USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 534 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 31 ASN : amide:sc= 0 X(o=-0.38,f=-0.74) USER MOD Set 2.2: A 35 HIS : no HD1:sc= -0.383 X(o=-0.38,f=-0.74) USER MOD Set 3.1: A 17 THR OG1 : rot -63:sc= 0.00263 USER MOD Set 3.2: A 27 GLN : amide:sc= 0.00367 X(o=0.0063,f=0) USER MOD Single : A 1 MET CE :methyl 161:sc= 0 (180deg=-0.665) USER MOD Single : A 1 MET N :NH3+ -146:sc= -0.272 (180deg=-0.383) USER MOD Single : A 3 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.061) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0681 USER MOD Single : A 8 LYS NZ :NH3+ 162:sc= 0.152 (180deg=-0.00426) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 153:sc= -0.502 (180deg=-1.92!) USER MOD Single : A 16 GLN : amide:sc= -0.415 K(o=-0.42,f=-1.4) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -55:sc= 0.341 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.49 K(o=-0.49,f=-2.9!) USER MOD Single : A 28 SER OG : rot 180:sc= -1.08 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -99:sc= -0.274 (180deg=-0.941) USER MOD Single : A 45 ASN : amide:sc= -0.193 K(o=-0.19,f=-1.4) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot -63:sc= 0.386 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.148 14.418 4.523 1.00 0.00 N ATOM 2 CA MET A 1 3.245 14.745 3.574 1.00 0.00 C ATOM 3 C MET A 1 3.370 13.683 2.486 1.00 0.00 C ATOM 4 O MET A 1 3.797 13.973 1.367 1.00 0.00 O ATOM 5 CB MET A 1 4.555 14.853 4.361 1.00 0.00 C ATOM 6 CG MET A 1 5.019 13.534 4.962 1.00 0.00 C ATOM 7 SD MET A 1 6.531 12.913 4.201 1.00 0.00 S ATOM 8 CE MET A 1 6.521 11.214 4.764 1.00 0.00 C ATOM 0 H1 MET A 1 1.700 15.297 4.852 1.00 0.00 H new ATOM 0 H2 MET A 1 1.439 13.826 4.044 1.00 0.00 H new ATOM 0 H3 MET A 1 2.536 13.901 5.338 1.00 0.00 H new ATOM 0 HA MET A 1 3.022 15.692 3.083 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.334 15.235 3.702 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.429 15.582 5.161 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.183 13.665 6.032 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.229 12.791 4.850 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.176 10.617 4.130 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.874 11.170 5.794 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.506 10.819 4.711 1.00 0.00 H new ATOM 20 N GLU A 2 2.993 12.452 2.819 1.00 0.00 N ATOM 21 CA GLU A 2 3.063 11.348 1.869 1.00 0.00 C ATOM 22 C GLU A 2 2.314 10.129 2.398 1.00 0.00 C ATOM 23 O GLU A 2 2.673 9.573 3.436 1.00 0.00 O ATOM 24 CB GLU A 2 4.520 10.983 1.584 1.00 0.00 C ATOM 25 CG GLU A 2 4.693 10.038 0.406 1.00 0.00 C ATOM 26 CD GLU A 2 5.958 9.211 0.502 1.00 0.00 C ATOM 27 OE1 GLU A 2 6.293 8.766 1.620 1.00 0.00 O ATOM 28 OE2 GLU A 2 6.616 9.008 -0.540 1.00 0.00 O ATOM 0 H GLU A 2 2.636 12.195 3.739 1.00 0.00 H new ATOM 0 HA GLU A 2 2.590 11.669 0.941 1.00 0.00 H new ATOM 0 HB2 GLU A 2 5.083 11.896 1.392 1.00 0.00 H new ATOM 0 HB3 GLU A 2 4.951 10.524 2.474 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.832 9.372 0.350 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.710 10.615 -0.518 1.00 0.00 H new ATOM 35 N GLN A 3 1.275 9.721 1.680 1.00 0.00 N ATOM 36 CA GLN A 3 0.476 8.568 2.080 1.00 0.00 C ATOM 37 C GLN A 3 0.841 7.341 1.251 1.00 0.00 C ATOM 38 O GLN A 3 -0.024 6.541 0.895 1.00 0.00 O ATOM 39 CB GLN A 3 -1.015 8.880 1.934 1.00 0.00 C ATOM 40 CG GLN A 3 -1.818 8.612 3.197 1.00 0.00 C ATOM 41 CD GLN A 3 -2.092 9.875 3.991 1.00 0.00 C ATOM 42 OE1 GLN A 3 -1.814 9.942 5.189 1.00 0.00 O ATOM 43 NE2 GLN A 3 -2.641 10.884 3.325 1.00 0.00 N ATOM 0 H GLN A 3 0.966 10.171 0.818 1.00 0.00 H new ATOM 0 HA GLN A 3 0.691 8.351 3.126 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.133 9.927 1.653 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.425 8.283 1.119 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -2.765 8.143 2.929 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.277 7.903 3.824 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -2.854 10.784 2.333 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.849 11.759 3.806 1.00 0.00 H new ATOM 52 N ARG A 4 2.127 7.199 0.951 1.00 0.00 N ATOM 53 CA ARG A 4 2.612 6.070 0.167 1.00 0.00 C ATOM 54 C ARG A 4 3.017 4.912 1.073 1.00 0.00 C ATOM 55 O ARG A 4 4.200 4.600 1.211 1.00 0.00 O ATOM 56 CB ARG A 4 3.799 6.499 -0.701 1.00 0.00 C ATOM 57 CG ARG A 4 3.428 7.499 -1.783 1.00 0.00 C ATOM 58 CD ARG A 4 4.539 7.649 -2.811 1.00 0.00 C ATOM 59 NE ARG A 4 4.027 7.610 -4.179 1.00 0.00 N ATOM 60 CZ ARG A 4 4.690 8.078 -5.235 1.00 0.00 C ATOM 61 NH1 ARG A 4 5.893 8.620 -5.085 1.00 0.00 N ATOM 62 NH2 ARG A 4 4.151 8.003 -6.444 1.00 0.00 N ATOM 0 H ARG A 4 2.854 7.854 1.240 1.00 0.00 H new ATOM 0 HA ARG A 4 1.802 5.732 -0.480 1.00 0.00 H new ATOM 0 HB2 ARG A 4 4.567 6.935 -0.062 1.00 0.00 H new ATOM 0 HB3 ARG A 4 4.236 5.616 -1.168 1.00 0.00 H new ATOM 0 HG2 ARG A 4 2.513 7.176 -2.280 1.00 0.00 H new ATOM 0 HG3 ARG A 4 3.219 8.467 -1.328 1.00 0.00 H new ATOM 0 HD2 ARG A 4 5.061 8.592 -2.646 1.00 0.00 H new ATOM 0 HD3 ARG A 4 5.270 6.852 -2.674 1.00 0.00 H new ATOM 0 HE ARG A 4 3.106 7.200 -4.335 1.00 0.00 H new ATOM 0 HH11 ARG A 4 6.314 8.679 -4.158 1.00 0.00 H new ATOM 0 HH12 ARG A 4 6.396 8.977 -5.897 1.00 0.00 H new ATOM 0 HH21 ARG A 4 3.228 7.587 -6.566 1.00 0.00 H new ATOM 0 HH22 ARG A 4 4.659 8.362 -7.252 1.00 0.00 H new ATOM 76 N ILE A 5 2.025 4.286 1.697 1.00 0.00 N ATOM 77 CA ILE A 5 2.267 3.172 2.599 1.00 0.00 C ATOM 78 C ILE A 5 2.503 1.880 1.835 1.00 0.00 C ATOM 79 O ILE A 5 2.217 1.782 0.642 1.00 0.00 O ATOM 80 CB ILE A 5 1.079 2.966 3.559 1.00 0.00 C ATOM 81 CG1 ILE A 5 0.604 4.311 4.088 1.00 0.00 C ATOM 82 CG2 ILE A 5 1.465 2.046 4.708 1.00 0.00 C ATOM 83 CD1 ILE A 5 -0.901 4.419 4.215 1.00 0.00 C ATOM 0 H ILE A 5 1.041 4.535 1.592 1.00 0.00 H new ATOM 0 HA ILE A 5 3.161 3.421 3.171 1.00 0.00 H new ATOM 0 HB ILE A 5 0.264 2.493 3.010 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.056 4.487 5.064 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.961 5.099 3.425 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.611 1.915 5.372 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.768 1.077 4.312 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.293 2.486 5.264 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.164 5.405 4.598 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.360 4.275 3.237 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.264 3.654 4.902 1.00 0.00 H new ATOM 95 N THR A 6 3.031 0.896 2.541 1.00 0.00 N ATOM 96 CA THR A 6 3.316 -0.408 1.953 1.00 0.00 C ATOM 97 C THR A 6 2.107 -1.331 2.067 1.00 0.00 C ATOM 98 O THR A 6 1.195 -1.081 2.855 1.00 0.00 O ATOM 99 CB THR A 6 4.526 -1.045 2.637 1.00 0.00 C ATOM 100 OG1 THR A 6 4.604 -0.646 3.995 1.00 0.00 O ATOM 101 CG2 THR A 6 5.842 -0.690 1.979 1.00 0.00 C ATOM 0 H THR A 6 3.274 0.973 3.529 1.00 0.00 H new ATOM 0 HA THR A 6 3.541 -0.262 0.896 1.00 0.00 H new ATOM 0 HB THR A 6 4.372 -2.121 2.549 1.00 0.00 H new ATOM 0 HG1 THR A 6 5.384 -1.066 4.415 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.659 -1.175 2.514 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.834 -1.030 0.943 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.982 0.391 2.005 1.00 0.00 H new ATOM 109 N LEU A 7 2.106 -2.397 1.275 1.00 0.00 N ATOM 110 CA LEU A 7 1.009 -3.358 1.285 1.00 0.00 C ATOM 111 C LEU A 7 0.968 -4.126 2.602 1.00 0.00 C ATOM 112 O LEU A 7 -0.103 -4.507 3.077 1.00 0.00 O ATOM 113 CB LEU A 7 1.148 -4.334 0.115 1.00 0.00 C ATOM 114 CG LEU A 7 0.014 -5.350 -0.018 1.00 0.00 C ATOM 115 CD1 LEU A 7 -1.202 -4.712 -0.670 1.00 0.00 C ATOM 116 CD2 LEU A 7 0.476 -6.559 -0.817 1.00 0.00 C ATOM 0 H LEU A 7 2.853 -2.618 0.617 1.00 0.00 H new ATOM 0 HA LEU A 7 0.075 -2.806 1.180 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.213 -3.761 -0.810 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.089 -4.874 0.222 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.269 -5.683 0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.999 -5.451 -0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.546 -3.877 -0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.935 -4.350 -1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.343 -7.273 -0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.785 -6.241 -1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.317 -7.031 -0.309 1.00 0.00 H new ATOM 128 N LYS A 8 2.139 -4.353 3.187 1.00 0.00 N ATOM 129 CA LYS A 8 2.237 -5.080 4.447 1.00 0.00 C ATOM 130 C LYS A 8 1.559 -4.311 5.576 1.00 0.00 C ATOM 131 O LYS A 8 0.729 -4.859 6.303 1.00 0.00 O ATOM 132 CB LYS A 8 3.704 -5.337 4.798 1.00 0.00 C ATOM 133 CG LYS A 8 3.895 -6.395 5.875 1.00 0.00 C ATOM 134 CD LYS A 8 4.055 -5.767 7.252 1.00 0.00 C ATOM 135 CE LYS A 8 3.007 -6.282 8.227 1.00 0.00 C ATOM 136 NZ LYS A 8 3.557 -7.327 9.133 1.00 0.00 N ATOM 0 H LYS A 8 3.034 -4.044 2.808 1.00 0.00 H new ATOM 0 HA LYS A 8 1.726 -6.035 4.326 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.236 -5.646 3.898 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.158 -4.404 5.132 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.039 -7.070 5.879 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.774 -6.996 5.644 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.051 -5.985 7.638 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.975 -4.683 7.170 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.624 -5.452 8.821 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.164 -6.691 7.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.934 -7.433 9.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.615 -8.232 8.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.507 -7.047 9.450 1.00 0.00 H new ATOM 150 N ASP A 9 1.917 -3.040 5.721 1.00 0.00 N ATOM 151 CA ASP A 9 1.346 -2.195 6.765 1.00 0.00 C ATOM 152 C ASP A 9 -0.173 -2.112 6.631 1.00 0.00 C ATOM 153 O ASP A 9 -0.905 -2.400 7.576 1.00 0.00 O ATOM 154 CB ASP A 9 1.949 -0.793 6.705 1.00 0.00 C ATOM 155 CG ASP A 9 3.441 -0.792 6.976 1.00 0.00 C ATOM 156 OD1 ASP A 9 3.935 -1.769 7.577 1.00 0.00 O ATOM 157 OD2 ASP A 9 4.114 0.185 6.590 1.00 0.00 O ATOM 0 H ASP A 9 2.601 -2.571 5.128 1.00 0.00 H new ATOM 0 HA ASP A 9 1.585 -2.645 7.729 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.761 -0.362 5.722 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.450 -0.155 7.434 1.00 0.00 H new ATOM 162 N TYR A 10 -0.635 -1.711 5.451 1.00 0.00 N ATOM 163 CA TYR A 10 -2.065 -1.586 5.193 1.00 0.00 C ATOM 164 C TYR A 10 -2.784 -2.909 5.431 1.00 0.00 C ATOM 165 O TYR A 10 -3.915 -2.934 5.917 1.00 0.00 O ATOM 166 CB TYR A 10 -2.306 -1.111 3.759 1.00 0.00 C ATOM 167 CG TYR A 10 -3.704 -0.587 3.519 1.00 0.00 C ATOM 168 CD1 TYR A 10 -4.796 -1.446 3.510 1.00 0.00 C ATOM 169 CD2 TYR A 10 -3.930 0.766 3.305 1.00 0.00 C ATOM 170 CE1 TYR A 10 -6.075 -0.970 3.291 1.00 0.00 C ATOM 171 CE2 TYR A 10 -5.207 1.250 3.085 1.00 0.00 C ATOM 172 CZ TYR A 10 -6.275 0.378 3.079 1.00 0.00 C ATOM 173 OH TYR A 10 -7.548 0.855 2.861 1.00 0.00 O ATOM 0 H TYR A 10 -0.040 -1.467 4.659 1.00 0.00 H new ATOM 0 HA TYR A 10 -2.468 -0.848 5.887 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.588 -0.327 3.520 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -2.115 -1.938 3.075 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.643 -2.502 3.677 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.095 1.452 3.310 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.914 -1.650 3.286 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.367 2.305 2.919 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.516 1.826 2.730 1.00 0.00 H new ATOM 183 N ALA A 11 -2.123 -4.008 5.084 1.00 0.00 N ATOM 184 CA ALA A 11 -2.700 -5.334 5.259 1.00 0.00 C ATOM 185 C ALA A 11 -2.766 -5.718 6.734 1.00 0.00 C ATOM 186 O ALA A 11 -3.658 -6.454 7.154 1.00 0.00 O ATOM 187 CB ALA A 11 -1.898 -6.364 4.479 1.00 0.00 C ATOM 0 H ALA A 11 -1.187 -4.006 4.680 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.719 -5.312 4.873 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.340 -7.351 4.618 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.909 -6.108 3.420 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.869 -6.373 4.839 1.00 0.00 H new ATOM 193 N MET A 12 -1.815 -5.216 7.514 1.00 0.00 N ATOM 194 CA MET A 12 -1.763 -5.509 8.936 1.00 0.00 C ATOM 195 C MET A 12 -2.557 -4.484 9.743 1.00 0.00 C ATOM 196 O MET A 12 -3.007 -4.767 10.853 1.00 0.00 O ATOM 197 CB MET A 12 -0.310 -5.543 9.418 1.00 0.00 C ATOM 198 CG MET A 12 0.149 -6.922 9.868 1.00 0.00 C ATOM 199 SD MET A 12 0.909 -6.906 11.503 1.00 0.00 S ATOM 200 CE MET A 12 -0.336 -6.031 12.445 1.00 0.00 C ATOM 0 H MET A 12 -1.070 -4.604 7.182 1.00 0.00 H new ATOM 0 HA MET A 12 -2.216 -6.488 9.092 1.00 0.00 H new ATOM 0 HB2 MET A 12 0.339 -5.197 8.614 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.194 -4.842 10.245 1.00 0.00 H new ATOM 0 HG2 MET A 12 -0.705 -7.600 9.876 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.862 -7.317 9.144 1.00 0.00 H new ATOM 0 HE1 MET A 12 -0.282 -6.336 13.490 1.00 0.00 H new ATOM 0 HE2 MET A 12 -0.161 -4.958 12.370 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.324 -6.266 12.049 1.00 0.00 H new ATOM 210 N ARG A 13 -2.722 -3.295 9.179 1.00 0.00 N ATOM 211 CA ARG A 13 -3.457 -2.226 9.845 1.00 0.00 C ATOM 212 C ARG A 13 -4.941 -2.273 9.494 1.00 0.00 C ATOM 213 O ARG A 13 -5.780 -2.594 10.337 1.00 0.00 O ATOM 214 CB ARG A 13 -2.872 -0.864 9.467 1.00 0.00 C ATOM 215 CG ARG A 13 -3.061 0.198 10.542 1.00 0.00 C ATOM 216 CD ARG A 13 -1.792 0.402 11.355 1.00 0.00 C ATOM 217 NE ARG A 13 -2.041 0.307 12.791 1.00 0.00 N ATOM 218 CZ ARG A 13 -2.708 1.223 13.490 1.00 0.00 C ATOM 219 NH1 ARG A 13 -3.194 2.303 12.890 1.00 0.00 N ATOM 220 NH2 ARG A 13 -2.892 1.058 14.793 1.00 0.00 N ATOM 0 H ARG A 13 -2.356 -3.045 8.260 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.358 -2.372 10.921 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.807 -0.979 9.264 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.338 -0.521 8.543 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.351 1.140 10.077 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.875 -0.095 11.205 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.052 -0.344 11.065 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.367 1.379 11.125 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.683 -0.509 13.287 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.057 2.435 11.888 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.704 3.001 13.431 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.523 0.230 15.259 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.403 1.760 15.329 1.00 0.00 H new ATOM 234 N PHE A 14 -5.260 -1.943 8.247 1.00 0.00 N ATOM 235 CA PHE A 14 -6.630 -1.933 7.780 1.00 0.00 C ATOM 236 C PHE A 14 -7.112 -3.339 7.436 1.00 0.00 C ATOM 237 O PHE A 14 -8.277 -3.675 7.649 1.00 0.00 O ATOM 238 CB PHE A 14 -6.723 -1.028 6.559 1.00 0.00 C ATOM 239 CG PHE A 14 -6.193 0.352 6.812 1.00 0.00 C ATOM 240 CD1 PHE A 14 -6.992 1.320 7.391 1.00 0.00 C ATOM 241 CD2 PHE A 14 -4.891 0.682 6.477 1.00 0.00 C ATOM 242 CE1 PHE A 14 -6.508 2.582 7.628 1.00 0.00 C ATOM 243 CE2 PHE A 14 -4.404 1.942 6.713 1.00 0.00 C ATOM 244 CZ PHE A 14 -5.213 2.888 7.290 1.00 0.00 C ATOM 0 H PHE A 14 -4.575 -1.677 7.539 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.273 -1.556 8.575 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -6.169 -1.479 5.736 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.764 -0.959 6.243 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -8.010 1.080 7.660 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -4.251 -0.061 6.025 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.143 3.331 8.078 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.387 2.189 6.446 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.829 3.879 7.479 1.00 0.00 H new ATOM 254 N GLY A 15 -6.212 -4.157 6.902 1.00 0.00 N ATOM 255 CA GLY A 15 -6.569 -5.515 6.538 1.00 0.00 C ATOM 256 C GLY A 15 -6.575 -5.729 5.037 1.00 0.00 C ATOM 257 O GLY A 15 -6.883 -4.814 4.274 1.00 0.00 O ATOM 0 H GLY A 15 -5.242 -3.904 6.715 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.865 -6.208 6.998 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.555 -5.748 6.939 1.00 0.00 H new ATOM 261 N GLN A 16 -6.232 -6.941 4.613 1.00 0.00 N ATOM 262 CA GLN A 16 -6.199 -7.273 3.193 1.00 0.00 C ATOM 263 C GLN A 16 -7.566 -7.065 2.548 1.00 0.00 C ATOM 264 O GLN A 16 -7.663 -6.748 1.364 1.00 0.00 O ATOM 265 CB GLN A 16 -5.746 -8.722 2.998 1.00 0.00 C ATOM 266 CG GLN A 16 -6.551 -9.725 3.809 1.00 0.00 C ATOM 267 CD GLN A 16 -5.860 -10.117 5.101 1.00 0.00 C ATOM 268 OE1 GLN A 16 -6.203 -9.625 6.176 1.00 0.00 O ATOM 269 NE2 GLN A 16 -4.880 -11.007 5.002 1.00 0.00 N ATOM 0 H GLN A 16 -5.973 -7.709 5.232 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.486 -6.606 2.708 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.821 -8.978 1.941 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.694 -8.805 3.273 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.529 -9.301 4.038 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.724 -10.618 3.208 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.628 -11.389 4.090 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.379 -11.309 5.838 1.00 0.00 H new ATOM 278 N THR A 17 -8.621 -7.245 3.338 1.00 0.00 N ATOM 279 CA THR A 17 -9.983 -7.077 2.843 1.00 0.00 C ATOM 280 C THR A 17 -10.250 -5.620 2.482 1.00 0.00 C ATOM 281 O THR A 17 -10.750 -5.324 1.395 1.00 0.00 O ATOM 282 CB THR A 17 -10.980 -7.550 3.894 1.00 0.00 C ATOM 283 OG1 THR A 17 -10.730 -8.895 4.258 1.00 0.00 O ATOM 284 CG2 THR A 17 -12.420 -7.460 3.427 1.00 0.00 C ATOM 0 H THR A 17 -8.559 -7.507 4.322 1.00 0.00 H new ATOM 0 HA THR A 17 -10.101 -7.680 1.942 1.00 0.00 H new ATOM 0 HB THR A 17 -10.844 -6.883 4.745 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.856 -9.474 3.477 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.082 -7.811 4.219 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.660 -6.425 3.185 1.00 0.00 H new ATOM 0 HG23 THR A 17 -12.554 -8.080 2.541 1.00 0.00 H new ATOM 292 N LYS A 18 -9.928 -4.717 3.398 1.00 0.00 N ATOM 293 CA LYS A 18 -10.140 -3.291 3.176 1.00 0.00 C ATOM 294 C LYS A 18 -9.308 -2.792 2.000 1.00 0.00 C ATOM 295 O LYS A 18 -9.723 -1.892 1.270 1.00 0.00 O ATOM 296 CB LYS A 18 -9.786 -2.498 4.436 1.00 0.00 C ATOM 297 CG LYS A 18 -10.400 -1.110 4.476 1.00 0.00 C ATOM 298 CD LYS A 18 -10.650 -0.654 5.904 1.00 0.00 C ATOM 299 CE LYS A 18 -10.760 0.859 5.995 1.00 0.00 C ATOM 300 NZ LYS A 18 -11.240 1.302 7.330 1.00 0.00 N ATOM 0 H LYS A 18 -9.518 -4.946 4.304 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.194 -3.140 2.943 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.116 -3.057 5.311 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.702 -2.408 4.506 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.737 -0.403 3.978 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.339 -1.110 3.923 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.567 -1.110 6.277 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.839 -1.000 6.545 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.787 1.306 5.793 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.443 1.220 5.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.301 2.340 7.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.180 0.896 7.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.575 0.980 8.062 1.00 0.00 H new ATOM 314 N THR A 19 -8.130 -3.383 1.821 1.00 0.00 N ATOM 315 CA THR A 19 -7.240 -2.998 0.733 1.00 0.00 C ATOM 316 C THR A 19 -7.814 -3.418 -0.616 1.00 0.00 C ATOM 317 O THR A 19 -7.956 -2.600 -1.524 1.00 0.00 O ATOM 318 CB THR A 19 -5.859 -3.626 0.931 1.00 0.00 C ATOM 319 OG1 THR A 19 -5.650 -3.961 2.291 1.00 0.00 O ATOM 320 CG2 THR A 19 -4.723 -2.721 0.502 1.00 0.00 C ATOM 0 H THR A 19 -7.771 -4.130 2.416 1.00 0.00 H new ATOM 0 HA THR A 19 -7.144 -1.912 0.743 1.00 0.00 H new ATOM 0 HB THR A 19 -5.853 -4.515 0.300 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.795 -3.169 2.849 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.772 -3.227 0.669 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.827 -2.484 -0.557 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.751 -1.800 1.085 1.00 0.00 H new ATOM 328 N ALA A 20 -8.143 -4.700 -0.739 1.00 0.00 N ATOM 329 CA ALA A 20 -8.701 -5.230 -1.978 1.00 0.00 C ATOM 330 C ALA A 20 -10.020 -4.547 -2.326 1.00 0.00 C ATOM 331 O ALA A 20 -10.380 -4.441 -3.497 1.00 0.00 O ATOM 332 CB ALA A 20 -8.899 -6.733 -1.866 1.00 0.00 C ATOM 0 H ALA A 20 -8.033 -5.391 0.004 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.993 -5.025 -2.781 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.316 -7.115 -2.798 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.939 -7.213 -1.674 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.584 -6.950 -1.046 1.00 0.00 H new ATOM 338 N LYS A 21 -10.730 -4.086 -1.303 1.00 0.00 N ATOM 339 CA LYS A 21 -12.010 -3.416 -1.504 1.00 0.00 C ATOM 340 C LYS A 21 -11.810 -2.013 -2.070 1.00 0.00 C ATOM 341 O LYS A 21 -12.460 -1.628 -3.042 1.00 0.00 O ATOM 342 CB LYS A 21 -12.780 -3.341 -0.186 1.00 0.00 C ATOM 343 CG LYS A 21 -14.280 -3.178 -0.370 1.00 0.00 C ATOM 344 CD LYS A 21 -15.020 -3.306 0.952 1.00 0.00 C ATOM 345 CE LYS A 21 -16.410 -3.887 0.758 1.00 0.00 C ATOM 346 NZ LYS A 21 -16.460 -5.339 1.082 1.00 0.00 N ATOM 0 H LYS A 21 -10.442 -4.163 -0.328 1.00 0.00 H new ATOM 0 HA LYS A 21 -12.587 -3.998 -2.223 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.589 -4.247 0.390 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.401 -2.504 0.400 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.490 -2.204 -0.813 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.646 -3.931 -1.068 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.450 -3.942 1.629 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.097 -2.326 1.424 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -17.118 -3.350 1.390 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.725 -3.735 -0.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.426 -5.694 0.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.804 -5.856 0.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.185 -5.483 2.075 1.00 0.00 H new ATOM 360 N ASP A 22 -10.910 -1.252 -1.455 1.00 0.00 N ATOM 361 CA ASP A 22 -10.630 0.108 -1.895 1.00 0.00 C ATOM 362 C ASP A 22 -9.908 0.107 -3.238 1.00 0.00 C ATOM 363 O ASP A 22 -10.130 0.981 -4.075 1.00 0.00 O ATOM 364 CB ASP A 22 -9.797 0.841 -0.846 1.00 0.00 C ATOM 365 CG ASP A 22 -10.630 1.756 0.028 1.00 0.00 C ATOM 366 OD1 ASP A 22 -11.870 1.707 -0.078 1.00 0.00 O ATOM 367 OD2 ASP A 22 -10.040 2.521 0.821 1.00 0.00 O ATOM 0 H ASP A 22 -10.362 -1.556 -0.650 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.579 0.629 -2.019 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.287 0.111 -0.218 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.025 1.426 -1.345 1.00 0.00 H new ATOM 372 N LEU A 23 -9.040 -0.878 -3.436 1.00 0.00 N ATOM 373 CA LEU A 23 -8.281 -0.991 -4.676 1.00 0.00 C ATOM 374 C LEU A 23 -9.132 -1.618 -5.777 1.00 0.00 C ATOM 375 O LEU A 23 -9.091 -1.187 -6.930 1.00 0.00 O ATOM 376 CB LEU A 23 -7.016 -1.824 -4.453 1.00 0.00 C ATOM 377 CG LEU A 23 -5.754 -1.012 -4.152 1.00 0.00 C ATOM 378 CD1 LEU A 23 -5.469 -1.003 -2.657 1.00 0.00 C ATOM 379 CD2 LEU A 23 -4.565 -1.570 -4.919 1.00 0.00 C ATOM 0 H LEU A 23 -8.844 -1.610 -2.754 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.993 0.012 -4.990 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.193 -2.513 -3.627 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.837 -2.431 -5.341 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.920 0.015 -4.476 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.568 -0.421 -2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.311 -0.556 -2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.323 -2.025 -2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.677 -0.980 -4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.397 -2.606 -4.626 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.768 -1.524 -5.989 1.00 0.00 H new ATOM 391 N GLY A 24 -9.902 -2.638 -5.415 1.00 0.00 N ATOM 392 CA GLY A 24 -10.750 -3.308 -6.382 1.00 0.00 C ATOM 393 C GLY A 24 -10.110 -4.570 -6.933 1.00 0.00 C ATOM 394 O GLY A 24 -9.913 -4.693 -8.140 1.00 0.00 O ATOM 0 H GLY A 24 -9.954 -3.013 -4.468 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.702 -3.560 -5.914 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.970 -2.626 -7.204 1.00 0.00 H new ATOM 398 N VAL A 25 -9.809 -5.511 -6.045 1.00 0.00 N ATOM 399 CA VAL A 25 -9.195 -6.769 -6.450 1.00 0.00 C ATOM 400 C VAL A 25 -9.576 -7.897 -5.496 1.00 0.00 C ATOM 401 O VAL A 25 -10.320 -7.690 -4.541 1.00 0.00 O ATOM 402 CB VAL A 25 -7.660 -6.652 -6.504 1.00 0.00 C ATOM 403 CG1 VAL A 25 -7.230 -5.794 -7.683 1.00 0.00 C ATOM 404 CG2 VAL A 25 -7.121 -6.086 -5.199 1.00 0.00 C ATOM 0 H VAL A 25 -9.980 -5.427 -5.043 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.569 -6.999 -7.448 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.243 -7.650 -6.640 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.143 -5.723 -7.704 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.582 -6.247 -8.610 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.657 -4.796 -7.582 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.035 -6.011 -5.256 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.545 -5.096 -5.029 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.396 -6.745 -4.375 1.00 0.00 H new ATOM 414 N GLN A 26 -9.054 -9.090 -5.762 1.00 0.00 N ATOM 415 CA GLN A 26 -9.338 -10.250 -4.929 1.00 0.00 C ATOM 416 C GLN A 26 -8.304 -10.383 -3.816 1.00 0.00 C ATOM 417 O GLN A 26 -7.109 -10.194 -4.038 1.00 0.00 O ATOM 418 CB GLN A 26 -9.361 -11.523 -5.776 1.00 0.00 C ATOM 419 CG GLN A 26 -8.191 -11.635 -6.739 1.00 0.00 C ATOM 420 CD GLN A 26 -8.547 -11.191 -8.143 1.00 0.00 C ATOM 421 OE1 GLN A 26 -9.704 -10.891 -8.437 1.00 0.00 O ATOM 422 NE2 GLN A 26 -7.551 -11.144 -9.020 1.00 0.00 N ATOM 0 H GLN A 26 -8.432 -9.277 -6.548 1.00 0.00 H new ATOM 0 HA GLN A 26 -10.319 -10.109 -4.476 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.360 -12.389 -5.115 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.291 -11.555 -6.343 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.362 -11.031 -6.370 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.845 -12.668 -6.766 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.607 -11.401 -8.733 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.730 -10.850 -9.980 1.00 0.00 H new ATOM 431 N GLN A 27 -8.777 -10.706 -2.618 1.00 0.00 N ATOM 432 CA GLN A 27 -7.900 -10.864 -1.461 1.00 0.00 C ATOM 433 C GLN A 27 -6.779 -11.858 -1.747 1.00 0.00 C ATOM 434 O GLN A 27 -5.717 -11.808 -1.125 1.00 0.00 O ATOM 435 CB GLN A 27 -8.705 -11.321 -0.244 1.00 0.00 C ATOM 436 CG GLN A 27 -9.859 -10.397 0.104 1.00 0.00 C ATOM 437 CD GLN A 27 -11.030 -11.137 0.719 1.00 0.00 C ATOM 438 OE1 GLN A 27 -11.130 -11.255 1.939 1.00 0.00 O ATOM 439 NE2 GLN A 27 -11.920 -11.639 -0.129 1.00 0.00 N ATOM 0 H GLN A 27 -9.765 -10.864 -2.421 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.449 -9.895 -1.249 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.095 -12.321 -0.432 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.038 -11.395 0.615 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.511 -9.632 0.799 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.192 -9.881 -0.797 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.794 -11.515 -1.134 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.730 -12.149 0.224 1.00 0.00 H new ATOM 448 N SER A 28 -7.021 -12.760 -2.689 1.00 0.00 N ATOM 449 CA SER A 28 -6.034 -13.766 -3.058 1.00 0.00 C ATOM 450 C SER A 28 -4.782 -13.111 -3.634 1.00 0.00 C ATOM 451 O SER A 28 -3.671 -13.612 -3.460 1.00 0.00 O ATOM 452 CB SER A 28 -6.626 -14.746 -4.072 1.00 0.00 C ATOM 453 OG SER A 28 -7.066 -14.071 -5.237 1.00 0.00 O ATOM 0 H SER A 28 -7.895 -12.816 -3.213 1.00 0.00 H new ATOM 0 HA SER A 28 -5.755 -14.314 -2.158 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.878 -15.492 -4.341 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.462 -15.281 -3.620 1.00 0.00 H new ATOM 0 HG SER A 28 -7.439 -14.720 -5.870 1.00 0.00 H new ATOM 459 N ALA A 29 -4.971 -11.990 -4.322 1.00 0.00 N ATOM 460 CA ALA A 29 -3.858 -11.265 -4.923 1.00 0.00 C ATOM 461 C ALA A 29 -3.043 -10.536 -3.863 1.00 0.00 C ATOM 462 O ALA A 29 -1.813 -10.516 -3.916 1.00 0.00 O ATOM 463 CB ALA A 29 -4.371 -10.284 -5.967 1.00 0.00 C ATOM 0 H ALA A 29 -5.885 -11.564 -4.477 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.205 -11.988 -5.411 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.530 -9.749 -6.408 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.904 -10.828 -6.747 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.047 -9.571 -5.495 1.00 0.00 H new ATOM 469 N ILE A 30 -3.734 -9.938 -2.897 1.00 0.00 N ATOM 470 CA ILE A 30 -3.072 -9.211 -1.822 1.00 0.00 C ATOM 471 C ILE A 30 -2.163 -10.137 -1.024 1.00 0.00 C ATOM 472 O ILE A 30 -1.008 -9.805 -0.750 1.00 0.00 O ATOM 473 CB ILE A 30 -4.091 -8.558 -0.868 1.00 0.00 C ATOM 474 CG1 ILE A 30 -5.131 -7.760 -1.657 1.00 0.00 C ATOM 475 CG2 ILE A 30 -3.377 -7.661 0.134 1.00 0.00 C ATOM 476 CD1 ILE A 30 -4.530 -6.714 -2.570 1.00 0.00 C ATOM 0 H ILE A 30 -4.752 -9.943 -2.838 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.476 -8.426 -2.287 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.608 -9.346 -0.321 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.729 -8.449 -2.253 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.809 -7.272 -0.957 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.109 -7.206 0.801 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.674 -8.255 0.717 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.837 -6.879 -0.399 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.327 -6.189 -3.096 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.955 -6.002 -1.978 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.874 -7.197 -3.294 1.00 0.00 H new ATOM 488 N ASN A 31 -2.688 -11.300 -0.657 1.00 0.00 N ATOM 489 CA ASN A 31 -1.923 -12.277 0.105 1.00 0.00 C ATOM 490 C ASN A 31 -0.727 -12.772 -0.700 1.00 0.00 C ATOM 491 O ASN A 31 0.328 -13.075 -0.142 1.00 0.00 O ATOM 492 CB ASN A 31 -2.811 -13.458 0.501 1.00 0.00 C ATOM 493 CG ASN A 31 -2.446 -14.026 1.859 1.00 0.00 C ATOM 494 OD1 ASN A 31 -1.276 -14.052 2.239 1.00 0.00 O ATOM 495 ND2 ASN A 31 -3.449 -14.486 2.597 1.00 0.00 N ATOM 0 H ASN A 31 -3.642 -11.589 -0.876 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.556 -11.791 1.009 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.853 -13.138 0.512 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -2.726 -14.241 -0.252 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.264 -14.881 3.519 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.404 -14.444 2.242 1.00 0.00 H new ATOM 502 N LYS A 32 -0.899 -12.851 -2.015 1.00 0.00 N ATOM 503 CA LYS A 32 0.163 -13.309 -2.898 1.00 0.00 C ATOM 504 C LYS A 32 1.263 -12.263 -3.021 1.00 0.00 C ATOM 505 O LYS A 32 2.423 -12.590 -3.272 1.00 0.00 O ATOM 506 CB LYS A 32 -0.400 -13.638 -4.283 1.00 0.00 C ATOM 507 CG LYS A 32 -1.292 -14.866 -4.303 1.00 0.00 C ATOM 508 CD LYS A 32 -0.497 -16.128 -4.594 1.00 0.00 C ATOM 509 CE LYS A 32 -0.044 -16.179 -6.043 1.00 0.00 C ATOM 510 NZ LYS A 32 -1.058 -16.828 -6.920 1.00 0.00 N ATOM 0 H LYS A 32 -1.766 -12.603 -2.492 1.00 0.00 H new ATOM 0 HA LYS A 32 0.593 -14.211 -2.464 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.967 -12.782 -4.648 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.428 -13.790 -4.975 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.796 -14.966 -3.342 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.068 -14.741 -5.059 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.373 -16.171 -3.938 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.107 -17.003 -4.372 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.149 -15.167 -6.399 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.897 -16.725 -6.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.711 -16.843 -7.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.224 -17.802 -6.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.948 -16.292 -6.876 1.00 0.00 H new ATOM 524 N TRP A 33 0.888 -11.003 -2.848 1.00 0.00 N ATOM 525 CA TRP A 33 1.824 -9.904 -2.942 1.00 0.00 C ATOM 526 C TRP A 33 2.797 -9.904 -1.767 1.00 0.00 C ATOM 527 O TRP A 33 4.005 -9.757 -1.950 1.00 0.00 O ATOM 528 CB TRP A 33 1.033 -8.607 -2.984 1.00 0.00 C ATOM 529 CG TRP A 33 0.308 -8.409 -4.265 1.00 0.00 C ATOM 530 CD1 TRP A 33 0.488 -9.119 -5.400 1.00 0.00 C ATOM 531 CD2 TRP A 33 -0.721 -7.461 -4.538 1.00 0.00 C ATOM 532 NE1 TRP A 33 -0.353 -8.663 -6.386 1.00 0.00 N ATOM 533 CE2 TRP A 33 -1.108 -7.642 -5.877 1.00 0.00 C ATOM 534 CE3 TRP A 33 -1.344 -6.477 -3.780 1.00 0.00 C ATOM 535 CZ2 TRP A 33 -2.096 -6.867 -6.476 1.00 0.00 C ATOM 536 CZ3 TRP A 33 -2.329 -5.706 -4.370 1.00 0.00 C ATOM 537 CH2 TRP A 33 -2.697 -5.905 -5.709 1.00 0.00 C ATOM 0 H TRP A 33 -0.070 -10.720 -2.640 1.00 0.00 H new ATOM 0 HA TRP A 33 2.419 -10.009 -3.849 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.316 -8.598 -2.163 1.00 0.00 H new ATOM 0 HB3 TRP A 33 1.711 -7.769 -2.824 1.00 0.00 H new ATOM 0 HD1 TRP A 33 1.192 -9.929 -5.516 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -0.406 -9.025 -7.338 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.064 -6.317 -2.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.378 -7.018 -7.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -2.822 -4.939 -3.791 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -3.469 -5.287 -6.143 1.00 0.00 H new ATOM 548 N ILE A 34 2.262 -10.073 -0.563 1.00 0.00 N ATOM 549 CA ILE A 34 3.082 -10.099 0.642 1.00 0.00 C ATOM 550 C ILE A 34 3.746 -11.460 0.823 1.00 0.00 C ATOM 551 O ILE A 34 4.821 -11.565 1.415 1.00 0.00 O ATOM 552 CB ILE A 34 2.250 -9.775 1.898 1.00 0.00 C ATOM 553 CG1 ILE A 34 1.384 -8.538 1.661 1.00 0.00 C ATOM 554 CG2 ILE A 34 3.162 -9.570 3.099 1.00 0.00 C ATOM 555 CD1 ILE A 34 0.371 -8.288 2.757 1.00 0.00 C ATOM 0 H ILE A 34 1.263 -10.194 -0.396 1.00 0.00 H new ATOM 0 HA ILE A 34 3.849 -9.335 0.519 1.00 0.00 H new ATOM 0 HB ILE A 34 1.592 -10.619 2.106 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.030 -7.665 1.569 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.860 -8.648 0.712 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.560 -9.342 3.978 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.737 -10.478 3.279 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.843 -8.743 2.901 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.207 -7.395 2.521 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.299 -9.144 2.835 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.889 -8.145 3.705 1.00 0.00 H new ATOM 567 N HIS A 35 3.098 -12.499 0.309 1.00 0.00 N ATOM 568 CA HIS A 35 3.618 -13.857 0.407 1.00 0.00 C ATOM 569 C HIS A 35 5.007 -13.957 -0.209 1.00 0.00 C ATOM 570 O HIS A 35 5.836 -14.758 0.221 1.00 0.00 O ATOM 571 CB HIS A 35 2.672 -14.830 -0.296 1.00 0.00 C ATOM 572 CG HIS A 35 1.806 -15.622 0.634 1.00 0.00 C ATOM 573 ND1 HIS A 35 1.734 -15.388 1.992 1.00 0.00 N ATOM 574 CD2 HIS A 35 0.968 -16.654 0.387 1.00 0.00 C ATOM 575 CE1 HIS A 35 0.891 -16.244 2.540 1.00 0.00 C ATOM 576 NE2 HIS A 35 0.411 -17.024 1.587 1.00 0.00 N ATOM 0 H HIS A 35 2.207 -12.426 -0.182 1.00 0.00 H new ATOM 0 HA HIS A 35 3.690 -14.117 1.463 1.00 0.00 H new ATOM 0 HB2 HIS A 35 2.034 -14.270 -0.980 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.261 -15.519 -0.902 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.773 -17.104 -0.575 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.637 -16.298 3.588 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -0.263 -17.778 1.721 1.00 0.00 H new ATOM 585 N ALA A 36 5.247 -13.138 -1.220 1.00 0.00 N ATOM 586 CA ALA A 36 6.529 -13.127 -1.910 1.00 0.00 C ATOM 587 C ALA A 36 7.370 -11.916 -1.510 1.00 0.00 C ATOM 588 O ALA A 36 8.579 -11.892 -1.731 1.00 0.00 O ATOM 589 CB ALA A 36 6.308 -13.151 -3.415 1.00 0.00 C ATOM 0 H ALA A 36 4.568 -12.469 -1.583 1.00 0.00 H new ATOM 0 HA ALA A 36 7.081 -14.020 -1.616 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.272 -13.143 -3.924 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.761 -14.053 -3.688 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.733 -12.274 -3.712 1.00 0.00 H new ATOM 595 N GLY A 37 6.723 -10.917 -0.917 1.00 0.00 N ATOM 596 CA GLY A 37 7.432 -9.724 -0.495 1.00 0.00 C ATOM 597 C GLY A 37 7.620 -8.728 -1.622 1.00 0.00 C ATOM 598 O GLY A 37 8.655 -8.068 -1.710 1.00 0.00 O ATOM 0 H GLY A 37 5.722 -10.913 -0.722 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.883 -9.248 0.318 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.407 -10.007 -0.098 1.00 0.00 H new ATOM 602 N ARG A 38 6.617 -8.617 -2.485 1.00 0.00 N ATOM 603 CA ARG A 38 6.678 -7.693 -3.612 1.00 0.00 C ATOM 604 C ARG A 38 6.647 -6.246 -3.129 1.00 0.00 C ATOM 605 O ARG A 38 5.677 -5.809 -2.510 1.00 0.00 O ATOM 606 CB ARG A 38 5.512 -7.947 -4.571 1.00 0.00 C ATOM 607 CG ARG A 38 5.730 -7.369 -5.959 1.00 0.00 C ATOM 608 CD ARG A 38 4.786 -7.990 -6.977 1.00 0.00 C ATOM 609 NE ARG A 38 5.362 -8.007 -8.319 1.00 0.00 N ATOM 610 CZ ARG A 38 6.256 -8.902 -8.731 1.00 0.00 C ATOM 611 NH1 ARG A 38 6.680 -9.854 -7.911 1.00 0.00 N ATOM 612 NH2 ARG A 38 6.730 -8.844 -9.969 1.00 0.00 N ATOM 0 H ARG A 38 5.752 -9.155 -2.426 1.00 0.00 H new ATOM 0 HA ARG A 38 7.617 -7.863 -4.139 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.349 -9.021 -4.655 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.604 -7.519 -4.147 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.579 -6.290 -5.932 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.762 -7.539 -6.267 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.545 -9.009 -6.673 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.850 -7.431 -6.991 1.00 0.00 H new ATOM 0 HE ARG A 38 5.061 -7.290 -8.979 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.321 -9.903 -6.958 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.366 -10.537 -8.234 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.409 -8.113 -10.604 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.415 -9.530 -10.285 1.00 0.00 H new ATOM 626 N LYS A 39 7.714 -5.509 -3.415 1.00 0.00 N ATOM 627 CA LYS A 39 7.810 -4.112 -3.008 1.00 0.00 C ATOM 628 C LYS A 39 6.746 -3.268 -3.703 1.00 0.00 C ATOM 629 O LYS A 39 6.832 -3.005 -4.902 1.00 0.00 O ATOM 630 CB LYS A 39 9.203 -3.561 -3.324 1.00 0.00 C ATOM 631 CG LYS A 39 10.171 -3.649 -2.155 1.00 0.00 C ATOM 632 CD LYS A 39 11.332 -2.680 -2.317 1.00 0.00 C ATOM 633 CE LYS A 39 10.852 -1.237 -2.356 1.00 0.00 C ATOM 634 NZ LYS A 39 10.843 -0.691 -3.741 1.00 0.00 N ATOM 0 H LYS A 39 8.525 -5.856 -3.927 1.00 0.00 H new ATOM 0 HA LYS A 39 7.642 -4.061 -1.932 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.618 -4.108 -4.171 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.112 -2.519 -3.632 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.642 -3.433 -1.227 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.554 -4.666 -2.074 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.033 -2.809 -1.492 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.874 -2.909 -3.235 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.848 -1.177 -1.936 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.497 -0.623 -1.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.701 -0.123 -3.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.819 -1.476 -4.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.003 -0.092 -3.873 1.00 0.00 H new ATOM 648 N ILE A 40 5.742 -2.845 -2.940 1.00 0.00 N ATOM 649 CA ILE A 40 4.662 -2.029 -3.479 1.00 0.00 C ATOM 650 C ILE A 40 4.286 -0.908 -2.518 1.00 0.00 C ATOM 651 O ILE A 40 4.574 -0.979 -1.323 1.00 0.00 O ATOM 652 CB ILE A 40 3.410 -2.878 -3.775 1.00 0.00 C ATOM 653 CG1 ILE A 40 3.781 -4.102 -4.613 1.00 0.00 C ATOM 654 CG2 ILE A 40 2.356 -2.040 -4.486 1.00 0.00 C ATOM 655 CD1 ILE A 40 2.590 -4.944 -5.016 1.00 0.00 C ATOM 0 H ILE A 40 5.655 -3.055 -1.946 1.00 0.00 H new ATOM 0 HA ILE A 40 5.028 -1.597 -4.410 1.00 0.00 H new ATOM 0 HB ILE A 40 2.993 -3.224 -2.829 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.303 -3.772 -5.511 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.478 -4.721 -4.048 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.478 -2.654 -4.688 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.073 -1.199 -3.854 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.762 -1.667 -5.426 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.929 -5.794 -5.608 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.080 -5.304 -4.123 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.902 -4.341 -5.608 1.00 0.00 H new ATOM 667 N PHE A 41 3.639 0.125 -3.047 1.00 0.00 N ATOM 668 CA PHE A 41 3.219 1.262 -2.236 1.00 0.00 C ATOM 669 C PHE A 41 1.843 1.757 -2.667 1.00 0.00 C ATOM 670 O PHE A 41 1.654 2.176 -3.809 1.00 0.00 O ATOM 671 CB PHE A 41 4.237 2.398 -2.341 1.00 0.00 C ATOM 672 CG PHE A 41 5.563 2.079 -1.711 1.00 0.00 C ATOM 673 CD1 PHE A 41 5.775 2.309 -0.361 1.00 0.00 C ATOM 674 CD2 PHE A 41 6.594 1.546 -2.468 1.00 0.00 C ATOM 675 CE1 PHE A 41 6.993 2.014 0.221 1.00 0.00 C ATOM 676 CE2 PHE A 41 7.813 1.249 -1.891 1.00 0.00 C ATOM 677 CZ PHE A 41 8.013 1.484 -0.545 1.00 0.00 C ATOM 0 H PHE A 41 3.394 0.198 -4.034 1.00 0.00 H new ATOM 0 HA PHE A 41 3.160 0.933 -1.199 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.393 2.639 -3.393 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.824 3.289 -1.868 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.980 2.723 0.242 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.443 1.361 -3.521 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.147 2.198 1.274 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.609 0.834 -2.492 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.966 1.254 -0.092 1.00 0.00 H new ATOM 687 N LEU A 42 0.886 1.705 -1.747 1.00 0.00 N ATOM 688 CA LEU A 42 -0.470 2.149 -2.036 1.00 0.00 C ATOM 689 C LEU A 42 -0.715 3.545 -1.469 1.00 0.00 C ATOM 690 O LEU A 42 -0.343 3.839 -0.333 1.00 0.00 O ATOM 691 CB LEU A 42 -1.491 1.157 -1.466 1.00 0.00 C ATOM 692 CG LEU A 42 -1.623 1.147 0.061 1.00 0.00 C ATOM 693 CD1 LEU A 42 -2.975 0.587 0.475 1.00 0.00 C ATOM 694 CD2 LEU A 42 -0.493 0.341 0.690 1.00 0.00 C ATOM 0 H LEU A 42 1.025 1.360 -0.797 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.591 2.192 -3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.467 1.381 -1.896 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.220 0.154 -1.796 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.552 2.174 0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.051 0.587 1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.769 1.205 0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.075 -0.433 0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.603 0.345 1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.531 -0.685 0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.465 0.786 0.421 1.00 0.00 H new ATOM 706 N THR A 43 -1.333 4.403 -2.273 1.00 0.00 N ATOM 707 CA THR A 43 -1.620 5.770 -1.852 1.00 0.00 C ATOM 708 C THR A 43 -3.071 5.914 -1.408 1.00 0.00 C ATOM 709 O THR A 43 -3.994 5.757 -2.208 1.00 0.00 O ATOM 710 CB THR A 43 -1.322 6.749 -2.987 1.00 0.00 C ATOM 711 OG1 THR A 43 -0.036 6.512 -3.531 1.00 0.00 O ATOM 712 CG2 THR A 43 -1.378 8.199 -2.557 1.00 0.00 C ATOM 0 H THR A 43 -1.644 4.177 -3.218 1.00 0.00 H new ATOM 0 HA THR A 43 -0.977 6.002 -1.003 1.00 0.00 H new ATOM 0 HB THR A 43 -2.102 6.576 -3.729 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.134 7.148 -4.257 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.157 8.840 -3.410 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.374 8.428 -2.179 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.643 8.374 -1.771 1.00 0.00 H new ATOM 720 N ILE A 44 -3.265 6.216 -0.128 1.00 0.00 N ATOM 721 CA ILE A 44 -4.604 6.384 0.422 1.00 0.00 C ATOM 722 C ILE A 44 -5.093 7.819 0.248 1.00 0.00 C ATOM 723 O ILE A 44 -4.386 8.770 0.578 1.00 0.00 O ATOM 724 CB ILE A 44 -4.649 6.019 1.918 1.00 0.00 C ATOM 725 CG1 ILE A 44 -3.985 4.661 2.155 1.00 0.00 C ATOM 726 CG2 ILE A 44 -6.086 6.004 2.418 1.00 0.00 C ATOM 727 CD1 ILE A 44 -3.838 4.307 3.618 1.00 0.00 C ATOM 0 H ILE A 44 -2.512 6.349 0.547 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.258 5.708 -0.129 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.098 6.776 2.477 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.572 3.887 1.660 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.000 4.661 1.689 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.100 5.744 3.477 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.529 6.990 2.280 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.659 5.267 1.856 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.360 3.332 3.710 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.226 5.060 4.115 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.822 4.274 4.085 1.00 0.00 H new ATOM 739 N ASN A 45 -6.307 7.965 -0.271 1.00 0.00 N ATOM 740 CA ASN A 45 -6.891 9.282 -0.489 1.00 0.00 C ATOM 741 C ASN A 45 -7.720 9.718 0.716 1.00 0.00 C ATOM 742 O ASN A 45 -8.023 8.913 1.597 1.00 0.00 O ATOM 743 CB ASN A 45 -7.765 9.275 -1.745 1.00 0.00 C ATOM 744 CG ASN A 45 -6.945 9.205 -3.019 1.00 0.00 C ATOM 745 OD1 ASN A 45 -5.717 9.296 -2.987 1.00 0.00 O ATOM 746 ND2 ASN A 45 -7.622 9.043 -4.150 1.00 0.00 N ATOM 0 H ASN A 45 -6.905 7.187 -0.548 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.076 9.993 -0.624 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.445 8.424 -1.707 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -8.381 10.174 -1.761 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -7.125 8.989 -5.039 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -8.639 8.972 -4.130 1.00 0.00 H new ATOM 753 N ALA A 46 -8.082 10.996 0.746 1.00 0.00 N ATOM 754 CA ALA A 46 -8.878 11.538 1.842 1.00 0.00 C ATOM 755 C ALA A 46 -10.360 11.202 1.680 1.00 0.00 C ATOM 756 O ALA A 46 -11.170 11.537 2.538 1.00 0.00 O ATOM 757 CB ALA A 46 -8.686 13.044 1.934 1.00 0.00 C ATOM 0 H ALA A 46 -7.838 11.675 0.025 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.532 11.075 2.766 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.285 13.438 2.755 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.634 13.266 2.113 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.001 13.509 1.000 1.00 0.00 H new ATOM 763 N ASP A 47 -10.700 10.537 0.579 1.00 0.00 N ATOM 764 CA ASP A 47 -12.080 10.159 0.313 1.00 0.00 C ATOM 765 C ASP A 47 -12.290 8.665 0.537 1.00 0.00 C ATOM 766 O ASP A 47 -13.420 8.211 0.733 1.00 0.00 O ATOM 767 CB ASP A 47 -12.480 10.531 -1.121 1.00 0.00 C ATOM 768 CG ASP A 47 -11.290 10.732 -2.042 1.00 0.00 C ATOM 769 OD1 ASP A 47 -10.590 9.740 -2.327 1.00 0.00 O ATOM 770 OD2 ASP A 47 -11.060 11.880 -2.477 1.00 0.00 O ATOM 0 H ASP A 47 -10.037 10.250 -0.141 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.713 10.709 1.009 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.118 9.746 -1.528 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.073 11.445 -1.100 1.00 0.00 H new ATOM 775 N GLY A 48 -11.210 7.904 0.506 1.00 0.00 N ATOM 776 CA GLY A 48 -11.290 6.470 0.704 1.00 0.00 C ATOM 777 C GLY A 48 -10.820 5.683 -0.503 1.00 0.00 C ATOM 778 O GLY A 48 -10.950 4.460 -0.544 1.00 0.00 O ATOM 0 H GLY A 48 -10.267 8.257 0.345 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.688 6.193 1.569 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.320 6.196 0.932 1.00 0.00 H new ATOM 782 N SER A 49 -10.260 6.383 -1.487 1.00 0.00 N ATOM 783 CA SER A 49 -9.758 5.737 -2.693 1.00 0.00 C ATOM 784 C SER A 49 -8.272 5.422 -2.557 1.00 0.00 C ATOM 785 O SER A 49 -7.462 6.308 -2.290 1.00 0.00 O ATOM 786 CB SER A 49 -9.998 6.626 -3.909 1.00 0.00 C ATOM 787 OG SER A 49 -10.840 5.991 -4.847 1.00 0.00 O ATOM 0 H SER A 49 -10.143 7.396 -1.471 1.00 0.00 H new ATOM 0 HA SER A 49 -10.298 4.800 -2.830 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.447 7.567 -3.592 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.045 6.870 -4.378 1.00 0.00 H new ATOM 0 HG SER A 49 -10.979 6.583 -5.615 1.00 0.00 H new ATOM 793 N VAL A 50 -7.923 4.153 -2.737 1.00 0.00 N ATOM 794 CA VAL A 50 -6.535 3.723 -2.628 1.00 0.00 C ATOM 795 C VAL A 50 -6.095 2.956 -3.870 1.00 0.00 C ATOM 796 O VAL A 50 -6.833 2.119 -4.389 1.00 0.00 O ATOM 797 CB VAL A 50 -6.311 2.835 -1.388 1.00 0.00 C ATOM 798 CG1 VAL A 50 -4.845 2.847 -0.985 1.00 0.00 C ATOM 799 CG2 VAL A 50 -7.190 3.286 -0.229 1.00 0.00 C ATOM 0 H VAL A 50 -8.581 3.406 -2.959 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.936 4.628 -2.530 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.592 1.814 -1.645 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.704 2.215 -0.108 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.238 2.467 -1.807 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.540 3.867 -0.750 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.013 2.643 0.633 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.949 4.317 0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.238 3.221 -0.521 1.00 0.00 H new ATOM 809 N TYR A 51 -4.888 3.247 -4.341 1.00 0.00 N ATOM 810 CA TYR A 51 -4.347 2.583 -5.522 1.00 0.00 C ATOM 811 C TYR A 51 -2.910 2.135 -5.283 1.00 0.00 C ATOM 812 O TYR A 51 -2.091 2.892 -4.760 1.00 0.00 O ATOM 813 CB TYR A 51 -4.410 3.515 -6.734 1.00 0.00 C ATOM 814 CG TYR A 51 -3.689 4.828 -6.530 1.00 0.00 C ATOM 815 CD1 TYR A 51 -4.290 5.871 -5.836 1.00 0.00 C ATOM 816 CD2 TYR A 51 -2.409 5.024 -7.030 1.00 0.00 C ATOM 817 CE1 TYR A 51 -3.634 7.075 -5.649 1.00 0.00 C ATOM 818 CE2 TYR A 51 -1.746 6.223 -6.847 1.00 0.00 C ATOM 819 CZ TYR A 51 -2.364 7.245 -6.157 1.00 0.00 C ATOM 820 OH TYR A 51 -1.709 8.440 -5.972 1.00 0.00 O ATOM 0 H TYR A 51 -4.265 3.938 -3.923 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.955 1.701 -5.722 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.980 3.005 -7.596 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.454 3.717 -6.972 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.285 5.740 -5.436 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.923 4.226 -7.571 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.114 7.877 -5.108 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.750 6.359 -7.242 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.824 8.396 -6.390 1.00 0.00 H new ATOM 830 N ALA A 52 -2.608 0.899 -5.667 1.00 0.00 N ATOM 831 CA ALA A 52 -1.269 0.350 -5.493 1.00 0.00 C ATOM 832 C ALA A 52 -0.328 0.838 -6.589 1.00 0.00 C ATOM 833 O ALA A 52 -0.585 0.637 -7.776 1.00 0.00 O ATOM 834 CB ALA A 52 -1.321 -1.170 -5.477 1.00 0.00 C ATOM 0 H ALA A 52 -3.273 0.259 -6.101 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.881 0.700 -4.536 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.314 -1.567 -5.346 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.952 -1.504 -4.654 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.734 -1.530 -6.420 1.00 0.00 H new ATOM 840 N GLU A 53 0.762 1.479 -6.183 1.00 0.00 N ATOM 841 CA GLU A 53 1.743 1.997 -7.129 1.00 0.00 C ATOM 842 C GLU A 53 3.083 1.286 -6.967 1.00 0.00 C ATOM 843 O GLU A 53 3.301 0.566 -5.993 1.00 0.00 O ATOM 844 CB GLU A 53 1.925 3.502 -6.936 1.00 0.00 C ATOM 845 CG GLU A 53 0.982 4.344 -7.781 1.00 0.00 C ATOM 846 CD GLU A 53 1.597 5.662 -8.210 1.00 0.00 C ATOM 847 OE1 GLU A 53 2.805 5.863 -7.966 1.00 0.00 O ATOM 848 OE2 GLU A 53 0.868 6.495 -8.789 1.00 0.00 O ATOM 0 H GLU A 53 0.989 1.653 -5.204 1.00 0.00 H new ATOM 0 HA GLU A 53 1.372 1.810 -8.137 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.773 3.746 -5.885 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.953 3.769 -7.179 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.692 3.778 -8.666 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.071 4.540 -7.215 1.00 0.00 H new ATOM 855 N GLU A 54 3.978 1.493 -7.928 1.00 0.00 N ATOM 856 CA GLU A 54 5.296 0.872 -7.890 1.00 0.00 C ATOM 857 C GLU A 54 6.396 1.928 -7.922 1.00 0.00 C ATOM 858 O GLU A 54 6.166 3.068 -8.320 1.00 0.00 O ATOM 859 CB GLU A 54 5.464 -0.091 -9.068 1.00 0.00 C ATOM 860 CG GLU A 54 6.338 -1.294 -8.750 1.00 0.00 C ATOM 861 CD GLU A 54 7.665 -1.263 -9.484 1.00 0.00 C ATOM 862 OE1 GLU A 54 8.109 -0.159 -9.862 1.00 0.00 O ATOM 863 OE2 GLU A 54 8.259 -2.344 -9.680 1.00 0.00 O ATOM 0 H GLU A 54 3.814 2.086 -8.742 1.00 0.00 H new ATOM 0 HA GLU A 54 5.380 0.313 -6.958 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.481 -0.440 -9.384 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.897 0.450 -9.910 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.522 -1.331 -7.676 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.803 -2.206 -9.013 1.00 0.00 H new ATOM 870 N VAL A 55 7.596 1.538 -7.500 1.00 0.00 N ATOM 871 CA VAL A 55 8.733 2.449 -7.478 1.00 0.00 C ATOM 872 C VAL A 55 10.014 1.740 -7.901 1.00 0.00 C ATOM 873 O VAL A 55 10.704 1.139 -7.078 1.00 0.00 O ATOM 874 CB VAL A 55 8.937 3.060 -6.080 1.00 0.00 C ATOM 875 CG1 VAL A 55 9.993 4.155 -6.123 1.00 0.00 C ATOM 876 CG2 VAL A 55 7.623 3.599 -5.536 1.00 0.00 C ATOM 0 H VAL A 55 7.805 0.596 -7.169 1.00 0.00 H new ATOM 0 HA VAL A 55 8.511 3.247 -8.186 1.00 0.00 H new ATOM 0 HB VAL A 55 9.288 2.276 -5.409 1.00 0.00 H new ATOM 0 HG11 VAL A 55 10.123 4.575 -5.125 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.939 3.735 -6.466 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.675 4.941 -6.808 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.787 4.027 -4.547 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.240 4.369 -6.206 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.899 2.788 -5.465 1.00 0.00 H new ATOM 886 N LYS A 56 10.327 1.813 -9.191 1.00 0.00 N ATOM 887 CA LYS A 56 11.527 1.177 -9.723 1.00 0.00 C ATOM 888 C LYS A 56 12.684 2.173 -9.790 1.00 0.00 C ATOM 889 O LYS A 56 12.514 3.302 -10.251 1.00 0.00 O ATOM 890 CB LYS A 56 11.250 0.604 -11.115 1.00 0.00 C ATOM 891 CG LYS A 56 11.916 -0.739 -11.363 1.00 0.00 C ATOM 892 CD LYS A 56 13.213 -0.584 -12.142 1.00 0.00 C ATOM 893 CE LYS A 56 13.541 -1.839 -12.934 1.00 0.00 C ATOM 894 NZ LYS A 56 13.200 -1.691 -14.376 1.00 0.00 N ATOM 0 H LYS A 56 9.767 2.306 -9.887 1.00 0.00 H new ATOM 0 HA LYS A 56 11.808 0.365 -9.053 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.173 0.496 -11.247 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.594 1.315 -11.866 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.119 -1.227 -10.410 1.00 0.00 H new ATOM 0 HG3 LYS A 56 11.235 -1.388 -11.914 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.132 0.265 -12.821 1.00 0.00 H new ATOM 0 HD3 LYS A 56 14.028 -0.364 -11.453 1.00 0.00 H new ATOM 0 HE2 LYS A 56 14.603 -2.065 -12.833 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.994 -2.685 -12.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.439 -2.568 -14.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.182 -1.501 -14.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.740 -0.900 -14.781 1.00 0.00 H new ATOM 908 N PRO A 57 13.884 1.770 -9.331 1.00 0.00 N ATOM 909 CA PRO A 57 15.065 2.638 -9.347 1.00 0.00 C ATOM 910 C PRO A 57 15.640 2.810 -10.747 1.00 0.00 C ATOM 911 O PRO A 57 15.630 1.879 -11.552 1.00 0.00 O ATOM 912 CB PRO A 57 16.055 1.895 -8.449 1.00 0.00 C ATOM 913 CG PRO A 57 15.677 0.462 -8.579 1.00 0.00 C ATOM 914 CD PRO A 57 14.183 0.439 -8.765 1.00 0.00 C ATOM 0 HA PRO A 57 14.835 3.649 -9.011 1.00 0.00 H new ATOM 0 HB2 PRO A 57 17.084 2.064 -8.768 1.00 0.00 H new ATOM 0 HB3 PRO A 57 15.982 2.232 -7.415 1.00 0.00 H new ATOM 0 HG2 PRO A 57 16.182 0.001 -9.428 1.00 0.00 H new ATOM 0 HG3 PRO A 57 15.968 -0.100 -7.691 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.875 -0.361 -9.438 1.00 0.00 H new ATOM 0 HD3 PRO A 57 13.664 0.279 -7.820 1.00 0.00 H new ATOM 922 N ASP A 58 16.141 4.008 -11.032 1.00 0.00 N ATOM 923 CA ASP A 58 16.721 4.304 -12.337 1.00 0.00 C ATOM 924 C ASP A 58 18.104 4.934 -12.187 1.00 0.00 C ATOM 925 O ASP A 58 18.283 6.127 -12.435 1.00 0.00 O ATOM 926 CB ASP A 58 15.803 5.238 -13.127 1.00 0.00 C ATOM 927 CG ASP A 58 15.856 4.974 -14.619 1.00 0.00 C ATOM 928 OD1 ASP A 58 15.825 3.790 -15.014 1.00 0.00 O ATOM 929 OD2 ASP A 58 15.930 5.953 -15.392 1.00 0.00 O ATOM 0 H ASP A 58 16.157 4.789 -10.377 1.00 0.00 H new ATOM 0 HA ASP A 58 16.827 3.366 -12.882 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.778 5.118 -12.776 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.088 6.272 -12.933 1.00 0.00 H new ATOM 934 N PRO A 59 19.106 4.137 -11.779 1.00 0.00 N ATOM 935 CA PRO A 59 20.477 4.622 -11.597 1.00 0.00 C ATOM 936 C PRO A 59 21.158 4.947 -12.924 1.00 0.00 C ATOM 937 O PRO A 59 22.154 4.326 -13.292 1.00 0.00 O ATOM 938 CB PRO A 59 21.180 3.452 -10.905 1.00 0.00 C ATOM 939 CG PRO A 59 20.407 2.249 -11.320 1.00 0.00 C ATOM 940 CD PRO A 59 18.980 2.702 -11.462 1.00 0.00 C ATOM 0 HA PRO A 59 20.509 5.551 -11.027 1.00 0.00 H new ATOM 0 HB2 PRO A 59 22.223 3.378 -11.213 1.00 0.00 H new ATOM 0 HB3 PRO A 59 21.175 3.572 -9.822 1.00 0.00 H new ATOM 0 HG2 PRO A 59 20.785 1.848 -12.261 1.00 0.00 H new ATOM 0 HG3 PRO A 59 20.492 1.455 -10.578 1.00 0.00 H new ATOM 0 HD2 PRO A 59 18.463 2.160 -12.254 1.00 0.00 H new ATOM 0 HD3 PRO A 59 18.414 2.542 -10.544 1.00 0.00 H new ATOM 948 N SER A 60 20.613 5.927 -13.637 1.00 0.00 N ATOM 949 CA SER A 60 21.167 6.335 -14.923 1.00 0.00 C ATOM 950 C SER A 60 21.082 7.848 -15.096 1.00 0.00 C ATOM 951 O SER A 60 22.095 8.519 -15.294 1.00 0.00 O ATOM 952 CB SER A 60 20.428 5.636 -16.065 1.00 0.00 C ATOM 953 OG SER A 60 21.061 4.417 -16.412 1.00 0.00 O ATOM 0 H SER A 60 19.789 6.453 -13.346 1.00 0.00 H new ATOM 0 HA SER A 60 22.217 6.043 -14.948 1.00 0.00 H new ATOM 0 HB2 SER A 60 19.397 5.443 -15.770 1.00 0.00 H new ATOM 0 HB3 SER A 60 20.393 6.292 -16.935 1.00 0.00 H new ATOM 0 HG SER A 60 20.568 3.989 -17.143 1.00 0.00 H new ATOM 959 N ASN A 61 19.865 8.379 -15.020 1.00 0.00 N ATOM 960 CA ASN A 61 19.647 9.814 -15.167 1.00 0.00 C ATOM 961 C ASN A 61 19.397 10.467 -13.811 1.00 0.00 C ATOM 962 O ASN A 61 19.244 9.783 -12.801 1.00 0.00 O ATOM 963 CB ASN A 61 18.466 10.077 -16.101 1.00 0.00 C ATOM 964 CG ASN A 61 18.858 10.007 -17.564 1.00 0.00 C ATOM 965 OD1 ASN A 61 18.556 9.033 -18.254 1.00 0.00 O ATOM 966 ND2 ASN A 61 19.535 11.043 -18.046 1.00 0.00 N ATOM 0 H ASN A 61 19.016 7.838 -14.858 1.00 0.00 H new ATOM 0 HA ASN A 61 20.546 10.252 -15.600 1.00 0.00 H new ATOM 0 HB2 ASN A 61 17.681 9.348 -15.903 1.00 0.00 H new ATOM 0 HB3 ASN A 61 18.049 11.061 -15.886 1.00 0.00 H new ATOM 0 HD21 ASN A 61 19.826 11.052 -19.024 1.00 0.00 H new ATOM 0 HD22 ASN A 61 19.764 11.830 -17.439 1.00 0.00 H new ATOM 973 N LYS A 62 19.358 11.796 -13.797 1.00 0.00 N ATOM 974 CA LYS A 62 19.127 12.537 -12.563 1.00 0.00 C ATOM 975 C LYS A 62 18.273 13.777 -12.819 1.00 0.00 C ATOM 976 O LYS A 62 17.197 13.929 -12.241 1.00 0.00 O ATOM 977 CB LYS A 62 20.458 12.940 -11.922 1.00 0.00 C ATOM 978 CG LYS A 62 21.487 13.460 -12.915 1.00 0.00 C ATOM 979 CD LYS A 62 22.900 13.053 -12.520 1.00 0.00 C ATOM 980 CE LYS A 62 23.447 11.969 -13.435 1.00 0.00 C ATOM 981 NZ LYS A 62 24.932 12.011 -13.523 1.00 0.00 N ATOM 0 H LYS A 62 19.483 12.380 -14.624 1.00 0.00 H new ATOM 0 HA LYS A 62 18.587 11.884 -11.877 1.00 0.00 H new ATOM 0 HB2 LYS A 62 20.271 13.708 -11.172 1.00 0.00 H new ATOM 0 HB3 LYS A 62 20.874 12.079 -11.400 1.00 0.00 H new ATOM 0 HG2 LYS A 62 21.261 13.075 -13.909 1.00 0.00 H new ATOM 0 HG3 LYS A 62 21.423 14.547 -12.972 1.00 0.00 H new ATOM 0 HD2 LYS A 62 23.554 13.924 -12.556 1.00 0.00 H new ATOM 0 HD3 LYS A 62 22.902 12.696 -11.490 1.00 0.00 H new ATOM 0 HE2 LYS A 62 23.133 10.992 -13.068 1.00 0.00 H new ATOM 0 HE3 LYS A 62 23.021 12.087 -14.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 25.264 11.256 -14.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 25.232 12.934 -13.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 25.340 11.873 -12.576 1.00 0.00 H new ATOM 995 N LYS A 63 18.756 14.659 -13.687 1.00 0.00 N ATOM 996 CA LYS A 63 18.034 15.883 -14.015 1.00 0.00 C ATOM 997 C LYS A 63 18.517 16.462 -15.342 1.00 0.00 C ATOM 998 O LYS A 63 19.527 17.164 -15.393 1.00 0.00 O ATOM 999 CB LYS A 63 18.207 16.917 -12.901 1.00 0.00 C ATOM 1000 CG LYS A 63 19.651 17.107 -12.463 1.00 0.00 C ATOM 1001 CD LYS A 63 19.755 17.324 -10.963 1.00 0.00 C ATOM 1002 CE LYS A 63 21.101 17.917 -10.579 1.00 0.00 C ATOM 1003 NZ LYS A 63 21.018 19.389 -10.367 1.00 0.00 N ATOM 0 H LYS A 63 19.644 14.549 -14.176 1.00 0.00 H new ATOM 0 HA LYS A 63 16.977 15.636 -14.111 1.00 0.00 H new ATOM 0 HB2 LYS A 63 17.811 17.874 -13.241 1.00 0.00 H new ATOM 0 HB3 LYS A 63 17.612 16.613 -12.040 1.00 0.00 H new ATOM 0 HG2 LYS A 63 20.236 16.232 -12.746 1.00 0.00 H new ATOM 0 HG3 LYS A 63 20.081 17.961 -12.986 1.00 0.00 H new ATOM 0 HD2 LYS A 63 18.956 17.988 -10.634 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.613 16.375 -10.446 1.00 0.00 H new ATOM 0 HE2 LYS A 63 21.462 17.439 -9.669 1.00 0.00 H new ATOM 0 HE3 LYS A 63 21.829 17.703 -11.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 21.956 19.756 -10.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 20.698 19.848 -11.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 20.343 19.592 -9.603 1.00 0.00 H new ATOM 1017 N THR A 64 17.791 16.163 -16.413 1.00 0.00 N ATOM 1018 CA THR A 64 18.146 16.653 -17.739 1.00 0.00 C ATOM 1019 C THR A 64 17.530 18.025 -17.995 1.00 0.00 C ATOM 1020 O THR A 64 16.570 18.157 -18.755 1.00 0.00 O ATOM 1021 CB THR A 64 17.685 15.666 -18.812 1.00 0.00 C ATOM 1022 OG1 THR A 64 17.861 16.213 -20.106 1.00 0.00 O ATOM 1023 CG2 THR A 64 16.231 15.269 -18.675 1.00 0.00 C ATOM 0 H THR A 64 16.952 15.583 -16.389 1.00 0.00 H new ATOM 0 HA THR A 64 19.231 16.747 -17.785 1.00 0.00 H new ATOM 0 HB THR A 64 18.302 14.778 -18.672 1.00 0.00 H new ATOM 0 HG1 THR A 64 17.302 17.012 -20.202 1.00 0.00 H new ATOM 0 HG21 THR A 64 15.969 14.568 -19.467 1.00 0.00 H new ATOM 0 HG22 THR A 64 16.073 14.797 -17.705 1.00 0.00 H new ATOM 0 HG23 THR A 64 15.603 16.156 -18.754 1.00 0.00 H new ATOM 1031 N THR A 65 18.088 19.048 -17.355 1.00 0.00 N ATOM 1032 CA THR A 65 17.596 20.412 -17.513 1.00 0.00 C ATOM 1033 C THR A 65 18.700 21.334 -18.019 1.00 0.00 C ATOM 1034 O THR A 65 19.883 21.088 -17.782 1.00 0.00 O ATOM 1035 CB THR A 65 17.045 20.936 -16.185 1.00 0.00 C ATOM 1036 OG1 THR A 65 16.354 19.913 -15.491 1.00 0.00 O ATOM 1037 CG2 THR A 65 16.096 22.103 -16.350 1.00 0.00 C ATOM 0 H THR A 65 18.882 18.958 -16.721 1.00 0.00 H new ATOM 0 HA THR A 65 16.793 20.398 -18.250 1.00 0.00 H new ATOM 0 HB THR A 65 17.916 21.275 -15.624 1.00 0.00 H new ATOM 0 HG1 THR A 65 16.011 20.267 -14.644 1.00 0.00 H new ATOM 0 HG21 THR A 65 15.742 22.426 -15.371 1.00 0.00 H new ATOM 0 HG22 THR A 65 16.615 22.928 -16.838 1.00 0.00 H new ATOM 0 HG23 THR A 65 15.246 21.797 -16.960 1.00 0.00 H new ATOM 1045 N ALA A 66 18.308 22.396 -18.714 1.00 0.00 N ATOM 1046 CA ALA A 66 19.265 23.354 -19.252 1.00 0.00 C ATOM 1047 C ALA A 66 18.821 24.787 -18.979 1.00 0.00 C ATOM 1048 O ALA A 66 17.597 25.039 -18.995 1.00 0.00 O ATOM 1049 CB ALA A 66 19.450 23.132 -20.744 1.00 0.00 C ATOM 1050 OXT ALA A 66 19.700 25.645 -18.750 1.00 0.00 O ATOM 0 H ALA A 66 17.333 22.615 -18.918 1.00 0.00 H new ATOM 0 HA ALA A 66 20.220 23.197 -18.751 1.00 0.00 H new ATOM 0 HB1 ALA A 66 20.167 23.854 -21.133 1.00 0.00 H new ATOM 0 HB2 ALA A 66 19.821 22.122 -20.918 1.00 0.00 H new ATOM 0 HB3 ALA A 66 18.494 23.260 -21.252 1.00 0.00 H new TER 1056 ALA A 66