.748 1.00 0.00 O ATOM 222 CB VAL A 18 7.454 12.169 10.560 1.00 0.00 C ATOM 223 CG1 VAL A 18 8.949 11.855 10.643 1.00 0.00 C ATOM 224 CG2 VAL A 18 7.136 13.002 9.317 1.00 0.00 C ATOM 0 H VAL A 18 5.000 12.199 10.392 1.00 0.00 H new ATOM 0 HA VAL A 18 6.917 10.303 9.715 1.00 0.00 H new ATOM 0 HB VAL A 18 7.187 12.760 11.436 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.518 12.785 10.621 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.158 11.323 11.571 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.238 11.233 9.796 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.741 13.909 9.322 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.360 12.421 8.422 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.080 13.271 9.320 1.00 0.00 H new ATOM 234 N GLU A 19 6.294 10.433 12.934 1.00 0.00 N ATOM 235 CA GLU A 19 6.461 9.711 14.183 1.00 0.00 C ATOM 236 C GLU A 19 6.377 8.203 13.940 1.00 0.00 C ATOM 237 O GLU A 19 7.307 7.465 14.261 1.00 0.00 O ATOM 238 CB GLU A 19 5.427 10.158 15.218 1.00 0.00 C ATOM 239 CG GLU A 19 6.048 10.241 16.613 1.00 0.00 C ATOM 240 CD GLU A 19 4.986 10.045 17.698 1.00 0.00 C ATOM 241 OE1 GLU A 19 4.188 9.095 17.545 1.00 0.00 O ATOM 242 OE2 GLU A 19 4.997 10.849 18.655 1.00 0.00 O ATOM 0 H GLU A 19 5.693 11.255 12.994 1.00 0.00 H new ATOM 0 HA GLU A 19 7.449 9.940 14.583 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.023 11.131 14.937 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.592 9.458 15.229 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.823 9.481 16.716 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.532 11.209 16.743 1.00 0.00 H new ATOM 249 N ASP A 20 5.251 7.788 13.376 1.00 0.00 N ATOM 250 CA ASP A 20 5.033 6.381 13.087 1.00 0.00 C ATOM 251 C ASP A 20 5.959 5.950 11.949 1.00 0.00 C ATOM 252 O ASP A 20 6.693 4.972 12.078 1.00 0.00 O ATOM 253 CB ASP A 20 3.591 6.127 12.645 1.00 0.00 C ATOM 254 CG ASP A 20 2.663 5.600 13.741 1.00 0.00 C ATOM 255 OD1 ASP A 20 3.201 5.044 14.723 1.00 0.00 O ATOM 256 OD2 ASP A 20 1.435 5.762 13.572 1.00 0.00 O ATOM 0 H ASP A 20 4.481 8.402 13.112 1.00 0.00 H new ATOM 0 HA ASP A 20 5.237 5.814 13.995 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.177 7.057 12.255 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.599 5.412 11.822 1.00 0.00 H new ATOM 261 N LEU A 21 5.894 6.700 10.858 1.00 0.00 N ATOM 262 CA LEU A 21 6.718 6.407 9.698 1.00 0.00 C ATOM 263 C LEU A 21 8.133 6.049 10.158 1.00 0.00 C ATOM 264 O LEU A 21 8.714 5.073 9.689 1.00 0.00 O ATOM 265 CB LEU A 21 6.670 7.567 8.701 1.00 0.00 C ATOM 266 CG LEU A 21 7.028 7.222 7.254 1.00 0.00 C ATOM 267 CD1 LEU A 21 8.466 6.708 7.151 1.00 0.00 C ATOM 268 CD2 LEU A 21 6.023 6.232 6.661 1.00 0.00 C ATOM 0 H LEU A 21 5.283 7.510 10.753 1.00 0.00 H new ATOM 0 HA LEU A 21 6.329 5.540 9.164 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.666 7.991 8.715 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.350 8.346 9.047 1.00 0.00 H new ATOM 0 HG LEU A 21 6.969 8.135 6.662 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.694 6.470 6.112 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.153 7.476 7.507 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.576 5.811 7.761 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.301 6.004 5.632 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.026 5.315 7.249 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.026 6.672 6.679 1.00 0.00 H new ATOM 280 N LYS A 22 8.645 6.861 11.072 1.00 0.00 N ATOM 281 CA LYS A 22 9.980 6.643 11.602 1.00 0.00 C ATOM 282 C LYS A 22 10.046 5.261 12.257 1.00 0.00 C ATOM 283 O LYS A 22 11.004 4.518 12.054 1.00 0.00 O ATOM 284 CB LYS A 22 10.380 7.786 12.537 1.00 0.00 C ATOM 285 CG LYS A 22 10.840 9.009 11.742 1.00 0.00 C ATOM 286 CD LYS A 22 12.363 9.025 11.595 1.00 0.00 C ATOM 287 CE LYS A 22 12.968 10.248 12.289 1.00 0.00 C ATOM 288 NZ LYS A 22 14.110 9.848 13.141 1.00 0.00 N ATOM 0 H LYS A 22 8.159 7.670 11.459 1.00 0.00 H new ATOM 0 HA LYS A 22 10.714 6.650 10.796 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.534 8.056 13.170 1.00 0.00 H new ATOM 0 HB3 LYS A 22 11.181 7.456 13.199 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.376 9.002 10.756 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.510 9.919 12.243 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.783 8.115 12.023 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.630 9.033 10.538 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.299 10.970 11.543 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.209 10.742 12.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.509 10.689 13.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.785 9.176 13.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.840 9.397 12.553 1.00 0.00 H new ATOM 302 N ASN A 23 9.013 4.958 13.030 1.00 0.00 N ATOM 303 CA ASN A 23 8.940 3.680 13.715 1.00 0.00 C ATOM 304 C ASN A 23 9.202 2.553 12.714 1.00 0.00 C ATOM 305 O ASN A 23 10.048 1.693 12.950 1.00 0.00 O ATOM 306 CB ASN A 23 7.553 3.459 14.324 1.00 0.00 C ATOM 307 CG ASN A 23 7.652 3.161 15.821 1.00 0.00 C ATOM 308 OD1 ASN A 23 8.653 3.422 16.468 1.00 0.00 O ATOM 309 ND2 ASN A 23 6.561 2.600 16.334 1.00 0.00 N ATOM 0 H ASN A 23 8.219 5.577 13.197 1.00 0.00 H new ATOM 0 HA ASN A 23 9.687 3.681 14.509 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.937 4.344 14.166 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.057 2.631 13.817 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.528 2.362 17.325 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.757 2.408 15.736 1.00 0.00 H new ATOM 316 N PHE A 24 8.459 2.595 11.618 1.00 0.00 N ATOM 317 CA PHE A 24 8.600 1.588 10.580 1.00 0.00 C ATOM 318 C PHE A 24 9.894 1.793 9.789 1.00 0.00 C ATOM 319 O PHE A 24 10.693 0.868 9.649 1.00 0.00 O ATOM 320 CB PHE A 24 7.409 1.750 9.634 1.00 0.00 C ATOM 321 CG PHE A 24 6.054 1.462 10.285 1.00 0.00 C ATOM 322 CD1 PHE A 24 5.581 0.189 10.334 1.00 0.00 C ATOM 323 CD2 PHE A 24 5.324 2.481 10.815 1.00 0.00 C ATOM 324 CE1 PHE A 24 4.323 -0.078 10.939 1.00 0.00 C ATOM 325 CE2 PHE A 24 4.067 2.213 11.418 1.00 0.00 C ATOM 326 CZ PHE A 24 3.593 0.939 11.468 1.00 0.00 C ATOM 0 H PHE A 24 7.758 3.310 11.426 1.00 0.00 H new ATOM 0 HA PHE A 24 8.632 0.595 11.028 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.404 2.768 9.243 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.541 1.082 8.783 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.161 -0.619 9.913 1.00 0.00 H new ATOM 0 HD2 PHE A 24 5.701 3.493 10.777 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.947 -1.090 10.978 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.487 3.021 11.837 1.00 0.00 H new ATOM 0 HZ PHE A 24 2.637 0.736 11.928 1.00 0.00 H new ATOM 336 N GLU A 25 10.061 3.011 9.295 1.00 0.00 N ATOM 337 CA GLU A 25 11.244 3.350 8.522 1.00 0.00 C ATOM 338 C GLU A 25 12.486 2.708 9.145 1.00 0.00 C ATOM 339 O GLU A 25 13.448 2.397 8.443 1.00 0.00 O ATOM 340 CB GLU A 25 11.410 4.866 8.409 1.00 0.00 C ATOM 341 CG GLU A 25 12.252 5.235 7.186 1.00 0.00 C ATOM 342 CD GLU A 25 12.567 6.733 7.169 1.00 0.00 C ATOM 343 OE1 GLU A 25 13.610 7.099 7.752 1.00 0.00 O ATOM 344 OE2 GLU A 25 11.758 7.477 6.573 1.00 0.00 O ATOM 0 H GLU A 25 9.397 3.776 9.415 1.00 0.00 H new ATOM 0 HA GLU A 25 11.120 2.955 7.514 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.430 5.338 8.337 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.884 5.252 9.311 1.00 0.00 H new ATOM 0 HG2 GLU A 25 13.181 4.664 7.194 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.718 4.962 6.276 1.00 0.00 H new ATOM 351 N ARG A 26 12.426 2.529 10.457 1.00 0.00 N ATOM 352 CA ARG A 26 13.534 1.930 11.182 1.00 0.00 C ATOM 353 C ARG A 26 13.476 0.405 11.074 1.00 0.00 C ATOM 354 O ARG A 26 14.447 -0.229 10.664 1.00 0.00 O ATOM 355 CB ARG A 26 13.506 2.331 12.659 1.00 0.00 C ATOM 356 CG ARG A 26 14.066 1.215 13.541 1.00 0.00 C ATOM 357 CD ARG A 26 14.362 1.727 14.952 1.00 0.00 C ATOM 358 NE ARG A 26 15.727 1.327 15.360 1.00 0.00 N ATOM 359 CZ ARG A 26 16.839 1.991 15.014 1.00 0.00 C ATOM 360 NH1 ARG A 26 16.753 3.089 14.252 1.00 0.00 N ATOM 361 NH2 ARG A 26 18.036 1.555 15.430 1.00 0.00 N ATOM 0 H ARG A 26 11.628 2.788 11.036 1.00 0.00 H new ATOM 0 HA ARG A 26 14.459 2.295 10.735 1.00 0.00 H new ATOM 0 HB2 ARG A 26 14.089 3.241 12.804 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.483 2.557 12.959 1.00 0.00 H new ATOM 0 HG2 ARG A 26 13.352 0.393 13.591 1.00 0.00 H new ATOM 0 HG3 ARG A 26 14.978 0.818 13.096 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.268 2.813 14.981 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.631 1.325 15.654 1.00 0.00 H new ATOM 0 HE ARG A 26 15.828 0.494 15.941 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.842 3.420 13.935 1.00 0.00 H new ATOM 0 HH12 ARG A 26 17.599 3.594 13.989 1.00 0.00 H new ATOM 0 HH21 ARG A 26 18.101 0.718 16.010 1.00 0.00 H new ATOM 0 HH22 ARG A 26 18.882 2.060 15.167 1.00 0.00 H new ATOM 375 N LYS A 27 12.328 -0.140 11.449 1.00 0.00 N ATOM 376 CA LYS A 27 12.132 -1.579 11.401 1.00 0.00 C ATOM 377 C LYS A 27 12.615 -2.109 10.049 1.00 0.00 C ATOM 378 O LYS A 27 13.435 -3.024 9.995 1.00 0.00 O ATOM 379 CB LYS A 27 10.677 -1.932 11.715 1.00 0.00 C ATOM 380 CG LYS A 27 10.558 -2.598 13.087 1.00 0.00 C ATOM 381 CD LYS A 27 10.752 -1.578 14.210 1.00 0.00 C ATOM 382 CE LYS A 27 9.574 -1.606 15.187 1.00 0.00 C ATOM 383 NZ LYS A 27 10.025 -2.035 16.530 1.00 0.00 N ATOM 0 H LYS A 27 11.524 0.389 11.787 1.00 0.00 H new ATOM 0 HA LYS A 27 12.728 -2.071 12.169 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.067 -1.029 11.691 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.287 -2.601 10.947 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.579 -3.068 13.183 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.302 -3.389 13.177 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.677 -1.792 14.745 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.853 -0.579 13.785 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.121 -0.617 15.248 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.806 -2.287 14.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.214 -2.049 17.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.437 -2.988 16.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.742 -1.370 16.884 1.00 0.00 H new ATOM 397 N PHE A 28 12.087 -1.511 8.991 1.00 0.00 N ATOM 398 CA PHE A 28 12.453 -1.912 7.644 1.00 0.00 C ATOM 399 C PHE A 28 13.965 -1.798 7.430 1.00 0.00 C ATOM 400 O PHE A 28 14.649 -2.805 7.262 1.00 0.00 O ATOM 401 CB PHE A 28 11.741 -0.958 6.684 1.00 0.00 C ATOM 402 CG PHE A 28 11.953 -1.290 5.205 1.00 0.00 C ATOM 403 CD1 PHE A 28 11.194 -2.249 4.609 1.00 0.00 C ATOM 404 CD2 PHE A 28 12.898 -0.627 4.488 1.00 0.00 C ATOM 405 CE1 PHE A 28 11.390 -2.557 3.237 1.00 0.00 C ATOM 406 CE2 PHE A 28 13.094 -0.936 3.116 1.00 0.00 C ATOM 407 CZ PHE A 28 12.335 -1.895 2.519 1.00 0.00 C ATOM 0 H PHE A 28 11.408 -0.751 9.040 1.00 0.00 H new ATOM 0 HA PHE A 28 12.166 -2.950 7.474 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.673 -0.973 6.900 1.00 0.00 H new ATOM 0 HB3 PHE A 28 12.090 0.057 6.872 1.00 0.00 H new ATOM 0 HD1 PHE A 28 10.443 -2.776 5.179 1.00 0.00 H new ATOM 0 HD2 PHE A 28 13.500 0.135 4.962 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.788 -3.318 2.764 1.00 0.00 H new ATOM 0 HE2 PHE A 28 13.846 -0.410 2.546 1.00 0.00 H new ATOM 0 HZ PHE A 28 12.484 -2.130 1.475 1.00 0.00 H new ATOM 417 N GLN A 29 14.440 -0.561 7.445 1.00 0.00 N ATOM 418 CA GLN A 29 15.857 -0.302 7.255 1.00 0.00 C ATOM 419 C GLN A 29 16.692 -1.310 8.046 1.00 0.00 C ATOM 420 O GLN A 29 17.305 -2.206 7.466 1.00 0.00 O ATOM 421 CB GLN A 29 16.210 1.133 7.652 1.00 0.00 C ATOM 422 CG GLN A 29 15.864 2.113 6.530 1.00 0.00 C ATOM 423 CD GLN A 29 16.481 1.667 5.202 1.00 0.00 C ATOM 424 OE1 GLN A 29 17.679 1.464 5.082 1.00 0.00 O ATOM 425 NE2 GLN A 29 15.600 1.526 4.216 1.00 0.00 N ATOM 0 H GLN A 29 13.869 0.272 7.586 1.00 0.00 H new ATOM 0 HA GLN A 29 16.089 -0.419 6.196 1.00 0.00 H new ATOM 0 HB2 GLN A 29 15.670 1.407 8.558 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.273 1.199 7.883 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.781 2.185 6.426 1.00 0.00 H new ATOM 0 HG3 GLN A 29 16.226 3.108 6.787 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.611 1.712 4.385 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.913 1.231 3.291 1.00 0.00 H new ATOM 434 N SER A 30 16.689 -1.133 9.359 1.00 0.00 N ATOM 435 CA SER A 30 17.439 -2.016 10.236 1.00 0.00 C ATOM 436 C SER A 30 17.302 -3.465 9.761 1.00 0.00 C ATOM 437 O SER A 30 18.274 -4.069 9.314 1.00 0.00 O ATOM 438 CB SER A 30 16.967 -1.885 11.685 1.00 0.00 C ATOM 439 OG SER A 30 18.047 -1.978 12.610 1.00 0.00 O ATOM 0 H SER A 30 16.179 -0.390 9.837 1.00 0.00 H new ATOM 0 HA SER A 30 18.489 -1.725 10.198 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.459 -0.929 11.816 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.237 -2.666 11.900 1.00 0.00 H new ATOM 0 HG SER A 30 17.704 -1.888 13.524 1.00 0.00 H new ATOM 445 N GLU A 31 16.086 -3.977 9.876 1.00 0.00 N ATOM 446 CA GLU A 31 15.808 -5.343 9.464 1.00 0.00 C ATOM 447 C GLU A 31 16.482 -5.641 8.122 1.00 0.00 C ATOM 448 O GLU A 31 16.862 -6.779 7.854 1.00 0.00 O ATOM 449 CB GLU A 31 14.301 -5.598 9.389 1.00 0.00 C ATOM 450 CG GLU A 31 13.671 -5.578 10.782 1.00 0.00 C ATOM 451 CD GLU A 31 13.541 -6.996 11.345 1.00 0.00 C ATOM 452 OE1 GLU A 31 14.586 -7.679 11.407 1.00 0.00 O ATOM 453 OE2 GLU A 31 12.400 -7.363 11.700 1.00 0.00 O ATOM 0 H GLU A 31 15.282 -3.471 10.248 1.00 0.00 H new ATOM 0 HA GLU A 31 16.220 -6.018 10.214 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.831 -4.840 8.763 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.115 -6.562 8.916 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.280 -4.971 11.452 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.688 -5.110 10.734 1.00 0.00 H new ATOM 460 N GLN A 32 16.610 -4.597 7.317 1.00 0.00 N ATOM 461 CA GLN A 32 17.232 -4.732 6.011 1.00 0.00 C ATOM 462 C GLN A 32 18.706 -5.112 6.161 1.00 0.00 C ATOM 463 O GLN A 32 19.125 -6.179 5.716 1.00 0.00 O ATOM 464 CB GLN A 32 17.076 -3.448 5.194 1.00 0.00 C ATOM 465 CG GLN A 32 16.920 -3.761 3.704 1.00 0.00 C ATOM 466 CD GLN A 32 16.622 -2.491 2.905 1.00 0.00 C ATOM 467 OE1 GLN A 32 17.254 -1.461 3.069 1.00 0.00 O ATOM 468 NE2 GLN A 32 15.626 -2.621 2.034 1.00 0.00 N ATOM 0 H GLN A 32 16.294 -3.654 7.544 1.00 0.00 H new ATOM 0 HA GLN A 32 16.725 -5.531 5.470 1.00 0.00 H new ATOM 0 HB2 GLN A 32 16.206 -2.893 5.545 1.00 0.00 H new ATOM 0 HB3 GLN A 32 17.945 -2.808 5.346 1.00 0.00 H new ATOM 0 HG2 GLN A 32 17.832 -4.225 3.329 1.00 0.00 H new ATOM 0 HG3 GLN A 32 16.114 -4.481 3.563 1.00 0.00 H new ATOM 0 HE21 GLN A 32 15.138 -3.512 1.947 1.00 0.00 H new ATOM 0 HE22 GLN A 32 15.350 -1.829 1.453 1.00 0.00 H new ATOM 477 N ALA A 33 19.453 -4.216 6.791 1.00 0.00 N ATOM 478 CA ALA A 33 20.872 -4.442 7.005 1.00 0.00 C ATOM 479 C ALA A 33 21.055 -5.590 8.001 1.00 0.00 C ATOM 480 O ALA A 33 22.166 -6.086 8.184 1.00 0.00 O ATOM 481 CB ALA A 33 21.530 -3.146 7.482 1.00 0.00 C ATOM 0 H ALA A 33 19.102 -3.332 7.160 1.00 0.00 H new ATOM 0 HA ALA A 33 21.360 -4.731 6.074 1.00 0.00 H new ATOM 0 HB1 ALA A 33 22.595 -3.316 7.642 1.00 0.00 H new ATOM 0 HB2 ALA A 33 21.396 -2.371 6.728 1.00 0.00 H new ATOM 0 HB3 ALA A 33 21.069 -2.826 8.416 1.00 0.00 H new ATOM 487 N ALA A 34 19.949 -5.978 8.617 1.00 0.00 N ATOM 488 CA ALA A 34 19.974 -7.058 9.590 1.00 0.00 C ATOM 489 C ALA A 34 20.151 -8.391 8.861 1.00 0.00 C ATOM 490 O ALA A 34 20.764 -9.317 9.390 1.00 0.00 O ATOM 491 CB ALA A 34 18.696 -7.019 10.430 1.00 0.00 C ATOM 0 H ALA A 34 19.030 -5.565 8.462 1.00 0.00 H new ATOM 0 HA ALA A 34 20.816 -6.940 10.272 1.00 0.00 H new ATOM 0 HB1 ALA A 34 18.715 -7.829 11.159 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.632 -6.063 10.950 1.00 0.00 H new ATOM 0 HB3 ALA A 34 17.829 -7.137 9.780 1.00 0.00 H new ATOM 497 N GLY A 35 19.603 -8.448 7.655 1.00 0.00 N ATOM 498 CA GLY A 35 19.693 -9.653 6.847 1.00 0.00 C ATOM 499 C GLY A 35 18.611 -9.670 5.766 1.00 0.00 C ATOM 500 O GLY A 35 18.800 -10.258 4.703 1.00 0.00 O ATOM 0 H GLY A 35 19.095 -7.679 7.218 1.00 0.00 H new ATOM 0 HA2 GLY A 35 20.677 -9.711 6.382 1.00 0.00 H new ATOM 0 HA3 GLY A 35 19.589 -10.531 7.484 1.00 0.00 H new ATOM 504 N SER A 36 17.499 -9.017 6.076 1.00 0.00 N ATOM 505 CA SER A 36 16.387 -8.950 5.143 1.00 0.00 C ATOM 506 C SER A 36 15.116 -8.517 5.876 1.00 0.00 C ATOM 507 O SER A 36 14.783 -9.065 6.925 1.00 0.00 O ATOM 508 CB SER A 36 16.168 -10.296 4.450 1.00 0.00 C ATOM 509 OG SER A 36 16.851 -10.371 3.202 1.00 0.00 O ATOM 0 H SER A 36 17.345 -8.531 6.959 1.00 0.00 H new ATOM 0 HA SER A 36 16.626 -8.213 4.377 1.00 0.00 H new ATOM 0 HB2 SER A 36 16.513 -11.099 5.101 1.00 0.00 H new ATOM 0 HB3 SER A 36 15.101 -10.452 4.289 1.00 0.00 H new ATOM 0 HG SER A 36 17.817 -10.303 3.353 1.00 0.00 H new ATOM 515 N VAL A 37 14.440 -7.536 5.294 1.00 0.00 N ATOM 516 CA VAL A 37 13.213 -7.023 5.879 1.00 0.00 C ATOM 517 C VAL A 37 12.121 -8.090 5.780 1.00 0.00 C ATOM 518 O VAL A 37 11.949 -8.712 4.732 1.00 0.00 O ATOM 519 CB VAL A 37 12.824 -5.706 5.206 1.00 0.00 C ATOM 520 CG1 VAL A 37 11.389 -5.312 5.561 1.00 0.00 C ATOM 521 CG2 VAL A 37 13.805 -4.591 5.574 1.00 0.00 C ATOM 0 H VAL A 37 14.719 -7.083 4.424 1.00 0.00 H new ATOM 0 HA VAL A 37 13.357 -6.802 6.937 1.00 0.00 H new ATOM 0 HB VAL A 37 12.874 -5.854 4.127 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.138 -4.372 5.070 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.704 -6.091 5.226 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.301 -5.192 6.641 1.00 0.00 H new ATOM 0 HG21 VAL A 37 13.505 -3.666 5.082 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.802 -4.445 6.654 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.808 -4.867 5.248 1.00 0.00 H new ATOM 531 N SER A 38 11.412 -8.270 6.883 1.00 0.00 N ATOM 532 CA SER A 38 10.341 -9.251 6.934 1.00 0.00 C ATOM 533 C SER A 38 9.085 -8.691 6.263 1.00 0.00 C ATOM 534 O SER A 38 8.878 -7.478 6.240 1.00 0.00 O ATOM 535 CB SER A 38 10.035 -9.659 8.377 1.00 0.00 C ATOM 536 OG SER A 38 11.204 -10.085 9.071 1.00 0.00 O ATOM 0 H SER A 38 11.558 -7.753 7.750 1.00 0.00 H new ATOM 0 HA SER A 38 10.667 -10.141 6.395 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.587 -8.817 8.905 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.300 -10.463 8.378 1.00 0.00 H new ATOM 0 HG SER A 38 10.967 -10.335 9.988 1.00 0.00 H new ATOM 542 N LYS A 39 8.280 -9.600 5.734 1.00 0.00 N ATOM 543 CA LYS A 39 7.050 -9.211 5.064 1.00 0.00 C ATOM 544 C LYS A 39 6.288 -8.218 5.943 1.00 0.00 C ATOM 545 O LYS A 39 5.928 -7.132 5.490 1.00 0.00 O ATOM 546 CB LYS A 39 6.233 -10.448 4.684 1.00 0.00 C ATOM 547 CG LYS A 39 6.999 -11.327 3.694 1.00 0.00 C ATOM 548 CD LYS A 39 6.050 -12.265 2.945 1.00 0.00 C ATOM 549 CE LYS A 39 5.781 -13.534 3.755 1.00 0.00 C ATOM 550 NZ LYS A 39 6.672 -14.630 3.313 1.00 0.00 N ATOM 0 H LYS A 39 8.455 -10.605 5.755 1.00 0.00 H new ATOM 0 HA LYS A 39 7.272 -8.703 4.126 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.998 -11.023 5.580 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.284 -10.141 4.245 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.532 -10.698 2.981 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.749 -11.912 4.226 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.110 -11.752 2.744 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.482 -12.530 1.980 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.937 -13.336 4.815 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.740 -13.834 3.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.476 -15.484 3.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.503 -14.830 2.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.664 -14.347 3.448 1.00 0.00 H new ATOM 564 N SER A 40 6.065 -8.624 7.185 1.00 0.00 N ATOM 565 CA SER A 40 5.352 -7.783 8.131 1.00 0.00 C ATOM 566 C SER A 40 5.870 -6.346 8.046 1.00 0.00 C ATOM 567 O SER A 40 5.104 -5.421 7.777 1.00 0.00 O ATOM 568 CB SER A 40 5.495 -8.315 9.557 1.00 0.00 C ATOM 569 OG SER A 40 5.099 -9.680 9.660 1.00 0.00 O ATOM 0 H SER A 40 6.366 -9.525 7.558 1.00 0.00 H new ATOM 0 HA SER A 40 4.293 -7.797 7.872 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.531 -8.213 9.880 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.890 -7.710 10.232 1.00 0.00 H new ATOM 0 HG SER A 40 5.207 -9.983 10.586 1.00 0.00 H new ATOM 575 N THR A 41 7.166 -6.202 8.282 1.00 0.00 N ATOM 576 CA THR A 41 7.795 -4.894 8.235 1.00 0.00 C ATOM 577 C THR A 41 7.630 -4.271 6.848 1.00 0.00 C ATOM 578 O THR A 41 7.510 -3.053 6.720 1.00 0.00 O ATOM 579 CB THR A 41 9.256 -5.056 8.659 1.00 0.00 C ATOM 580 OG1 THR A 41 9.183 -5.343 10.053 1.00 0.00 O ATOM 581 CG2 THR A 41 10.035 -3.741 8.589 1.00 0.00 C ATOM 0 H THR A 41 7.798 -6.971 8.506 1.00 0.00 H new ATOM 0 HA THR A 41 7.316 -4.201 8.926 1.00 0.00 H new ATOM 0 HB THR A 41 9.739 -5.798 8.023 1.00 0.00 H new ATOM 0 HG1 THR A 41 10.088 -5.465 10.410 1.00 0.00 H new ATOM 0 HG21 THR A 41 11.066 -3.912 8.900 1.00 0.00 H new ATOM 0 HG22 THR A 41 10.022 -3.365 7.566 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.573 -3.009 9.251 1.00 0.00 H new ATOM 589 N GLN A 42 7.630 -5.135 5.843 1.00 0.00 N ATOM 590 CA GLN A 42 7.481 -4.685 4.469 1.00 0.00 C ATOM 591 C GLN A 42 6.092 -4.082 4.255 1.00 0.00 C ATOM 592 O GLN A 42 5.965 -2.893 3.965 1.00 0.00 O ATOM 593 CB GLN A 42 7.740 -5.829 3.487 1.00 0.00 C ATOM 594 CG GLN A 42 8.016 -5.292 2.081 1.00 0.00 C ATOM 595 CD GLN A 42 9.029 -6.173 1.347 1.00 0.00 C ATOM 596 OE1 GLN A 42 9.829 -6.874 1.944 1.00 0.00 O ATOM 597 NE2 GLN A 42 8.950 -6.098 0.021 1.00 0.00 N ATOM 0 H GLN A 42 7.731 -6.144 5.953 1.00 0.00 H new ATOM 0 HA GLN A 42 8.224 -3.911 4.278 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.590 -6.420 3.828 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.877 -6.495 3.463 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.086 -5.251 1.514 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.395 -4.272 2.145 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.256 -5.491 -0.415 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.583 -6.648 -0.560 1.00 0.00 H new ATOM 606 N PHE A 43 5.084 -4.928 4.408 1.00 0.00 N ATOM 607 CA PHE A 43 3.708 -4.494 4.235 1.00 0.00 C ATOM 608 C PHE A 43 3.389 -3.309 5.148 1.00 0.00 C ATOM 609 O PHE A 43 2.656 -2.400 4.759 1.00 0.00 O ATOM 610 CB PHE A 43 2.815 -5.675 4.620 1.00 0.00 C ATOM 611 CG PHE A 43 1.413 -5.269 5.079 1.00 0.00 C ATOM 612 CD1 PHE A 43 0.420 -5.102 4.165 1.00 0.00 C ATOM 613 CD2 PHE A 43 1.159 -5.077 6.401 1.00 0.00 C ATOM 614 CE1 PHE A 43 -0.882 -4.727 4.592 1.00 0.00 C ATOM 615 CE2 PHE A 43 -0.142 -4.702 6.828 1.00 0.00 C ATOM 616 CZ PHE A 43 -1.135 -4.535 5.914 1.00 0.00 C ATOM 0 H PHE A 43 5.193 -5.913 4.650 1.00 0.00 H new ATOM 0 HA PHE A 43 3.543 -4.179 3.205 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.727 -6.345 3.765 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.299 -6.239 5.418 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.621 -5.254 3.115 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.948 -5.210 7.127 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.671 -4.594 3.866 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.343 -4.549 7.878 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.125 -4.250 6.238 1.00 0.00 H new ATOM 626 N GLU A 44 3.955 -3.356 6.345 1.00 0.00 N ATOM 627 CA GLU A 44 3.740 -2.297 7.316 1.00 0.00 C ATOM 628 C GLU A 44 4.239 -0.961 6.765 1.00 0.00 C ATOM 629 O GLU A 44 3.445 -0.134 6.318 1.00 0.00 O ATOM 630 CB GLU A 44 4.417 -2.628 8.648 1.00 0.00 C ATOM 631 CG GLU A 44 3.535 -3.545 9.498 1.00 0.00 C ATOM 632 CD GLU A 44 4.234 -3.915 10.809 1.00 0.00 C ATOM 633 OE1 GLU A 44 5.380 -4.407 10.722 1.00 0.00 O ATOM 634 OE2 GLU A 44 3.605 -3.698 11.867 1.00 0.00 O ATOM 0 H GLU A 44 4.562 -4.111 6.664 1.00 0.00 H new ATOM 0 HA GLU A 44 2.669 -2.214 7.501 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.377 -3.110 8.462 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.623 -1.707 9.194 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.589 -3.049 9.713 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.300 -4.450 8.939 1.00 0.00 H new ATOM 641 N TYR A 45 5.552 -0.790 6.813 1.00 0.00 N ATOM 642 CA TYR A 45 6.167 0.432 6.324 1.00 0.00 C ATOM 643 C TYR A 45 5.556 0.855 4.986 1.00 0.00 C ATOM 644 O TYR A 45 5.313 2.039 4.757 1.00 0.00 O ATOM 645 CB TYR A 45 7.646 0.104 6.114 1.00 0.00 C ATOM 646 CG TYR A 45 8.467 1.266 5.549 1.00 0.00 C ATOM 647 CD1 TYR A 45 8.535 2.462 6.236 1.00 0.00 C ATOM 648 CD2 TYR A 45 9.138 1.119 4.352 1.00 0.00 C ATOM 649 CE1 TYR A 45 9.307 3.554 5.704 1.00 0.00 C ATOM 650 CE2 TYR A 45 9.910 2.213 3.821 1.00 0.00 C ATOM 651 CZ TYR A 45 9.956 3.376 4.523 1.00 0.00 C ATOM 652 OH TYR A 45 10.685 4.409 4.021 1.00 0.00 O ATOM 0 H TYR A 45 6.207 -1.478 7.183 1.00 0.00 H new ATOM 0 HA TYR A 45 6.016 1.248 7.031 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.078 -0.204 7.066 1.00 0.00 H new ATOM 0 HB3 TYR A 45 7.726 -0.747 5.438 1.00 0.00 H new ATOM 0 HD1 TYR A 45 8.009 2.578 7.172 1.00 0.00 H new ATOM 0 HD2 TYR A 45 9.084 0.184 3.814 1.00 0.00 H new ATOM 0 HE1 TYR A 45 9.369 4.494 6.232 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.441 2.111 2.886 1.00 0.00 H new ATOM 0 HH TYR A 45 11.094 4.139 3.173 1.00 0.00 H new ATOM 662 N ALA A 46 5.325 -0.135 4.138 1.00 0.00 N ATOM 663 CA ALA A 46 4.747 0.119 2.829 1.00 0.00 C ATOM 664 C ALA A 46 3.366 0.754 3.001 1.00 0.00 C ATOM 665 O ALA A 46 3.069 1.780 2.390 1.00 0.00 O ATOM 666 CB ALA A 46 4.694 -1.185 2.031 1.00 0.00 C ATOM 0 H ALA A 46 5.528 -1.116 4.331 1.00 0.00 H new ATOM 0 HA ALA A 46 5.365 0.819 2.267 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.260 -0.994 1.049 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.703 -1.580 1.911 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.081 -1.912 2.563 1.00 0.00 H new ATOM 672 N TRP A 47 2.557 0.119 3.837 1.00 0.00 N ATOM 673 CA TRP A 47 1.214 0.609 4.097 1.00 0.00 C ATOM 674 C TRP A 47 1.330 2.021 4.676 1.00 0.00 C ATOM 675 O TRP A 47 0.499 2.882 4.392 1.00 0.00 O ATOM 676 CB TRP A 47 0.449 -0.350 5.010 1.00 0.00 C ATOM 677 CG TRP A 47 -0.915 0.176 5.463 1.00 0.00 C ATOM 678 CD1 TRP A 47 -1.398 0.251 6.710 1.00 0.00 C ATOM 679 CD2 TRP A 47 -1.958 0.703 4.615 1.00 0.00 C ATOM 680 NE1 TRP A 47 -2.671 0.784 6.728 1.00 0.00 N ATOM 681 CE2 TRP A 47 -3.022 1.068 5.414 1.00 0.00 C ATOM 682 CE3 TRP A 47 -2.000 0.866 3.219 1.00 0.00 C ATOM 683 CZ2 TRP A 47 -4.206 1.618 4.909 1.00 0.00 C ATOM 684 CZ3 TRP A 47 -3.191 1.418 2.731 1.00 0.00 C ATOM 685 CH2 TRP A 47 -4.271 1.790 3.521 1.00 0.00 C ATOM 0 H TRP A 47 2.806 -0.731 4.343 1.00 0.00 H new ATOM 0 HA TRP A 47 0.635 0.657 3.175 1.00 0.00 H new ATOM 0 HB2 TRP A 47 0.307 -1.296 4.488 1.00 0.00 H new ATOM 0 HB3 TRP A 47 1.057 -0.560 5.890 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -0.859 -0.066 7.591 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -3.248 0.941 7.554 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -1.179 0.588 2.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.026 1.895 5.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.276 1.565 1.664 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.156 2.210 3.067 1.00 0.00 H new ATOM 696 N CYS A 48 2.367 2.214 5.477 1.00 0.00 N ATOM 697 CA CYS A 48 2.602 3.507 6.098 1.00 0.00 C ATOM 698 C CYS A 48 2.830 4.537 4.991 1.00 0.00 C ATOM 699 O CYS A 48 2.168 5.574 4.958 1.00 0.00 O ATOM 700 CB CYS A 48 3.774 3.457 7.081 1.00 0.00 C ATOM 701 SG CYS A 48 3.284 2.553 8.594 1.00 0.00 S ATOM 0 H CYS A 48 3.054 1.497 5.711 1.00 0.00 H new ATOM 0 HA CYS A 48 1.731 3.795 6.687 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.629 2.967 6.615 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.088 4.469 7.338 1.00 0.00 H new ATOM 0 HG CYS A 48 4.341 2.290 9.304 1.00 0.00 H new ATOM 707 N LEU A 49 3.766 4.217 4.111 1.00 0.00 N ATOM 708 CA LEU A 49 4.089 5.103 3.005 1.00 0.00 C ATOM 709 C LEU A 49 2.797 5.529 2.307 1.00 0.00 C ATOM 710 O LEU A 49 2.539 6.722 2.145 1.00 0.00 O ATOM 711 CB LEU A 49 5.105 4.444 2.070 1.00 0.00 C ATOM 712 CG LEU A 49 6.501 4.212 2.651 1.00 0.00 C ATOM 713 CD1 LEU A 49 7.300 3.236 1.786 1.00 0.00 C ATOM 714 CD2 LEU A 49 7.238 5.538 2.850 1.00 0.00 C ATOM 0 H LEU A 49 4.312 3.356 4.141 1.00 0.00 H new ATOM 0 HA LEU A 49 4.569 6.011 3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.703 3.483 1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.203 5.063 1.178 1.00 0.00 H new ATOM 0 HG LEU A 49 6.391 3.754 3.634 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.288 3.089 2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.778 2.280 1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.404 3.642 0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.228 5.346 3.264 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.338 6.046 1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.674 6.168 3.537 1.00 0.00 H new ATOM 726 N VAL A 50 2.019 4.533 1.910 1.00 0.00 N ATOM 727 CA VAL A 50 0.759 4.792 1.232 1.00 0.00 C ATOM 728 C VAL A 50 -0.226 5.422 2.219 1.00 0.00 C ATOM 729 O VAL A 50 -1.293 4.866 2.476 1.00 0.00 O ATOM 730 CB VAL A 50 0.231 3.502 0.600 1.00 0.00 C ATOM 731 CG1 VAL A 50 1.170 3.006 -0.501 1.00 0.00 C ATOM 732 CG2 VAL A 50 0.011 2.421 1.662 1.00 0.00 C ATOM 0 H VAL A 50 2.236 3.545 2.044 1.00 0.00 H new ATOM 0 HA VAL A 50 0.901 5.502 0.418 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.733 3.724 0.143 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.771 2.088 -0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.254 3.766 -1.278 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.155 2.810 -0.078 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.364 1.515 1.186 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.955 2.204 2.162 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.715 2.773 2.395 1.00 0.00 H new ATOM 742 N ARG A 51 0.166 6.573 2.743 1.00 0.00 N ATOM 743 CA ARG A 51 -0.669 7.284 3.696 1.00 0.00 C ATOM 744 C ARG A 51 -0.068 8.656 4.010 1.00 0.00 C ATOM 745 O ARG A 51 -0.793 9.640 4.147 1.00 0.00 O ATOM 746 CB ARG A 51 -0.820 6.492 4.996 1.00 0.00 C ATOM 747 CG ARG A 51 -2.165 5.763 5.042 1.00 0.00 C ATOM 748 CD ARG A 51 -1.984 4.304 5.466 1.00 0.00 C ATOM 749 NE ARG A 51 -1.172 4.234 6.702 1.00 0.00 N ATOM 750 CZ ARG A 51 -1.639 4.522 7.924 1.00 0.00 C ATOM 751 NH1 ARG A 51 -2.914 4.902 8.083 1.00 0.00 N ATOM 752 NH2 ARG A 51 -0.830 4.431 8.989 1.00 0.00 N ATOM 0 H ARG A 51 1.051 7.031 2.526 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.653 7.409 3.244 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.008 5.770 5.082 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.739 7.167 5.848 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.833 6.268 5.740 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.639 5.804 4.061 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.957 3.842 5.633 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.497 3.742 4.669 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.196 3.949 6.618 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.530 4.972 7.273 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.269 5.121 9.014 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.141 4.143 8.869 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.185 4.650 9.920 1.00 0.00 H new ATOM 766 N SER A 52 1.253 8.676 4.114 1.00 0.00 N ATOM 767 CA SER A 52 1.961 9.911 4.408 1.00 0.00 C ATOM 768 C SER A 52 1.317 11.077 3.654 1.00 0.00 C ATOM 769 O SER A 52 0.613 10.868 2.667 1.00 0.00 O ATOM 770 CB SER A 52 3.442 9.798 4.042 1.00 0.00 C ATOM 771 OG SER A 52 4.083 11.070 4.010 1.00 0.00 O ATOM 0 H SER A 52 1.851 7.858 4.000 1.00 0.00 H new ATOM 0 HA SER A 52 1.892 10.097 5.480 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.946 9.156 4.765 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.539 9.319 3.068 1.00 0.00 H new ATOM 0 HG SER A 52 5.041 10.949 3.843 1.00 0.00 H new ATOM 777 N LYS A 53 1.580 12.277 4.150 1.00 0.00 N ATOM 778 CA LYS A 53 1.034 13.476 3.536 1.00 0.00 C ATOM 779 C LYS A 53 1.705 13.699 2.179 1.00 0.00 C ATOM 780 O LYS A 53 1.294 14.572 1.416 1.00 0.00 O ATOM 781 CB LYS A 53 1.157 14.669 4.486 1.00 0.00 C ATOM 782 CG LYS A 53 2.605 14.858 4.944 1.00 0.00 C ATOM 783 CD LYS A 53 3.171 16.185 4.435 1.00 0.00 C ATOM 784 CE LYS A 53 3.712 17.029 5.591 1.00 0.00 C ATOM 785 NZ LYS A 53 3.486 18.469 5.333 1.00 0.00 N ATOM 0 H LYS A 53 2.164 12.445 4.970 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.033 13.356 3.349 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.809 15.573 3.987 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.515 14.516 5.353 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.652 14.832 6.033 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.217 14.033 4.578 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.968 15.993 3.716 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.393 16.738 3.909 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.222 16.739 6.521 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.778 16.840 5.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.859 19.027 6.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.973 18.745 4.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.466 18.648 5.233 1.00 0.00 H new ATOM 799 N TYR A 54 2.725 12.894 1.919 1.00 0.00 N ATOM 800 CA TYR A 54 3.457 12.993 0.668 1.00 0.00 C ATOM 801 C TYR A 54 3.011 11.908 -0.315 1.00 0.00 C ATOM 802 O TYR A 54 2.407 10.913 0.085 1.00 0.00 O ATOM 803 CB TYR A 54 4.929 12.771 1.020 1.00 0.00 C ATOM 804 CG TYR A 54 5.670 14.046 1.429 1.00 0.00 C ATOM 805 CD1 TYR A 54 5.521 14.552 2.704 1.00 0.00 C ATOM 806 CD2 TYR A 54 6.486 14.690 0.521 1.00 0.00 C ATOM 807 CE1 TYR A 54 6.219 15.752 3.087 1.00 0.00 C ATOM 808 CE2 TYR A 54 7.184 15.889 0.905 1.00 0.00 C ATOM 809 CZ TYR A 54 7.016 16.361 2.169 1.00 0.00 C ATOM 810 OH TYR A 54 7.675 17.494 2.531 1.00 0.00 O ATOM 0 H TYR A 54 3.062 12.170 2.554 1.00 0.00 H new ATOM 0 HA TYR A 54 3.282 13.960 0.197 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.992 12.049 1.834 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.435 12.329 0.162 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.882 14.049 3.414 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.601 14.294 -0.477 1.00 0.00 H new ATOM 0 HE1 TYR A 54 6.112 16.159 4.082 1.00 0.00 H new ATOM 0 HE2 TYR A 54 7.827 16.402 0.205 1.00 0.00 H new ATOM 0 HH TYR A 54 8.207 17.819 1.775 1.00 0.00 H new ATOM 820 N ASN A 55 3.325 12.137 -1.581 1.00 0.00 N ATOM 821 CA ASN A 55 2.966 11.190 -2.624 1.00 0.00 C ATOM 822 C ASN A 55 4.132 10.228 -2.859 1.00 0.00 C ATOM 823 O ASN A 55 3.922 9.068 -3.211 1.00 0.00 O ATOM 824 CB ASN A 55 2.673 11.909 -3.942 1.00 0.00 C ATOM 825 CG ASN A 55 3.751 12.952 -4.249 1.00 0.00 C ATOM 826 OD1 ASN A 55 3.909 13.941 -3.554 1.00 0.00 O ATOM 827 ND2 ASN A 55 4.479 12.675 -5.328 1.00 0.00 N ATOM 0 H ASN A 55 3.824 12.964 -1.909 1.00 0.00 H new ATOM 0 HA ASN A 55 2.075 10.653 -2.299 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.623 11.183 -4.753 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.698 12.394 -3.887 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.223 13.310 -5.618 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.293 11.828 -5.865 1.00 0.00 H new ATOM 834 N GLU A 56 5.335 10.745 -2.656 1.00 0.00 N ATOM 835 CA GLU A 56 6.534 9.946 -2.840 1.00 0.00 C ATOM 836 C GLU A 56 6.395 8.604 -2.120 1.00 0.00 C ATOM 837 O GLU A 56 6.582 7.548 -2.723 1.00 0.00 O ATOM 838 CB GLU A 56 7.775 10.701 -2.360 1.00 0.00 C ATOM 839 CG GLU A 56 8.775 10.896 -3.501 1.00 0.00 C ATOM 840 CD GLU A 56 10.206 10.991 -2.966 1.00 0.00 C ATOM 841 OE1 GLU A 56 10.815 9.916 -2.782 1.00 0.00 O ATOM 842 OE2 GLU A 56 10.656 12.138 -2.753 1.00 0.00 O ATOM 0 H GLU A 56 5.505 11.708 -2.366 1.00 0.00 H new ATOM 0 HA GLU A 56 6.657 9.752 -3.905 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.482 11.671 -1.959 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.248 10.150 -1.547 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.699 10.064 -4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.529 11.802 -4.054 1.00 0.00 H new ATOM 849 N ASP A 57 6.065 8.688 -0.839 1.00 0.00 N ATOM 850 CA ASP A 57 5.898 7.493 -0.029 1.00 0.00 C ATOM 851 C ASP A 57 5.001 6.500 -0.771 1.00 0.00 C ATOM 852 O ASP A 57 5.375 5.345 -0.965 1.00 0.00 O ATOM 853 CB ASP A 57 5.233 7.823 1.309 1.00 0.00 C ATOM 854 CG ASP A 57 6.192 8.262 2.417 1.00 0.00 C ATOM 855 OD1 ASP A 57 7.375 8.494 2.085 1.00 0.00 O ATOM 856 OD2 ASP A 57 5.721 8.356 3.570 1.00 0.00 O ATOM 0 H ASP A 57 5.909 9.565 -0.342 1.00 0.00 H new ATOM 0 HA ASP A 57 6.885 7.069 0.154 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.501 8.614 1.148 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.684 6.946 1.651 1.00 0.00 H new ATOM 861 N ILE A 58 3.834 6.988 -1.166 1.00 0.00 N ATOM 862 CA ILE A 58 2.880 6.158 -1.882 1.00 0.00 C ATOM 863 C ILE A 58 3.608 5.393 -2.990 1.00 0.00 C ATOM 864 O ILE A 58 3.238 4.265 -3.316 1.00 0.00 O ATOM 865 CB ILE A 58 1.708 7.003 -2.387 1.00 0.00 C ATOM 866 CG1 ILE A 58 0.807 7.436 -1.229 1.00 0.00 C ATOM 867 CG2 ILE A 58 0.927 6.263 -3.475 1.00 0.00 C ATOM 868 CD1 ILE A 58 0.121 8.770 -1.537 1.00 0.00 C ATOM 0 H ILE A 58 3.528 7.947 -1.004 1.00 0.00 H new ATOM 0 HA ILE A 58 2.444 5.416 -1.214 1.00 0.00 H new ATOM 0 HB ILE A 58 2.110 7.909 -2.840 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.054 6.670 -1.043 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.399 7.529 -0.318 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.100 6.885 -3.816 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.588 6.046 -4.314 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.536 5.329 -3.071 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.514 9.055 -0.698 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.877 9.539 -1.698 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.489 8.667 -2.434 1.00 0.00 H new ATOM 880 N ARG A 59 4.629 6.036 -3.537 1.00 0.00 N ATOM 881 CA ARG A 59 5.411 5.430 -4.601 1.00 0.00 C ATOM 882 C ARG A 59 6.270 4.292 -4.045 1.00 0.00 C ATOM 883 O ARG A 59 6.231 3.173 -4.556 1.00 0.00 O ATOM 884 CB ARG A 59 6.318 6.461 -5.274 1.00 0.00 C ATOM 885 CG ARG A 59 6.617 6.067 -6.722 1.00 0.00 C ATOM 886 CD ARG A 59 7.572 7.067 -7.377 1.00 0.00 C ATOM 887 NE ARG A 59 6.849 7.868 -8.390 1.00 0.00 N ATOM 888 CZ ARG A 59 7.450 8.619 -9.324 1.00 0.00 C ATOM 889 NH1 ARG A 59 8.787 8.678 -9.377 1.00 0.00 N ATOM 890 NH2 ARG A 59 6.714 9.312 -10.202 1.00 0.00 N ATOM 0 H ARG A 59 4.933 6.970 -3.263 1.00 0.00 H new ATOM 0 HA ARG A 59 4.715 5.037 -5.342 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.840 7.441 -5.251 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.251 6.548 -4.717 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.056 5.069 -6.748 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.687 6.021 -7.289 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.000 7.724 -6.619 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.402 6.537 -7.845 1.00 0.00 H new ATOM 0 HE ARG A 59 5.829 7.847 -8.377 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.348 8.152 -8.707 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.245 9.249 -10.087 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.696 9.269 -10.160 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.172 9.883 -10.912 1.00 0.00 H new ATOM 904 N ARG A 60 7.027 4.616 -3.007 1.00 0.00 N ATOM 905 CA ARG A 60 7.893 3.635 -2.376 1.00 0.00 C ATOM 906 C ARG A 60 7.093 2.767 -1.403 1.00 0.00 C ATOM 907 O ARG A 60 7.669 2.000 -0.633 1.00 0.00 O ATOM 908 CB ARG A 60 9.037 4.315 -1.622 1.00 0.00 C ATOM 909 CG ARG A 60 8.500 5.325 -0.607 1.00 0.00 C ATOM 910 CD ARG A 60 9.038 6.729 -0.893 1.00 0.00 C ATOM 911 NE ARG A 60 10.481 6.663 -1.211 1.00 0.00 N ATOM 912 CZ ARG A 60 11.442 6.442 -0.304 1.00 0.00 C ATOM 913 NH1 ARG A 60 11.117 6.265 0.985 1.00 0.00 N ATOM 914 NH2 ARG A 60 12.726 6.398 -0.683 1.00 0.00 N ATOM 0 H ARG A 60 7.058 5.545 -2.587 1.00 0.00 H new ATOM 0 HA ARG A 60 8.314 3.009 -3.163 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.637 3.563 -1.110 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.695 4.820 -2.330 1.00 0.00 H new ATOM 0 HG2 ARG A 60 7.411 5.335 -0.640 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.785 5.021 0.400 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.494 7.173 -1.726 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.877 7.372 -0.028 1.00 0.00 H new ATOM 0 HE ARG A 60 10.762 6.794 -2.183 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.139 6.299 1.274 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.848 6.097 1.677 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.973 6.533 -1.663 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.456 6.230 0.009 1.00 0.00 H new ATOM 928 N GLY A 61 5.778 2.918 -1.469 1.00 0.00 N ATOM 929 CA GLY A 61 4.894 2.159 -0.602 1.00 0.00 C ATOM 930 C GLY A 61 4.133 1.094 -1.394 1.00 0.00 C ATOM 931 O GLY A 61 3.947 -0.025 -0.918 1.00 0.00 O ATOM 0 H GLY A 61 5.304 3.555 -2.110 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.474 1.684 0.189 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.187 2.832 -0.118 1.00 0.00 H new ATOM 935 N ILE A 62 3.712 1.479 -2.590 1.00 0.00 N ATOM 936 CA ILE A 62 2.975 0.571 -3.453 1.00 0.00 C ATOM 937 C ILE A 62 3.912 -0.535 -3.943 1.00 0.00 C ATOM 938 O ILE A 62 3.570 -1.715 -3.883 1.00 0.00 O ATOM 939 CB ILE A 62 2.292 1.343 -4.583 1.00 0.00 C ATOM 940 CG1 ILE A 62 1.276 2.343 -4.029 1.00 0.00 C ATOM 941 CG2 ILE A 62 1.660 0.386 -5.597 1.00 0.00 C ATOM 942 CD1 ILE A 62 0.940 3.417 -5.066 1.00 0.00 C ATOM 0 H ILE A 62 3.867 2.408 -2.982 1.00 0.00 H new ATOM 0 HA ILE A 62 2.172 0.086 -2.898 1.00 0.00 H new ATOM 0 HB ILE A 62 3.053 1.917 -5.112 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.367 1.818 -3.736 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.676 2.813 -3.130 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.181 0.960 -6.390 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.433 -0.251 -6.027 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.915 -0.234 -5.097 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.216 4.115 -4.646 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.847 3.956 -5.338 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.518 2.946 -5.954 1.00 0.00 H new ATOM 954 N VAL A 63 5.077 -0.114 -4.414 1.00 0.00 N ATOM 955 CA VAL A 63 6.066 -1.054 -4.913 1.00 0.00 C ATOM 956 C VAL A 63 6.212 -2.209 -3.920 1.00 0.00 C ATOM 957 O VAL A 63 6.044 -3.371 -4.287 1.00 0.00 O ATOM 958 CB VAL A 63 7.386 -0.330 -5.185 1.00 0.00 C ATOM 959 CG1 VAL A 63 7.212 0.742 -6.263 1.00 0.00 C ATOM 960 CG2 VAL A 63 7.955 0.274 -3.899 1.00 0.00 C ATOM 0 H VAL A 63 5.358 0.865 -4.460 1.00 0.00 H new ATOM 0 HA VAL A 63 5.743 -1.480 -5.863 1.00 0.00 H new ATOM 0 HB VAL A 63 8.101 -1.065 -5.556 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.165 1.241 -6.437 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.872 0.276 -7.188 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.474 1.473 -5.933 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.893 0.783 -4.120 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.243 0.989 -3.487 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.135 -0.519 -3.173 1.00 0.00 H new ATOM 970 N LEU A 64 6.522 -1.850 -2.683 1.00 0.00 N ATOM 971 CA LEU A 64 6.691 -2.842 -1.636 1.00 0.00 C ATOM 972 C LEU A 64 5.489 -3.788 -1.637 1.00 0.00 C ATOM 973 O LEU A 64 5.636 -4.984 -1.888 1.00 0.00 O ATOM 974 CB LEU A 64 6.937 -2.161 -0.288 1.00 0.00 C ATOM 975 CG LEU A 64 7.828 -0.918 -0.316 1.00 0.00 C ATOM 976 CD1 LEU A 64 8.130 -0.426 1.101 1.00 0.00 C ATOM 977 CD2 LEU A 64 9.106 -1.178 -1.117 1.00 0.00 C ATOM 0 H LEU A 64 6.661 -0.885 -2.383 1.00 0.00 H new ATOM 0 HA LEU A 64 7.575 -3.450 -1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.973 -1.883 0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.385 -2.889 0.388 1.00 0.00 H new ATOM 0 HG LEU A 64 7.285 -0.121 -0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.765 0.458 1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.197 -0.175 1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.643 -1.211 1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.722 -0.279 -1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.662 -1.996 -0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.846 -1.444 -2.141 1.00 0.00 H new ATOM 989 N LEU A 65 4.327 -3.219 -1.352 1.00 0.00 N ATOM 990 CA LEU A 65 3.101 -3.998 -1.318 1.00 0.00 C ATOM 991 C LEU A 65 2.960 -4.778 -2.626 1.00 0.00 C ATOM 992 O LEU A 65 2.439 -5.892 -2.635 1.00 0.00 O ATOM 993 CB LEU A 65 1.903 -3.097 -1.007 1.00 0.00 C ATOM 994 CG LEU A 65 1.160 -3.396 0.297 1.00 0.00 C ATOM 995 CD1 LEU A 65 2.130 -3.463 1.478 1.00 0.00 C ATOM 996 CD2 LEU A 65 0.038 -2.383 0.533 1.00 0.00 C ATOM 0 H LEU A 65 4.209 -2.228 -1.143 1.00 0.00 H new ATOM 0 HA LEU A 65 3.138 -4.731 -0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.249 -2.064 -0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.194 -3.171 -1.831 1.00 0.00 H new ATOM 0 HG LEU A 65 0.694 -4.377 0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.576 -3.677 2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.861 -4.252 1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.645 -2.508 1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.474 -2.618 1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.460 -1.380 0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.673 -2.428 -0.292 1.00 0.00 H new ATOM 1008 N GLU A 66 3.434 -4.163 -3.700 1.00 0.00 N ATOM 1009 CA GLU A 66 3.367 -4.786 -5.010 1.00 0.00 C ATOM 1010 C GLU A 66 4.337 -5.967 -5.085 1.00 0.00 C ATOM 1011 O GLU A 66 4.229 -6.807 -5.978 1.00 0.00 O ATOM 1012 CB GLU A 66 3.653 -3.769 -6.116 1.00 0.00 C ATOM 1013 CG GLU A 66 2.371 -3.058 -6.553 1.00 0.00 C ATOM 1014 CD GLU A 66 2.622 -2.180 -7.781 1.00 0.00 C ATOM 1015 OE1 GLU A 66 3.463 -1.264 -7.662 1.00 0.00 O ATOM 1016 OE2 GLU A 66 1.967 -2.447 -8.812 1.00 0.00 O ATOM 0 H GLU A 66 3.866 -3.239 -3.689 1.00 0.00 H new ATOM 0 HA GLU A 66 2.355 -5.162 -5.162 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.377 -3.035 -5.762 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.103 -4.273 -6.971 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.601 -3.796 -6.780 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.994 -2.445 -5.734 1.00 0.00 H new ATOM 1023 N GLU A 67 5.262 -5.994 -4.138 1.00 0.00 N ATOM 1024 CA GLU A 67 6.250 -7.058 -4.086 1.00 0.00 C ATOM 1025 C GLU A 67 5.753 -8.201 -3.199 1.00 0.00 C ATOM 1026 O GLU A 67 6.080 -9.363 -3.437 1.00 0.00 O ATOM 1027 CB GLU A 67 7.599 -6.530 -3.595 1.00 0.00 C ATOM 1028 CG GLU A 67 8.488 -6.119 -4.771 1.00 0.00 C ATOM 1029 CD GLU A 67 9.759 -6.970 -4.820 1.00 0.00 C ATOM 1030 OE1 GLU A 67 10.212 -7.377 -3.728 1.00 0.00 O ATOM 1031 OE2 GLU A 67 10.248 -7.195 -5.949 1.00 0.00 O ATOM 0 H GLU A 67 5.349 -5.296 -3.400 1.00 0.00 H new ATOM 0 HA GLU A 67 6.393 -7.443 -5.095 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.441 -5.675 -2.937 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.101 -7.297 -3.006 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.936 -6.229 -5.705 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.754 -5.066 -4.680 1.00 0.00 H new ATOM 1038 N LEU A 68 4.971 -7.831 -2.196 1.00 0.00 N ATOM 1039 CA LEU A 68 4.426 -8.812 -1.272 1.00 0.00 C ATOM 1040 C LEU A 68 3.182 -9.453 -1.890 1.00 0.00 C ATOM 1041 O LEU A 68 2.763 -10.532 -1.474 1.00 0.00 O ATOM 1042 CB LEU A 68 4.173 -8.176 0.097 1.00 0.00 C ATOM 1043 CG LEU A 68 5.314 -7.327 0.662 1.00 0.00 C ATOM 1044 CD1 LEU A 68 4.770 -6.124 1.435 1.00 0.00 C ATOM 1045 CD2 LEU A 68 6.259 -8.176 1.514 1.00 0.00 C ATOM 0 H LEU A 68 4.702 -6.866 -2.003 1.00 0.00 H new ATOM 0 HA LEU A 68 5.145 -9.612 -1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.282 -7.552 0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.950 -8.970 0.809 1.00 0.00 H new ATOM 0 HG LEU A 68 5.896 -6.937 -0.173 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.601 -5.537 1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.170 -5.504 0.769 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.151 -6.472 2.262 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.061 -7.548 1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.705 -8.614 2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.685 -8.971 0.902 1.00 0.00 H new ATOM 1057 N LEU A 69 2.626 -8.761 -2.873 1.00 0.00 N ATOM 1058 CA LEU A 69 1.438 -9.250 -3.554 1.00 0.00 C ATOM 1059 C LEU A 69 1.634 -10.722 -3.919 1.00 0.00 C ATOM 1060 O LEU A 69 0.891 -11.584 -3.453 1.00 0.00 O ATOM 1061 CB LEU A 69 1.102 -8.359 -4.752 1.00 0.00 C ATOM 1062 CG LEU A 69 -0.193 -7.552 -4.646 1.00 0.00 C ATOM 1063 CD1 LEU A 69 -1.370 -8.451 -4.261 1.00 0.00 C ATOM 1064 CD2 LEU A 69 -0.029 -6.377 -3.680 1.00 0.00 C ATOM 0 H LEU A 69 2.976 -7.866 -3.215 1.00 0.00 H new ATOM 0 HA LEU A 69 0.572 -9.197 -2.894 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.928 -7.664 -4.906 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.044 -8.987 -5.641 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.416 -7.133 -5.627 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.278 -7.852 -4.192 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.501 -9.223 -5.019 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.170 -8.919 -3.297 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.964 -5.820 -3.623 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.230 -6.753 -2.690 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.764 -5.720 -4.038 1.00 0.00 H new ATOM 1076 N PRO A 70 2.664 -10.972 -4.770 1.00 0.00 N ATOM 1077 CA PRO A 70 2.966 -12.326 -5.203 1.00 0.00 C ATOM 1078 C PRO A 70 3.652 -13.117 -4.086 1.00 0.00 C ATOM 1079 O PRO A 70 3.571 -14.344 -4.051 1.00 0.00 O ATOM 1080 CB PRO A 70 3.841 -12.159 -6.435 1.00 0.00 C ATOM 1081 CG PRO A 70 4.377 -10.738 -6.378 1.00 0.00 C ATOM 1082 CD PRO A 70 3.566 -9.975 -5.342 1.00 0.00 C ATOM 0 HA PRO A 70 2.071 -12.902 -5.441 1.00 0.00 H new ATOM 0 HB2 PRO A 70 4.655 -12.884 -6.436 1.00 0.00 H new ATOM 0 HB3 PRO A 70 3.267 -12.323 -7.347 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.434 -10.739 -6.110 1.00 0.00 H new ATOM 0 HG3 PRO A 70 4.296 -10.260 -7.354 1.00 0.00 H new ATOM 0 HD2 PRO A 70 4.210 -9.539 -4.578 1.00 0.00 H new ATOM 0 HD3 PRO A 70 3.012 -9.155 -5.798 1.00 0.00 H new ATOM 1090 N LYS A 71 4.312 -12.383 -3.202 1.00 0.00 N ATOM 1091 CA LYS A 71 5.010 -13.000 -2.089 1.00 0.00 C ATOM 1092 C LYS A 71 4.089 -13.029 -0.867 1.00 0.00 C ATOM 1093 O LYS A 71 4.560 -13.070 0.269 1.00 0.00 O ATOM 1094 CB LYS A 71 6.345 -12.297 -1.837 1.00 0.00 C ATOM 1095 CG LYS A 71 7.331 -12.567 -2.975 1.00 0.00 C ATOM 1096 CD LYS A 71 8.765 -12.251 -2.546 1.00 0.00 C ATOM 1097 CE LYS A 71 9.559 -11.634 -3.698 1.00 0.00 C ATOM 1098 NZ LYS A 71 11.010 -11.859 -3.508 1.00 0.00 N ATOM 0 H LYS A 71 4.378 -11.366 -3.235 1.00 0.00 H new ATOM 0 HA LYS A 71 5.261 -14.034 -2.324 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.182 -11.224 -1.739 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.769 -12.642 -0.894 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.261 -13.611 -3.281 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.066 -11.962 -3.842 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.752 -11.564 -1.700 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.257 -13.163 -2.208 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.238 -12.071 -4.644 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.355 -10.565 -3.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.534 -11.434 -4.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.315 -11.421 -2.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.202 -12.881 -3.476 1.00 0.00 H new ATOM 1112 N GLY A 72 2.794 -13.005 -1.142 1.00 0.00 N ATOM 1113 CA GLY A 72 1.802 -13.027 -0.079 1.00 0.00 C ATOM 1114 C GLY A 72 1.501 -14.461 0.360 1.00 0.00 C ATOM 1115 O GLY A 72 2.288 -15.371 0.103 1.00 0.00 O ATOM 0 H GLY A 72 2.408 -12.971 -2.085 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.163 -12.450 0.773 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.885 -12.548 -0.422 1.00 0.00 H new ATOM 1119 N SER A 73 0.360 -14.618 1.015 1.00 0.00 N ATOM 1120 CA SER A 73 -0.054 -15.926 1.492 1.00 0.00 C ATOM 1121 C SER A 73 -1.406 -16.302 0.882 1.00 0.00 C ATOM 1122 O SER A 73 -1.539 -17.353 0.256 1.00 0.00 O ATOM 1123 CB SER A 73 -0.136 -15.955 3.019 1.00 0.00 C ATOM 1124 OG SER A 73 0.112 -17.256 3.543 1.00 0.00 O ATOM 0 H SER A 73 -0.290 -13.861 1.226 1.00 0.00 H new ATOM 0 HA SER A 73 0.694 -16.655 1.181 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.587 -15.253 3.434 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.124 -15.619 3.335 1.00 0.00 H new ATOM 0 HG SER A 73 0.052 -17.232 4.521 1.00 0.00 H new ATOM 1130 N LYS A 74 -2.376 -15.422 1.084 1.00 0.00 N ATOM 1131 CA LYS A 74 -3.713 -15.649 0.561 1.00 0.00 C ATOM 1132 C LYS A 74 -4.625 -14.499 0.992 1.00 0.00 C ATOM 1133 O LYS A 74 -5.002 -13.660 0.176 1.00 0.00 O ATOM 1134 CB LYS A 74 -4.224 -17.030 0.976 1.00 0.00 C ATOM 1135 CG LYS A 74 -4.795 -17.787 -0.224 1.00 0.00 C ATOM 1136 CD LYS A 74 -5.855 -18.797 0.218 1.00 0.00 C ATOM 1137 CE LYS A 74 -5.887 -20.005 -0.720 1.00 0.00 C ATOM 1138 NZ LYS A 74 -6.475 -21.178 -0.035 1.00 0.00 N ATOM 0 H LYS A 74 -2.263 -14.551 1.602 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.701 -15.655 -0.529 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.411 -17.604 1.419 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.992 -16.922 1.742 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.233 -17.080 -0.929 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.991 -18.304 -0.748 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.645 -19.128 1.235 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.834 -18.318 0.234 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.469 -19.766 -1.610 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.876 -20.240 -1.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.489 -21.989 -0.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.903 -21.415 0.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.447 -20.956 0.262 1.00 0.00 H new ATOM 1152 N GLU A 75 -4.955 -14.498 2.276 1.00 0.00 N ATOM 1153 CA GLU A 75 -5.817 -13.465 2.826 1.00 0.00 C ATOM 1154 C GLU A 75 -5.034 -12.162 3.010 1.00 0.00 C ATOM 1155 O GLU A 75 -5.606 -11.138 3.380 1.00 0.00 O ATOM 1156 CB GLU A 75 -6.443 -13.920 4.146 1.00 0.00 C ATOM 1157 CG GLU A 75 -7.794 -14.595 3.908 1.00 0.00 C ATOM 1158 CD GLU A 75 -8.719 -14.412 5.113 1.00 0.00 C ATOM 1159 OE1 GLU A 75 -8.802 -13.261 5.595 1.00 0.00 O ATOM 1160 OE2 GLU A 75 -9.322 -15.425 5.525 1.00 0.00 O ATOM 0 H GLU A 75 -4.641 -15.196 2.951 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.628 -13.282 2.121 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.770 -14.613 4.652 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.572 -13.062 4.806 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.263 -14.175 3.018 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.645 -15.658 3.718 1.00 0.00 H new ATOM 1167 N GLU A 76 -3.739 -12.246 2.744 1.00 0.00 N ATOM 1168 CA GLU A 76 -2.873 -11.086 2.876 1.00 0.00 C ATOM 1169 C GLU A 76 -2.875 -10.273 1.580 1.00 0.00 C ATOM 1170 O GLU A 76 -2.495 -9.102 1.577 1.00 0.00 O ATOM 1171 CB GLU A 76 -1.452 -11.505 3.257 1.00 0.00 C ATOM 1172 CG GLU A 76 -1.333 -11.729 4.766 1.00 0.00 C ATOM 1173 CD GLU A 76 -0.033 -11.131 5.308 1.00 0.00 C ATOM 1174 OE1 GLU A 76 0.107 -9.893 5.210 1.00 0.00 O ATOM 1175 OE2 GLU A 76 0.792 -11.926 5.809 1.00 0.00 O ATOM 0 H GLU A 76 -3.269 -13.098 2.438 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.259 -10.457 3.678 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.184 -12.419 2.728 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.746 -10.736 2.943 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.185 -11.276 5.273 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.364 -12.797 4.982 1.00 0.00 H new ATOM 1182 N GLN A 77 -3.308 -10.924 0.510 1.00 0.00 N ATOM 1183 CA GLN A 77 -3.366 -10.274 -0.788 1.00 0.00 C ATOM 1184 C GLN A 77 -4.545 -9.301 -0.844 1.00 0.00 C ATOM 1185 O GLN A 77 -4.535 -8.352 -1.626 1.00 0.00 O ATOM 1186 CB GLN A 77 -3.454 -11.307 -1.914 1.00 0.00 C ATOM 1187 CG GLN A 77 -2.078 -11.562 -2.532 1.00 0.00 C ATOM 1188 CD GLN A 77 -2.208 -12.058 -3.974 1.00 0.00 C ATOM 1189 OE1 GLN A 77 -3.065 -11.629 -4.730 1.00 0.00 O ATOM 1190 NE2 GLN A 77 -1.313 -12.982 -4.312 1.00 0.00 N ATOM 0 H GLN A 77 -3.622 -11.895 0.516 1.00 0.00 H new ATOM 0 HA GLN A 77 -2.446 -9.707 -0.929 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -3.861 -12.241 -1.525 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -4.142 -10.955 -2.682 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.490 -10.644 -2.511 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -1.539 -12.299 -1.937 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.623 -13.297 -3.630 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -1.317 -13.376 -5.253 1.00 0.00 H new ATOM 1199 N ARG A 78 -5.533 -9.570 -0.004 1.00 0.00 N ATOM 1200 CA ARG A 78 -6.717 -8.730 0.053 1.00 0.00 C ATOM 1201 C ARG A 78 -6.385 -7.386 0.704 1.00 0.00 C ATOM 1202 O ARG A 78 -6.733 -6.332 0.175 1.00 0.00 O ATOM 1203 CB ARG A 78 -7.837 -9.409 0.843 1.00 0.00 C ATOM 1204 CG ARG A 78 -8.539 -10.474 -0.002 1.00 0.00 C ATOM 1205 CD ARG A 78 -7.767 -11.794 0.026 1.00 0.00 C ATOM 1206 NE ARG A 78 -8.711 -12.930 0.120 1.00 0.00 N ATOM 1207 CZ ARG A 78 -9.588 -13.096 1.120 1.00 0.00 C ATOM 1208 NH1 ARG A 78 -9.647 -12.203 2.116 1.00 0.00 N ATOM 1209 NH2 ARG A 78 -10.405 -14.158 1.123 1.00 0.00 N ATOM 0 H ARG A 78 -5.538 -10.358 0.643 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.057 -8.567 -0.970 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.426 -9.867 1.743 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.561 -8.662 1.168 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.550 -10.632 0.373 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.631 -10.125 -1.030 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.159 -11.889 -0.874 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.083 -11.807 0.875 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.693 -13.630 -0.622 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.024 -11.395 2.114 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.315 -12.330 2.876 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.359 -14.839 0.365 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.073 -14.286 1.883 1.00 0.00 H new ATOM 1223 N ASP A 79 -5.714 -7.468 1.844 1.00 0.00 N ATOM 1224 CA ASP A 79 -5.330 -6.271 2.574 1.00 0.00 C ATOM 1225 C ASP A 79 -4.296 -5.492 1.759 1.00 0.00 C ATOM 1226 O ASP A 79 -4.121 -4.291 1.957 1.00 0.00 O ATOM 1227 CB ASP A 79 -4.700 -6.627 3.922 1.00 0.00 C ATOM 1228 CG ASP A 79 -5.550 -6.278 5.145 1.00 0.00 C ATOM 1229 OD1 ASP A 79 -5.544 -5.084 5.518 1.00 0.00 O ATOM 1230 OD2 ASP A 79 -6.186 -7.211 5.680 1.00 0.00 O ATOM 0 H ASP A 79 -5.427 -8.344 2.280 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.227 -5.675 2.742 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.491 -7.697 3.937 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.742 -6.113 4.005 1.00 0.00 H new ATOM 1235 N TYR A 80 -3.637 -6.207 0.859 1.00 0.00 N ATOM 1236 CA TYR A 80 -2.625 -5.599 0.013 1.00 0.00 C ATOM 1237 C TYR A 80 -3.267 -4.729 -1.070 1.00 0.00 C ATOM 1238 O TYR A 80 -3.287 -3.505 -0.956 1.00 0.00 O ATOM 1239 CB TYR A 80 -1.880 -6.756 -0.654 1.00 0.00 C ATOM 1240 CG TYR A 80 -0.895 -7.477 0.269 1.00 0.00 C ATOM 1241 CD1 TYR A 80 -0.695 -7.021 1.556 1.00 0.00 C ATOM 1242 CD2 TYR A 80 -0.206 -8.583 -0.186 1.00 0.00 C ATOM 1243 CE1 TYR A 80 0.232 -7.698 2.424 1.00 0.00 C ATOM 1244 CE2 TYR A 80 0.722 -9.261 0.682 1.00 0.00 C ATOM 1245 CZ TYR A 80 0.895 -8.785 1.945 1.00 0.00 C ATOM 1246 OH TYR A 80 1.771 -9.425 2.765 1.00 0.00 O ATOM 0 H TYR A 80 -3.785 -7.203 0.697 1.00 0.00 H new ATOM 0 HA TYR A 80 -1.965 -4.962 0.602 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.608 -7.477 -1.026 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.338 -6.375 -1.520 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -1.234 -6.156 1.912 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.363 -8.940 -1.193 1.00 0.00 H new ATOM 0 HE1 TYR A 80 0.398 -7.351 3.433 1.00 0.00 H new ATOM 0 HE2 TYR A 80 1.268 -10.127 0.338 1.00 0.00 H new ATOM 0 HH TYR A 80 1.331 -9.633 3.615 1.00 0.00 H new ATOM 1256 N VAL A 81 -3.775 -5.396 -2.096 1.00 0.00 N ATOM 1257 CA VAL A 81 -4.415 -4.699 -3.198 1.00 0.00 C ATOM 1258 C VAL A 81 -5.215 -3.516 -2.652 1.00 0.00 C ATOM 1259 O VAL A 81 -5.062 -2.389 -3.120 1.00 0.00 O ATOM 1260 CB VAL A 81 -5.269 -5.676 -4.008 1.00 0.00 C ATOM 1261 CG1 VAL A 81 -5.889 -4.985 -5.225 1.00 0.00 C ATOM 1262 CG2 VAL A 81 -4.453 -6.900 -4.430 1.00 0.00 C ATOM 0 H VAL A 81 -3.756 -6.412 -2.187 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.667 -4.297 -3.882 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.081 -6.020 -3.367 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -6.491 -5.702 -5.783 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.521 -4.161 -4.893 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.097 -4.599 -5.867 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.084 -7.578 -5.004 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.610 -6.582 -5.044 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.082 -7.414 -3.543 1.00 0.00 H new ATOM 1272 N PHE A 82 -6.053 -3.813 -1.669 1.00 0.00 N ATOM 1273 CA PHE A 82 -6.878 -2.787 -1.054 1.00 0.00 C ATOM 1274 C PHE A 82 -6.098 -1.481 -0.889 1.00 0.00 C ATOM 1275 O PHE A 82 -6.649 -0.397 -1.075 1.00 0.00 O ATOM 1276 CB PHE A 82 -7.280 -3.305 0.329 1.00 0.00 C ATOM 1277 CG PHE A 82 -8.050 -2.290 1.174 1.00 0.00 C ATOM 1278 CD1 PHE A 82 -9.044 -1.551 0.611 1.00 0.00 C ATOM 1279 CD2 PHE A 82 -7.743 -2.126 2.489 1.00 0.00 C ATOM 1280 CE1 PHE A 82 -9.760 -0.608 1.396 1.00 0.00 C ATOM 1281 CE2 PHE A 82 -8.459 -1.184 3.274 1.00 0.00 C ATOM 1282 CZ PHE A 82 -9.451 -0.445 2.711 1.00 0.00 C ATOM 0 H PHE A 82 -6.178 -4.749 -1.284 1.00 0.00 H new ATOM 0 HA PHE A 82 -7.746 -2.584 -1.681 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.891 -4.199 0.207 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.382 -3.604 0.869 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.289 -1.681 -0.433 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.954 -2.713 2.936 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.549 -0.021 0.949 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -8.215 -1.055 4.318 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.995 0.272 3.308 1.00 0.00 H new ATOM 1292 N TYR A 83 -4.828 -1.627 -0.542 1.00 0.00 N ATOM 1293 CA TYR A 83 -3.966 -0.473 -0.350 1.00 0.00 C ATOM 1294 C TYR A 83 -3.389 0.007 -1.683 1.00 0.00 C ATOM 1295 O TYR A 83 -3.414 1.200 -1.979 1.00 0.00 O ATOM 1296 CB TYR A 83 -2.822 -0.946 0.547 1.00 0.00 C ATOM 1297 CG TYR A 83 -3.237 -1.222 1.994 1.00 0.00 C ATOM 1298 CD1 TYR A 83 -4.513 -0.911 2.417 1.00 0.00 C ATOM 1299 CD2 TYR A 83 -2.336 -1.782 2.876 1.00 0.00 C ATOM 1300 CE1 TYR A 83 -4.904 -1.171 3.777 1.00 0.00 C ATOM 1301 CE2 TYR A 83 -2.727 -2.042 4.237 1.00 0.00 C ATOM 1302 CZ TYR A 83 -3.992 -1.723 4.621 1.00 0.00 C ATOM 1303 OH TYR A 83 -4.362 -1.968 5.907 1.00 0.00 O ATOM 0 H TYR A 83 -4.375 -2.528 -0.389 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.524 0.355 0.087 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -2.394 -1.854 0.123 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -2.036 -0.191 0.543 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -5.219 -0.472 1.727 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -1.337 -2.025 2.545 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.900 -0.933 4.120 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -2.031 -2.480 4.937 1.00 0.00 H new ATOM 0 HH TYR A 83 -3.995 -1.272 6.491 1.00 0.00 H new ATOM 1313 N LEU A 84 -2.883 -0.947 -2.451 1.00 0.00 N ATOM 1314 CA LEU A 84 -2.301 -0.636 -3.745 1.00 0.00 C ATOM 1315 C LEU A 84 -3.229 0.316 -4.501 1.00 0.00 C ATOM 1316 O LEU A 84 -2.766 1.207 -5.212 1.00 0.00 O ATOM 1317 CB LEU A 84 -1.981 -1.920 -4.511 1.00 0.00 C ATOM 1318 CG LEU A 84 -0.724 -2.670 -4.067 1.00 0.00 C ATOM 1319 CD1 LEU A 84 -0.978 -3.452 -2.776 1.00 0.00 C ATOM 1320 CD2 LEU A 84 -0.197 -3.569 -5.187 1.00 0.00 C ATOM 0 H LEU A 84 -2.864 -1.936 -2.202 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.348 -0.121 -3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.833 -2.594 -4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.879 -1.673 -5.568 1.00 0.00 H new ATOM 0 HG LEU A 84 0.052 -1.936 -3.851 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.068 -3.976 -2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.271 -2.762 -1.984 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.776 -4.176 -2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.697 -4.090 -4.845 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.961 -4.298 -5.458 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.049 -2.960 -6.057 1.00 0.00 H new ATOM 1332 N ALA A 85 -4.523 0.097 -4.323 1.00 0.00 N ATOM 1333 CA ALA A 85 -5.521 0.924 -4.980 1.00 0.00 C ATOM 1334 C ALA A 85 -5.604 2.276 -4.268 1.00 0.00 C ATOM 1335 O ALA A 85 -5.811 3.307 -4.908 1.00 0.00 O ATOM 1336 CB ALA A 85 -6.863 0.190 -4.995 1.00 0.00 C ATOM 0 H ALA A 85 -4.904 -0.642 -3.732 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.241 1.113 -6.016 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.612 0.810 -5.488 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.757 -0.750 -5.536 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.178 -0.014 -3.972 1.00 0.00 H new ATOM 1342 N VAL A 86 -5.438 2.229 -2.955 1.00 0.00 N ATOM 1343 CA VAL A 86 -5.492 3.438 -2.150 1.00 0.00 C ATOM 1344 C VAL A 86 -4.302 4.333 -2.503 1.00 0.00 C ATOM 1345 O VAL A 86 -4.461 5.542 -2.672 1.00 0.00 O ATOM 1346 CB VAL A 86 -5.548 3.075 -0.664 1.00 0.00 C ATOM 1347 CG1 VAL A 86 -5.019 4.222 0.201 1.00 0.00 C ATOM 1348 CG2 VAL A 86 -6.967 2.684 -0.248 1.00 0.00 C ATOM 0 H VAL A 86 -5.266 1.373 -2.428 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.399 4.002 -2.367 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.903 2.211 -0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.070 3.938 1.252 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.984 4.433 -0.068 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.626 5.112 0.036 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -6.979 2.431 0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.643 3.520 -0.429 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.292 1.822 -0.830 1.00 0.00 H new ATOM 1358 N GLY A 87 -3.140 3.707 -2.602 1.00 0.00 N ATOM 1359 CA GLY A 87 -1.925 4.432 -2.932 1.00 0.00 C ATOM 1360 C GLY A 87 -1.931 4.877 -4.396 1.00 0.00 C ATOM 1361 O GLY A 87 -1.613 6.025 -4.701 1.00 0.00 O ATOM 0 H GLY A 87 -3.013 2.705 -2.459 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -1.830 5.303 -2.284 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.058 3.799 -2.744 1.00 0.00 H new ATOM 1365 N ASN A 88 -2.298 3.944 -5.263 1.00 0.00 N ATOM 1366 CA ASN A 88 -2.350 4.226 -6.687 1.00 0.00 C ATOM 1367 C ASN A 88 -3.312 5.389 -6.938 1.00 0.00 C ATOM 1368 O ASN A 88 -2.985 6.323 -7.669 1.00 0.00 O ATOM 1369 CB ASN A 88 -2.861 3.014 -7.469 1.00 0.00 C ATOM 1370 CG ASN A 88 -1.720 2.042 -7.780 1.00 0.00 C ATOM 1371 OD1 ASN A 88 -0.642 2.425 -8.204 1.00 0.00 O ATOM 1372 ND2 ASN A 88 -2.018 0.767 -7.546 1.00 0.00 N ATOM 0 H ASN A 88 -2.562 2.993 -5.006 1.00 0.00 H new ATOM 0 HA ASN A 88 -1.341 4.472 -7.019 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.632 2.503 -6.892 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.325 3.345 -8.398 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -1.324 0.040 -7.722 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -2.941 0.516 -7.191 1.00 0.00 H new ATOM 1379 N TYR A 89 -4.479 5.295 -6.317 1.00 0.00 N ATOM 1380 CA TYR A 89 -5.490 6.328 -6.464 1.00 0.00 C ATOM 1381 C TYR A 89 -4.919 7.706 -6.126 1.00 0.00 C ATOM 1382 O TYR A 89 -5.144 8.671 -6.856 1.00 0.00 O ATOM 1383 CB TYR A 89 -6.592 5.986 -5.460 1.00 0.00 C ATOM 1384 CG TYR A 89 -7.418 7.191 -5.007 1.00 0.00 C ATOM 1385 CD1 TYR A 89 -8.366 7.733 -5.851 1.00 0.00 C ATOM 1386 CD2 TYR A 89 -7.216 7.736 -3.756 1.00 0.00 C ATOM 1387 CE1 TYR A 89 -9.144 8.868 -5.426 1.00 0.00 C ATOM 1388 CE2 TYR A 89 -7.995 8.870 -3.330 1.00 0.00 C ATOM 1389 CZ TYR A 89 -8.921 9.380 -4.187 1.00 0.00 C ATOM 1390 OH TYR A 89 -9.655 10.452 -3.785 1.00 0.00 O ATOM 0 H TYR A 89 -4.747 4.519 -5.711 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.856 6.363 -7.490 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.259 5.248 -5.906 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.140 5.519 -4.585 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.524 7.306 -6.830 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.474 7.312 -3.096 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.888 9.303 -6.077 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.848 9.306 -2.353 1.00 0.00 H new ATOM 0 HH TYR A 89 -9.389 10.709 -2.878 1.00 0.00 H new ATOM 1400 N ARG A 90 -4.190 7.755 -5.021 1.00 0.00 N ATOM 1401 CA ARG A 90 -3.584 9.000 -4.578 1.00 0.00 C ATOM 1402 C ARG A 90 -2.757 9.618 -5.705 1.00 0.00 C ATOM 1403 O ARG A 90 -2.671 10.840 -5.819 1.00 0.00 O ATOM 1404 CB ARG A 90 -2.686 8.771 -3.361 1.00 0.00 C ATOM 1405 CG ARG A 90 -2.933 9.835 -2.289 1.00 0.00 C ATOM 1406 CD ARG A 90 -1.979 11.018 -2.460 1.00 0.00 C ATOM 1407 NE ARG A 90 -2.654 12.274 -2.063 1.00 0.00 N ATOM 1408 CZ ARG A 90 -2.869 12.643 -0.793 1.00 0.00 C ATOM 1409 NH1 ARG A 90 -2.465 11.854 0.212 1.00 0.00 N ATOM 1410 NH2 ARG A 90 -3.490 13.800 -0.528 1.00 0.00 N ATOM 0 H ARG A 90 -4.005 6.953 -4.419 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.388 9.681 -4.299 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.875 7.781 -2.946 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.640 8.794 -3.667 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.964 10.183 -2.348 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.801 9.397 -1.300 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.087 10.867 -1.852 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.651 11.084 -3.497 1.00 0.00 H new ATOM 0 HE ARG A 90 -2.976 12.898 -2.803 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -1.994 10.972 0.010 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.629 12.135 1.179 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.799 14.400 -1.293 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.654 14.081 0.439 1.00 0.00 H new ATOM 1424 N LEU A 91 -2.168 8.746 -6.512 1.00 0.00 N ATOM 1425 CA LEU A 91 -1.350 9.192 -7.627 1.00 0.00 C ATOM 1426 C LEU A 91 -2.233 9.361 -8.865 1.00 0.00 C ATOM 1427 O LEU A 91 -1.733 9.388 -9.989 1.00 0.00 O ATOM 1428 CB LEU A 91 -0.169 8.243 -7.838 1.00 0.00 C ATOM 1429 CG LEU A 91 0.622 7.868 -6.583 1.00 0.00 C ATOM 1430 CD1 LEU A 91 1.451 6.603 -6.816 1.00 0.00 C ATOM 1431 CD2 LEU A 91 1.483 9.039 -6.107 1.00 0.00 C ATOM 0 H LEU A 91 -2.241 7.733 -6.415 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.911 10.166 -7.413 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.542 7.327 -8.296 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.516 8.700 -8.552 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.087 7.646 -5.785 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.004 6.358 -5.909 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.789 5.776 -7.072 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.152 6.773 -7.633 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.035 8.746 -5.214 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.186 9.317 -6.893 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.843 9.890 -5.875 1.00 0.00 H new ATOM 1443 N LYS A 92 -3.529 9.468 -8.618 1.00 0.00 N ATOM 1444 CA LYS A 92 -4.486 9.633 -9.699 1.00 0.00 C ATOM 1445 C LYS A 92 -4.358 8.459 -10.672 1.00 0.00 C ATOM 1446 O LYS A 92 -4.750 8.564 -11.833 1.00 0.00 O ATOM 1447 CB LYS A 92 -4.316 11.002 -10.362 1.00 0.00 C ATOM 1448 CG LYS A 92 -5.435 11.267 -11.370 1.00 0.00 C ATOM 1449 CD LYS A 92 -4.898 11.253 -12.803 1.00 0.00 C ATOM 1450 CE LYS A 92 -5.479 12.411 -13.617 1.00 0.00 C ATOM 1451 NZ LYS A 92 -5.233 12.204 -15.062 1.00 0.00 N ATOM 0 H LYS A 92 -3.940 9.444 -7.685 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.504 9.617 -9.311 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.316 11.781 -9.600 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.350 11.049 -10.865 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -6.213 10.511 -11.262 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -5.897 12.232 -11.160 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -3.810 11.324 -12.788 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -5.150 10.306 -13.280 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -6.550 12.492 -13.432 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -5.029 13.350 -13.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.634 12.999 -15.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.209 12.150 -15.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -5.683 11.318 -15.367 1.00 0.00 H new ATOM 1465 N GLU A 93 -3.807 7.367 -10.162 1.00 0.00 N ATOM 1466 CA GLU A 93 -3.622 6.174 -10.971 1.00 0.00 C ATOM 1467 C GLU A 93 -4.864 5.283 -10.894 1.00 0.00 C ATOM 1468 O GLU A 93 -4.755 4.078 -10.677 1.00 0.00 O ATOM 1469 CB GLU A 93 -2.370 5.408 -10.539 1.00 0.00 C ATOM 1470 CG GLU A 93 -1.103 6.205 -10.856 1.00 0.00 C ATOM 1471 CD GLU A 93 -0.833 6.230 -12.361 1.00 0.00 C ATOM 1472 OE1 GLU A 93 -1.142 5.207 -13.010 1.00 0.00 O ATOM 1473 OE2 GLU A 93 -0.325 7.271 -12.830 1.00 0.00 O ATOM 0 H GLU A 93 -3.483 7.283 -9.199 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.482 6.479 -12.008 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.416 5.202 -9.470 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.335 4.445 -11.048 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.208 7.224 -10.485 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.252 5.763 -10.338 1.00 0.00 H new ATOM 1480 N TYR A 94 -6.016 5.912 -11.077 1.00 0.00 N ATOM 1481 CA TYR A 94 -7.277 5.191 -11.032 1.00 0.00 C ATOM 1482 C TYR A 94 -7.180 3.868 -11.794 1.00 0.00 C ATOM 1483 O TYR A 94 -7.576 2.822 -11.282 1.00 0.00 O ATOM 1484 CB TYR A 94 -8.303 6.091 -11.723 1.00 0.00 C ATOM 1485 CG TYR A 94 -8.311 7.533 -11.211 1.00 0.00 C ATOM 1486 CD1 TYR A 94 -7.798 7.825 -9.965 1.00 0.00 C ATOM 1487 CD2 TYR A 94 -8.832 8.542 -11.997 1.00 0.00 C ATOM 1488 CE1 TYR A 94 -7.806 9.182 -9.482 1.00 0.00 C ATOM 1489 CE2 TYR A 94 -8.839 9.899 -11.515 1.00 0.00 C ATOM 1490 CZ TYR A 94 -8.326 10.152 -10.282 1.00 0.00 C ATOM 1491 OH TYR A 94 -8.333 11.434 -9.827 1.00 0.00 O ATOM 0 H TYR A 94 -6.103 6.912 -11.257 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.550 4.960 -10.002 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -8.102 6.098 -12.794 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -9.296 5.663 -11.588 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.390 7.036 -9.351 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -9.234 8.313 -12.973 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.408 9.424 -8.507 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -9.243 10.698 -12.120 1.00 0.00 H new ATOM 0 HH TYR A 94 -9.160 11.877 -10.110 1.00 0.00 H new ATOM 1501 N GLU A 95 -6.653 3.958 -13.005 1.00 0.00 N ATOM 1502 CA GLU A 95 -6.499 2.781 -13.844 1.00 0.00 C ATOM 1503 C GLU A 95 -6.074 1.579 -12.999 1.00 0.00 C ATOM 1504 O GLU A 95 -6.875 0.682 -12.741 1.00 0.00 O ATOM 1505 CB GLU A 95 -5.498 3.039 -14.972 1.00 0.00 C ATOM 1506 CG GLU A 95 -6.099 3.959 -16.038 1.00 0.00 C ATOM 1507 CD GLU A 95 -7.261 3.276 -16.761 1.00 0.00 C ATOM 1508 OE1 GLU A 95 -6.969 2.475 -17.675 1.00 0.00 O ATOM 1509 OE2 GLU A 95 -8.415 3.570 -16.383 1.00 0.00 O ATOM 0 H GLU A 95 -6.327 4.828 -13.426 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.462 2.557 -14.302 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.594 3.491 -14.564 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.205 2.093 -15.426 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.447 4.881 -15.573 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.330 4.236 -16.759 1.00 0.00 H new ATOM 1516 N LYS A 96 -4.813 1.599 -12.591 1.00 0.00 N ATOM 1517 CA LYS A 96 -4.272 0.521 -11.779 1.00 0.00 C ATOM 1518 C LYS A 96 -5.180 0.295 -10.568 1.00 0.00 C ATOM 1519 O LYS A 96 -5.597 -0.831 -10.303 1.00 0.00 O ATOM 1520 CB LYS A 96 -2.816 0.808 -11.411 1.00 0.00 C ATOM 1521 CG LYS A 96 -1.884 0.515 -12.589 1.00 0.00 C ATOM 1522 CD LYS A 96 -2.102 1.518 -13.724 1.00 0.00 C ATOM 1523 CE LYS A 96 -1.024 1.372 -14.799 1.00 0.00 C ATOM 1524 NZ LYS A 96 -0.403 2.684 -15.091 1.00 0.00 N ATOM 0 H LYS A 96 -4.151 2.344 -12.807 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.256 -0.411 -12.344 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.712 1.851 -11.111 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.527 0.199 -10.554 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.847 0.557 -12.256 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -2.061 -0.497 -12.954 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.086 1.363 -14.167 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -2.088 2.532 -13.325 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.262 0.668 -14.465 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -1.462 0.960 -15.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.327 2.568 -15.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -1.131 3.345 -15.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.032 3.062 -14.226 1.00 0.00 H new ATOM 1538 N ALA A 97 -5.459 1.384 -9.867 1.00 0.00 N ATOM 1539 CA ALA A 97 -6.309 1.319 -8.691 1.00 0.00 C ATOM 1540 C ALA A 97 -7.448 0.328 -8.944 1.00 0.00 C ATOM 1541 O ALA A 97 -7.474 -0.755 -8.361 1.00 0.00 O ATOM 1542 CB ALA A 97 -6.821 2.720 -8.352 1.00 0.00 C ATOM 0 H ALA A 97 -5.111 2.316 -10.091 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.745 0.961 -7.830 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -7.459 2.671 -7.469 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.975 3.378 -8.152 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.394 3.111 -9.193 1.00 0.00 H new ATOM 1548 N LEU A 98 -8.360 0.734 -9.814 1.00 0.00 N ATOM 1549 CA LEU A 98 -9.497 -0.105 -10.152 1.00 0.00 C ATOM 1550 C LEU A 98 -9.008 -1.523 -10.455 1.00 0.00 C ATOM 1551 O LEU A 98 -9.374 -2.471 -9.763 1.00 0.00 O ATOM 1552 CB LEU A 98 -10.308 0.522 -11.289 1.00 0.00 C ATOM 1553 CG LEU A 98 -11.559 1.295 -10.872 1.00 0.00 C ATOM 1554 CD1 LEU A 98 -12.579 0.369 -10.206 1.00 0.00 C ATOM 1555 CD2 LEU A 98 -11.199 2.486 -9.981 1.00 0.00 C ATOM 0 H LEU A 98 -8.335 1.633 -10.295 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.181 -0.177 -9.306 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.656 1.197 -11.844 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.606 -0.270 -11.976 1.00 0.00 H new ATOM 0 HG LEU A 98 -12.026 1.697 -11.771 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -13.459 0.944 -9.919 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -12.870 -0.415 -10.905 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.135 -0.083 -9.319 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -12.108 3.018 -9.699 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.694 2.129 -9.083 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.538 3.161 -10.525 1.00 0.00 H new ATOM 1567 N LYS A 99 -8.188 -1.623 -11.492 1.00 0.00 N ATOM 1568 CA LYS A 99 -7.645 -2.909 -11.896 1.00 0.00 C ATOM 1569 C LYS A 99 -7.302 -3.726 -10.648 1.00 0.00 C ATOM 1570 O LYS A 99 -7.408 -4.951 -10.656 1.00 0.00 O ATOM 1571 CB LYS A 99 -6.465 -2.716 -12.849 1.00 0.00 C ATOM 1572 CG LYS A 99 -6.823 -3.172 -14.264 1.00 0.00 C ATOM 1573 CD LYS A 99 -5.617 -3.061 -15.199 1.00 0.00 C ATOM 1574 CE LYS A 99 -4.677 -4.256 -15.024 1.00 0.00 C ATOM 1575 NZ LYS A 99 -5.192 -5.433 -15.757 1.00 0.00 N ATOM 0 H LYS A 99 -7.887 -0.834 -12.064 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.387 -3.478 -12.456 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.173 -1.666 -12.864 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.605 -3.280 -12.488 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.174 -4.204 -14.239 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.643 -2.565 -14.649 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.957 -3.010 -16.233 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.078 -2.136 -14.995 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.682 -4.000 -15.389 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.577 -4.495 -13.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.896 -6.303 -15.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.231 -5.393 -15.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.812 -5.432 -16.725 1.00 0.00 H new ATOM 1589 N TYR A 100 -6.895 -3.014 -9.607 1.00 0.00 N ATOM 1590 CA TYR A 100 -6.535 -3.660 -8.355 1.00 0.00 C ATOM 1591 C TYR A 100 -7.758 -3.822 -7.451 1.00 0.00 C ATOM 1592 O TYR A 100 -7.923 -4.855 -6.804 1.00 0.00 O ATOM 1593 CB TYR A 100 -5.532 -2.726 -7.674 1.00 0.00 C ATOM 1594 CG TYR A 100 -4.097 -3.258 -7.659 1.00 0.00 C ATOM 1595 CD1 TYR A 100 -3.864 -4.608 -7.495 1.00 0.00 C ATOM 1596 CD2 TYR A 100 -3.037 -2.388 -7.810 1.00 0.00 C ATOM 1597 CE1 TYR A 100 -2.514 -5.109 -7.481 1.00 0.00 C ATOM 1598 CE2 TYR A 100 -1.686 -2.888 -7.796 1.00 0.00 C ATOM 1599 CZ TYR A 100 -1.492 -4.224 -7.632 1.00 0.00 C ATOM 1600 OH TYR A 100 -0.217 -4.697 -7.619 1.00 0.00 O ATOM 0 H TYR A 100 -6.807 -1.998 -9.604 1.00 0.00 H new ATOM 0 HA TYR A 100 -6.125 -4.653 -8.538 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -5.546 -1.762 -8.182 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -5.854 -2.550 -6.648 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -4.694 -5.289 -7.377 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -3.220 -1.331 -7.939 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -2.317 -6.163 -7.354 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.847 -2.218 -7.913 1.00 0.00 H new ATOM 0 HH TYR A 100 0.300 -4.264 -8.330 1.00 0.00 H new ATOM 1610 N VAL A 101 -8.584 -2.786 -7.434 1.00 0.00 N ATOM 1611 CA VAL A 101 -9.787 -2.801 -6.620 1.00 0.00 C ATOM 1612 C VAL A 101 -10.749 -3.863 -7.158 1.00 0.00 C ATOM 1613 O VAL A 101 -11.233 -4.706 -6.404 1.00 0.00 O ATOM 1614 CB VAL A 101 -10.406 -1.402 -6.573 1.00 0.00 C ATOM 1615 CG1 VAL A 101 -11.851 -1.426 -7.075 1.00 0.00 C ATOM 1616 CG2 VAL A 101 -10.324 -0.814 -5.164 1.00 0.00 C ATOM 0 H VAL A 101 -8.443 -1.930 -7.971 1.00 0.00 H new ATOM 0 HA VAL A 101 -9.548 -3.070 -5.591 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.831 -0.758 -7.238 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -12.268 -0.420 -7.031 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -11.873 -1.784 -8.104 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -12.443 -2.092 -6.447 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.771 0.180 -5.158 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.863 -1.458 -4.469 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.280 -0.744 -4.859 1.00 0.00 H new ATOM 1626 N ARG A 102 -10.997 -3.787 -8.457 1.00 0.00 N ATOM 1627 CA ARG A 102 -11.892 -4.731 -9.105 1.00 0.00 C ATOM 1628 C ARG A 102 -11.416 -6.165 -8.862 1.00 0.00 C ATOM 1629 O ARG A 102 -12.231 -7.075 -8.718 1.00 0.00 O ATOM 1630 CB ARG A 102 -11.967 -4.473 -10.611 1.00 0.00 C ATOM 1631 CG ARG A 102 -12.385 -3.030 -10.900 1.00 0.00 C ATOM 1632 CD ARG A 102 -13.834 -2.783 -10.477 1.00 0.00 C ATOM 1633 NE ARG A 102 -14.757 -3.237 -11.542 1.00 0.00 N ATOM 1634 CZ ARG A 102 -14.835 -2.678 -12.757 1.00 0.00 C ATOM 1635 NH1 ARG A 102 -14.047 -1.639 -13.069 1.00 0.00 N ATOM 1636 NH2 ARG A 102 -15.702 -3.156 -13.660 1.00 0.00 N ATOM 0 H ARG A 102 -10.594 -3.086 -9.079 1.00 0.00 H new ATOM 0 HA ARG A 102 -12.885 -4.597 -8.676 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -10.997 -4.673 -11.066 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -12.680 -5.160 -11.066 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -11.726 -2.343 -10.369 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -12.273 -2.821 -11.964 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -14.046 -3.315 -9.549 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -13.988 -1.722 -10.279 1.00 0.00 H new ATOM 0 HE ARG A 102 -15.372 -4.025 -11.338 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -13.388 -1.274 -12.381 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -14.107 -1.214 -13.994 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -16.303 -3.945 -13.422 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -15.761 -2.730 -14.585 1.00 0.00 H new ATOM 1650 N GLY A 103 -10.101 -6.320 -8.825 1.00 0.00 N ATOM 1651 CA GLY A 103 -9.508 -7.628 -8.604 1.00 0.00 C ATOM 1652 C GLY A 103 -9.547 -8.002 -7.121 1.00 0.00 C ATOM 1653 O GLY A 103 -9.333 -9.160 -6.764 1.00 0.00 O ATOM 0 H GLY A 103 -9.429 -5.562 -8.944 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -10.044 -8.378 -9.186 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -8.476 -7.628 -8.956 1.00 0.00 H new ATOM 1657 N LEU A 104 -9.820 -7.002 -6.297 1.00 0.00 N ATOM 1658 CA LEU A 104 -9.890 -7.212 -4.861 1.00 0.00 C ATOM 1659 C LEU A 104 -11.337 -7.509 -4.463 1.00 0.00 C ATOM 1660 O LEU A 104 -11.609 -8.508 -3.797 1.00 0.00 O ATOM 1661 CB LEU A 104 -9.280 -6.024 -4.116 1.00 0.00 C ATOM 1662 CG LEU A 104 -9.262 -6.127 -2.590 1.00 0.00 C ATOM 1663 CD1 LEU A 104 -10.603 -5.696 -1.995 1.00 0.00 C ATOM 1664 CD2 LEU A 104 -8.861 -7.533 -2.140 1.00 0.00 C ATOM 0 H LEU A 104 -9.996 -6.043 -6.596 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.295 -8.079 -4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.256 -5.890 -4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.831 -5.125 -4.393 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.506 -5.439 -2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.563 -5.779 -0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -10.809 -4.662 -2.273 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.395 -6.339 -2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.856 -7.579 -1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.575 -8.258 -2.531 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.865 -7.766 -2.517 1.00 0.00 H new ATOM 1676 N LEU A 105 -12.228 -6.626 -4.888 1.00 0.00 N ATOM 1677 CA LEU A 105 -13.640 -6.781 -4.584 1.00 0.00 C ATOM 1678 C LEU A 105 -14.066 -8.222 -4.878 1.00 0.00 C ATOM 1679 O LEU A 105 -15.010 -8.730 -4.276 1.00 0.00 O ATOM 1680 CB LEU A 105 -14.468 -5.731 -5.327 1.00 0.00 C ATOM 1681 CG LEU A 105 -14.600 -4.371 -4.640 1.00 0.00 C ATOM 1682 CD1 LEU A 105 -15.556 -4.450 -3.448 1.00 0.00 C ATOM 1683 CD2 LEU A 105 -13.229 -3.823 -4.240 1.00 0.00 C ATOM 0 H LEU A 105 -11.999 -5.800 -5.441 1.00 0.00 H new ATOM 0 HA LEU A 105 -13.822 -6.604 -3.524 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -14.025 -5.577 -6.311 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -15.468 -6.133 -5.488 1.00 0.00 H new ATOM 0 HG LEU A 105 -15.031 -3.668 -5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -15.632 -3.470 -2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -16.541 -4.765 -3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -15.177 -5.172 -2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -13.352 -2.855 -3.754 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -12.747 -4.517 -3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -12.610 -3.706 -5.130 1.00 0.00 H new ATOM 1695 N GLN A 106 -13.348 -8.838 -5.805 1.00 0.00 N ATOM 1696 CA GLN A 106 -13.638 -10.209 -6.188 1.00 0.00 C ATOM 1697 C GLN A 106 -13.765 -11.092 -4.944 1.00 0.00 C ATOM 1698 O GLN A 106 -14.851 -11.578 -4.630 1.00 0.00 O ATOM 1699 CB GLN A 106 -12.570 -10.753 -7.139 1.00 0.00 C ATOM 1700 CG GLN A 106 -13.151 -11.004 -8.531 1.00 0.00 C ATOM 1701 CD GLN A 106 -13.007 -12.475 -8.927 1.00 0.00 C ATOM 1702 OE1 GLN A 106 -12.118 -13.180 -8.480 1.00 0.00 O ATOM 1703 NE2 GLN A 106 -13.927 -12.896 -9.790 1.00 0.00 N ATOM 0 H GLN A 106 -12.566 -8.413 -6.302 1.00 0.00 H new ATOM 0 HA GLN A 106 -14.590 -10.222 -6.719 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -11.745 -10.044 -7.208 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -12.161 -11.681 -6.739 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -14.203 -10.721 -8.546 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -12.641 -10.375 -9.261 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -14.644 -12.253 -10.125 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -13.915 -13.862 -10.117 1.00 0.00 H new ATOM 1712 N THR A 107 -12.640 -11.272 -4.268 1.00 0.00 N ATOM 1713 CA THR A 107 -12.611 -12.087 -3.066 1.00 0.00 C ATOM 1714 C THR A 107 -13.121 -11.286 -1.866 1.00 0.00 C ATOM 1715 O THR A 107 -13.270 -11.828 -0.772 1.00 0.00 O ATOM 1716 CB THR A 107 -11.186 -12.612 -2.885 1.00 0.00 C ATOM 1717 OG1 THR A 107 -11.174 -13.135 -1.559 1.00 0.00 O ATOM 1718 CG2 THR A 107 -10.147 -11.489 -2.852 1.00 0.00 C ATOM 0 H THR A 107 -11.741 -10.867 -4.530 1.00 0.00 H new ATOM 0 HA THR A 107 -13.279 -12.944 -3.153 1.00 0.00 H new ATOM 0 HB THR A 107 -10.949 -13.302 -3.695 1.00 0.00 H new ATOM 0 HG1 THR A 107 -12.076 -13.083 -1.179 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.153 -11.917 -2.722 1.00 0.00 H new ATOM 0 HG22 THR A 107 -10.183 -10.933 -3.789 1.00 0.00 H new ATOM 0 HG23 THR A 107 -10.364 -10.817 -2.022 1.00 0.00 H new ATOM 1726 N GLU A 108 -13.374 -10.010 -2.113 1.00 0.00 N ATOM 1727 CA GLU A 108 -13.863 -9.128 -1.066 1.00 0.00 C ATOM 1728 C GLU A 108 -14.983 -8.235 -1.605 1.00 0.00 C ATOM 1729 O GLU A 108 -14.841 -7.014 -1.648 1.00 0.00 O ATOM 1730 CB GLU A 108 -12.727 -8.289 -0.479 1.00 0.00 C ATOM 1731 CG GLU A 108 -11.519 -9.164 -0.139 1.00 0.00 C ATOM 1732 CD GLU A 108 -11.681 -9.809 1.240 1.00 0.00 C ATOM 1733 OE1 GLU A 108 -12.421 -10.813 1.313 1.00 0.00 O ATOM 1734 OE2 GLU A 108 -11.060 -9.283 2.189 1.00 0.00 O ATOM 0 H GLU A 108 -13.250 -9.565 -3.022 1.00 0.00 H new ATOM 0 HA GLU A 108 -14.269 -9.742 -0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.433 -7.518 -1.192 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.074 -7.777 0.419 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.402 -9.940 -0.896 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.611 -8.561 -0.158 1.00 0.00 H new ATOM 1741 N PRO A 109 -16.099 -8.895 -2.014 1.00 0.00 N ATOM 1742 CA PRO A 109 -17.241 -8.174 -2.549 1.00 0.00 C ATOM 1743 C PRO A 109 -18.021 -7.477 -1.432 1.00 0.00 C ATOM 1744 O PRO A 109 -18.550 -6.384 -1.628 1.00 0.00 O ATOM 1745 CB PRO A 109 -18.062 -9.224 -3.281 1.00 0.00 C ATOM 1746 CG PRO A 109 -17.599 -10.567 -2.739 1.00 0.00 C ATOM 1747 CD PRO A 109 -16.302 -10.341 -1.979 1.00 0.00 C ATOM 0 HA PRO A 109 -16.952 -7.371 -3.227 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -19.128 -9.078 -3.106 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -17.905 -9.162 -4.358 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -18.356 -10.995 -2.083 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -17.446 -11.275 -3.553 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -16.375 -10.706 -0.955 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -15.471 -10.869 -2.447 1.00 0.00 H new ATOM 1755 N GLN A 110 -18.068 -8.139 -0.285 1.00 0.00 N ATOM 1756 CA GLN A 110 -18.774 -7.596 0.863 1.00 0.00 C ATOM 1757 C GLN A 110 -18.027 -6.383 1.422 1.00 0.00 C ATOM 1758 O GLN A 110 -18.646 -5.428 1.887 1.00 0.00 O ATOM 1759 CB GLN A 110 -18.970 -8.664 1.941 1.00 0.00 C ATOM 1760 CG GLN A 110 -17.633 -9.055 2.574 1.00 0.00 C ATOM 1761 CD GLN A 110 -17.775 -10.330 3.409 1.00 0.00 C ATOM 1762 OE1 GLN A 110 -18.832 -10.648 3.929 1.00 0.00 O ATOM 1763 NE2 GLN A 110 -16.653 -11.039 3.508 1.00 0.00 N ATOM 0 H GLN A 110 -17.629 -9.046 -0.126 1.00 0.00 H new ATOM 0 HA GLN A 110 -19.762 -7.270 0.536 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -19.645 -8.290 2.710 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -19.441 -9.545 1.504 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -16.888 -9.208 1.793 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -17.273 -8.242 3.204 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -15.803 -10.715 3.047 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -16.643 -11.906 4.045 1.00 0.00 H new ATOM 1772 N ASN A 111 -16.706 -6.462 1.358 1.00 0.00 N ATOM 1773 CA ASN A 111 -15.868 -5.382 1.852 1.00 0.00 C ATOM 1774 C ASN A 111 -16.429 -4.044 1.367 1.00 0.00 C ATOM 1775 O ASN A 111 -16.510 -3.800 0.165 1.00 0.00 O ATOM 1776 CB ASN A 111 -14.436 -5.513 1.328 1.00 0.00 C ATOM 1777 CG ASN A 111 -13.539 -4.415 1.904 1.00 0.00 C ATOM 1778 OD1 ASN A 111 -13.990 -3.354 2.299 1.00 0.00 O ATOM 1779 ND2 ASN A 111 -12.247 -4.730 1.928 1.00 0.00 N ATOM 0 H ASN A 111 -16.195 -7.256 0.972 1.00 0.00 H new ATOM 0 HA ASN A 111 -15.860 -5.432 2.941 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -14.036 -6.491 1.594 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -14.436 -5.454 0.240 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -11.566 -4.064 2.294 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -11.937 -5.638 1.581 1.00 0.00 H new ATOM 1786 N ASN A 112 -16.801 -3.212 2.329 1.00 0.00 N ATOM 1787 CA ASN A 112 -17.351 -1.904 2.015 1.00 0.00 C ATOM 1788 C ASN A 112 -16.211 -0.943 1.676 1.00 0.00 C ATOM 1789 O ASN A 112 -16.337 -0.117 0.774 1.00 0.00 O ATOM 1790 CB ASN A 112 -18.117 -1.328 3.208 1.00 0.00 C ATOM 1791 CG ASN A 112 -19.074 -2.366 3.797 1.00 0.00 C ATOM 1792 OD1 ASN A 112 -19.946 -2.895 3.128 1.00 0.00 O ATOM 1793 ND2 ASN A 112 -18.866 -2.624 5.085 1.00 0.00 N ATOM 0 H ASN A 112 -16.732 -3.418 3.326 1.00 0.00 H new ATOM 0 HA ASN A 112 -18.031 -2.018 1.171 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -17.413 -1.001 3.973 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -18.678 -0.448 2.894 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -19.455 -3.300 5.571 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -18.118 -2.145 5.587 1.00 0.00 H new ATOM 1800 N GLN A 113 -15.122 -1.082 2.418 1.00 0.00 N ATOM 1801 CA GLN A 113 -13.959 -0.236 2.209 1.00 0.00 C ATOM 1802 C GLN A 113 -13.479 -0.344 0.759 1.00 0.00 C ATOM 1803 O GLN A 113 -12.969 0.623 0.197 1.00 0.00 O ATOM 1804 CB GLN A 113 -12.837 -0.595 3.185 1.00 0.00 C ATOM 1805 CG GLN A 113 -13.187 -0.153 4.607 1.00 0.00 C ATOM 1806 CD GLN A 113 -12.436 -0.994 5.642 1.00 0.00 C ATOM 1807 OE1 GLN A 113 -11.310 -1.416 5.439 1.00 0.00 O ATOM 1808 NE2 GLN A 113 -13.123 -1.214 6.760 1.00 0.00 N ATOM 0 H GLN A 113 -15.021 -1.769 3.165 1.00 0.00 H new ATOM 0 HA GLN A 113 -14.246 0.798 2.401 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -12.664 -1.671 3.167 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -11.909 -0.118 2.870 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -12.936 0.900 4.737 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -14.261 -0.247 4.767 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -14.062 -0.831 6.865 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -12.710 -1.766 7.512 1.00 0.00 H new ATOM 1817 N ALA A 114 -13.662 -1.529 0.195 1.00 0.00 N ATOM 1818 CA ALA A 114 -13.255 -1.775 -1.178 1.00 0.00 C ATOM 1819 C ALA A 114 -14.331 -1.242 -2.127 1.00 0.00 C ATOM 1820 O ALA A 114 -14.016 -0.610 -3.134 1.00 0.00 O ATOM 1821 CB ALA A 114 -12.994 -3.269 -1.373 1.00 0.00 C ATOM 0 H ALA A 114 -14.087 -2.329 0.664 1.00 0.00 H new ATOM 0 HA ALA A 114 -12.327 -1.250 -1.403 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -12.689 -3.454 -2.403 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -12.202 -3.591 -0.697 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.905 -3.828 -1.159 1.00 0.00 H new ATOM 1827 N LYS A 115 -15.577 -1.518 -1.774 1.00 0.00 N ATOM 1828 CA LYS A 115 -16.701 -1.075 -2.581 1.00 0.00 C ATOM 1829 C LYS A 115 -16.616 0.440 -2.776 1.00 0.00 C ATOM 1830 O LYS A 115 -16.494 0.920 -3.902 1.00 0.00 O ATOM 1831 CB LYS A 115 -18.021 -1.545 -1.967 1.00 0.00 C ATOM 1832 CG LYS A 115 -18.399 -2.936 -2.479 1.00 0.00 C ATOM 1833 CD LYS A 115 -19.913 -3.147 -2.424 1.00 0.00 C ATOM 1834 CE LYS A 115 -20.450 -3.614 -3.779 1.00 0.00 C ATOM 1835 NZ LYS A 115 -21.710 -2.911 -4.107 1.00 0.00 N ATOM 0 H LYS A 115 -15.834 -2.044 -0.939 1.00 0.00 H new ATOM 0 HA LYS A 115 -16.661 -1.527 -3.572 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -17.934 -1.565 -0.881 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -18.812 -0.836 -2.211 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -18.048 -3.058 -3.504 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -17.900 -3.697 -1.878 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -20.154 -3.885 -1.659 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -20.403 -2.217 -2.135 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -19.709 -3.425 -4.555 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -20.622 -4.690 -3.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -22.061 -3.239 -5.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -22.421 -3.112 -3.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -21.535 -1.887 -4.148 1.00 0.00 H new ATOM 1849 N GLU A 116 -16.687 1.153 -1.660 1.00 0.00 N ATOM 1850 CA GLU A 116 -16.621 2.604 -1.694 1.00 0.00 C ATOM 1851 C GLU A 116 -15.513 3.063 -2.643 1.00 0.00 C ATOM 1852 O GLU A 116 -15.773 3.787 -3.603 1.00 0.00 O ATOM 1853 CB GLU A 116 -16.411 3.175 -0.290 1.00 0.00 C ATOM 1854 CG GLU A 116 -17.697 3.817 0.238 1.00 0.00 C ATOM 1855 CD GLU A 116 -17.406 4.716 1.441 1.00 0.00 C ATOM 1856 OE1 GLU A 116 -17.059 5.892 1.200 1.00 0.00 O ATOM 1857 OE2 GLU A 116 -17.538 4.207 2.575 1.00 0.00 O ATOM 0 H GLU A 116 -16.790 0.752 -0.728 1.00 0.00 H new ATOM 0 HA GLU A 116 -17.572 2.983 -2.067 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -16.092 2.381 0.386 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -15.612 3.916 -0.310 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -18.167 4.402 -0.553 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -18.406 3.039 0.523 1.00 0.00 H new ATOM 1864 N LEU A 117 -14.300 2.623 -2.343 1.00 0.00 N ATOM 1865 CA LEU A 117 -13.151 2.980 -3.158 1.00 0.00 C ATOM 1866 C LEU A 117 -13.514 2.830 -4.637 1.00 0.00 C ATOM 1867 O LEU A 117 -13.499 3.807 -5.385 1.00 0.00 O ATOM 1868 CB LEU A 117 -11.925 2.167 -2.741 1.00 0.00 C ATOM 1869 CG LEU A 117 -10.592 2.597 -3.357 1.00 0.00 C ATOM 1870 CD1 LEU A 117 -10.446 4.120 -3.340 1.00 0.00 C ATOM 1871 CD2 LEU A 117 -9.418 1.901 -2.667 1.00 0.00 C ATOM 0 H LEU A 117 -14.088 2.022 -1.547 1.00 0.00 H new ATOM 0 HA LEU A 117 -12.881 4.024 -2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -11.833 2.216 -1.656 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -12.101 1.123 -2.999 1.00 0.00 H new ATOM 0 HG LEU A 117 -10.582 2.284 -4.401 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -9.490 4.399 -3.783 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -11.257 4.570 -3.913 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -10.487 4.478 -2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -8.483 2.225 -3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -9.413 2.160 -1.608 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -9.520 0.821 -2.776 1.00 0.00 H new ATOM 1883 N GLU A 118 -13.831 1.601 -5.014 1.00 0.00 N ATOM 1884 CA GLU A 118 -14.198 1.311 -6.390 1.00 0.00 C ATOM 1885 C GLU A 118 -15.103 2.415 -6.942 1.00 0.00 C ATOM 1886 O GLU A 118 -15.045 2.734 -8.129 1.00 0.00 O ATOM 1887 CB GLU A 118 -14.873 -0.058 -6.501 1.00 0.00 C ATOM 1888 CG GLU A 118 -15.472 -0.262 -7.894 1.00 0.00 C ATOM 1889 CD GLU A 118 -16.994 -0.403 -7.822 1.00 0.00 C ATOM 1890 OE1 GLU A 118 -17.460 -1.027 -6.844 1.00 0.00 O ATOM 1891 OE2 GLU A 118 -17.657 0.116 -8.745 1.00 0.00 O ATOM 0 H GLU A 118 -13.842 0.794 -4.391 1.00 0.00 H new ATOM 0 HA GLU A 118 -13.288 1.280 -6.989 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -14.146 -0.844 -6.295 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -15.657 -0.143 -5.748 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -15.211 0.582 -8.533 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -15.042 -1.153 -8.352 1.00 0.00 H new ATOM 1898 N ARG A 119 -15.916 2.968 -6.055 1.00 0.00 N ATOM 1899 CA ARG A 119 -16.831 4.030 -6.439 1.00 0.00 C ATOM 1900 C ARG A 119 -16.117 5.383 -6.406 1.00 0.00 C ATOM 1901 O ARG A 119 -16.243 6.177 -7.336 1.00 0.00 O ATOM 1902 CB ARG A 119 -18.042 4.078 -5.505 1.00 0.00 C ATOM 1903 CG ARG A 119 -18.577 5.504 -5.373 1.00 0.00 C ATOM 1904 CD ARG A 119 -19.199 5.981 -6.687 1.00 0.00 C ATOM 1905 NE ARG A 119 -20.108 7.120 -6.434 1.00 0.00 N ATOM 1906 CZ ARG A 119 -20.974 7.605 -7.334 1.00 0.00 C ATOM 1907 NH1 ARG A 119 -21.053 7.052 -8.552 1.00 0.00 N ATOM 1908 NH2 ARG A 119 -21.761 8.642 -7.017 1.00 0.00 N ATOM 0 H ARG A 119 -15.961 2.701 -5.072 1.00 0.00 H new ATOM 0 HA ARG A 119 -17.175 3.821 -7.452 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -18.827 3.426 -5.888 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -17.763 3.698 -4.522 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -19.322 5.544 -4.578 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -17.767 6.175 -5.085 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -18.415 6.279 -7.383 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -19.748 5.165 -7.156 1.00 0.00 H new ATOM 0 HE ARG A 119 -20.073 7.564 -5.516 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -20.454 6.262 -8.793 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -21.712 7.421 -9.238 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -21.701 9.063 -6.090 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -22.420 9.011 -7.703 1.00 0.00 H new ATOM 1922 N LEU A 120 -15.385 5.604 -5.324 1.00 0.00 N ATOM 1923 CA LEU A 120 -14.652 6.848 -5.158 1.00 0.00 C ATOM 1924 C LEU A 120 -13.914 7.177 -6.457 1.00 0.00 C ATOM 1925 O LEU A 120 -14.224 8.166 -7.119 1.00 0.00 O ATOM 1926 CB LEU A 120 -13.738 6.772 -3.934 1.00 0.00 C ATOM 1927 CG LEU A 120 -14.438 6.613 -2.583 1.00 0.00 C ATOM 1928 CD1 LEU A 120 -13.426 6.332 -1.470 1.00 0.00 C ATOM 1929 CD2 LEU A 120 -15.308 7.833 -2.270 1.00 0.00 C ATOM 0 H LEU A 120 -15.284 4.943 -4.554 1.00 0.00 H new ATOM 0 HA LEU A 120 -15.339 7.672 -4.963 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -13.054 5.934 -4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -13.131 7.677 -3.902 1.00 0.00 H new ATOM 0 HG LEU A 120 -15.101 5.750 -2.642 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -13.950 6.223 -0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -12.885 5.412 -1.693 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -12.720 7.160 -1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -15.795 7.695 -1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -14.684 8.726 -2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -16.066 7.948 -3.045 1.00 0.00 H new ATOM 1941 N ILE A 121 -12.950 6.328 -6.784 1.00 0.00 N ATOM 1942 CA ILE A 121 -12.166 6.516 -7.992 1.00 0.00 C ATOM 1943 C ILE A 121 -13.106 6.738 -9.178 1.00 0.00 C ATOM 1944 O ILE A 121 -12.837 7.570 -10.042 1.00 0.00 O ATOM 1945 CB ILE A 121 -11.194 5.350 -8.187 1.00 0.00 C ATOM 1946 CG1 ILE A 121 -10.339 5.133 -6.938 1.00 0.00 C ATOM 1947 CG2 ILE A 121 -10.339 5.553 -9.439 1.00 0.00 C ATOM 1948 CD1 ILE A 121 -10.418 3.680 -6.464 1.00 0.00 C ATOM 0 H ILE A 121 -12.695 5.509 -6.233 1.00 0.00 H new ATOM 0 HA ILE A 121 -11.545 7.408 -7.907 1.00 0.00 H new ATOM 0 HB ILE A 121 -11.777 4.442 -8.339 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -9.303 5.393 -7.153 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -10.676 5.798 -6.142 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -9.657 4.711 -9.554 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -10.985 5.619 -10.314 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -9.764 6.474 -9.342 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -9.801 3.553 -5.575 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -11.452 3.430 -6.227 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -10.057 3.020 -7.253 1.00 0.00 H new ATOM 1960 N ASP A 122 -14.193 5.979 -9.179 1.00 0.00 N ATOM 1961 CA ASP A 122 -15.176 6.083 -10.245 1.00 0.00 C ATOM 1962 C ASP A 122 -15.421 7.558 -10.565 1.00 0.00 C ATOM 1963 O ASP A 122 -15.500 7.938 -11.733 1.00 0.00 O ATOM 1964 CB ASP A 122 -16.510 5.462 -9.825 1.00 0.00 C ATOM 1965 CG ASP A 122 -17.249 4.709 -10.932 1.00 0.00 C ATOM 1966 OD1 ASP A 122 -16.675 4.619 -12.039 1.00 0.00 O ATOM 1967 OD2 ASP A 122 -18.372 4.237 -10.645 1.00 0.00 O ATOM 0 H ASP A 122 -14.414 5.291 -8.460 1.00 0.00 H new ATOM 0 HA ASP A 122 -14.788 5.552 -11.115 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -16.330 4.776 -8.997 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -17.159 6.252 -9.448 1.00 0.00 H new ATOM 1972 N LYS A 123 -15.533 8.350 -9.509 1.00 0.00 N ATOM 1973 CA LYS A 123 -15.767 9.775 -9.664 1.00 0.00 C ATOM 1974 C LYS A 123 -14.431 10.485 -9.893 1.00 0.00 C ATOM 1975 O LYS A 123 -14.332 11.372 -10.740 1.00 0.00 O ATOM 1976 CB LYS A 123 -16.557 10.321 -8.473 1.00 0.00 C ATOM 1977 CG LYS A 123 -18.035 9.937 -8.572 1.00 0.00 C ATOM 1978 CD LYS A 123 -18.894 10.825 -7.670 1.00 0.00 C ATOM 1979 CE LYS A 123 -18.546 10.608 -6.196 1.00 0.00 C ATOM 1980 NZ LYS A 123 -19.604 11.170 -5.326 1.00 0.00 N ATOM 0 H LYS A 123 -15.466 8.031 -8.542 1.00 0.00 H new ATOM 0 HA LYS A 123 -16.385 9.966 -10.541 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -16.138 9.932 -7.545 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -16.461 11.406 -8.435 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -18.370 10.030 -9.605 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -18.163 8.892 -8.288 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -18.742 11.872 -7.933 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -19.949 10.605 -7.835 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -18.430 9.543 -5.996 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -17.590 11.080 -5.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -19.353 11.014 -4.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -19.695 12.190 -5.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -20.509 10.700 -5.532 1.00 0.00 H new ATOM 1994 N ALA A 124 -13.437 10.069 -9.124 1.00 0.00 N ATOM 1995 CA ALA A 124 -12.110 10.654 -9.232 1.00 0.00 C ATOM 1996 C ALA A 124 -11.721 10.753 -10.709 1.00 0.00 C ATOM 1997 O ALA A 124 -11.002 11.668 -11.104 1.00 0.00 O ATOM 1998 CB ALA A 124 -11.117 9.819 -8.422 1.00 0.00 C ATOM 0 H ALA A 124 -13.523 9.333 -8.423 1.00 0.00 H new ATOM 0 HA ALA A 124 -12.100 11.663 -8.820 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -10.122 10.257 -8.503 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -11.423 9.804 -7.376 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -11.097 8.800 -8.809 1.00 0.00 H new ATOM 2004 N MET A 125 -12.214 9.797 -11.483 1.00 0.00 N ATOM 2005 CA MET A 125 -11.926 9.765 -12.907 1.00 0.00 C ATOM 2006 C MET A 125 -12.670 10.882 -13.642 1.00 0.00 C ATOM 2007 O MET A 125 -12.095 11.563 -14.489 1.00 0.00 O ATOM 2008 CB MET A 125 -12.341 8.410 -13.482 1.00 0.00 C ATOM 2009 CG MET A 125 -11.608 7.267 -12.777 1.00 0.00 C ATOM 2010 SD MET A 125 -10.629 6.351 -13.957 1.00 0.00 S ATOM 2011 CE MET A 125 -10.729 4.719 -13.240 1.00 0.00 C ATOM 0 H MET A 125 -12.811 9.039 -11.151 1.00 0.00 H new ATOM 0 HA MET A 125 -10.855 9.915 -13.045 1.00 0.00 H new ATOM 0 HB2 MET A 125 -13.417 8.279 -13.372 1.00 0.00 H new ATOM 0 HB3 MET A 125 -12.124 8.382 -14.550 1.00 0.00 H new ATOM 0 HG2 MET A 125 -10.967 7.665 -11.991 1.00 0.00 H new ATOM 0 HG3 MET A 125 -12.327 6.604 -12.296 1.00 0.00 H new ATOM 0 HE1 MET A 125 -9.724 4.316 -13.111 1.00 0.00 H new ATOM 0 HE2 MET A 125 -11.224 4.777 -12.271 1.00 0.00 H new ATOM 0 HE3 MET A 125 -11.300 4.066 -13.900 1.00 0.00 H new ATOM 2021 N LYS A 126 -13.939 11.034 -13.291 1.00 0.00 N ATOM 2022 CA LYS A 126 -14.767 12.057 -13.906 1.00 0.00 C ATOM 2023 C LYS A 126 -14.597 13.373 -13.146 1.00 0.00 C ATOM 2024 O LYS A 126 -15.327 14.333 -13.385 1.00 0.00 O ATOM 2025 CB LYS A 126 -16.220 11.585 -13.999 1.00 0.00 C ATOM 2026 CG LYS A 126 -16.586 11.214 -15.438 1.00 0.00 C ATOM 2027 CD LYS A 126 -17.560 12.232 -16.035 1.00 0.00 C ATOM 2028 CE LYS A 126 -19.005 11.743 -15.916 1.00 0.00 C ATOM 2029 NZ LYS A 126 -19.928 12.686 -16.583 1.00 0.00 N ATOM 0 H LYS A 126 -14.413 10.466 -12.589 1.00 0.00 H new ATOM 0 HA LYS A 126 -14.447 12.238 -14.932 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -16.368 10.723 -13.349 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -16.885 12.372 -13.642 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -15.683 11.169 -16.047 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -17.034 10.221 -15.459 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -17.452 13.188 -15.522 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -17.315 12.403 -17.083 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -19.099 10.754 -16.365 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -19.276 11.642 -14.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -20.904 12.339 -16.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -19.851 13.622 -16.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -19.679 12.761 -17.590 1.00 0.00 H new ATOM 2043 N LYS A 127 -13.625 13.376 -12.244 1.00 0.00 N ATOM 2044 CA LYS A 127 -13.348 14.559 -11.447 1.00 0.00 C ATOM 2045 C LYS A 127 -12.102 15.257 -11.994 1.00 0.00 C ATOM 2046 O LYS A 127 -10.979 14.891 -11.650 1.00 0.00 O ATOM 2047 CB LYS A 127 -13.247 14.194 -9.964 1.00 0.00 C ATOM 2048 CG LYS A 127 -14.637 14.033 -9.343 1.00 0.00 C ATOM 2049 CD LYS A 127 -14.536 13.661 -7.863 1.00 0.00 C ATOM 2050 CE LYS A 127 -15.641 14.341 -7.051 1.00 0.00 C ATOM 2051 NZ LYS A 127 -15.645 13.837 -5.659 1.00 0.00 N ATOM 0 H LYS A 127 -13.020 12.578 -12.048 1.00 0.00 H new ATOM 0 HA LYS A 127 -14.171 15.270 -11.522 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -12.685 13.267 -9.851 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -12.694 14.968 -9.432 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -15.197 14.962 -9.451 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -15.191 13.262 -9.878 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -14.610 12.579 -7.750 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -13.561 13.956 -7.476 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -15.490 15.421 -7.053 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -16.609 14.154 -7.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -16.400 14.308 -5.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -15.811 12.810 -5.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -14.727 14.038 -5.214 1.00 0.00 H new